5.3.1.-,,,,,,,,,
,Family. Representative Entry is ,2PA7,,,,,,,
,,,CL:A:140,invalid,,,,,[Cl-],
,,,EDO:A:142,invalid,,,,,C(CO)O,
,,,EDO:A:143,invalid,,,,,C(CO)O,
,,,EDO:A:144,invalid,,,,,C(CO)O,
,,,EDO:A:145,invalid,,,,,C(CO)O,
,,,EDO:A:146,invalid,,,,,C(CO)O,
,,,EDO:A:147,invalid,,,,,C(CO)O,
,,,EDO:B:141,invalid,,,,,C(CO)O,
,,,EDO:B:142,invalid,,,,,C(CO)O,
,,,EDO:B:143,invalid,,,,,C(CO)O,
,,,EDO:B:144,invalid,,,,,C(CO)O,
,,,TYD:A:141,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,2PAM,,,,,,,
,,,TYD:A:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,2PAK,,,,,,,
,,,TYD:A:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,2PAE,,,,,,,
,,,TYD:A:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:140,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2HK1,,,,,,,
,,,FUD:A:1300,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:B:1301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:C:1302,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:D:1303,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,MN:A:1004,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:C:1003,Part of Protein,,,,,[Mn+2],
,,,MN:D:1001,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4Q0P,,,,,,,
,,,Z6J:A:504,invalid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,Z6J:A:503,invalid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NCO:A:506,invalid,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,0MK:A:502,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:A:505,invalid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,4Q0Q,,,,,,,
,,,QDK:A:504,invalid,,,,,C([C@@H]([C@@H](C(=O)CO)O)O)O,
,,,RUU:A:502,valid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:503,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:505,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:509,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:508,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:506,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:507,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,NCO:A:510,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,4Q0V,,,,,,,
,,,QDK:A:504,invalid,,,,,C([C@@H]([C@@H](C(=O)CO)O)O)O,
,,,QDK:A:502,valid,,,,,C([C@@H]([C@@H](C(=O)CO)O)O)O,
,,,RUU:A:503,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:505,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:508,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:506,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,RUU:A:507,invalid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,,NCO:A:509,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,4Q0S,,,,,,,
,,,RB0:A:503,invalid,,,,,C([C@H](C([C@H](CO)O)O)O)O,
,,,RB0:A:502,valid,,,,,C([C@H](C([C@H](CO)O)O)O)O,
,,,NCO:A:504,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,4Q0U,,,,,,,
,,,ROR:A:502,valid,,,,,C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O,
,,,Z6J:A:504,invalid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,Z6J:A:503,invalid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,Z6J:A:506,invalid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,0MK:A:505,invalid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,NCO:A:507,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,Family. Representative Entry is ,2QUN,,,,,,,
,,,FUD:A:291,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:B:291,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:C:291,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:D:291,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,MN:A:292,Part of Protein,,,,,[Mn+2],
,,,MN:B:292,Part of Protein,,,,,[Mn+2],
,,,MN:C:292,Part of Protein,,,,,[Mn+2],
,,,MN:D:292,Part of Protein,,,,,[Mn+2],
,,2QUM,,,,,,,
,,,MN:A:292,Part of Protein,,,,,[Mn+2],
,,,MN:B:292,Part of Protein,,,,,[Mn+2],
,,,MN:C:292,Part of Protein,,,,,[Mn+2],
,,,MN:D:292,Part of Protein,,,,,[Mn+2],
,,,TAG:A:291,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:B:291,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:C:291,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:D:291,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
3.4.19.13,,,,,,,,,
,Family. Representative Entry is ,4GDX,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:B:1103,invalid,,,,,[Cl-],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,GLU:B:1102,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6XPC,,,,,,,
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:B:1102,invalid,,,,,[Cl-],
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GSH:B:1103,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4GG2,,,,,,,
,,,IOD:B:604,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:B:606,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:B:603,invalid,,,,,[I-],
,,,IOD:B:605,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,GLU:B:602,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,CL:B:607,invalid,,,,,[Cl-],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4ZCG,,,,,,,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,NA:A:608,Part of Protein,,,,,[Na+],
,,,GLU:B:1102,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
4.1.1.43,,,,,,,,,
,Family. Representative Entry is ,2NXW,,,,,,,
,,,CL:A:4003,invalid,,,,,[Cl-],
,,,CL:B:4004,invalid,,,,,[Cl-],
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3003,invalid,,,,,C(C(CO)O)O,
,,,MG:A:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4001,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2Q5Q,,,,,,,
,,,GOL:A:5006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5005,invalid,,,,,C(C(CO)O)O,
,,,KPV:A:5001,valid,,,,,c1ccc(cc1)CCCC(=O)C(=O)O,
,,,KPV:A:5004,valid,,,,,c1ccc(cc1)CCCC(=O)C(=O)O,
,,,KPV:B:5002,valid,,,,,c1ccc(cc1)CCCC(=O)C(=O)O,
,,,KPV:B:5003,valid,,,,,c1ccc(cc1)CCCC(=O)C(=O)O,
,,,MG:A:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4001,Part of Protein,,,,,[Mg+2],
,,,TLA:A:5007,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TPW:A:2002,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:B:2001,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,2Q5O,,,,,,,
,,,GOL:B:5005,invalid,,,,,C(C(CO)O)O,
,,,MG:A:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4001,Part of Protein,,,,,[Mg+2],
,,,PPY:A:5001,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:A:5003,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:5002,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:5004,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,TPW:A:2002,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:B:2001,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,2Q5L,,,,,,,
,,,CL:A:3004,invalid,,,,,[Cl-],
,,,CL:B:3003,invalid,,,,,[Cl-],
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4000,invalid,,,,,C(C(CO)O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,R1T:A:2004,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,R1T:B:2003,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,S1T:A:2002,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,S1T:B:2001,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
4.1.1.85,,,,,,,,,
,Family. Representative Entry is ,3EXS,,,,,,,
,,,5RP:A:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:D:502,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
2.7.1.50,,,,,,,,,
,Family. Representative Entry is ,5CGE,,,,,,,
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,51F:E:301,valid,,,,,Cc1nccn1CCO,
,,,51F:D:301,valid,,,,,Cc1nccn1CCO,
,,,51F:B:301,valid,,,,,Cc1nccn1CCO,
,,,51F:A:301,valid,,,,,Cc1nccn1CCO,
,,,51F:D:302,valid,,,,,Cc1nccn1CCO,
,,,51F:C:301,valid,,,,,Cc1nccn1CCO,
,,5CGA,,,,,,,
,,,KP6:B:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,KP6:C:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,KP6:A:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,KP6:F:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,KP6:E:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,KP6:H:301,valid,,,,,Cc1c(c(n(n1)C)C)CCO,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,5COJ,,,,,,,
,,,TZE:C:301,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:A:301,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:A:302,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:E:301,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:F:301,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:H:301,valid,,,,,Cc1c(scn1)CCO,
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1C3Q,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,TZE:A:301,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:A:302,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:B:303,valid,,,,,Cc1c(scn1)CCO,
,,1ESQ,,,,,,,
,,,ATP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:345,invalid,,,,,[Mg+2],
,,,MG:B:360,invalid,,,,,[Mg+2],
,,,MG:C:355,invalid,,,,,[Mg+2],
,,,MG:C:350,invalid,,,,,[Mg+2],
,,,MG:A:340,invalid,,,,,[Mg+2],
,,,MG:A:365,invalid,,,,,[Mg+2],
,,,SO4:B:370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TZP:A:320,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,,TZP:B:325,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,,TZP:C:330,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,1EKK,,,,,,,
,,,SO2:A:301,invalid,,,,,O=S=O,
,,,SO2:B:302,invalid,,,,,O=S=O,
,,,TZE:A:273,valid,,,,,Cc1c(scn1)CCO,
,,,TZE:B:273,valid,,,,,Cc1c(scn1)CCO,
2.7.6.5,,,,,,,,,
,Family. Representative Entry is ,6EWZ,,,,,,,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,FE:A:304,Part of Protein,,,,,[Fe+3],
,,,APC:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
4.2.2.10,,,,,,,,,
,Family. Representative Entry is ,3NJV,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GTR RAM GTR RAM GTR RAM:B:1,valid,,,,,O=C([O-])C1C(OC2C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C)O4)C(C(=O)[O-])O3)C(O)C(O)C(C)O2)C(O)C(O)C(OC2C(O)C(O)C(C)OC2OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
1.14.14.9,,,,,,,,,
,Family. Representative Entry is ,6QYI,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:B:606,invalid,,,,,C(COCCO)O,
,,,PEG:B:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:B:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,PEG:B:609,invalid,,,,,C(COCCO)O,
,,,PEG:A:611,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:B:607,invalid,,,,,C(COCCO)O,
,,,PGE:B:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:605,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,EPE:B:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6B1B,,,,,,,
,,,TMO:B:2001,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:2003,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:2002,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:603,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:604,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:602,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:2004,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:601,valid,,,,,C[N+](C)(C)[O-],
5.3.1.26,,,,,,,,,
,Family. Representative Entry is ,4LFL,,,,,,,
,,,TG6:B:201,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,TG6:D:201,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,4LFM,,,,,,,
,,,PSJ:B:201,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:D:201,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,4LFN,,,,,,,
,,,RBL:B:201,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)O,
,,,RBL:D:201,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)O,
4.1.3.18,,,,,,,,,
,Family. Representative Entry is ,4RJK,,,,,,,
,,,PG4:D:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:609,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:609,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PYR:F:609,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:610,valid,,,,,CC(=O)C(=O)O,
,,,PYR:G:607,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:605,valid,,,,,CC(=O)C(=O)O,
,,,PYR:G:608,valid,,,,,CC(=O)C(=O)O,
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:E:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:F:602,Part of Protein,,,,,[Mg+2],
,,,MG:G:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,TDL:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,4RJJ,,,,,,,
,,,PG4:D:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:H:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:E:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:F:602,Part of Protein,,,,,[Mg+2],
,,,MG:G:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,ACT:D:608,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1OZH,,,,,,,
,,,HE3:A:1406,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,HE3:B:1413,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,HE3:C:1423,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,HE3:D:1433,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,MG:A:1405,Part of Protein,,,,,[Mg+2],
,,,MG:B:1412,Part of Protein,,,,,[Mg+2],
,,,MG:C:1422,Part of Protein,,,,,[Mg+2],
,,,MG:D:1432,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1401,invalid,,,,,C(COCCO)O,
,,,PEG:B:1400,invalid,,,,,C(COCCO)O,
,,,PEG:B:1410,invalid,,,,,C(COCCO)O,
,,,PEG:C:1420,invalid,,,,,C(COCCO)O,
,,,PEG:D:1430,invalid,,,,,C(COCCO)O,
,,,PGE:A:1402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1403,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:1404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1421,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1431,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OZF,,,,,,,
,,,MG:A:699,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,PEG:A:690,invalid,,,,,C(COCCO)O,
,,,PEG:A:691,invalid,,,,,C(COCCO)O,
,,,PEG:A:692,invalid,,,,,C(COCCO)O,
,,,PEG:A:693,invalid,,,,,C(COCCO)O,
,,,PEG:A:694,invalid,,,,,C(COCCO)O,
,,,PEG:A:695,invalid,,,,,C(COCCO)O,
,,,PEG:A:696,invalid,,,,,C(COCCO)O,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,PEG:B:702,invalid,,,,,C(COCCO)O,
,,,PO4:A:697,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TPP:A:700,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:705,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1OZG,,,,,,,
,,,HE3:A:700,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,HE3:B:705,valid,,,,,Cc1ncc2c(n1)N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C)[C@H](C)O,
,,,MG:A:699,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,PEG:A:691,invalid,,,,,C(COCCO)O,
,,,PEG:A:692,invalid,,,,,C(COCCO)O,
,,,PEG:A:693,invalid,,,,,C(COCCO)O,
,,,PEG:A:694,invalid,,,,,C(COCCO)O,
,,,PEG:A:695,invalid,,,,,C(COCCO)O,
,,,PEG:A:696,invalid,,,,,C(COCCO)O,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,PEG:B:702,invalid,,,,,C(COCCO)O,
,,,PO4:A:697,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.22.61,,,,,,,,,
,Family. Representative Entry is ,3KJQ,,,,,,,
,,,B94:A:480,Part of Protein,Ki,=,1.32,uM,CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl,
,,,B94:A:481,valid,Ki,=,1.32,uM,CC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1C=C[C@H](N2N1C(=O)N(C2=O)CCCC(=O)O)CCNC(=O)Cc3ccc(cc3)Cl,
,Family. Representative Entry is ,3H11,,,,,,,
,,,ALA ILE GLU THR ASA:C:700,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)CCC(=O)[O-])C(O)C,
4.1.1.31,,,,,,,,,
,Family. Representative Entry is ,1JQN,,,,,,,
,,,DCO:A:901,valid,,,,,C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O,
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3ZGE,,,,,,,
,,,ASP:A:1967,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:1967,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,SO4:A:1968,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1968,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1969,invalid,,,,,C(CO)O,
,,,EDO:B:1969,invalid,,,,,C(CO)O,
4.4.1.1,,,,,,,,,
,Family. Representative Entry is ,4IYO,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,0JO:A:404,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,NAK:B:402,valid,,,,,CC(=[NH2+])C(=O)[O-],
,,,NAK:C:402,valid,,,,,CC(=[NH2+])C(=O)[O-],
,,,PYR:B:403,invalid,,,,,CC(=O)C(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6NBA,,,,,,,
,,,P1T:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,Family. Representative Entry is ,4IY7,,,,,,,
,,,PYR:D:402,invalid,,,,,CC(=O)C(=O)O,
,,,PYR:B:402,invalid,,,,,CC(=O)C(=O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,KOU:B:403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O,
,,,KOU:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O,
,,,KOU:D:403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O,
,,,0JO:A:405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5TSU,,,,,,,
,,,CYS:G:501,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:H:501,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:F:501,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,LPI:E:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O,
,,,LPI:C:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCSC)C(=O)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET:A:501,invalid,,,,,CSCC[C@@H](C(=O)O)N,
3.4.22.15,,,,,,,,,
,Family. Representative Entry is ,3H8C,,,,,,,
,,,NSZ:A:300,valid,Ki,=,0.019,uM,[H]/N=C(/N)NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4,
,,,NSZ:B:400,valid,Ki,=,0.019,uM,[H]/N=C(/N)NCCCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4,
,,3K24,,,,,,,
,,,GLN LEU ALA:C:109,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CC(C)C)C([NH3+])CCC(=O)N,
,,,GLN LEU ALA:D:109,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CC(C)C)C([NH3+])CCC(=O)N,
,,,NAG:A:221,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NDG MAN MAN BMA NDG:E:1,Part of Protein,,,,,,
,,3H89,,,,,,,
,,,NSX:A:400,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSX:B:300,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSX:C:500,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSX:D:600,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSX:E:700,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSX:F:800,valid,Ki,=,0.023,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,6F06,,,,,,,
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:309,Part of Protein,,,,,[Zn+2],
,,,C7T:A:301,valid,,,,,c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl,
,,,C7T:B:301,valid,,,,,c1cc2c(cc1C[C@H](NC(=O)c3cc(ccc3OC/C=C/CO2)C4CNC4)C(=O)NC5(CC5)C#N)Cl,
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,3BC3,,,,,,,
,,,OPT:A:300,valid,Ki,=,0.155,uM,c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5,
,,,OPT:B:400,valid,Ki,=,0.155,uM,c1ccc(cc1)CCNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CCCNC(N)N)NC(=O)[C@H](CSCc3ccccc3)NC(=O)Cc4ccc(cc4)c5ccccc5,
,,3H8B,,,,,,,
,,,NSY:A:300,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSY:B:400,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSY:C:500,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSY:D:600,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSY:E:700,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,,,NSY:F:800,valid,Ki,=,0.511,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccccc6,
,Family. Representative Entry is ,1MHW,,,,,,,
,,,BP4 CYS DAR TYR PEA:E:41,valid,Ki,=,45,nM,SCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1ccc(O)cc1)CCCNC(=[NH2+])N,
,,,BP4 CYS DAR TYR PEA:F:41,valid,Ki,=,45,nM,SCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1ccc(O)cc1)CCCNC(=[NH2+])N,
,,,BP4 CYS DAR TYR PEA:G:41,valid,Ki,=,45,nM,SCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1ccc(O)cc1)CCCNC(=[NH2+])N,
,,,BP4 CYS DAR TYR PEA:H:41,valid,Ki,=,45,nM,SCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1ccc(O)cc1)CCCNC(=[NH2+])N,
1.14.13.142,,,,,,,,,
,Family. Representative Entry is ,4QCK,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,ASD:A:404,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,FES:A:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
3.4.21.105,,,,,,,,,
,Family. Representative Entry is ,5F5K,,,,,,,
,,,ACE ARG LYS VAL ARG MET 5XU:B:500,valid,ic50,=,2.9,uM,S(CCC(NC(=O)C(NC(=O)C(N)C(C)C)CCCNC(=[NH2+])N)C(=O)NC(C=O)C)C,
,,6PJ4,,,,,,,
,,,VAL ARG MET:B:497,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])C(C)C)CCCNC(=[NH2+])N)C=O)C,
2.8.2.4,,,,,,,,,
,Family. Representative Entry is ,1G3M,,,,,,,
,,,A3P:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,PCQ:A:712,valid,ic50,~,0.15,nM,c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,,PCQ:B:711,valid,ic50,~,0.15,nM,c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,4JVM,,,,,,,
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,A3P:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,XDI:B:301,valid,ic50,=,33,nM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,,XDI:A:501,valid,ic50,=,33,nM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,1HY3,,,,,,,
,,,PPS:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,,PPS:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,4JVL,,,,,,,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,A3P:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EST:B:302,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:702,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,4JVN,,,,,,,
,,,A3P:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,YUG:B:301,valid,ic50,=,23,nM,c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br,
,,,YUG:A:501,valid,ic50,=,23,nM,c1cc(c(cc1Br)Br)Oc2ccc(c(c2Br)O)Br,
,Family. Representative Entry is ,1AQU,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EST:A:304,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:303,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,1AQY,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,1BO6,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,VO4:A:302,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,VO4:B:304,invalid,,,,,[O-][V](=O)([O-])[O-],
3.7.1.2,,,,,,,,,
,Family. Representative Entry is ,2HZY,,,,,,,
,,,CA:A:1206,Part of Protein,,,,,[Ca+2],
,,,DHJ:A:1102,valid,Ki,=,41,nM,C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O,
,,,DHJ:B:1101,valid,Ki,=,41,nM,C(C[P@](=O)(CC(=O)CC(=O)O)O)C(=O)O,
,,,MN:A:1203,Part of Protein,,,,,[Mn+2],
,,,MN:B:1204,Part of Protein,,,,,[Mn+2],
,,,NA:A:1201,Part of Protein,,,,,[Na+],
,,,NA:B:1202,Part of Protein,,,,,[Na+],
,,,NI:A:1209,Part of Protein,,,,,[Ni+2],
,,,NI:A:1211,Part of Protein,,,,,[Ni+2],
,,,NI:A:1212,Part of Protein,,,,,[Ni+2],
,,,NI:A:1213,Part of Protein,,,,,[Ni+2],
,,,NI:A:1214,Part of Protein,,,,,[Ni+2],
,,,NI:B:1205,Part of Protein,,,,,[Ni+2],
,,,NI:B:1207,Part of Protein,,,,,[Ni+2],
,,,NI:B:1208,Part of Protein,,,,,[Ni+2],
,,,NI:B:1210,Part of Protein,,,,,[Ni+2],
,,,NI:B:1215,Part of Protein,,,,,[Ni+2],
,,1QCO,,,,,,,
,,,AAE:A:1010,valid,,,,,CC(=O)CC(=O)O,
,,,AAE:B:1011,valid,,,,,CC(=O)CC(=O)O,
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,FUM:A:1008,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1009,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,NI:A:1006,Part of Protein,,,,,[Ni+2],
,,,NI:B:1003,Part of Protein,,,,,[Ni+2],
,,,NI:B:1004,Part of Protein,,,,,[Ni+2],
,,,NI:B:1005,Part of Protein,,,,,[Ni+2],
,,,NI:B:1007,Part of Protein,,,,,[Ni+2],
,,1HYO,,,,,,,
,,,ACT:A:1009,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1010,invalid,,,,,CC(=O)[O-],
,,,CA:A:1006,Part of Protein,,,,,[Ca+2],
,,,CA:B:1007,Part of Protein,,,,,[Ca+2],
,,,HBU:A:1012,valid,Ki,=,84.8,uM,C[P@](=O)(CC(=O)CC(=O)O)O,
,,,HBU:B:1011,valid,Ki,=,84.8,uM,C[P@](=O)(CC(=O)CC(=O)O)O,
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,,NI:B:1008,Part of Protein,,,,,[Ni+2],
4.2.1.11,,,,,,,,,
,Family. Representative Entry is ,4ZCW,,,,,,,
,,,4NG:B:501,valid,ic50,=,42.5,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:A:501,valid,ic50,=,42.5,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,3UJF,,,,,,,
,,,2PG:A:503,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,PEP:B:503,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,4ZA0,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,PAH:B:503,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,PAH:A:503,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,3UCD,,,,,,,
,,,2PG:A:601,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:599,Part of Protein,,,,,[Mg+2],
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:B:599,Part of Protein,,,,,[Mg+2],
,,,MG:B:600,Part of Protein,,,,,[Mg+2],
,,,PEP:B:601,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,3UCC,,,,,,,
,,,2PG:A:601,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:601,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:599,Part of Protein,,,,,[Mg+2],
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:B:599,Part of Protein,,,,,[Mg+2],
,,,MG:B:600,Part of Protein,,,,,[Mg+2],
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3UJE,,,,,,,
,,,2PG:A:503,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,PEP:B:503,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3UJS,,,,,,,
,,,0V5:B:602,valid,Ki,=,0.4,mM,C[C@H](C(=O)O)OP(=O)(O)O,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:600,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,TRS:A:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,XSP:A:602,valid,Ki,=,0.004,mM,C(=O)[C@H](C(=O)O)OP(=O)(O)O,
,,3UJR,,,,,,,
,,,2PG:A:503,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,PEP:B:503,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,2AL2,,,,,,,
,,,2PG:A:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,CL:B:950,invalid,,,,,[Cl-],
,,,K:B:960,Part of Protein,,,,,[K+],
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:438,Part of Protein,,,,,[Mg+2],
,,,MG:B:439,Part of Protein,,,,,[Mg+2],
,,,PEP:A:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6D3Q,,,,,,,
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,SO4:F:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,4NG:C:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:F:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:E:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:D:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:A:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,,,4NG:B:501,valid,Ki,=,3.4,nM,C1[C@@H](C(=O)N([C@H]1O)O)P(=O)(O)O,
,Family. Representative Entry is ,1EBG,,,,,,,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:438,Part of Protein,,,,,[Mg+2],
,,,MG:B:439,Part of Protein,,,,,[Mg+2],
,,,PAH:A:440,valid,Ki,=,15,pM,C(C(=O)NO)P(=O)(O)O,
,,,PAH:B:440,valid,Ki,=,15,pM,C(C(=O)NO)P(=O)(O)O,
,,5ENL,,,,,,,
,,,2PG:A:442,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,CA:A:438,Part of Protein,,,,,[Ca+2],
,,2AL1,,,,,,,
,,,2PG:A:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,CL:B:950,invalid,,,,,[Cl-],
,,,K:B:960,Part of Protein,,,,,[K+],
,,,K:B:961,Part of Protein,,,,,[K+],
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:438,Part of Protein,,,,,[Mg+2],
,,,MG:B:439,Part of Protein,,,,,[Mg+2],
,,,PEP:A:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1ONE,,,,,,,
,,,2PG:A:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:438,Part of Protein,,,,,[Mg+2],
,,,MG:B:439,Part of Protein,,,,,[Mg+2],
,,,PEP:A:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,2XH2,,,,,,,
,,,2PG:A:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:C:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:D:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,MG:C:1439,Part of Protein,,,,,[Mg+2],
,,,MG:D:1439,Part of Protein,,,,,[Mg+2],
,,2XH4,,,,,,,
,,,2PG:A:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:C:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:D:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1441,Part of Protein,,,,,[Mg+2],
,,,MG:B:1442,Part of Protein,,,,,[Mg+2],
,,,MG:C:1439,Part of Protein,,,,,[Mg+2],
,,,MG:D:1439,Part of Protein,,,,,[Mg+2],
,,,MG:D:1441,Part of Protein,,,,,[Mg+2],
,,1L8P,,,,,,,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:938,Part of Protein,,,,,[Mg+2],
,,,MG:B:939,Part of Protein,,,,,[Mg+2],
,,,MG:C:1438,Part of Protein,,,,,[Mg+2],
,,,MG:C:1439,Part of Protein,,,,,[Mg+2],
,,,MG:D:1938,Part of Protein,,,,,[Mg+2],
,,,MG:D:1939,Part of Protein,,,,,[Mg+2],
,,,PAH:A:440,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,PAH:B:940,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,PAH:C:1440,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,PAH:D:1940,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,1ELS,,,,,,,
,,,MN:A:438,Part of Protein,,,,,[Mn+2],
,,,MN:A:440,Part of Protein,,,,,[Mn+2],
,,,PAH:A:439,valid,Ki,=,15,pM,C(C(=O)NO)P(=O)(O)O,
,,6ENL,,,,,,,
,,,PGA:A:442,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,ZN:A:438,Part of Protein,,,,,[Zn+2],
,,1P48,,,,,,,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:938,Part of Protein,,,,,[Mg+2],
,,,MG:B:939,Part of Protein,,,,,[Mg+2],
,,,PEP:A:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:940,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,2ONE,,,,,,,
,,,2PG:A:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,LI:A:451,Part of Protein,,,,,[Li+],
,,,MG:A:450,Part of Protein,,,,,[Mg+2],
,,,MG:B:460,Part of Protein,,,,,[Mg+2],
,,,PEP:B:440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,2XH7,,,,,,,
,,,2PG:A:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:1440,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:A:1441,Part of Protein,,,,,[Mg+2],
,,,MG:A:1442,Part of Protein,,,,,[Mg+2],
,,,MG:A:1443,Part of Protein,,,,,[Mg+2],
,,,MG:A:1444,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1441,Part of Protein,,,,,[Mg+2],
,,,MG:B:1442,Part of Protein,,,,,[Mg+2],
,,,MG:B:1443,Part of Protein,,,,,[Mg+2],
,,,MG:B:1444,Part of Protein,,,,,[Mg+2],
,,2XH0,,,,,,,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,MG:C:1439,Part of Protein,,,,,[Mg+2],
,,,MG:D:1439,Part of Protein,,,,,[Mg+2],
,,,PEP:A:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,2XGZ,,,,,,,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:A:1441,Part of Protein,,,,,[Mg+2],
,,,MG:A:1442,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1441,Part of Protein,,,,,[Mg+2],
,,,PEP:A:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1440,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,7ENL,,,,,,,
,,,2PG:A:439,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,1P43,,,,,,,
,,,2PG:A:441,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:941,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:438,Part of Protein,,,,,[Mg+2],
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:938,Part of Protein,,,,,[Mg+2],
,,,MG:B:939,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4A3R,,,,,,,
,,,CIT:D:1429,valid,Ki,=,5,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NA:D:1430,Part of Protein,,,,,[Na+],
,,,NA:D:1431,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5BOE,,,,,,,
,,,PEP:B:501,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:501,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3QTP,,,,,,,
,,,2PG:A:437,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:437,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:441,Part of Protein,,,,,[Mg+2],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2PTZ,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,PAH:A:600,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:550,Part of Protein,,,,,[Zn+2],
,,2PU1,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,FSG:A:600,valid,,,,,[C@H](C(=O)NO)(F)P(=O)(O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:550,Part of Protein,,,,,[Zn+2],
,,2PTY,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,PEP:A:600,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,2PU0,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,PAH:A:600,valid,,,,,C(C(=O)NO)P(=O)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1PDZ,,,,,,,
,,,MN:A:440,Part of Protein,,,,,[Mn+2],
,,,PGA:A:439,valid,Ki,=,0.2,mM,C(C(=O)O)OP(=O)(O)O,
3.5.3.19,,,,,,,,,
,Family. Representative Entry is ,1YQC,,,,,,,
,,,GLV:A:1001,valid,,,,,C(=O)C(=O)O,
,Family. Representative Entry is ,4PXE,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,GLV:A:503,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:503,valid,,,,,C(=O)C(=O)O,
,,4PXC,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,HGY:A:503,valid,,,,,[C@H](C(=O)O)(N)O,
,,,HGY:B:503,valid,,,,,[C@H](C(=O)O)(N)O,
,,4PXB,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,UGC:A:503,valid,,,,,[C@H](C(=O)O)(NC(=O)N)O,
,,,UGC:B:503,valid,,,,,[C@H](C(=O)O)(NC(=O)N)O,
2.7.1.11,,,,,,,,,
,Family. Representative Entry is ,5XZ8,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,ANP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XZ9,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5XZA,,,,,,,
,,,FLC:A:402,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5XZ7,,,,,,,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,F6P:A:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3CQD,,,,,,,
,,,ATP:A:313,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:314,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:311,invalid,,,,,[Mg+2],
,,,MG:A:312,invalid,,,,,[Mg+2],
,,,MG:A:310,invalid,,,,,[Mg+2],
,,,MG:B:310,invalid,,,,,[Mg+2],
,,3N1C,,,,,,,
,,,F6P:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:C:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:D:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4I7E,,,,,,,
,,,PEP:C:401,valid,Kd,=,0.45,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:401,valid,Kd,=,0.45,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:401,valid,Kd,=,0.45,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:401,valid,Kd,=,0.45,uM,C=C(C(=O)O)OP(=O)(O)O,
,,4I4I,,,,,,,
,,,PEP:C:401,valid,Kd,=,2.1,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:401,valid,Kd,=,2.1,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:401,valid,Kd,=,2.1,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:401,valid,Kd,=,2.1,uM,C=C(C(=O)O)OP(=O)(O)O,
,,4PFK,,,,,,,
,,,ADP:A:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:326,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,F6P:A:323,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:325,Part of Protein,,,,,[Mg+2],
,,,MG:A:327,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1PFK,,,,,,,
,,,ADP:A:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:326,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:326,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FBP:A:323,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:323,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:325,Part of Protein,,,,,[Mg+2],
,,,MG:A:327,Part of Protein,,,,,[Mg+2],
,,,MG:B:325,Part of Protein,,,,,[Mg+2],
,,,MG:B:327,Part of Protein,,,,,[Mg+2],
2.3.1.191,,,,,,,,,
,Family. Representative Entry is ,6P83,,,,,,,
,,,O3Y:A:403,valid,Kd,=,0.08,uM,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C,
,,,O3Y:B:501,valid,Kd,=,0.08,uM,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C,
,,,O3Y:C:501,valid,Kd,=,0.08,uM,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5ccccc5Cl)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,6P85,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O4V:A:403,valid,,,,,CCOc1ccccc1n2c(c(nn2)S(=O)(=O)c3ccc(cc3)C)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,6P87,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,O4P:A:403,valid,,,,,CN([C@@H](c1cccs1)c2c[nH]c3c2cccc3)C(=O)COc4ccccc4OC,
,,6P89,,,,,,,
,,,O4A:A:403,valid,,,,,Cc1ccc2c(c1)-c3c(cnn3CC(=O)Nc4ccc5c(c4)OCCO5)CO2,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,6P8A,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,O4D:A:403,valid,,,,,Cc1cc(nc2c1c(nn2CC(=O)NCCCN3CCOCC3)n4cccc4)C,
,,6P88,,,,,,,
,,,O4G:A:403,valid,,,,,c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,6P84,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:A:403,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,6P86,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,O4S:A:403,valid,,,,,CCc1ccc(cc1)CNC(=O)CN2c3cc(ccc3N4CCCC[C@@H]4C2=O)C(=O)N5CCCC5,
,Family. Representative Entry is ,6P8B,,,,,,,
,,,O3V:C:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,O3V:B:501,valid,,,,,CC1(Cc2c(c(c3c(n2)nn(c3O)c4ccccc4)c5cccs5)C(=O)C1)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
4.4.1.11,,,,,,,,,
,Family. Representative Entry is ,5X2Z,,,,,,,
,,,3LM:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O,
,,,3LM:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O,
,,,3LM:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O,
,,,3LM:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CSC)/C(=O)O)O,
,,3VK3,,,,,,,
,,,MET:A:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:C:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:D:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,5X2X,,,,,,,
,,,H2S:C:402,invalid,,,,,S,
,,,H2S:A:402,invalid,,,,,S,
,,,H2S:D:402,invalid,,,,,S,
,,,H2S:B:402,invalid,,,,,S,
,,,4LM:A:401,valid,,,,,C/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,4LM:D:401,valid,,,,,C/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,4LM:C:401,valid,,,,,C/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,4LM:B:401,valid,,,,,C/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,Family. Representative Entry is ,1E5F,,,,,,,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5X30,,,,,,,
,,,HCS:A:501,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:C:501,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,7XF:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCS)C(=O)O)O,
,,,4LM:B:401,valid,,,,,C/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,H2S:B:402,invalid,,,,,S,
,Family. Representative Entry is ,5M3Z,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,PY6:A:404,valid,,,,,CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,NLE:A:402,valid,Ki,=,0.6,mM,CCCC[C@@H](C(=O)O)N,
,,4HF8,,,,,,,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,GLY:A:402,invalid,,,,,C(C(=O)O)N,
,,,PLG:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,3MKJ,,,,,,,
,,,PZP:A:399,valid,,,,,[H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,4OMA,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,LCS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
2.1.1.45,,,,,,,,,
,Family. Representative Entry is ,6QXG,,,,,,,
,,,UFP:C:401,valid,Ki,=,1.1,nM,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:A:401,valid,Ki,=,1.1,nM,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:B:401,valid,Ki,=,1.1,nM,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4E28,,,,,,,
,,,0MZ:A:403,valid,Ki,=,1.3,uM,c1ccc(c(c1)/C=N/N=C2/N=C([C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O)O,
,,,9MZ:A:404,valid,,,,,c1ccc(c(c1)/C=N/NC2=NC(=O)[C@@H](S2)CC(=O)Nc3cccc(c3)C(F)(F)F)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QXH,,,,,,,
,,,UMP:C:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JTU,,,,,,,
,,,LYB:A:501,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,LYB:B:502,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,UMP:A:565,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:565,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2G86,,,,,,,
,,,UMP:A:317,valid,Kd,=,0.44,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1LCA,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1VZC,,,,,,,
,,,UFP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,1LCB,,,,,,,
,,,DHF:A:318,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,TMP:A:317,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1BO7,,,,,,,
,,,U:A:317,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2G8A,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1JMI,,,,,,,
,,,UMP:A:317,valid,Kd,=,0.87,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1VZE,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:317,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1BO8,,,,,,,
,,,K:A:317,Part of Protein,,,,,[K+],
,,,U:A:318,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1BPJ,,,,,,,
,,,K:A:317,Part of Protein,,,,,[K+],
,,,UMP:A:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1VZA,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1NJE,,,,,,,
,,,DCM:A:317,valid,Kd,=,160,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,1JMH,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TSL,,,,,,,
,,,A15:A:318,valid,Ki,=,0.7,uM,c1cc2cccc3c2c(c1)C(=O)OC3(c4ccc(c(c4)Cl)O)c5ccc(c(c5)Cl)O,
,,,PO4:A:317,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1VZD,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UFP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,1NJD,,,,,,,
,,,UMP:A:317,valid,Kd,=,2.7,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1BP6,,,,,,,
,,,K:A:317,Part of Protein,,,,,[K+],
,,,UMP:A:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TVV,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TVU,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1NJC,,,,,,,
,,,DCM:A:317,valid,Kd,=,2.8,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,1LCE,,,,,,,
,,,TMF:A:318,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TSY,,,,,,,
,,,UMP:A:317,valid,Kd,=,11,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1BP0,,,,,,,
,,,K:A:318,Part of Protein,,,,,[K+],
,,,UMP:A:317,valid,Kd,=,4,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1NJA,,,,,,,
,,,DCM:A:317,valid,Kd,=,0.49,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,1VZB,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2G89,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TSX,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1JMF,,,,,,,
,,,UMP:A:317,valid,Kd,=,1.7,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1JMG,,,,,,,
,,,UMP:A:317,valid,Kd,=,0.85,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1TVW,,,,,,,
,,,CB3:A:318,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2G8D,,,,,,,
,,,UMP:A:317,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2KCE,,,,,,,
,,,D16:A:566,valid,Ki,=,0.67,uM,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:568,valid,Ki,=,0.67,uM,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:565,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:567,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1BJG,,,,,,,
,,,TMF:A:267,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N,
,,,UFP:A:266,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,2VET,,,,,,,
,,,FMT:A:1265,invalid,,,,,C(=O)O,
,,,UMP:A:1266,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2FTO,,,,,,,
,,,CB3:X:266,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PO4:X:267,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TMP:X:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1TYS,,,,,,,
,,,DHF:A:566,valid,Kd,=,3.27,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,TMP:A:565,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2BBQ,,,,,,,
,,,PFG:A:531,valid,,,,,C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PFG:B:532,valid,,,,,C#CC[N@](Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,UMP:A:529,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:530,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1BID,,,,,,,
,,,UMP:A:603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4LRR,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CF9:A:309,valid,Ki,=,6,uM,c1cc2c(ccc3c2c(c1)C(=O)O3)OC(=O)c4ccc(cc4)[N+](=O)[O-],
,,,UMP:A:310,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1AOB,,,,,,,
,,,DDU:A:301,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1F4E,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPR:A:301,valid,Ki,=,1.1,mM,Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O,
,,,TPR:A:302,valid,Ki,=,1.1,mM,Cc1ccc(cc1)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O,
,,1BDU,,,,,,,
,,,DUR:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1TRG,,,,,,,
,,,CB3:A:566,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:565,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2TSC,,,,,,,
,,,CB3:A:266,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:266,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:265,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:265,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,3NRR,,,,,,,
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,D16:A:520,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:A:530,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:520,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:530,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:531,invalid,,,,,C(CO)O,
,,,EDO:A:532,invalid,,,,,C(CO)O,
,,,EDO:A:533,invalid,,,,,C(CO)O,
,,,EDO:A:534,invalid,,,,,C(CO)O,
,,,EDO:A:535,invalid,,,,,C(CO)O,
,,,EDO:A:536,invalid,,,,,C(CO)O,
,,,EDO:A:537,invalid,,,,,C(CO)O,
,,,EDO:B:532,invalid,,,,,C(CO)O,
,,,EDO:B:533,invalid,,,,,C(CO)O,
,,,EDO:B:534,invalid,,,,,C(CO)O,
,,,EDO:B:537,invalid,,,,,C(CO)O,
,,,EDO:B:539,invalid,,,,,C(CO)O,
,,,GOL:A:540,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:515,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:515,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:B:513,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UMP:A:525,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:525,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,3KJR,,,,,,,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:512,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:512,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NHE:A:513,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,3K2H,,,,,,,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,LYA:A:513,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:A:514,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:B:513,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:B:514,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:515,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:515,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:512,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:512,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1NCE,,,,,,,
,,,CB3:A:566,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:568,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:565,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:567,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1JTQ,,,,,,,
,,,LY3:A:501,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O,
,,,LY3:B:502,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](CCc4n[nH]nn4)C(=O)O,
,,,UMP:A:565,Part of Protein,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:565,Part of Protein,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1FWM,,,,,,,
,,,CB3:A:266,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:566,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JG0,,,,,,,
,,,DDT:A:304,valid,ic50,=,5,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O,
,,,DDT:B:306,valid,ic50,=,5,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccc(cc3)OS(=O)(=O)c4cccc5c4cccc5N(C)C)C(=O)O,
,,,UMP:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:305,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,4ISK,,,,,,,
,,,UMC:F:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:B:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:E:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:D:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:H:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,1JY:G:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:C:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:H:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:D:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:A:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:B:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:E:303,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,1JY:F:302,valid,Ki,=,1.2,nM,C#CCN(c1ccc(cc1)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)[C@H]2CCc3c2cc4c(c3)NC(=NC4=O)CO,
,,,UMP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:G:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:H:302,invalid,,,,,[Mg+2],
,,,MG:C:302,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:G:302,invalid,,,,,[Mg+2],
,,,MG:E:302,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1DNA,,,,,,,
,,,CB3:A:601,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:602,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:603,Part of Protein,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:604,Part of Protein,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,6NNR,,,,,,,
,,,EPE:A:904,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:905,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,UMC:A:901,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:B:301,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,CB3:B:302,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:A:902,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,1F4F,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TP3:A:701,valid,Ki,=,24,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O,
,,,TP3:B:702,valid,Ki,=,24,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)O,
,Family. Representative Entry is ,1SYN,,,,,,,
,,,F89:A:301,valid,Kd,=,0.1,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:B:301,valid,Kd,=,0.1,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:300,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:300,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,6QYQ,,,,,,,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,FFO:B:402,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:D:402,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1KCE,,,,,,,
,,,CB3:A:300,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:300,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:301,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:301,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1DDU,,,,,,,
,,,CB3:A:534,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:535,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,DDU:A:532,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O,
,,,DDU:B:533,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O,
,,,PO4:A:530,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:531,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4GEV,,,,,,,
,,,CB3:A:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:802,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMC:A:701,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMC:B:801,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,1TLC,,,,,,,
,,,DGP:A:265,valid,Kd,=,0.076,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGP:B:265,valid,Kd,=,0.076,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,F89:A:266,valid,,,,,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:B:266,valid,,,,,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,1AIQ,,,,,,,
,,,CB3:A:266,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:267,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:265,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:266,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1TDU,,,,,,,
,,,CB3:A:302,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:302,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,DUR:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1F28,,,,,,,
,,,F89:A:401,valid,Ki,=,16,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:B:402,valid,Ki,=,16,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:C:403,valid,Ki,=,16,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:D:404,valid,Ki,=,16,nM,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:304,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1AXW,,,,,,,
,,,MTX:A:732,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:733,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:604,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,6CDZ,,,,,,,
,,,CB3:B:301,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:A:701,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMC:B:302,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,UMP:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1BQ1,,,,,,,
,,,CB3:A:566,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:568,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:565,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:567,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1I00,,,,,,,
,,,D16:A:315,valid,Ki,=,0.46,uM,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:409,valid,Ki,=,0.46,uM,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:314,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:408,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6PF6,,,,,,,
,,,UMP:D:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,OEJ:B:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O,
,,,OEJ:C:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)C(=O)O,
,,5X66,,,,,,,
,,,MTX:B:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:F:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:A:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:E:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:402,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:C:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1HVY,,,,,,,
,,,BME:A:1514,invalid,,,,,C(CS)O,
,,,BME:B:1515,invalid,,,,,C(CS)O,
,,,BME:C:1516,invalid,,,,,C(CS)O,
,,,BME:D:1517,invalid,,,,,C(CS)O,
,,,D16:A:414,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:415,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:C:416,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:D:417,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:314,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:315,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:316,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:317,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6PF3,,,,,,,
,,,UMP:D:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,OE7:A:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl,
,,,OE7:B:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl,
,,,OE7:D:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl,
,,,OE7:C:601,valid,,,,,c1cc(ccc1Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)Nc4cc(ccc4C(=O)O)Cl,
,,6PF5,,,,,,,
,,,UMP:D:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,OED:A:601,valid,,,,,COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O,
,,,OED:C:601,valid,,,,,COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O,
,,,OED:D:601,valid,,,,,COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O,
,,,OED:B:601,valid,,,,,COc1ccc(c(c1)NC(=O)c2ccc(cc2)Cc3c[nH]c4c3C(=O)NC(=N4)N)CC(=O)O,
,,5X67,,,,,,,
,,,UMP:B:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,7Z9:B:402,valid,,,,,Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N,
,,,7Z9:A:402,valid,,,,,Cc1ccc2c(c1Sc3ccncc3)C(=O)NC(=N2)N,
,,5X5D,,,,,,,
,,,UMP:B:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:401,valid,Kd,=,1.19,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2A9W,,,,,,,
,,,2BR:B:1819,invalid,,,,,c1ccc(c(c1)O)Br,
,,,BME:A:1815,invalid,,,,,C(CS)O,
,,,BME:A:1817,invalid,,,,,C(CS)O,
,,,BME:C:1816,invalid,,,,,C(CS)O,
,,,BME:D:1818,invalid,,,,,C(CS)O,
,,,GA9:A:1320,valid,Ki,=,4.1,uM,c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl,
,,,GA9:B:1321,valid,Ki,=,4.1,uM,c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl,
,,,GA9:C:1318,valid,Ki,=,4.1,uM,c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl,
,,,GA9:D:1319,valid,Ki,=,4.1,uM,c1cc2c(ccc3c2c(c1)C(OC3=O)(c4ccc(c(c4)Br)O)c5ccc(c(c5)Br)O)Cl,
,,,GOL:A:1803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1810,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1809,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1808,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1805,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1807,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1266,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1270,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1265,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1273,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1275,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1267,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1271,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1274,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1272,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1276,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UMP:A:1277,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:1278,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1279,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:1280,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1KZI,,,,,,,
,,,CO3:A:803,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:804,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:805,invalid,,,,,C(=O)([O-])[O-],
,,,DTT:B:802,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTU:A:800,Part of Protein,,,,,C([C@H]([C@H](CS)O)O)S,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,THG:A:303,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:305,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,UMP:A:302,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:304,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2AAZ,,,,,,,
,,,CB3:A:2351,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:2401,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:C:2451,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:D:2501,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:E:2551,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:F:2601,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:G:2651,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:H:2701,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:350,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:400,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:450,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:500,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:550,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:G:650,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:H:700,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:I:350,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:J:400,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:K:450,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:L:500,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:M:550,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:N:600,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:O:650,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:P:700,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1ZPR,,,,,,,
,,,CB3:A:300,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:300,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1F4G,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TP4:A:601,valid,Ki,=,330,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O,
,,,TP4:B:602,valid,Ki,=,330,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)S(=O)(=O)[N@]2CCC[C@@H]2C(=O)NCCC(=O)O,
,Family. Representative Entry is ,5J7W,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MTX:C:402,valid,Ki,=,13,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:402,valid,Ki,=,13,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,6QYA,,,,,,,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMP:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,CL:D:406,invalid,,,,,[Cl-],
,,,FFO:B:401,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:D:401,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,Family. Representative Entry is ,1TSD,,,,,,,
,,,BME:A:265,invalid,,,,,C(CS)O,
,,,BME:A:266,invalid,,,,,C(CS)O,
,,,F89:A:268,valid,,,,,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,F89:B:266,valid,,,,,CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:A:267,valid,Kd,=,0.04,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:265,valid,Kd,=,0.04,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
3.1.1.29,,,,,,,,,
,Family. Representative Entry is ,4JWK,,,,,,,
,,,CTN:A:201,valid,Kd,=,5.3,nM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,4JX9,,,,,,,
,,,URI:A:201,valid,Kd,=,1.4,nM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,4QBK,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,3NZ:A:202,valid,Kd,=,0.000000064,M,COc1ccc(cc1)C[C@@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N,
,,4QD3,,,,,,,
,,,5AE:A:201,valid,Kd,=,0.000000064,M,C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
5.3.1.10,,,,,,,,,
,Family. Representative Entry is ,1FS5,,,,,,,
,,,16G:A:1267,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:2267,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,TLA:A:1268,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,1HOR,,,,,,,
,,,AGP:A:268,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:B:268,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,PO4:A:267,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:267,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FRZ,,,,,,,
,,,16G:A:1267,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:2567,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,1FQO,,,,,,,
,,,F6R:A:1267,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:A:1268,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:2267,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:2268,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,1HOT,,,,,,,
,,,16G:A:269,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:271,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,PO4:A:267,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:268,invalid,,,,,[O-]P(=O)([O-])[O-],
3.1.4.17,,,,,,,,,
,Family. Representative Entry is ,3TGE,,,,,,,
,,,MG:A:865,Part of Protein,,,,,[Mg+2],
,,,TGE:A:999,valid,ic50,=,0.07,nM,CCCOCCN1c2cc(ncc2N=C(C1=O)NCCN3CCOCC3)c4ccc(nc4)OC,
,,,ZN:A:864,Part of Protein,,,,,[Zn+2],
,,2CHM,,,,,,,
,,,3P4:A:1861,valid,ic50,=,5.5,nM,CCc1c2c([nH][n+]1C3CN(C3)CC)C(=O)NC(=N2)c4cc(cnc4OCCC=C)C(=C)O,
,,,MES:A:1862,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1860,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1859,Part of Protein,,,,,[Zn+2],
,,3TGG,,,,,,,
,,,0H3:A:999,valid,,,,,CCCOCCN1c2cc(ncc2C(=NC1=O)NCCOC(C)C)c3ccc(nc3)OC,
,,,MG:A:865,Part of Protein,,,,,[Mg+2],
,,,ZN:A:864,Part of Protein,,,,,[Zn+2],
,,3HDZ,,,,,,,
,,,MG:A:865,Part of Protein,,,,,[Mg+2],
,,,PD6:A:400,valid,ic50,=,51,nM,CCCCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3,
,,,ZN:A:864,Part of Protein,,,,,[Zn+2],
,,3B2R,,,,,,,
,,,VDN:A:1,valid,,,,,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,,VDN:B:1,valid,,,,,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,2H44,,,,,,,
,,,7CA:A:301,valid,ic50,=,1.7,uM,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3c(c(cc(c3C2=O)O)O)CCC(C)C)c4ccc(cc4)OC)O)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,2H42,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:506,Part of Protein,,,,,[Mg+2],
,,,VIA:A:901,valid,ic50,=,2.4,nM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,VIA:B:902,valid,ic50,=,2.4,nM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,VIA:C:903,valid,ic50,=,2.4,nM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,1T9S,,,,,,,
,,,5GP:A:859,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:859,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,4MD6,,,,,,,
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,24E:A:902,valid,ic50,=,17,nM,c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,1UHO,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,VDN:A:1000,valid,Kd,~,0.6,nM,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,1UDT,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,VIA:A:1000,valid,Kd,~,0.5,nM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,1RKP,,,,,,,
,,,IBM:A:201,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4IA0,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,5BB:A:901,valid,ic50,=,77,nM,CCCCCCCCC1=C(C(=O)NC(=N1)c2cc(ccc2OCC)S(=O)(=O)N3CCN(CC3)C)Br,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,3SIE,,,,,,,
,,,5BO:A:1,valid,ic50,=,13.3,nM,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C,
,,,5BO:B:1,valid,ic50,=,13.3,nM,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)CC)S(=O)(=O)N3CCN(CC3)C,
,,3HC8,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:A:865,Part of Protein,,,,,[Mg+2],
,,,PD4:A:901,valid,ic50,=,2.9,nM,CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O)NCCN4CCOCC4,
,,,ZN:A:864,Part of Protein,,,,,[Zn+2],
,,1XP0,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,VDN:A:201,valid,ic50,=,0.001,uM,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,1XOZ,,,,,,,
,,,CIA:A:501,valid,ic50,=,0.0012,uM,CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,6L6E,,,,,,,
,,,E6L:A:901,valid,,,,,COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I9Z,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,PEG:A:904,invalid,,,,,C(COCCO)O,
,,,PEG:A:905,invalid,,,,,C(COCCO)O,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,5BA:A:901,valid,ic50,=,18.2,nM,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Br)C(C)C)C(=O)CN3CCN(CC3)C,
,,1TBF,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,VIA:A:501,valid,,,,,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4OEX,,,,,,,
,,,5EO:A:901,valid,Kd,=,0.000000064,M,CCCOc1ccc(cc1C2=NC(=CC(=O)N2)CC)S(=O)(=O)N3CCN(CC3)C,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,4G2Y,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,NI5:A:904,valid,ic50,>,1000,nM,CCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,PEG:A:901,invalid,,,,,C(COCCO)O,
,,4OEW,,,,,,,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,5IO:A:903,valid,Kd,=,0.000000064,M,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)I)CC)S(=O)(=O)N3CCN(CC3)C,
,Family. Representative Entry is ,1XON,,,,,,,
,,,B3P:A:601,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:A:724,invalid,,,,,C(CO)O,
,,,EDO:A:729,invalid,,,,,C(CO)O,
,,,EDO:A:731,invalid,,,,,C(CO)O,
,,,EDO:A:732,invalid,,,,,C(CO)O,
,,,EDO:A:733,invalid,,,,,C(CO)O,
,,,EDO:A:736,invalid,,,,,C(CO)O,
,,,EDO:A:739,invalid,,,,,C(CO)O,
,,,EDO:A:742,invalid,,,,,C(CO)O,
,,,EDO:A:744,invalid,,,,,C(CO)O,
,,,EDO:A:745,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:725,invalid,,,,,C(CO)O,
,,,EDO:B:726,invalid,,,,,C(CO)O,
,,,EDO:B:727,invalid,,,,,C(CO)O,
,,,EDO:B:728,invalid,,,,,C(CO)O,
,,,EDO:B:730,invalid,,,,,C(CO)O,
,,,EDO:B:734,invalid,,,,,C(CO)O,
,,,EDO:B:740,invalid,,,,,C(CO)O,
,,,EDO:B:741,invalid,,,,,C(CO)O,
,,,EDO:B:743,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,PIL:A:501,valid,ic50,=,0.021,nM,COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl,
,,,PIL:B:502,valid,ic50,=,0.021,nM,COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,2QYN,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NPV:A:1,valid,ic50,=,0.57,uM,c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O,
,,,NPV:B:1,valid,ic50,=,0.57,uM,c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,6F8R,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,CZK:B:601,valid,ic50,=,20,uM,COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O,
,,,CZK:A:601,valid,ic50,=,20,uM,COc1ccc(cc1OC2CCCC2)c3ccn(n3)C[C@H](CN4CCOCC4)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,6NJI,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,KR4:B:702,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl,
,,,KR4:A:702,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,,3G58,,,,,,,
,,,988:A:901,valid,ic50,=,5,nM,c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4,
,,,988:B:902,valid,ic50,=,5,nM,c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4,
,,,988:C:903,valid,ic50,=,5,nM,c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4,
,,,988:D:904,valid,ic50,=,5,nM,c1cc(cc(c1)[N+](=O)[O-])c2cc(cc3c2nccc3)Cc4ccncc4,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:10,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:C:13,invalid,,,,,C(CO)O,
,,,EDO:C:16,invalid,,,,,C(CO)O,
,,,EDO:C:18,invalid,,,,,C(CO)O,
,,,EDO:C:5,invalid,,,,,C(CO)O,
,,,EDO:D:11,invalid,,,,,C(CO)O,
,,,EDO:D:14,invalid,,,,,C(CO)O,
,,,EDO:D:15,invalid,,,,,C(CO)O,
,,,EDO:D:2,invalid,,,,,C(CO)O,
,,,EDO:D:4,invalid,,,,,C(CO)O,
,,,MG:A:625,Part of Protein,,,,,[Mg+2],
,,,MG:B:625,Part of Protein,,,,,[Mg+2],
,,,MG:C:625,Part of Protein,,,,,[Mg+2],
,,,MG:D:625,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:624,Part of Protein,,,,,[Zn+2],
,,,ZN:B:624,Part of Protein,,,,,[Zn+2],
,,,ZN:C:624,Part of Protein,,,,,[Zn+2],
,,,ZN:D:624,Part of Protein,,,,,[Zn+2],
,,6BOJ,,,,,,,
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:704,Part of Protein,,,,,[Zn+2],
,,,ZN:D:701,Part of Protein,,,,,[Zn+2],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,MPD:C:705,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:705,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:D:705,invalid,,,,,[Cl-],
,,,CL:B:704,invalid,,,,,[Cl-],
,,,CL:C:704,invalid,,,,,[Cl-],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,E31:B:703,valid,,,,,CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N,
,,,E31:D:703,valid,,,,,CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N,
,,,E31:C:703,valid,,,,,CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N,
,,,E31:A:703,valid,,,,,CCc1cc(nc(n1)c2cccc(c2)Cl)Cc3ccc(cc3)CC(=O)N,
,,3SL6,,,,,,,
,,,DMS:B:14,invalid,,,,,CS(=O)C,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:441,invalid,,,,,C(CO)O,
,,,EDO:A:442,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:C:3,invalid,,,,,C(CO)O,
,,,EDO:C:4,invalid,,,,,C(CO)O,
,,,EDO:C:440,invalid,,,,,C(CO)O,
,,,EDO:C:5,invalid,,,,,C(CO)O,
,,,EDO:C:7,invalid,,,,,C(CO)O,
,,,EDO:C:8,invalid,,,,,C(CO)O,
,,,EDO:C:9,invalid,,,,,C(CO)O,
,,,EDO:D:10,invalid,,,,,C(CO)O,
,,,EDO:D:11,invalid,,,,,C(CO)O,
,,,EDO:D:2,invalid,,,,,C(CO)O,
,,,EDO:D:3,invalid,,,,,C(CO)O,
,,,EDO:D:4,invalid,,,,,C(CO)O,
,,,EDO:D:440,invalid,,,,,C(CO)O,
,,,EDO:D:5,invalid,,,,,C(CO)O,
,,,EDO:D:6,invalid,,,,,C(CO)O,
,,,EDO:D:7,invalid,,,,,C(CO)O,
,,,EDO:D:8,invalid,,,,,C(CO)O,
,,,EDO:D:9,invalid,,,,,C(CO)O,
,,,EPE:C:2,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,JN8:A:440,valid,ic50,=,0.29,uM,CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1,
,,,JN8:B:440,valid,ic50,=,0.29,uM,CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1,
,,,JN8:C:441,valid,ic50,=,0.29,uM,CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1,
,,,JN8:D:15,valid,ic50,=,0.29,uM,CCNC(=O)N1CCc2c(sc(c2C(=O)OC3CCCC3)NC(=O)Cc4cccs4)C1,
,,,ZN:A:10,Part of Protein,,,,,[Zn+2],
,,,ZN:A:11,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,,ZN:C:10,Part of Protein,,,,,[Zn+2],
,,,ZN:C:11,Part of Protein,,,,,[Zn+2],
,,,ZN:D:12,Part of Protein,,,,,[Zn+2],
,,,ZN:D:13,Part of Protein,,,,,[Zn+2],
,,1OYN,,,,,,,
,,,ROL:A:503,valid,ic50,=,0.55,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:505,valid,ic50,=,0.55,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:C:507,valid,ic50,=,0.55,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:D:509,valid,ic50,=,0.55,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,6F8X,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,D08:B:604,valid,ic50,=,17,uM,COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO,
,,,D08:A:605,valid,ic50,=,17,uM,COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,DMS:B:603,invalid,,,,,CS(=O)C,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1Y2B,,,,,,,
,,,DEE:A:502,valid,ic50,=,82,uM,CCOC(=O)c1c([nH]nc1C)C,
,,,DEE:B:501,valid,ic50,=,82,uM,CCOC(=O)c1c([nH]nc1C)C,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:629,invalid,,,,,C(CO)O,
,,,EDO:A:633,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:617,invalid,,,,,C(CO)O,
,,,EDO:B:618,invalid,,,,,C(CO)O,
,,,EDO:B:625,invalid,,,,,C(CO)O,
,,,EDO:B:627,invalid,,,,,C(CO)O,
,,,EDO:B:628,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,6IMD,,,,,,,
,,,AH9:B:504,valid,ic50,=,58.5,uM,COc1cc2c(cc1OC)CN(CC2)C=O,
,,,AH9:A:505,valid,ic50,=,58.5,uM,COc1cc2c(cc1OC)CN(CC2)C=O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,1TBB,,,,,,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ROL:A:501,valid,,,,,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:502,valid,,,,,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,4W1O,,,,,,,
,,,3GJ:B:501,valid,,,,,CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl,
,,,3GJ:A:501,valid,,,,,CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl,
,,,3GJ:C:501,valid,,,,,CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl,
,,,3GJ:D:501,valid,,,,,CCc1cc(on1)COc2cc(ccc2OC)C(=O)Nc3c(cncc3Cl)Cl,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,5LBO,,,,,,,
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:D:1011,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:D:1003,invalid,,,,,C(CO)O,
,,,EDO:D:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:D:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:D:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:C:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:D:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:D:1004,invalid,,,,,C(CO)O,
,,,EDO:D:1010,invalid,,,,,C(CO)O,
,,,EDO:D:1009,invalid,,,,,C(CO)O,
,,,6M5:A:1011,valid,,,,,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,6M5:B:1011,valid,,,,,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,6M5:C:1008,valid,,,,,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,6M5:D:1015,valid,,,,,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,DTT:A:1010,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1013,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:1014,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,PEG:D:1012,invalid,,,,,C(COCCO)O,
,,,PEG:D:1013,invalid,,,,,C(COCCO)O,
,,,EPE:B:1010,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1007,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6IMT,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,AK0:A:508,valid,ic50,=,0.25,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F,
,,,AK0:B:508,valid,ic50,=,0.25,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3ccc(c4)F,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,6RCW,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,DTT:A:516,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:501,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,PEG:D:516,invalid,,,,,C(COCCO)O,
,,,PEG:D:514,invalid,,,,,C(COCCO)O,
,,,PEG:A:515,invalid,,,,,C(COCCO)O,
,,,JX2:D:515,valid,,,,,COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,JX2:B:514,valid,,,,,COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,JX2:C:510,valid,,,,,COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,EPE:B:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:509,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6HWO,,,,,,,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:D:512,Part of Protein,,,,,[Zn+2],
,,,ZN:B:508,Part of Protein,,,,,[Zn+2],
,,,ZN:C:509,Part of Protein,,,,,[Zn+2],
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:D:520,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:D:514,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:D:522,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:D:519,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:D:521,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:D:518,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:C:513,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,MG:D:516,Part of Protein,,,,,[Mg+2],
,,,MG:B:513,Part of Protein,,,,,[Mg+2],
,,,MG:A:514,Part of Protein,,,,,[Mg+2],
,,,MG:C:512,Part of Protein,,,,,[Mg+2],
,,,PEG:A:521,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:D:524,invalid,,,,,C(COCCO)O,
,,,PEG:B:511,invalid,,,,,C(COCCO)O,
,,,PEG:C:511,invalid,,,,,C(COCCO)O,
,,,FFZ:D:515,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC,
,,,FFZ:B:512,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC,
,,,FFZ:A:513,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC,
,,,FFZ:C:510,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC,
,,,EPE:B:516,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:520,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:523,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,DMS:D:502,invalid,,,,,CS(=O)C,
,,,DMS:B:510,invalid,,,,,CS(=O)C,
,,,DMS:D:507,invalid,,,,,CS(=O)C,
,,6IMI,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,AH6:A:504,valid,ic50,=,26.1,uM,CCOc1cc2c(cc1OC)CN(CC2)C=O,
,,,AH6:B:503,valid,ic50,=,26.1,uM,CCOc1cc2c(cc1OC)CN(CC2)C=O,
,,6IMB,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,MG:B:504,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,AH9:A:503,valid,ic50,=,58.5,uM,COc1cc2c(cc1OC)CN(CC2)C=O,
,,,AH9:B:505,valid,ic50,=,58.5,uM,COc1cc2c(cc1OC)CN(CC2)C=O,
,,1ZKN,,,,,,,
,,,IBM:A:603,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:603,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:C:603,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:D:501,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,6NJJ,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:705,Part of Protein,,,,,[Zn+2],
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,SO4:D:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KR7:B:703,valid,,,,,c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O,
,,,KR7:A:703,valid,,,,,c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O,
,,,KR7:C:703,valid,,,,,c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O,
,,,KR7:D:703,valid,,,,,c1cc(cc(c1)Cl)c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O,
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,BTB:A:704,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:704,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,3SL4,,,,,,,
,,,DMS:A:442,invalid,,,,,CS(=O)C,
,,,DMS:A:6,invalid,,,,,CS(=O)C,
,,,DMS:B:7,invalid,,,,,CS(=O)C,
,,,DMS:C:10,invalid,,,,,CS(=O)C,
,,,DMS:D:13,invalid,,,,,CS(=O)C,
,,,DMS:D:23,invalid,,,,,CS(=O)C,
,,,DMS:D:8,invalid,,,,,CS(=O)C,
,,,DMS:D:9,invalid,,,,,CS(=O)C,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:15,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:17,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:21,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:441,invalid,,,,,C(CO)O,
,,,EDO:A:443,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:10,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:13,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:16,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:18,invalid,,,,,C(CO)O,
,,,EDO:B:19,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,EDO:C:11,invalid,,,,,C(CO)O,
,,,EDO:C:12,invalid,,,,,C(CO)O,
,,,EDO:C:13,invalid,,,,,C(CO)O,
,,,EDO:C:14,invalid,,,,,C(CO)O,
,,,EDO:C:15,invalid,,,,,C(CO)O,
,,,EDO:C:4,invalid,,,,,C(CO)O,
,,,EDO:C:440,invalid,,,,,C(CO)O,
,,,EDO:C:5,invalid,,,,,C(CO)O,
,,,EDO:C:6,invalid,,,,,C(CO)O,
,,,EDO:C:8,invalid,,,,,C(CO)O,
,,,EDO:D:10,invalid,,,,,C(CO)O,
,,,EDO:D:11,invalid,,,,,C(CO)O,
,,,EDO:D:14,invalid,,,,,C(CO)O,
,,,EDO:D:15,invalid,,,,,C(CO)O,
,,,EDO:D:17,invalid,,,,,C(CO)O,
,,,EDO:D:18,invalid,,,,,C(CO)O,
,,,EDO:D:20,invalid,,,,,C(CO)O,
,,,EDO:D:21,invalid,,,,,C(CO)O,
,,,EDO:D:22,invalid,,,,,C(CO)O,
,,,EDO:D:4,invalid,,,,,C(CO)O,
,,,EDO:D:440,invalid,,,,,C(CO)O,
,,,EDO:D:5,invalid,,,,,C(CO)O,
,,,EDO:D:6,invalid,,,,,C(CO)O,
,,,EDO:D:7,invalid,,,,,C(CO)O,
,,,EPE:B:6,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:7,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,JN4:A:23,valid,ic50,=,0.027,uM,C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1,
,,,JN4:B:21,valid,ic50,=,0.027,uM,C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1,
,,,JN4:C:18,valid,ic50,=,0.027,uM,C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1,
,,,JN4:D:442,valid,ic50,=,0.027,uM,C=CNC(=O)N1CCc2c(sc(c2C(=O)OC=C)NC(=O)Cc3ccccc3)C1,
,,,PEG:A:440,invalid,,,,,C(COCCO)O,
,,,PEG:D:12,invalid,,,,,C(COCCO)O,
,,,PEG:D:16,invalid,,,,,C(COCCO)O,
,,,PEG:D:19,invalid,,,,,C(COCCO)O,
,,,PEG:D:441,invalid,,,,,C(COCCO)O,
,,,PO4:A:20,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:20,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:17,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:24,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,1XOQ,,,,,,,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:429,invalid,,,,,C(CO)O,
,,,EDO:A:433,invalid,,,,,C(CO)O,
,,,EDO:A:444,invalid,,,,,C(CO)O,
,,,EDO:A:445,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,EDO:B:427,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:430,invalid,,,,,C(CO)O,
,,,EDO:B:434,invalid,,,,,C(CO)O,
,,,EDO:B:441,invalid,,,,,C(CO)O,
,,,EDO:B:448,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ROF:A:502,valid,ic50,=,0.68,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ROF:B:501,valid,ic50,=,0.68,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1Y2E,,,,,,,
,,,5DE:A:1003,valid,ic50,=,0.16,uM,CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C,
,,,5DE:B:1003,valid,ic50,=,0.16,uM,CCOC(=O)c1c(nn(c1C)c2ccc(cc2)N)C,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:433,invalid,,,,,C(CO)O,
,,,EDO:A:444,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:B:430,invalid,,,,,C(CO)O,
,,,EDO:B:434,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1PTW,,,,,,,
,,,AMP:A:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,6FTW,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,E6Z:A:517,valid,,,,,COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4,
,,,E6Z:B:509,valid,,,,,COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4,
,,,E6Z:C:512,valid,,,,,COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4,
,,,E6Z:D:516,valid,,,,,COc1ccc(cc1C#CC(=O)N)C2=NN(C(=O)[C@H]3[C@@H]2CC=CC3)C4CCCCCC4,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:C:513,invalid,,,,,C(CO)O,
,,,EDO:D:515,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:509,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,EPE:A:515,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:514,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:511,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:508,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5WQA,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,J20:A:501,valid,ic50,=,0.011,uM,COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC,
,,,J20:B:501,valid,ic50,=,0.011,uM,COc1ccc(cc1)C2(c3cc(ccc3-c4c2c(c(cc4)C=O)C#Cc5ccc(cc5)O)O)c6ccc(cc6)OC,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,1Y2D,,,,,,,
,,,4DE:A:601,valid,ic50,=,2,uM,CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C,
,,,4DE:B:602,valid,ic50,=,2,uM,CCOC(=O)c1c(nn(c1C)c2ccc(cc2)OC)C,
,,,B3P:B:801,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,EDO:B:723,invalid,,,,,C(CO)O,
,,,EDO:B:724,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,6F8W,,,,,,,
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,D0E:A:605,valid,ic50,=,23,uM,COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4,
,,,D0E:B:604,valid,ic50,=,23,uM,COc1ccc(cc1OC2CCCC2)c3ccn(n3)CCC(=O)N4CCOCC4,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,6AKR,,,,,,,
,,,ZN:C:702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:702,Part of Protein,,,,,[Zn+2],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,A0O:D:703,valid,,,,,CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C,
,,,A0O:C:703,valid,,,,,CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C,
,,,A0O:B:703,valid,,,,,CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C,
,,,A0O:A:703,valid,,,,,CC(=CCc1c(ccc2c1OC(=O)C=C2)OC)C,
,,6NJH,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:702,Part of Protein,,,,,[Zn+2],
,,,ZN:C:700,Part of Protein,,,,,[Zn+2],
,,,KRD:A:703,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl,
,,,KRD:B:703,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl,
,,,KRD:D:704,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl,
,,,KRD:C:702,valid,,,,,CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c3)Cl,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,1TB7,,,,,,,
,,,AMP:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,B3P:A:601,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:533,invalid,,,,,C(CO)O,
,,,EDO:A:536,invalid,,,,,C(CO)O,
,,,EDO:A:537,invalid,,,,,C(CO)O,
,,,EDO:A:538,invalid,,,,,C(CO)O,
,,,EDO:A:539,invalid,,,,,C(CO)O,
,,,EDO:A:540,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:524,invalid,,,,,C(CO)O,
,,,EDO:B:525,invalid,,,,,C(CO)O,
,,,EDO:B:526,invalid,,,,,C(CO)O,
,,,EDO:B:534,invalid,,,,,C(CO)O,
,,,EDO:B:535,invalid,,,,,C(CO)O,
,,,EDO:B:541,invalid,,,,,C(CO)O,
,,,EDO:B:542,invalid,,,,,C(CO)O,
,,,EDO:B:543,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,6FDC,,,,,,,
,,,MG:B:603,invalid,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DD5:A:606,valid,ic50,=,2.3,uM,c1cc(c(cc1c2ccn(n2)C[C@@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F,
,,,D5N:B:605,valid,ic50,=,2.3,uM,c1cc(c(cc1c2ccnn2C[C@H](CN3CCOCC3)O)OC4CCCC4)OC(F)F,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,6IND,,,,,,,
,,,AKO:B:502,valid,ic50,=,0.24,uM,Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC,
,,,AKO:A:501,valid,ic50,=,0.24,uM,Cc1ccc2c(c1)[nH]cc2CC[C@H]3c4cc(c(cc4CCN3C=O)OC)OC,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,6INK,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,AKU:B:503,valid,ic50,=,0.27,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4,
,,,AKU:A:503,valid,ic50,=,0.27,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,6IMR,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,AJX:A:503,valid,ic50,=,4.3,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4,
,,,AJX:B:503,valid,ic50,=,4.3,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCCc3c[nH]c4c3cccc4,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,1XOR,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZAR:A:701,valid,ic50,=,0.39,uM,COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2,
,,,ZAR:B:704,valid,ic50,=,0.39,uM,COc1cc(ccc1OC(F)F)C2=NNC(=O)C=C2,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3G4K,,,,,,,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:C:5,invalid,,,,,C(CO)O,
,,,EDO:D:10,invalid,,,,,C(CO)O,
,,,EDO:D:624,invalid,,,,,C(CO)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:C:806,Part of Protein,,,,,[Mg+2],
,,,MG:D:808,Part of Protein,,,,,[Mg+2],
,,,ROL:A:901,valid,ic50,=,288,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:902,valid,ic50,=,288,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:C:903,valid,ic50,=,288,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:D:904,valid,ic50,=,288,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:805,Part of Protein,,,,,[Zn+2],
,,,ZN:D:807,Part of Protein,,,,,[Zn+2],
,,1Y2C,,,,,,,
,,,3DE:A:1003,valid,ic50,=,0.27,uM,CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C,
,,,3DE:B:1003,valid,ic50,=,0.27,uM,CCOC(=O)c1c([nH+]n(c1C)c2ccccc2)C,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:533,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:B:525,invalid,,,,,C(CO)O,
,,,EDO:B:526,invalid,,,,,C(CO)O,
,,,EDO:B:527,invalid,,,,,C(CO)O,
,,,EDO:B:528,invalid,,,,,C(CO)O,
,,,EDO:B:530,invalid,,,,,C(CO)O,
,,,EDO:B:534,invalid,,,,,C(CO)O,
,,,EDO:B:540,invalid,,,,,C(CO)O,
,,,EDO:B:541,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,2FM0,,,,,,,
,,,M98:A:601,valid,ic50,=,0.4,nM,c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M98:B:602,valid,ic50,=,0.4,nM,c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M98:C:603,valid,ic50,=,0.4,nM,c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M98:D:604,valid,ic50,=,0.4,nM,c1cc(c[n+](c1)[O-])C[C@@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:506,Part of Protein,,,,,[Mg+2],
,,,MG:D:508,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,6KJZ,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,MKU:A:503,valid,ic50,=,420,nM,CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C,
,,,MKU:B:503,valid,ic50,=,420,nM,CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6F8T,,,,,,,
,,,CZT:A:606,valid,ic50,=,7,uM,C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O,
,,,CZT:B:603,valid,ic50,=,7,uM,C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1Y2K,,,,,,,
,,,7DE:A:602,valid,ic50,=,0.021,uM,CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C,
,,,7DE:B:601,valid,ic50,=,0.021,uM,CCOC(=O)c1c(nn(c1C)c2cccc(c2)[N+](=O)[O-])C,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:A:724,invalid,,,,,C(CO)O,
,,,EDO:A:729,invalid,,,,,C(CO)O,
,,,EDO:A:731,invalid,,,,,C(CO)O,
,,,EDO:A:732,invalid,,,,,C(CO)O,
,,,EDO:A:733,invalid,,,,,C(CO)O,
,,,EDO:A:736,invalid,,,,,C(CO)O,
,,,EDO:A:738,invalid,,,,,C(CO)O,
,,,EDO:A:739,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:725,invalid,,,,,C(CO)O,
,,,EDO:B:726,invalid,,,,,C(CO)O,
,,,EDO:B:727,invalid,,,,,C(CO)O,
,,,EDO:B:728,invalid,,,,,C(CO)O,
,,,EDO:B:730,invalid,,,,,C(CO)O,
,,,EDO:B:734,invalid,,,,,C(CO)O,
,,,EDO:B:735,invalid,,,,,C(CO)O,
,,,EDO:B:737,invalid,,,,,C(CO)O,
,,,EDO:B:740,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1XOM,,,,,,,
,,,CIO:A:603,valid,ic50,=,0.011,uM,COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,
,,,CIO:B:601,valid,ic50,=,0.011,uM,COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,6KK0,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,M36:A:501,valid,ic50,=,17,nM,CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C,
,,,M36:B:501,valid,ic50,=,17,nM,CC(=CCc1c2c(cc(c1OC)OCCCCCCC(=O)O)Oc3cc4c(c(c3C2=O)O)C=CC(O4)(C)C)C,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,2PW3,,,,,,,
,,,CMP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,6IM6,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,AH3:A:505,valid,ic50,=,20.7,uM,CCOc1cc2c(cc1OC)CCN(C2)C=O,
,,,AH3:B:503,valid,ic50,=,20.7,uM,CCOc1cc2c(cc1OC)CCN(C2)C=O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,1Q9M,,,,,,,
,,,ROL:A:503,valid,ic50,=,0.33,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:505,valid,ic50,=,0.33,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:C:507,valid,ic50,=,0.33,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:D:509,valid,ic50,=,0.33,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,4WCU,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,3KQ:C:500,valid,ic50,=,3,nM,COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl,
,,,3KQ:D:500,valid,ic50,=,3,nM,COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl,
,,,3KQ:B:500,valid,ic50,=,3,nM,COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl,
,,,3KQ:A:500,valid,ic50,=,3,nM,COc1ccc(c(c1OC)OCC(=O)NCc2ccccc2)C(=O)Cc3c(cncc3Cl)Cl,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6F8U,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,invalid,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,CZQ:B:603,valid,ic50,=,0.8,uM,C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F,
,,,CZQ:A:606,valid,ic50,=,0.8,uM,C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F,
,,,CZQ:B:604,valid,ic50,=,0.8,uM,C[C@@H]1CN(C[C@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC(F)F,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,6INM,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,AKU:A:503,valid,ic50,=,0.51,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4,
,,,AKU:B:503,valid,ic50,=,0.51,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)CCc3c[nH]c4c3cccc4,
,,2FM5,,,,,,,
,,,M99:A:601,valid,ic50,=,43,nM,c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M99:B:602,valid,ic50,=,43,nM,c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M99:C:603,valid,ic50,=,43,nM,c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,M99:D:604,valid,ic50,=,43,nM,c1cc(c[n+](c1)[O-])C[C@H](c2ccc(c(c2)OC3CC3)OC(F)F)c4ncc(s4)C(C(F)(F)F)(C(F)(F)F)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:506,Part of Protein,,,,,[Mg+2],
,,,MG:D:508,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,3G4I,,,,,,,
,,,D71:A:901,valid,,,,,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:B:902,valid,,,,,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:C:903,valid,,,,,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:D:904,valid,,,,,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,EOH:A:12,invalid,,,,,CCO,
,,,EOH:A:5,invalid,,,,,CCO,
,,,EOH:A:9,invalid,,,,,CCO,
,,,EOH:B:10,invalid,,,,,CCO,
,,,EOH:B:11,invalid,,,,,CCO,
,,,EOH:B:8,invalid,,,,,CCO,
,,,EOH:C:6,invalid,,,,,CCO,
,,,EOH:D:7,invalid,,,,,CCO,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:C:806,Part of Protein,,,,,[Mg+2],
,,,MG:D:808,Part of Protein,,,,,[Mg+2],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:805,Part of Protein,,,,,[Zn+2],
,,,ZN:D:807,Part of Protein,,,,,[Zn+2],
,,6F6U,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,CV8:B:603,valid,ic50,=,16,uM,C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC,
,,,CV8:A:604,valid,ic50,=,16,uM,C[C@@H]1CN(C[C@@H](O1)C)C(=O)CO/N=C/c2ccc(c(c2)OC3CCCC3)OC,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,6F8V,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,D0B:A:605,valid,ic50,=,16,uM,C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC,
,,,D0B:B:603,valid,ic50,=,16,uM,C[C@@H]1CN(C[C@H](O1)C)C(=O)CCn2ccc(n2)c3ccc(c(c3)OC4CCCC4)OC,
,,6IMO,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,AJL:B:503,valid,ic50,=,0.65,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4,
,,,AJL:A:504,valid,ic50,=,0.65,uM,COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]c4c3cccc4,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,3G4L,,,,,,,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:624,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:C:5,invalid,,,,,C(CO)O,
,,,EDO:D:10,invalid,,,,,C(CO)O,
,,,EDO:D:2,invalid,,,,,C(CO)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:C:806,Part of Protein,,,,,[Mg+2],
,,,MG:D:808,Part of Protein,,,,,[Mg+2],
,,,ROF:A:901,valid,ic50,=,5.8,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ROF:B:902,valid,ic50,=,5.8,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ROF:C:903,valid,ic50,=,5.8,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ROF:D:904,valid,ic50,=,5.8,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:805,Part of Protein,,,,,[Zn+2],
,,,ZN:D:807,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6C7D,,,,,,,
,,,MG:C:2003,Part of Protein,,,,,[Mg+2],
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2003,Part of Protein,,,,,[Mg+2],
,,,EOJ:D:2001,valid,ic50,=,0.17,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl,
,,,EOJ:A:2001,valid,ic50,=,0.17,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl,
,,,EOJ:C:2001,valid,ic50,=,0.17,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl,
,,,EOJ:B:2001,valid,ic50,=,0.17,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7ccccc7Cl,
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2002,Part of Protein,,,,,[Zn+2],
,,5U7K,,,,,,,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,7Y1:B:1003,valid,ic50,=,7.1,nM,CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C,
,,,7Y1:A:1003,valid,ic50,=,7.1,nM,CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C,
,,,7Y1:D:1003,valid,ic50,=,7.1,nM,CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C,
,,,7Y1:C:1004,valid,ic50,=,7.1,nM,CCCOc1cncc2n1c(nn2)c3cnn(c3c4ccc(cc4)CC)C,
,,,CL:C:1003,invalid,,,,,[Cl-],
,,6CYD,,,,,,,
,,,FKG:B:1003,valid,ic50,=,2,nM,CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1,
,,,FKG:A:1003,valid,ic50,=,2,nM,CC1=Nc2c(c(nn2[C@@H](C)c3ccc(cc3)C(F)(F)F)CO)C(=O)N1,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5TZA,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OG:D:1001,valid,ic50,=,0.001,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4,
,,,7OG:C:1001,valid,ic50,=,0.001,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4,
,,,7OG:B:1001,valid,ic50,=,0.001,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4,
,,,7OG:A:1001,valid,ic50,=,0.001,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CCCN(C3)C(=O)c4ccc5ccccc5c4,
,,6C7G,,,,,,,
,,,EOY:B:1001,valid,ic50,=,18.2,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C,
,,,EOY:A:1001,valid,ic50,=,18.2,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C,
,,,EOY:D:1001,valid,ic50,=,18.2,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C,
,,,EOY:C:1001,valid,ic50,=,18.2,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC45CC6CC(C4)CC(C6)C5)c7cc(ccc7Cl)OCC(C)C,
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,5VP0,,,,,,,
,,,9GJ:B:1003,valid,ic50,=,0.61,nM,COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC,
,,,9GJ:A:1003,valid,ic50,=,0.61,nM,COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC,
,,,9GJ:C:1003,valid,ic50,=,0.61,nM,COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,5U00,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OV:A:1001,valid,ic50,=,0.002,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F,
,,,7OV:C:1001,valid,ic50,=,0.002,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F,
,,,7OV:D:1001,valid,ic50,=,0.002,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F,
,,,7OV:B:1001,valid,ic50,=,0.002,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)I)F)(F)F,
,,5U7I,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7XS:A:1001,valid,ic50,=,66.6,nM,CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C,
,,,7XS:C:1001,valid,ic50,=,66.6,nM,CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C,
,,,7XS:D:1001,valid,ic50,=,66.6,nM,CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C,
,,,7XS:B:1001,valid,ic50,=,66.6,nM,CC(C)Cc1c2c(ncnc2N3CC(C3)Oc4ccc(cc4)OC)n(n1)C,
,,5U7J,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7XV:D:1001,valid,ic50,=,389.6,nM,CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC,
,,,7XV:C:1001,valid,ic50,=,389.6,nM,CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC,
,,,7XV:A:1001,valid,ic50,=,389.6,nM,CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC,
,,,7XV:B:1001,valid,ic50,=,389.6,nM,CC(C)Cc1nnc2n1c(cnc2)OCCc3ccccc3OC,
,,5XKM,,,,,,,
,,,87R:B:2003,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,87R:F:2003,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,87R:C:2003,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,87R:E:2003,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,87R:A:2004,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,87R:D:2004,valid,ic50,=,24,nM,CC[C@H](c1ccc(cc1)OC(F)(F)F)NC(=O)c2cnn3c2ncc(c3)C,
,,,MG:C:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2003,Part of Protein,,,,,[Mg+2],
,,,MG:E:2001,Part of Protein,,,,,[Mg+2],
,,,MG:F:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2001,Part of Protein,,,,,[Mg+2],
,,,MG:D:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,ZN:E:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,6B98,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,D07:B:1003,valid,Ki,=,22.4,uM,CNc1c2cnn(c2nc(n1)Cl)C,
,,,D07:A:1003,valid,Ki,=,22.4,uM,CNc1c2cnn(c2nc(n1)Cl)C,
,,6B96,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,CZV:A:1003,valid,Ki,=,14.3,nM,c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F,
,,,CZV:B:1003,valid,Ki,=,14.3,nM,c1cc(ccc1C2(CC2)Nc3c4cn[nH]c4nc(n3)Cl)C(F)(F)F,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5U7D,,,,,,,
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,19F:A:1001,valid,ic50,=,0.5,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,,19F:B:1001,valid,ic50,=,0.5,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,,19F:C:1001,valid,ic50,=,0.5,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,6ZQZ,,,,,,,
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,QOQ:D:1003,valid,ic50,=,24,nM,Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F,
,,,QOQ:C:1003,valid,ic50,=,24,nM,Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F,
,,,QOQ:B:1003,valid,ic50,=,24,nM,Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F,
,,,QOQ:A:1003,valid,ic50,=,24,nM,Cc1cc(cc(n1)Cl)CN2CCC[C@@H](C2)c3cc(nc4n3ncn4)C(F)F,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,invalid,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,5TZX,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OY:A:1001,valid,ic50,=,0.052,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F,
,,,7OY:C:1001,valid,ic50,=,0.052,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F,
,,,7OY:B:1001,valid,ic50,=,0.052,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F,
,,,7OY:D:1001,valid,ic50,=,0.052,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Cl)F)(F)F,
,,6C7I,,,,,,,
,,,EP7:B:1001,valid,ic50,=,0.38,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC,
,,,EP7:A:1001,valid,ic50,=,0.38,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC,
,,,EP7:C:1001,valid,ic50,=,0.38,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC,
,,,EP7:D:1001,valid,ic50,=,0.38,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC,
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,6CYB,,,,,,,
,,,FKV:A:1008,valid,ic50,=,0.96,nM,C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3,
,,,FKV:B:1006,valid,ic50,=,0.96,nM,C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CC(F)(F)F)C(=O)NC(=O)N3,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,6B97,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,CZY:B:1003,valid,Ki,=,0.237,uM,C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C,
,,,CZY:A:1003,valid,Ki,=,0.237,uM,C[C@H](c1ccc(cc1)C(F)(F)F)Nc2c3cnn(c3nc(n2)Cl)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5TZZ,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OJ:B:1001,valid,ic50,=,0.014,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:C:1001,valid,ic50,=,0.014,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:A:1001,valid,ic50,=,0.014,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:D:1001,valid,ic50,=,0.014,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,5VP1,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,9GA:A:1004,valid,ic50,=,0.51,nM,Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C,
,,,9GA:B:1003,valid,ic50,=,0.51,nM,Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C,
,,,9GA:C:1003,valid,ic50,=,0.51,nM,Cc1cn2c(c(cn2)C(=O)N[C@@H](c3ccc(cc3)OC(F)(F)F)C(C)(C)O)nc1n4cnc(n4)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,4HTX,,,,,,,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,19F:C:1003,valid,ic50,=,4.7,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,,19F:D:1003,valid,ic50,=,4.7,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,,19F:A:1003,valid,ic50,=,4.7,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,,19F:B:1003,valid,ic50,=,4.7,nM,Cc1c2n(c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)N=C(NC2=O)Cc4ccc(c(c4)OC)OC,
,,6EZF,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,C6Z:A:1003,valid,,,,,c1cc(c(cc1Cl)Cl)Cc2ccc(nn2)S,
,,,NA:A:1007,Part of Protein,,,,,[Na+],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TZ3,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OM:B:1001,valid,ic50,=,0.14,uM,Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4,
,,,7OM:D:1001,valid,ic50,=,0.14,uM,Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4,
,,,7OM:C:1001,valid,ic50,=,0.14,uM,Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4,
,,,7OM:A:1001,valid,ic50,=,0.14,uM,Cc1cc(n2c(n1)ncn2)N3CCC[C@H](C3)C(=O)Nc4ccc5ccccc5c4,
,,5TZH,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OP:B:1001,valid,ic50,=,0.679,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F,
,,,7OP:C:1001,valid,ic50,=,0.679,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F,
,,,7OP:A:1001,valid,ic50,=,0.679,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F,
,,,7OP:D:1001,valid,ic50,=,0.679,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(cc4)F)(F)F,
,,6ZND,,,,,,,
,,,QMZ:A:1003,valid,ic50,=,66,nM,COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4,
,,,QMZ:B:1003,valid,ic50,=,66,nM,COc1cc(cc(c1OC)OC)C(=O)N2CCC[C@@H](C2)c3ccnc4n3ncn4,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5TZC,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7OJ:B:1001,valid,ic50,=,0.008,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:C:1001,valid,ic50,=,0.008,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:A:1001,valid,ic50,=,0.008,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,,7OJ:D:1001,valid,ic50,=,0.008,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)Br)F)(F)F,
,,3ITU,,,,,,,
,,,IBM:A:999,valid,ic50,=,40,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:999,valid,ic50,=,40,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:C:999,valid,ic50,=,40,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:D:999,valid,ic50,=,40,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:920,Part of Protein,,,,,[Mg+2],
,,,MG:B:920,Part of Protein,,,,,[Mg+2],
,,,MG:C:920,Part of Protein,,,,,[Mg+2],
,,,MG:D:920,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4,Part of Protein,,,,,[Zn+2],
,,6C7F,,,,,,,
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,EOS:C:1001,valid,ic50,=,0.00000001,M,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C,
,,,EOS:B:1001,valid,ic50,=,0.00000001,M,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C,
,,,EOS:A:1001,valid,ic50,=,0.00000001,M,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4cc(ccc4Cl)OCC(C)C,
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,6C7E,,,,,,,
,,,EOG:D:1001,valid,ic50,=,0.24,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl,
,,,EOG:C:1001,valid,ic50,=,0.24,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl,
,,,EOG:B:1001,valid,ic50,=,0.24,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl,
,,,EOG:A:1001,valid,ic50,=,0.24,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NC)c4ccccc4Cl,
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,6C7J,,,,,,,
,,,EPV:C:1001,valid,ic50,=,1.32,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C,
,,,EPV:A:1001,valid,ic50,=,1.32,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C,
,,,EPV:D:1001,valid,ic50,=,1.32,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C,
,,,EPV:B:1001,valid,ic50,=,1.32,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCC(C)C)c4cc(ccc4Cl)OC(C)(C)C,
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,4JIB,,,,,,,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,1L6:B:1003,valid,ic50,=,45,nM,CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C,
,,,1L6:C:1003,valid,ic50,=,45,nM,CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C,
,,,1L6:D:1003,valid,ic50,=,45,nM,CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C,
,,,1L6:A:1003,valid,ic50,=,45,nM,CCC(C)(C)c1c2c(n(n1)CCO)C(=O)NCC(=N2)c3ccc(cc3)n4ccnc4C,
,,5U7L,,,,,,,
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,7Y4:B:1001,valid,ic50,=,4.9,nM,CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C,
,,,7Y4:C:1001,valid,ic50,=,4.9,nM,CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C,
,,,7Y4:A:1001,valid,ic50,=,4.9,nM,CCc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@H](C5)N(C)C)n(n3)C,
,,4D09,,,,,,,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,788:B:1,valid,ic50,=,1.7,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5,
,,,788:C:1,valid,ic50,=,1.7,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5,
,,,788:A:1,valid,ic50,=,1.7,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5,
,,,788:D:1,valid,ic50,=,1.7,nM,Cc1c2nnc(n2c3cc(ccc3n1)C(=O)NCc4ccccc4)c5ccccc5,
,,5TZW,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,7P4:C:1001,valid,ic50,=,0.987,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F,
,,,7P4:B:1001,valid,ic50,=,0.987,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F,
,,,7P4:A:1001,valid,ic50,=,0.987,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F,
,,,7P4:D:1001,valid,ic50,=,0.987,uM,Cc1cc(n2c(n1)ncn2)[C@H]3CC(CN(C3)C(=O)c4ccc(c(c4)F)F)(F)F,
,,6CYC,,,,,,,
,,,FKJ:A:1003,valid,ic50,=,14,nM,C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3,
,,,FKJ:B:1003,valid,ic50,=,14,nM,C[C@@H](c1ccc(cc1)C(F)(F)F)n2c3c(c(n2)CO)C(=O)NC(=O)N3,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,4D08,,,,,,,
,,,MG:B:1918,Part of Protein,,,,,[Mg+2],
,,,MG:C:1918,Part of Protein,,,,,[Mg+2],
,,,MG:A:1919,Part of Protein,,,,,[Mg+2],
,,,MG:D:1923,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,Q2T:A:1918,valid,ic50,=,10,nM,CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5,
,,,Q2T:B:1917,valid,ic50,=,10,nM,CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5,
,,,Q2T:C:1917,valid,ic50,=,10,nM,CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5,
,,,Q2T:D:1922,valid,ic50,=,10,nM,CCCCOc1cc(cnc1)c2nnc3n2c4cc(ccc4nc3C)CN5CCOCC5,
,Family. Representative Entry is ,5C2H,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,4PX:A:903,valid,,,,,CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O,
,,,4XU:B:803,valid,Ki,=,0.0082,nM,Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C,
,,5I2R,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,67A:C:803,valid,ic50,=,0.019,uM,c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,67A:B:803,valid,ic50,=,0.019,uM,c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,67A:A:803,valid,ic50,=,0.019,uM,c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,67A:D:803,valid,ic50,=,0.019,uM,c1ccc(cc1)n2c(ccn2)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,4FCB,,,,,,,
,,,0T7:A:803,valid,ic50,=,2.9,nM,CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C,
,,,0T7:B:803,valid,ic50,=,2.9,nM,CCCc1nc(c2n1c3ccc(cc3nc2C)OCc4ccc5ccccc5n4)C,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,4LM3,,,,,,,
,,,NI:A:802,Part of Protein,,,,,[Ni+2],
,,,NI:B:802,Part of Protein,,,,,[Ni+2],
,,,NI:A:803,Part of Protein,,,,,[Ni+2],
,,,NI:B:803,Part of Protein,,,,,[Ni+2],
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,9ZE:A:801,valid,Ki,=,1200,uM,CC(=O)c1ccc2c(c1)OCCO2,
,,5C29,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4XY:A:803,valid,Ki,=,880,nM,CCCNc1c(c(nc(n1)C2CC2)Cl)C,
,,4MSC,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2ZT:A:900,valid,Ki,=,1.1,uM,c1ccc2c(c1)ccc(n2)COc3ccc4cccnc4c3,
,,2OUQ,,,,,,,
,,,5GP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,4MRW,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,MRW:A:900,valid,Ki,=,500,uM,c1cc2c(ccnc2cc1Cl)O,
,,6MSC,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,JY7:B:803,valid,ic50,=,21,nM,Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F,
,,,JY7:A:803,valid,ic50,=,21,nM,Cc1cnccc1c2c3c4cc(cc(c4nnc3n(n2)C)OC)F,
,,5C2E,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4PX:A:803,valid,,,,,CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O,
,,,4Y1:B:803,valid,Ki,=,2,nM,Cc1c(nc(nc1Cl)OCCc2ccccn2)NCc3c(nc(s3)C)C,
,,4LKQ,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,1XM:A:900,valid,Ki,=,450,uM,c1c2c([nH]n1)NC(=S)N=C2N,
,,3LXG,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,Z73:A:1,valid,ic50,=,7.28,nM,CCCc1nc(c2n1c3c(ccc(n3)OC)nc2C)C,
,,,ZN:A:761,Part of Protein,,,,,[Zn+2],
,,5AXP,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,4LK:A:1003,valid,ic50,=,0.94,nM,COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O,
,,,4LK:B:1003,valid,ic50,=,0.94,nM,COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,4ZO5,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4PX:A:803,valid,,,,,CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O,
,,,4Q0:B:803,valid,Ki,=,0.15,nM,CC(C)Oc1cccc2c1C(=O)N(C2=O)CCC3=Nc4ccccc4C(=O)N3c5ccc(cc5)OC,
,,5C1W,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4XS:A:803,valid,Ki,=,8.7,uM,Cc1c(nc(nc1Cl)C2CC2)Cl,
,,3UI7,,,,,,,
,,,C1L:A:1,valid,Ki,=,1,nM,Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC,
,,,C1L:B:1,valid,Ki,=,1,nM,Cc1cc(cc2c1nc3c(c2CN4CCOCC4)c(n[nH]3)C)OC,
,,,MG:A:771,Part of Protein,,,,,[Mg+2],
,,,MG:B:771,Part of Protein,,,,,[Mg+2],
,,,ZN:A:772,Part of Protein,,,,,[Zn+2],
,,,ZN:B:772,Part of Protein,,,,,[Zn+2],
,,2OUY,,,,,,,
,,,CMP:A:779,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,MG:A:778,Part of Protein,,,,,[Mg+2],
,,,MG:B:778,Part of Protein,,,,,[Mg+2],
,,,ZN:A:777,Part of Protein,,,,,[Zn+2],
,,,ZN:B:777,Part of Protein,,,,,[Zn+2],
,,3SNL,,,,,,,
,,,548:B:1,valid,ic50,=,0.7,nM,Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)Cl)C(F)(F)F)C,
,,,MG:A:781,Part of Protein,,,,,[Mg+2],
,,,MG:B:781,Part of Protein,,,,,[Mg+2],
,,,ZN:A:780,Part of Protein,,,,,[Zn+2],
,,,ZN:B:780,Part of Protein,,,,,[Zn+2],
,,4LM4,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,JPZ:A:900,valid,Ki,=,910,uM,c1ccc2c(c1)C(=O)N=CN2,
,,2OUN,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,6MSA,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,JY4:A:803,valid,ic50,=,5,nM,Cc1c2c3cc(c(cc3nnc2n[nH]1)OC)OC,
,,5EDI,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,5M9:D:803,valid,ic50,=,0.3,nM,Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl,
,,,5M9:B:803,valid,ic50,=,0.3,nM,Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl,
,,,5M9:A:803,valid,ic50,=,0.3,nM,Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl,
,,,5M9:C:803,valid,ic50,=,0.3,nM,Cc1cc(c(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C)Cl,
,,2OUR,,,,,,,
,,,CMP:A:778,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,MG:A:777,Part of Protein,,,,,[Mg+2],
,,,MG:B:777,Part of Protein,,,,,[Mg+2],
,,2Y0J,,,,,,,
,,,AXC:A:1760,valid,ic50,=,12,nM,Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4,
,,,AXC:B:1760,valid,ic50,=,12,nM,Cc1nc2c3ccccc3nc(n2n1)SCc4[nH]c5ccccc5n4,
,,,MG:A:1762,Part of Protein,,,,,[Mg+2],
,,,MG:B:1762,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1761,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1761,Part of Protein,,,,,[Zn+2],
,,4FCD,,,,,,,
,,,0T6:A:803,valid,ic50,=,0.28,nM,Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC,
,,,0T6:B:803,valid,ic50,=,0.28,nM,Cc1c2nnc3c(n2c(n1)c4ccccc4Cl)cc(cc3OC)OC,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,5B4L,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,6DW:A:1003,valid,ic50,=,0.76,nM,c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7,
,,,6DW:B:1003,valid,ic50,=,0.76,nM,c1ccc(cc1)n2c(ccn2)C3=NN(C=C(C3=O)OCCN4CCn5c4nc6c5cccc6)CC7CC7,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,4YS7,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4GK:A:803,valid,ic50,=,0.001,uM,Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C,
,,,4GK:B:803,valid,ic50,=,0.001,uM,Cc1cnc(c2n1nc(n2)CCc3nc4c5cccnc5ccc4n3C)C,
,,5EDH,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,5MF:C:803,valid,,,,,CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C,
,,,5MF:D:803,valid,,,,,CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C,
,,,5MF:B:803,valid,,,,,CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C,
,,,5MF:A:803,valid,,,,,CCc1cnc(n2c1nc(n2)CCc3nc(nn3C)N4CCCC4)C,
,,4PHW,,,,,,,
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,2W1:A:805,valid,ic50,=,0.1,nM,c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5,
,,,2W1:B:807,valid,ic50,=,0.1,nM,c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(cccn4)C5CCOCC5,
,,4BBX,,,,,,,
,,,LKF:A:1760,valid,ic50,=,60,nM,Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC,
,,,LKF:B:1760,valid,ic50,=,60,nM,Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C[C@H](C)OC,
,,,ZN:B:1761,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1761,Part of Protein,,,,,[Zn+2],
,,,MG:B:1762,Part of Protein,,,,,[Mg+2],
,,,MG:A:1762,Part of Protein,,,,,[Mg+2],
,,5DH5,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,5AY:A:803,valid,Ki,=,0.23,nM,Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5,
,,,5AY:B:803,valid,Ki,=,0.23,nM,Cn1cc(cn1)CNc2cc(nc3n2ncc3)OC[C@H]4C[C@@H]4c5ccccn5,
,,4P1R,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,SO4:B:815,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:816,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:819,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1016,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:818,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:817,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1017,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1018,invalid,,,,,C(C(CO)O)O,
,,,2KR:A:1020,valid,ic50,=,4.1,nM,Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC,
,,,2KR:B:820,valid,ic50,=,4.1,nM,Cc1ccc(nc1)Nc2ccc(cc2)n3c4c(cccn4)nc3OC,
,,6KDX,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,D6X:A:803,valid,ic50,=,294,nM,Cc1cc(n2c(n1)nc(n2)CCNc3ccc4ccccc4n3)C,
,,4LLP,,,,,,,
,,,NI:A:804,Part of Protein,,,,,[Ni+2],
,,,NI:A:803,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,4ZE:A:801,valid,Ki,=,16,uM,Cc1cc(ccc1O)N,
,,,4ZE:A:802,valid,Ki,=,16,uM,Cc1cc(ccc1O)N,
,,5UWF,,,,,,,
,,,MG:C:803,Part of Protein,,,,,[Mg+2],
,,,MG:D:803,Part of Protein,,,,,[Mg+2],
,,,ZN:D:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,8Q7:C:801,valid,ic50,=,0.059,uM,COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O,
,,,8Q7:D:801,valid,ic50,=,0.059,uM,COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)C(=O)[C@@H]5CC5(F)F)-c6ncnn6C2=O,
,,4MSH,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2D0:A:900,valid,Ki,=,210,uM,c1cc2c(c(c1)Cl)nc(s2)N,
,,5AXQ,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,4LP:A:1003,valid,ic50,=,0.08,nM,CC1(c2c(ccc(c2F)N3C=C(C(=O)C(=N3)c4ccnn4c5ccccc5)OC)N(C1=O)CC6CC6)C,
,,,4LK:B:1003,valid,,,,,COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O,
,,4LM2,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,8ZE:A:900,valid,Ki,=,940,uM,c1cc2c(cc1CO)OCCO2,
,,4YQH,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4F7:B:803,valid,ic50,=,0.009,uM,c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3,
,,,4F7:A:803,valid,ic50,=,0.009,uM,c1ccc(cc1)c2c[nH]c(n2)CCc3cnc4ccccc4n3,
,,5C2A,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4Y2:B:803,valid,Ki,=,4.8,nM,Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C,
,,,4Y2:A:803,valid,Ki,=,4.8,nM,Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C,
,,4DDL,,,,,,,
,,,0JQ:A:1010,valid,ic50,=,4.9,nM,Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC,
,,,0JQ:B:811,valid,ic50,=,4.9,nM,Cc1cc(cnc1N2CCC(CC2)C(C)(C)O)c3cnnc4c3cc(c(c4)OC)OC,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,4P0N,,,,,,,
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:804,Part of Protein,,,,,[Zn+2],
,,,GOL:B:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,1IR:B:801,valid,ic50,=,3.4,nM,COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4,
,,,1IR:A:802,valid,ic50,=,3.4,nM,COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4,
,,,1IS:A:801,valid,ic50,=,0.8,nM,COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4,
,,,1IS:B:802,valid,ic50,=,0.8,nM,COc1nc2cccnc2n1C3CC(C3)Nc4nc5ccccc5s4,
,,5EDG,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,5MG:B:803,valid,,,,,c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,5MG:A:803,valid,,,,,c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,5MG:D:803,valid,,,,,c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,,5MG:C:803,valid,,,,,c1ccc(cc1)c2c(nc([nH]2)Cl)C3=NN(C=CC3=O)c4cccc(c4)OC(F)(F)F,
,,6K9U,,,,,,,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,D4L:A:803,valid,,,,,Cc1ccc2c(c1)nc(c(n2)C)c3cc4nc(cc(n4n3)NC5CCOCC5)N6CCCC6,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,4LLX,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,5ZE:A:900,valid,Ki,=,1300,uM,Cc1cc(nc(n1)N)C,
,,5C28,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,4XV:A:803,valid,Ki,=,2.2,uM,Cc1c(nc(nc1Cl)C2CC2)N,
,,2OUU,,,,,,,
,,,35G:A:778,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:A:779,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:A:780,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,MG:A:777,Part of Protein,,,,,[Mg+2],
,,,MG:B:777,Part of Protein,,,,,[Mg+2],
,,4MVH,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2F5:B:808,valid,ic50,=,4.5,nM,c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5,
,,,2F5:A:1010,valid,ic50,=,4.5,nM,c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5,
,,4HEU,,,,,,,
,,,15J:A:1009,valid,ic50,=,0.097,nM,c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO,
,,,15J:B:809,valid,ic50,=,0.097,nM,c1ccc2c(c1)[nH]c(n2)Nc3ccc(cc3)Oc4cccnc4N5CCC(CC5)CO,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,4LLJ,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,1XN:A:900,valid,Ki,=,380,uM,c1ccc2c(c1)c([nH]c2N)N,
,,3SNI,,,,,,,
,,,546:A:782,valid,ic50,=,11,nM,Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C,
,,,546:B:782,valid,ic50,=,11,nM,Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,MG:A:781,Part of Protein,,,,,[Mg+2],
,,,MG:B:781,Part of Protein,,,,,[Mg+2],
,,,ZN:A:780,Part of Protein,,,,,[Zn+2],
,,,ZN:B:780,Part of Protein,,,,,[Zn+2],
,,4HF4,,,,,,,
,,,15H:A:1012,valid,ic50,=,2.4,nM,C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O,
,,,15H:B:810,valid,ic50,=,2.4,nM,C[C@@H](C1CCN(CC1)c2c(nccn2)Oc3ccc(cc3)Nc4nc5ccccc5s4)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,3SN7,,,,,,,
,,,540:A:780,valid,ic50,=,0.7,nM,Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C,
,,,540:B:780,valid,ic50,=,0.7,nM,Cc1cnccc1c2nc(c3n2c4cc(cc(c4nc3C)OC)F)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,MG:A:782,Part of Protein,,,,,[Mg+2],
,,,MG:B:782,Part of Protein,,,,,[Mg+2],
,,,ZN:A:781,Part of Protein,,,,,[Zn+2],
,,,ZN:B:781,Part of Protein,,,,,[Zn+2],
,,4AEL,,,,,,,
,,,4HN:A:1769,valid,ic50,=,12,nM,CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N,
,,,4HN:B:1771,valid,ic50,=,12,nM,CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,4LLK,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,MEW:A:900,valid,Ki,=,990,uM,CC1=Nc2ccccc2C(=O)N1,
,,4MSA,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2ZM:A:900,valid,Ki,=,500,uM,c1cc2c(cc1[N+](=O)[O-])nc[nH]2,
,,,2ZM:A:903,valid,Ki,=,500,uM,c1cc2c(cc1[N+](=O)[O-])nc[nH]2,
,,4MS0,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2ZX:A:900,valid,Ki,=,410,uM,c1c(nc(nc1Cl)N)N,
,,4LM0,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,5NI:A:900,valid,Ki,=,560,uM,c1cc2c(cc1[N+](=O)[O-])cn[nH]2,
,,4DFF,,,,,,,
,,,0JP:B:801,valid,Ki,=,35,nM,COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,3WI2,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,P98:B:803,valid,ic50,=,92,nM,CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4,
,,,P98:A:803,valid,ic50,=,92,nM,CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,4MRZ,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2ZV:A:900,valid,Ki,=,300,uM,Cc1ccnc(c1[N+](=O)[O-])N,
,,4LM1,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,7ZE:A:900,valid,Ki,=,590,uM,c1cc2c(cccn2)c(c1)[N+](=O)[O-],
,,5DH4,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,5AV:B:803,valid,Ki,=,58,nM,Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl,
,,,5AV:A:803,valid,Ki,=,58,nM,Cc1c(sc(n1)C)CNc2cc(nc3n2ncc3)Cl,
,,,4PX:A:804,valid,,,,,CC(C)(CO)N1C2=C(c3cccnc3N(C2=O)c4ccccc4)NC1=O,
,,5XUJ,,,,,,,
,,,8G6:A:803,valid,,,,,Cc1cc2nccc(n2n1)c3ccc(cc3)Cl,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,3UUO,,,,,,,
,,,0CV:A:1,valid,Ki,=,11,nM,Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC,
,,,0CV:B:1,valid,Ki,=,11,nM,Cc1cc(cc2c1nc3c(c2N4CCNCC4)c(n[nH]3)C)OC,
,,,MG:A:771,Part of Protein,,,,,[Mg+2],
,,,MG:B:771,Part of Protein,,,,,[Mg+2],
,,,PO4:A:773,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:773,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:772,Part of Protein,,,,,[Zn+2],
,,,ZN:B:772,Part of Protein,,,,,[Zn+2],
,,4MSN,,,,,,,
,,,NI:A:901,Part of Protein,,,,,[Ni+2],
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:902,Part of Protein,,,,,[Ni+2],
,,,NI:B:901,Part of Protein,,,,,[Ni+2],
,,,2ZQ:A:900,valid,Ki,=,94,uM,c1cc2cccnc2c(c1)[N+](=O)[O-],
,,4XY2,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,490:A:803,valid,ic50,=,8,nM,Cn1cc(c(n1)COc2ccc(cc2)c3cccc4c3ncn4C)C5=CN(C(=O)C=C5)C,
,Family. Representative Entry is ,2R8Q,,,,,,,
,,,IBM:A:3,valid,ic50,=,580,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:3,valid,ic50,=,580,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3G3N,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,TC8:A:3,valid,ic50,=,0.51,uM,CSC1=Nc2ccccc2C(=O)N1c3c(cccc3F)F,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KSH,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KSG,,,,,,,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3ECN,,,,,,,
,,,IBM:A:3,valid,ic50,=,698,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:3,valid,ic50,=,698,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1XM4,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,PIL:A:1003,valid,ic50,=,0.041,nM,COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl,
,,,PIL:B:1003,valid,ic50,=,0.041,nM,COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EDE,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,5M6:D:803,valid,,,,,Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4,
,,,5M6:C:803,valid,,,,,Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4,
,,,5M6:A:804,valid,,,,,Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4,
,,,5M6:B:804,valid,,,,,Cc1c2cc(sc2n(n1)c3ccc(cc3)Cl)C(=O)NC[C@H]4CCCO4,
,Family. Representative Entry is ,3HR1,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PF9:A:999,valid,ic50,=,0.37,nM,Cn1cc(c(n1)c2ccc(cc2)OCc3ccc4ccccc4n3)c5ccncc5,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3HQW,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PF4:A:999,valid,ic50,=,35,nM,COc1ccc(cc1)c2c(nc([nH]2)c3cccs3)c4ccc(cc4)OC,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3QPO,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PFR:A:999,valid,ic50,=,247,nM,COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[C@H](C4)c5ccccc5,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,2OVV,,,,,,,
,,,MG:A:9002,Part of Protein,,,,,[Mg+2],
,,,PFH:A:999,valid,Ki,=,12,nM,COc1cc2c(cc1OC)ncnc2[N@]3CC[C@H](C3)Oc4ccc5ccccc5c4,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:9001,Part of Protein,,,,,[Zn+2],
,,3QPN,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PFK:A:999,valid,ic50,=,17,nM,COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3HQZ,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PF8:A:999,valid,ic50,=,0.42,nM,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)c5ccncc5,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,2O8H,,,,,,,
,,,227:A:999,valid,Ki,=,25,nM,CN1CCN(CC1)S(=O)(=O)c2cccc3c2C[N@](CC3)c4c5cc(c(cc5ncn4)OC)OC,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3HQY,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PF6:A:999,valid,ic50,=,11.5,nM,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n4)Cc5ccncc5,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,2OVY,,,,,,,
,,,MG:A:9002,Part of Protein,,,,,[Mg+2],
,,,PFJ:A:999,valid,Ki,=,4,nM,COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)Oc4cnc5ccccc5n4,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:9001,Part of Protein,,,,,[Zn+2],
,,3QPP,,,,,,,
,,,DMS:A:900,invalid,,,,,CS(=O)C,
,,,DMS:A:901,invalid,,,,,CS(=O)C,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,PFW:A:999,valid,ic50,=,12,nM,COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@]5CCC[C@H](C5)c6ccccc6,
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1XMU,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ROF:A:101,valid,ic50,=,0.84,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ROF:B:102,valid,ic50,=,0.84,nM,c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2ZMF,,,,,,,
,,,CMP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,1XMY,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ROL:A:101,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:102,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3GWT,,,,,,,
,,,066:A:1,valid,ic50,=,7.94,pM,Cc1cc(cc2c1ncc(c2Nc3cccc(c3)OC)C(=O)N)S(=O)(=O)c4cccc(c4)C(=O)N(C)C,
,,,ARS:A:2,invalid,,,,,[As],
,,,ARS:A:3,invalid,,,,,[As],
,,,ARS:A:4,invalid,,,,,[As],
,,,ARS:A:506,invalid,,,,,[As],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,3WD9,,,,,,,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,QPC:A:901,valid,ic50,=,8.3,nM,CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N,
,,,QPC:B:901,valid,ic50,=,8.3,nM,CC(C)(C)CNC(=O)Cc1ccc(cc1)Nc2c(cnc(n2)c3ccccc3)C(=O)N,
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,4KP6,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,1S1:A:501,valid,ic50,=,0.87,nM,CCC(CC)(C#N)Nc1nc(nc(n1)n2cncn2)NC,
,,4NW7,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,2O5:A:704,valid,ic50,=,237,nM,c1cc(cc(c1)Cl)c2nc(nc(n2)Nc3ccc(cc3)CC(=O)O)C4CC4,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FRG,,,,,,,
,,,ARS:A:2,invalid,,,,,[As],
,,,ARS:A:3,invalid,,,,,[As],
,,,ARS:A:506,invalid,,,,,[As],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,SK4:A:1,valid,ic50,=,3.98,nM,COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,1RO9,,,,,,,
,,,8BR:A:531,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8BR:B:531,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:529,Part of Protein,,,,,[Zn+2],
,,,ZN:A:530,Part of Protein,,,,,[Zn+2],
,,,ZN:B:529,Part of Protein,,,,,[Zn+2],
,,,ZN:B:530,Part of Protein,,,,,[Zn+2],
,,1XOT,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,VDN:A:101,valid,ic50,=,3.8,uM,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,,VDN:B:102,valid,ic50,=,3.8,uM,CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1XLX,,,,,,,
,,,CIO:A:101,valid,ic50,=,0.025,uM,COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,
,,,CIO:B:102,valid,ic50,=,0.025,uM,COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3O57,,,,,,,
,,,ARS:A:2,invalid,,,,,[As],
,,,ARS:A:3,invalid,,,,,[As],
,,,ARS:A:505,invalid,,,,,[As],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ZG2:A:506,valid,ic50,=,79.4,pM,CCn1c2c(cn1)c(c(cn2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6CCOCC6,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3HMV,,,,,,,
,,,GOL:A:531,invalid,,,,,C(C(CO)O)O,
,,,HBT:A:530,valid,,,,,C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1,
,,,HBT:B:530,valid,,,,,C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](=O)[O-])C1,
,,,MG:A:529,Part of Protein,,,,,[Mg+2],
,,,MG:B:529,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3O56,,,,,,,
,,,ARS:A:2,invalid,,,,,[As],
,,,ARS:A:3,invalid,,,,,[As],
,,,ARS:A:505,invalid,,,,,[As],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ZG1:A:506,valid,ic50,=,794,pM,CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCCC4)NC5CCOCC5,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,1XLZ,,,,,,,
,,,FIL:A:1003,valid,ic50,=,0.96,uM,C/C(=NOC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC,
,,,FIL:B:1003,valid,ic50,=,0.96,uM,C/C(=NOC(=O)N)/c1ccc(c(c1)OC2CCCC2)OC,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1XN0,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ROL:A:1003,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:A:1004,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:1003,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:1004,valid,ic50,=,0.57,uM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1TB5,,,,,,,
,,,AMP:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3D3P,,,,,,,
,,,20A:A:505,valid,ic50,=,3.1,nM,CCn1c2c(cn1)c(c(cn2)C(=O)NCc3ccccc3)NC4CCOCC4,
,,,ARS:A:2,invalid,,,,,[As],
,,,ARS:A:3,invalid,,,,,[As],
,,,ARS:A:506,invalid,,,,,[As],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3W5E,,,,,,,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,NVW:A:901,valid,ic50,=,11,nM,CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O,
,,,NVW:B:901,valid,ic50,=,11,nM,CC(C)(C)NC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O,
,,4MYQ,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,ZN:A:703,Part of Protein,,,,,[Zn+2],
,,,19T:A:701,valid,ic50,=,32,nM,CCc1c(nc(nc1Nc2ccc(cc2)CC(=O)O)c3ccc(s3)Cl)C,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,2QYL,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,NPV:A:1,valid,ic50,=,0.65,uM,c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,1XOS,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VIA:A:1,valid,ic50,=,20,uM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,1XM6,,,,,,,
,,,5RM:A:1003,valid,ic50,=,0.42,uM,CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C,
,,,5RM:B:1003,valid,ic50,=,0.42,uM,CCCOc1cc(ccc1OC)[C@@]2(CNC(=O)O2)C,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1RO6,,,,,,,
,,,ARS:A:531,invalid,,,,,[As],
,,,MN:A:530,Part of Protein,,,,,[Mn+2],
,,,MN:B:530,Part of Protein,,,,,[Mn+2],
,,,ROL:A:601,valid,Ki,~,375,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ROL:B:602,valid,Ki,~,375,nM,COc1ccc(cc1OC2CCCC2)[C@H]3CC(=O)NC3,
,,,ZN:A:529,Part of Protein,,,,,[Zn+2],
,,,ZN:B:529,Part of Protein,,,,,[Zn+2],
,,1Y2H,,,,,,,
,,,6DE:A:101,valid,ic50,=,0.056,uM,CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C,
,,,6DE:B:102,valid,ic50,=,0.056,uM,CCOC(=O)c1c(nn(c1C)c2ccccc2Cl)C,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1ROR,,,,,,,
,,,AMP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5B25,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,4QJ:D:603,valid,Ki,=,0.058,nM,CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7,
,,,4QJ:C:603,valid,Ki,=,0.058,nM,CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7,
,,,4QJ:B:603,valid,Ki,=,0.058,nM,CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7,
,,,4QJ:A:603,valid,Ki,=,0.058,nM,CN1C(=O)c2c(nn(c2Nc3ccccc3)Cc4ccc(cc4)c5cccc(n5)F)N6C1=N[C@H]7[C@@H]6CCC7,
,,,GOL:D:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,5UOY,,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,8HM:A:603,valid,ic50,=,0.027,uM,COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O,
,,,8HM:A:604,valid,ic50,=,0.027,uM,COc1ccc(cc1)CN2c3c(c4c(s3)CN(CC4)CC5CCOCC5)-c6ncnn6C2=O,
,,5W6E,,,,,,,
,,,0NY:A:1003,valid,ic50,=,9.1,nM,Cc1cc([nH]n1)C[C@H](C)Nc2c3ccc(c(c3ncn2)OC)OC,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,5UP0,,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,8HP:A:603,valid,ic50,=,0.46,uM,c1cc(ccc1CN2c3c(c4c(s3)CCCC4)-c5ncnn5C2=O)Cl,
,Family. Representative Entry is ,3IB8,,,,,,,
,,,ACT:A:1000,invalid,,,,,CC(=O)[O-],
,,,AMP:A:666,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BTB:A:777,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FE:A:444,Part of Protein,,,,,[Fe+3],
,,,MN:A:555,Part of Protein,,,,,[Mn+2],
,,,MPD:A:778,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:779,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:780,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,1SO2,,,,,,,
,,,666:A:461,valid,ic50,=,0.27,nM,C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I,
,,,666:B:462,valid,ic50,=,0.27,nM,C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I,
,,,666:C:463,valid,ic50,=,0.27,nM,C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I,
,,,666:D:464,valid,ic50,=,0.27,nM,C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC3=C(C(=O)CCC3)Cc4cccc(c4)I,
,,,HG9:A:453,invalid,,,,,CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,HG9:A:454,invalid,,,,,CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,HG9:B:451,invalid,,,,,CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,HG9:B:452,invalid,,,,,CCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,MG:A:471,Part of Protein,,,,,[Mg+2],
,,,MG:A:472,Part of Protein,,,,,[Mg+2],
,,,MG:A:479,Part of Protein,,,,,[Mg+2],
,,,MG:B:473,Part of Protein,,,,,[Mg+2],
,,,MG:B:474,Part of Protein,,,,,[Mg+2],
,,,MG:C:475,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:477,Part of Protein,,,,,[Mg+2],
,,,MG:D:478,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3G4G,,,,,,,
,,,CA:A:4,invalid,,,,,[Ca+2],
,,,CA:B:1,invalid,,,,,[Ca+2],
,,,CA:C:2,invalid,,,,,[Ca+2],
,,,CA:D:3,invalid,,,,,[Ca+2],
,,,D71:A:901,valid,ic50,=,19,nM,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:B:902,valid,ic50,=,19,nM,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:C:903,valid,ic50,=,19,nM,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,D71:D:904,valid,ic50,=,19,nM,c1cc(cc(c1)[N+](=O)[O-])N2c3c(cccn3)C(=O)N(C2=O)Cc4ccncc4,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:C:806,Part of Protein,,,,,[Mg+2],
,,,MG:D:808,Part of Protein,,,,,[Mg+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:805,Part of Protein,,,,,[Zn+2],
,,,ZN:D:807,Part of Protein,,,,,[Zn+2],
3.6.3.15,,,,,,,,,
,Family. Representative Entry is ,5ZE9,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MES:D:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
6.1.1.15,,,,,,,,,
,Family. Representative Entry is ,5XIJ,,,,,,,
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,873:B:1004,valid,ic50,=,67,nM,c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O,
,,,873:A:1004,valid,ic50,=,67,nM,c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O,
,,,873:D:1004,valid,ic50,=,67,nM,c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O,
,,,873:C:1004,valid,ic50,=,67,nM,c1ccc2c(c1)C(=O)N(C=N2)C[C@@H](C[C@@H]3[C@@H](CCCN3)O)O,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XIH,,,,,,,
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,CL:D:1005,invalid,,,,,[Cl-],
,,,CL:C:1005,invalid,,,,,[Cl-],
,,,CL:C:1007,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:C:1006,invalid,,,,,[Cl-],
,,,CL:D:1006,invalid,,,,,[Cl-],
,,,86U:C:1004,valid,ic50,=,68,nM,c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86U:A:1004,valid,ic50,=,68,nM,c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86U:B:1004,valid,ic50,=,68,nM,c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86U:D:1004,valid,ic50,=,68,nM,c1c2c(cc(c1F)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XIQ,,,,,,,
,,,HFG:A:1002,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:B:1002,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:D:1002,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:C:1002,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,MG:D:1004,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:C:1004,invalid,,,,,[Mg+2],
,,,MG:A:1004,invalid,,,,,[Mg+2],
,,,MG:B:1004,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XII,,,,,,,
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:D:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:D:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,CL:C:1005,invalid,,,,,[Cl-],
,,,CL:D:1008,invalid,,,,,[Cl-],
,,,CL:B:1009,invalid,,,,,[Cl-],
,,,CL:D:1009,invalid,,,,,[Cl-],
,,,CL:D:1007,invalid,,,,,[Cl-],
,,,CL:B:1008,invalid,,,,,[Cl-],
,,,CL:D:1010,invalid,,,,,[Cl-],
,,,86X:B:1004,valid,ic50,=,72,nM,c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86X:C:1004,valid,ic50,=,72,nM,c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86X:D:1004,valid,ic50,=,72,nM,c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,86X:A:1004,valid,ic50,=,72,nM,c1c2c(cc(c1Cl)F)N=CN(C2=O)CCC[C@@H]3C(=O)CCCN3,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XIK,,,,,,,
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,CL:D:1005,invalid,,,,,[Cl-],
,,,CL:C:1005,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:D:1006,invalid,,,,,[Cl-],
,,,87C:C:1004,valid,,,,,C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O,
,,,87C:D:1004,valid,,,,,C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O,
,,,87C:B:1004,valid,,,,,C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O,
,,,87C:A:1004,valid,,,,,C1CCC2=C(C1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@@H](CCCN3)O,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5XIG,,,,,,,
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,87F:A:1004,valid,ic50,=,350,nM,c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3,
,,,87F:C:1004,valid,ic50,=,350,nM,c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3,
,,,87F:B:1004,valid,ic50,=,350,nM,c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3,
,,,87F:D:1004,valid,ic50,=,350,nM,c1ccc2c(c1)C(=O)N(C=N2)CCC[C@@H]3C(=O)CCCN3,
,,,ANP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4YDQ,,,,,,,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:803,invalid,,,,,[Mg+2],
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,HFG:B:802,valid,Kd,~,300,nM,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:A:802,valid,Kd,~,300,nM,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,4Q15,,,,,,,
,,,MG:B:801,invalid,,,,,[Mg+2],
,,,MG:A:801,invalid,,,,,[Mg+2],
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,ANP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HFG:A:803,valid,ic50,=,275,nM,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:B:803,valid,ic50,=,275,nM,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,5IFU,,,,,,,
,,,FMT:A:805,invalid,,,,,C(=O)O,
,,,FMT:B:805,invalid,,,,,C(=O)O,
,,,FMT:A:804,invalid,,,,,C(=O)O,
,,,FMT:A:812,invalid,,,,,C(=O)O,
,,,FMT:A:809,invalid,,,,,C(=O)O,
,,,FMT:A:803,invalid,,,,,C(=O)O,
,,,FMT:A:808,invalid,,,,,C(=O)O,
,,,FMT:A:811,invalid,,,,,C(=O)O,
,,,FMT:A:806,invalid,,,,,C(=O)O,
,,,FMT:B:803,invalid,,,,,C(=O)O,
,,,FMT:A:807,invalid,,,,,C(=O)O,
,,,FMT:A:810,invalid,,,,,C(=O)O,
,,,FMT:B:802,invalid,,,,,C(=O)O,
,,,FMT:B:804,invalid,,,,,C(=O)O,
,,,GBM:B:801,valid,ic50,=,34,uM,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,
,,,GBM:A:801,valid,ic50,=,34,uM,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,CL:A:802,invalid,,,,,[Cl-],
,,4WI1,,,,,,,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,IMD:A:810,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:809,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:A:811,invalid,,,,,[Cl-],
,,,MG:A:809,Part of Protein,,,,,[Mg+2],
,,,3O6:A:801,valid,ic50,=,5,uM,Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F,
,,,3O6:B:801,valid,ic50,=,5,uM,Cn1c(c(c(n1)C(F)(F)F)c2ccc(cc2)F)NC(=O)Nc3ccc(cc3)F,
,Family. Representative Entry is ,3IAL,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,PR8:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N,
,,,PR8:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N,
,Family. Representative Entry is ,2J3M,,,,,,,
,,,ATP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:1567,Part of Protein,,,,,[Mn+2],
,,,MN:A:1568,Part of Protein,,,,,[Mn+2],
,,,MN:B:1567,Part of Protein,,,,,[Mn+2],
,,,MN:B:1568,Part of Protein,,,,,[Mn+2],
,,,MN:B:1569,Part of Protein,,,,,[Mn+2],
,,,MN:B:1570,Part of Protein,,,,,[Mn+2],
,,,PRI:A:1566,valid,,,,,C1C[C@H](NC1)C=O,
,,,PRI:B:1566,valid,,,,,C1C[C@H](NC1)C=O,
,,2J3L,,,,,,,
,,,P5A:A:1576,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N,
,,,P5A:B:1582,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N,
,,,SO4:A:1566,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1567,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1568,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1569,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1570,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1572,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1573,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1572,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1573,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1577,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1578,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1579,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1581,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2I4O,,,,,,,
,,,ATP:A:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:441,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:A:440,Part of Protein,,,,,[Mg+2],
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:439,Part of Protein,,,,,[Mg+2],
,,,MG:B:440,Part of Protein,,,,,[Mg+2],
,,,MG:B:441,Part of Protein,,,,,[Mg+2],
,,,MG:C:439,Part of Protein,,,,,[Mg+2],
,,,MG:C:440,Part of Protein,,,,,[Mg+2],
4.1.1.7,,,,,,,,,
,Family. Representative Entry is ,3FSJ,,,,,,,
,,,CA:X:600,Part of Protein,,,,,[Ca+2],
,,,D7K:X:601,valid,Kd,=,0.113,mM,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,4GM1,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,TZD:A:606,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,1YNO,,,,,,,
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,CA:A:533,Part of Protein,,,,,[Ca+2],
,,,CA:A:534,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TZD:A:530,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,4GM0,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,TZD:A:601,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,4GG1,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,TZD:A:601,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,3FZN,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:A:709,invalid,,,,,[Cl-],
,,,CL:A:710,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:B:708,invalid,,,,,[Cl-],
,,,CL:C:707,invalid,,,,,[Cl-],
,,,CL:C:711,invalid,,,,,[Cl-],
,,,CL:D:706,invalid,,,,,[Cl-],
,,,D7K:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,D7K:B:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,D7K:C:604,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,D7K:D:603,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:606,Part of Protein,,,,,[Mg+2],
,,,MG:C:607,Part of Protein,,,,,[Mg+2],
,,,MG:D:608,Part of Protein,,,,,[Mg+2],
,,,PEG:C:715,invalid,,,,,C(COCCO)O,
,,,PEG:C:716,invalid,,,,,C(COCCO)O,
,,,PEG:D:718,invalid,,,,,C(COCCO)O,
,,,PO4:A:712,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:713,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:714,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4GPE,,,,,,,
,,,TZD:A:605,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,4MQ5,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,TPP:A:603,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,NA:A:605,invalid,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,1PI3,,,,,,,
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,CA:A:533,Part of Protein,,,,,[Ca+2],
,,,CA:A:534,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TZD:A:530,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,1BFD,,,,,,,
,,,CA:A:529,Part of Protein,,,,,[Ca+2],
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TPP:A:530,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2FWN,,,,,,,
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,CA:A:533,Part of Protein,,,,,[Ca+2],
,,,CA:A:534,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TDP:A:530,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1PO7,,,,,,,
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,CA:A:533,Part of Protein,,,,,[Ca+2],
,,,CA:A:534,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TZD:A:530,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,3F6B,,,,,,,
,,,8PA:X:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C=Cc3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:X:601,invalid,,,,,[Mg+2],
,,4JD5,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,TZD:A:601,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,4GP9,,,,,,,
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,TZD:A:602,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,4GM4,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,TZD:A:605,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,3F6E,,,,,,,
,,,8PA:X:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C=Cc3cccnc3)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:X:601,invalid,,,,,[Mg+2],
,,4MPR,,,,,,,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:609,Part of Protein,,,,,[Na+],
,,,TPP:A:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1Q6Z,,,,,,,
,,,CA:A:532,Part of Protein,,,,,[Ca+2],
,,,CA:A:533,Part of Protein,,,,,[Ca+2],
,,,CA:A:534,Part of Protein,,,,,[Ca+2],
,,,MG:A:531,Part of Protein,,,,,[Mg+2],
,,,TZD:A:530,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,6QSI,,,,,,,
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,TPP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
2.3.1.18,,,,,,,,,
,Family. Representative Entry is ,1KRR,,,,,,,
,,,ACO:A:204,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:205,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:206,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3VBK,,,,,,,
,,,0FX:A:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:C:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:E:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,BCT:A:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:453,invalid,,,,,C(=O)(O)[O-],
,,,CL:A:190,invalid,,,,,[Cl-],
,,,COA:A:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,3VBN,,,,,,,
,,,CL:A:190,invalid,,,,,[Cl-],
,,,COA:A:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,TYD:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3VBL,,,,,,,
,,,0FX:A:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:C:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:E:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,BCT:A:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:453,invalid,,,,,C(=O)(O)[O-],
,,,CL:A:190,invalid,,,,,[Cl-],
,,,COA:A:189,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:189,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,3VBJ,,,,,,,
,,,3HC:A:310,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,3HC:C:310,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,3HC:E:310,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,CL:A:189,invalid,,,,,[Cl-],
,,,TYD:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3VBP,,,,,,,
,,,CL:C:190,invalid,,,,,[Cl-],
,,,COA:A:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,TYD:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3VBM,,,,,,,
,,,BCT:A:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:453,invalid,,,,,C(=O)(O)[O-],
,,,CL:C:190,invalid,,,,,[Cl-],
,,,COA:A:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:190,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,TYD:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3VBI,,,,,,,
,,,0FX:A:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:C:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:E:1500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,BCT:A:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:453,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:453,invalid,,,,,C(=O)(O)[O-],
,,,CL:E:190,invalid,,,,,[Cl-],
,,,COA:A:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:189,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
3.6.4.10,,,,,,,,,
,Family. Representative Entry is ,4B7P,,,,,,,
,,,9UN:A:1226,valid,Kd,=,0.346,nM,CN1CCC(CC1)NC(=O)c2cc(on2)c3c(cc(cc3Oc4ccc(cc4)[N+](=O)[O-])O)O,
,,6GQU,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1UY7,,,,,,,
,,,PU4:A:1224,valid,ic50,>,200,uM,CCCCn1c(nc2c1ncnc2N)Cc3ccc(cc3)OC,
,,3B24,,,,,,,
,,,B2J:A:237,valid,Kd,=,0.042,mM,CCSc1nc(nc(n1)N)C,
,,,B2J:B:2,valid,Kd,=,0.042,mM,CCSc1nc(nc(n1)N)C,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,3EKR,,,,,,,
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PY9:A:901,valid,Ki,=,0.03,uM,Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O,
,,,PY9:B:901,valid,Ki,=,0.03,uM,Cc1ccccc1[C@H]2CCCN2C(=O)c3ccc(cc3O)O,
,,5J9X,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,6GC:A:301,valid,Kd,=,0.000000064,M,CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F,
,,3R4N,,,,,,,
,,,FU5:A:901,valid,Ki,=,0.13,uM,Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F,
,,,FU5:B:901,valid,Ki,=,0.13,uM,Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F,
,,2YEG,,,,,,,
,,,XQG:B:1224,valid,,,,,CSc1c2c([nH]cn2)ncn1,
,,3OWD,,,,,,,
,,,MEY:A:1,valid,,,,,c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccc4c(c3)NC(=O)N4c5cc(c(cc5O)O)Cl,
,,5LNY,,,,,,,
,,,70K:A:301,valid,Kd,=,42,nM,CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCCC5,
,,3BMY,,,,,,,
,,,CXZ:A:1,valid,ic50,=,0.03,uM,c1cc2c(cc1NCCN3CCOCC3)c(no2)c4cc(c(cc4O)O)Cl,
,,3VHD,,,,,,,
,,,VHE:A:1,valid,Kd,=,0.52,nM,Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C,
,,,VHE:B:1,valid,Kd,=,0.52,nM,Cc1cc(c2cc1-c3cc(nc(n3)N)SCCC(=O)NCCCNC2=O)C,
,,2XJJ,,,,,,,
,,,GOL:A:1224,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1224,invalid,,,,,C(C(CO)O)O,
,,,L81:A:1225,valid,Kd,=,0.31,uM,CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C,
,,,L81:B:1225,valid,Kd,=,0.31,uM,CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C,
,,2YE3,,,,,,,
,,,VXX:A:1224,valid,,,,,COc1cc(ccc1O)C(=O)OC,
,,6GPH,,,,,,,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,A12:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6EL5,,,,,,,
,,,PU1:A:301,valid,Kd,=,0.000000064,M,COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N,
,,1UY8,,,,,,,
,,,PU5:A:1224,valid,ic50,=,75,uM,CCCCn1c(nc2c1ncnc2N)Cc3cccc(c3)OC,
,,3T10,,,,,,,
,,,ACP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,4CWR,,,,,,,
,,,HAJ:A:1224,valid,Ki,=,0.005,uM,c1cc2c(c(c1)F)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N,
,,3EKO,,,,,,,
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYU:A:901,valid,Ki,=,0.2,uM,c1ccn(c1)C(=O)c2c(cc(cc2O)O)O,
,,,PYU:B:901,valid,Ki,=,0.2,uM,c1ccn(c1)C(=O)c2c(cc(cc2O)O)O,
,,4XIP,,,,,,,
,,,40W:A:301,valid,Ki,=,235,nM,Cc1cn(c2c1C(=O)CC(C2)(C)C)c3ccc(cc3)C(=O)N,
,,1UYE,,,,,,,
,,,PU9:A:1224,valid,ic50,>,200,uM,COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCCC#C)N,
,,4O07,,,,,,,
,,,FGH:A:4000,valid,Ki,=,0.042,uM,CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C,
,,2JJC,,,,,,,
,,,DMS:A:1224,invalid,,,,,CS(=O)C,
,,,LGA:A:1225,valid,,,,,c1cnc(nc1)N,
,,2YI5,,,,,,,
,,,YI5:A:1226,valid,Kd,=,39,nM,COc1ccc(cc1OC)c2c(nns2)c3cc(c(cc3O)O)Cl,
,,1UY9,,,,,,,
,,,PU6:A:1224,valid,ic50,=,15.3,uM,CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4,
,,6EI5,,,,,,,
,,,B5Q:A:301,valid,Kd,=,3.83,nM,CNCc1ccccc1c2ccc3c(c2)c(nc(n3)N)C(=O)N4Cc5ccccc5C4,
,,3OWB,,,,,,,
,,,BSM:A:1,valid,,,,,CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,
,,2YKB,,,,,,,
,,,YKB:A:1224,valid,,,,,c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)CCC(=O)N)c4[nH]c5cnccc5n4,
,,2QG2,,,,,,,
,,,A91:A:300,valid,Ki,=,4,uM,Cc1cc(nc(n1)N)C#Cc2ccccc2CNN3C=COC3=O,
,,4EFT,,,,,,,
,,,EFT:A:301,valid,ic50,=,85,uM,c1cc2c(cc1O)[nH]nc2[C@@H](CC3CCCCC3)C#N,
,,2WI6,,,,,,,
,,,ZZ6:A:1224,valid,ic50,=,0.23,uM,CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc3Cl)Cl,
,,2YEH,,,,,,,
,,,2KU:A:1225,valid,,,,,COCCCNc1c2c([nH]cn2)ncn1,
,,,SO4:A:1224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GR5,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4L94,,,,,,,
,,,S46:A:301,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)O,
,,6GPP,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2YKE,,,,,,,
,,,YKE:A:1224,valid,,,,,c1cc(c2cccnc2c1)C(=O)NC3=C4C=CC=CC4=C5C3=CC=CC5c6[nH]c7cnccc7n6,
,,4O04,,,,,,,
,,,2Q8:A:4000,valid,Ki,=,0.69,uM,CC1(Cc2c(c3c(n2c4ccc(cc4)C(=O)N)CN(CC3)C)C(=O)C1)C,
,,2YE5,,,,,,,
,,,2A7:A:1224,valid,,,,,COc1cc(cc(c1)O)O,
,,3FT5,,,,,,,
,,,MO8:A:237,valid,ic50,=,15,uM,Cc1c2c(nc(n1)N)CCSC2,
,,2XDU,,,,,,,
,,,DMS:A:1226,invalid,,,,,CS(=O)C,
,,,LGA:A:1227,valid,,,,,c1cnc(nc1)N,
,,,MG:A:1225,invalid,,,,,[Mg+2],
,,,MT0:A:1228,valid,,,,,Cc1c2ccccc2c(nn1)Cl,
,,2YEB,,,,,,,
,,,2K4:A:1224,valid,,,,,c1cc2cn[nH]c2cc1O,
,,,CL:A:1225,invalid,,,,,[Cl-],
,,3B26,,,,,,,
,,,B2L:A:1,valid,Kd,=,0.23,uM,Cc1cc(nc(n1)N)c2ccc3c4c2cccc4COC3,
,,4XIQ,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,40Y:A:301,valid,Ki,=,86,nM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(cc4OCC2)C(=O)N,
,,3T0Z,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,6GQS,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,A12:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4L8Z,,,,,,,
,,,RL1:A:301,valid,ic50,=,18.7,uM,c1ccc2c(c1)CCN(C2)C(=O)c3cc(c(cc3O)O)c4nnc5n4cc(cc5)Br,
,,2YK9,,,,,,,
,,,YK9:A:1224,valid,,,,,c1ccc2c(c1)-c3c(cccc3C2=O)c4[nH]c5ccncc5n4,
,,6EYA,,,,,,,
,,,C4K:A:301,valid,Kd,=,33,nM,Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5,
,,5M4H,,,,,,,
,,,7FX:A:301,valid,,,,,c1cc(c(cc1O)O)C(=O)N2CC[C@H](n3c2ccn3)C(F)(F)F,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AWQ,,,,,,,
,,,592:A:1224,valid,ic50,=,479,nM,Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5,
,,,592:B:1224,valid,ic50,=,479,nM,Cc1c(cccc1OC)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5,
,,2VCJ,,,,,,,
,,,2EQ:A:1224,valid,ic50,=,0.021,uM,CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)CN4CCOCC4,
,,3RLR,,,,,,,
,,,3RR:A:901,valid,Ki,=,0.03,uM,Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N,
,,,3RR:B:901,valid,Ki,=,0.03,uM,Cc1c(c2c(nc(nc2[nH]1)C)c3cc(c(cc3Cl)Cl)OC)C#N,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XDX,,,,,,,
,,,WOE:A:1224,valid,Kd,=,0.35,uM,COc1ccccc1c2cc(nc(n2)N)Cl,
,,6ELO,,,,,,,
,,,BAW:A:301,valid,Kd,=,0.000000064,M,CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccccc3F,
,,3HEK,,,,,,,
,,,BD0:A:901,valid,Ki,=,5.4,nM,c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl,
,,,BD0:B:901,valid,Ki,=,5.4,nM,c1cc(ccc1C[N@]2CCC(C2)(F)F)[C@H]3CCC[NH+]3C(=O)c4cc(c(cc4O)O)Cl,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XHT,,,,,,,
,,,C0Y:A:1224,valid,Kd,=,1.1,uM,CC(C)(C)c1cc(ccc1O)C(=O)N2CCOCC2,
,,2YEE,,,,,,,
,,,2EC:A:1227,valid,,,,,CCn1cnc2c1ncnc2N,
,,,SO4:A:1225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3K98,,,,,,,
,,,1RC:A:901,valid,Ki,<,1,nM,CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl,
,,,1RC:B:901,valid,Ki,<,1,nM,CCNC(=O)[C@H]1c2ccccc2CN1C(=O)c3cc(c(cc3O)O)Cl,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3INX,,,,,,,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,JZC:A:2001,valid,ic50,=,0.022,uM,c1c(cc(c2c1C/C(=NOCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O)O,
,,2WI3,,,,,,,
,,,MG:A:1224,invalid,,,,,[Mg+2],
,,,ZZ3:A:1225,valid,ic50,=,350,uM,Cc1nc(nc(n1)SC)N,
,,3B27,,,,,,,
,,,B2T:A:1,valid,Kd,=,6.9,uM,CSc1nc(nc(n1)N)c2ccccc2Cl,
,,4BQG,,,,,,,
,,,50Q:A:1225,valid,,,,,c1cc(c(cc1Oc2cc(cc(c2)O)O)Cl)Cl,
,,1UYD,,,,,,,
,,,PU8:A:1224,valid,ic50,>,200,uM,CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3Cl)OC)OC)OC,
,,2FWZ,,,,,,,
,,,H71:A:1001,valid,ic50,=,50,nM,CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4,
,,2BYI,,,,,,,
,,,2DD:A:1226,valid,ic50,=,0.461,uM,c1cc(ccc1CNC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl)S(=O)(=O)N,
,,4XIT,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,40Z:A:301,valid,Ki,=,41,nM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4cc(c(cc4N(CC2)Cc5ccco5)C(=O)N)Cl,
,,3VHA,,,,,,,
,,,MES:A:1,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,VHA:A:237,valid,Kd,=,40,nM,Cc1ccc2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCCO2,
,,6U98,,,,,,,
,,,Q2D:A:301,valid,Ki,=,378,nM,c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6,
,,,NA:A:303,invalid,,,,,[Na+],
,,,K:A:302,Part of Protein,,,,,[K+],
,,5J8U,,,,,,,
,,,6DL:A:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F,
,,,6DL:B:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F,
,,5J6N,,,,,,,
,,,6FF:A:301,valid,,,,,CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F,
,,5FNC,,,,,,,
,,,SO4:A:1228,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IEE:A:1225,valid,Kd,=,77,uM,Cc1ccc(cc1)CNc2cc(nc(n2)N)Cl,
,,5J6M,,,,,,,
,,,6FJ:A:301,valid,Kd,=,0.000000064,M,CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F,
,,1UYG,,,,,,,
,,,PU2:A:1224,valid,ic50,=,53.5,uM,COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC,
,,3D0B,,,,,,,
,,,SNX:A:233,valid,Kd,=,0.29,uM,COCCNc1cc(ccc1C(=O)N)n2c3ccccc3c4c2CCCC4=O,
,,2WI4,,,,,,,
,,,ZZ4:A:1224,valid,ic50,=,1.56,uM,c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl)N,
,,2YEJ,,,,,,,
,,,MG:A:1224,invalid,,,,,[Mg+2],
,,,XQK:A:1225,valid,,,,,Cc1c(c([nH]n1)c2ccno2)C(=O)OC,
,,,ZZ3:A:1226,valid,,,,,Cc1nc(nc(n1)SC)N,
,,4AWO,,,,,,,
,,,99B:A:1225,valid,ic50,=,24,nM,CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5,
,,,99B:B:1225,valid,ic50,=,24,nM,CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)C5CC5,
,,1UYI,,,,,,,
,,,PUZ:A:1224,valid,ic50,=,4.1,uM,COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCCC#C)F)N)OC,
,,1BYQ,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,1UY6,,,,,,,
,,,PU3:A:1224,valid,ic50,>,200,uM,CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC,
,,4CWF,,,,,,,
,,,H05:A:1224,valid,Ki,=,32.4,uM,CCCc1nc2ccccc2c3n1nc(n3)N,
,,4W7T,,,,,,,
,,,3JC:A:301,valid,ic50,=,0.9,uM,Cc1c2c(nc(n1)N)C[C@@H](CC2=O)c3ccccc3,
,,2XJX,,,,,,,
,,,XJX:A:1232,valid,Kd,=,0.71,nM,CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccc(cc3C2)CN4CCN(CC4)C,
,,4AWP,,,,,,,
,,,99A:A:1224,valid,ic50,=,81,nM,Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N,
,,,99A:B:1224,valid,ic50,=,81,nM,Cc1cc(c(cc1C(=O)NC2C[C@H]3CC[C@@H](C2)N3c4ccc(cn4)C(=O)NCc5ccccc5)C)C(=O)N,
,,2XJG,,,,,,,
,,,XJG:A:1224,valid,Kd,=,0.015,uM,CC(C)c1cc(c(cc1OC)O)C(=O)N2Cc3ccccc3C2,
,,4CWT,,,,,,,
,,,IK9:A:1225,valid,Ki,=,0.179,uM,c1cc2c(cc1CC3=Nc4cc(cc(c4C5=NC(=N)NN35)NCCO)F)OCO2,
,,6CYG,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,N5O:A:301,valid,Kd,=,68,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N,
,,4O09,,,,,,,
,,,2R6:A:4000,valid,Ki,=,0.02,uM,Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)CC(C)C)C(=O)NCC4,
,,2BT0,,,,,,,
,,,CT5:A:1224,valid,ic50,=,5.7,uM,CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4,
,,,CT5:B:1224,valid,ic50,=,5.7,uM,CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4,
,,2QG0,,,,,,,
,,,A94:A:2001,valid,Ki,=,1.9,uM,Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)NC=C3/CCOC3=O,
,,,A94:B:2002,valid,Ki,=,1.9,uM,Cc1cc(nc(n1)N)CNS(=O)(=O)c2cccc(c2)NC=C3/CCOC3=O,
,,2XK2,,,,,,,
,,,ADP:A:1226,valid,Kd,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1225,Part of Protein,,,,,[Mg+2],
,,6HHR,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G5E:A:301,valid,,,,,c1ccc(c(c1)N2C(=NNC2=S)c3ccc(cc3O)O)F,
,,3R91,,,,,,,
,,,06H:A:1,valid,ic50,=,0.092,uM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](C(=O)N(CCC2)C)C)C(=O)N,
,,2CCS,,,,,,,
,,,4BH:A:1224,valid,ic50,=,2,uM,c1c(c(cc(c1Cl)O)O)c2c(cn[nH]2)N3CCNCC3,
,,2YKJ,,,,,,,
,,,YKJ:A:1224,valid,,,,,c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc(c4)N)c5[nH]c6cnccc6n5,
,,6OLX,,,,,,,
,,,KFY:A:301,valid,Kd,=,4.15,uM,C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC,
,,6GPY,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5OCI,,,,,,,
,,,9R8:A:301,valid,Kd,=,9,nM,Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc(cc4)N5CCOCC5,
,,4FCP,,,,,,,
,,,42C:A:301,valid,,,,,CN(C)c1c2c(nc[nH]2)ncn1,
,,,42C:B:301,valid,,,,,CN(C)c1c2c(nc[nH]2)ncn1,
,,5J2X,,,,,,,
,,,6DL:A:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F,
,,3WHA,,,,,,,
,,,WHA:A:302,valid,Kd,=,0.48,nM,c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N,
,,,WHA:B:301,valid,Kd,=,0.48,nM,c1cc2c3c(c1)c(c(cc3COC2)Cl)c4nc(nc(n4)SCCCC(=O)N)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,6GR3,,,,,,,
,,,AN2:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6EY8,,,,,,,
,,,C4T:A:302,valid,Kd,=,1.55,uM,CN(Cc1ccc(cc1)Cl)C(=O)c2cc3c(cc2O)[nH]nc3Cc4ccccc4,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,2YEA,,,,,,,
,,,2A9:A:1224,valid,,,,,COc1ccc(cc1O)CO,
,,2YI7,,,,,,,
,,,BZ8:A:1225,valid,Kd,=,4.8,nM,CCOc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl,
,,,MG:A:1226,invalid,,,,,[Mg+2],
,,2YE2,,,,,,,
,,,SO4:A:1224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XQI:A:1225,valid,,,,,COC(=O)Cc1cc(cc(c1)O)O,
,,6F1N,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C8W:A:302,valid,Kd,=,0.000000064,M,COc1ccc(cc1OCCCC(=O)O)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N,
,,4CWO,,,,,,,
,,,T62:A:1226,valid,Ki,=,6.1,uM,c1ccc2c(c1)c3nc(nn3c(n2)Cc4cc(cc(c4)O)O)N,
,,5J8M,,,,,,,
,,,6DL:A:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F,
,,,6DL:B:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3cc(c(cc3O)O)Br)F,
,,4U93,,,,,,,
,,,990:A:301,valid,ic50,=,0.013,uM,Cc1c2c(nc(n1)N)C[C@@H](NC2=O)c3ccc(cc3c4cccc(n4)OC)F,
,,4CWS,,,,,,,
,,,G3R:A:1224,valid,Ki,=,0.012,uM,c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)NCCO)OCO2,
,,2BYH,,,,,,,
,,,2D7:A:1226,valid,ic50,=,0.258,uM,CC(=O)c1ccc(cc1)NC(=O)c2cn[nH]c2c3cc(c(cc3O)O)Cl,
,,4EGI,,,,,,,
,,,B2J:A:301,valid,ic50,=,150,uM,CCSc1nc(nc(n1)N)C,
,,1OSF,,,,,,,
,,,ACY:A:400,invalid,,,,,CC(=O)O,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,,KOS:A:280,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)/C)C)O)OC,
,,,MPD:A:300,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3K97,,,,,,,
,,,4CD:A:901,valid,Ki,=,10,nM,Cc1ccccc1[C@H]2CCCN2C(=O)c3cc(c(cc3O)O)Cl,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,2YED,,,,,,,
,,,ADE:A:1225,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,CL:A:1224,invalid,,,,,[Cl-],
,,6CEO,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,D57:A:301,valid,,,,,COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O,
,,2YKC,,,,,,,
,,,YKC:A:1224,valid,,,,,c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccncc4)c5[nH]c6cnccc6n5,
,,6GPT,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,A12:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5VYY,,,,,,,
,,,9QY:A:301,valid,Kd,=,0.62,uM,COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)Cl)O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,2WI2,,,,,,,
,,,DMS:A:1225,invalid,,,,,CS(=O)C,
,,,ZZ3:A:1226,valid,ic50,=,350,uM,Cc1nc(nc(n1)SC)N,
,,,ZZ3:B:1225,valid,ic50,=,350,uM,Cc1nc(nc(n1)SC)N,
,,6GPF,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2YE7,,,,,,,
,,,2GA:A:1224,valid,,,,,Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC,
,,1UYF,,,,,,,
,,,PU1:A:1224,valid,ic50,=,30,uM,COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N,
,,3VHC,,,,,,,
,,,MG:A:237,Part of Protein,,,,,[Mg+2],
,,,VHC:A:1,valid,Kd,=,1.3,nM,Cc1cc(c2cc1-c3cc(nc(n3)N)Sc4cccc(c4)OCCCNC2=O)C,
,,2YK2,,,,,,,
,,,YJW:A:1224,valid,,,,,Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3,
,,,YJX:A:1225,valid,,,,,c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4,
,,5J64,,,,,,,
,,,6G7:A:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)N2C(=NNC2=O)c3ccc(cc3O)O)F,
,,2XHR,,,,,,,
,,,C0P:A:1001,valid,Kd,=,0.0048,uM,c1c(c(cc(c1OCCN2CCOCC2)Cl)Cl)c3cc(nc(n3)N)Cl,
,,3R92,,,,,,,
,,,06J:A:1,valid,ic50,=,0.883,uM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)NC[C@H]5CCCN5CCC2)C(=O)N,
,,2CCT,,,,,,,
,,,2E1:A:1224,valid,ic50,=,6.3,uM,CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)N3CCNCC3,
,,4XIR,,,,,,,
,,,40X:A:301,valid,Ki,=,115,nM,CCC[C@H]1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,4CWN,,,,,,,
,,,6LV:A:1224,valid,Ki,=,2.6,uM,COc1cc(cc(c1)OC)Cc2nc3ccccc3c4n2nc(n4)N,
,,1YET,,,,,,,
,,,GDM:A:275,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,3QDD,,,,,,,
,,,94M:A:999,valid,Ki,=,1.7,nM,Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N,
,,6GPO,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,2H55,,,,,,,
,,,DZ8:A:1001,valid,,,,,CC(C)NCCCn1c(nc2c1nc(nc2N)F)Cc3cc4c(cc3I)OCO4,
,,1UYK,,,,,,,
,,,PUX:A:1224,valid,ic50,=,17.1,uM,CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO4,
,,2XDS,,,,,,,
,,,DMS:A:1224,invalid,,,,,CS(=O)C,
,,,MT0:A:1225,valid,,,,,Cc1c2ccccc2c(nn1)Cl,
,,2WI1,,,,,,,
,,,MG:A:1224,invalid,,,,,[Mg+2],
,,,ZZ2:A:1225,valid,ic50,>,4000,uM,Cc1cc(nc(n1)N)OCCOC,
,,4FCR,,,,,,,
,,,0TM:A:301,valid,Kd,=,0.4,nM,CN(C)C(=O)CSc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)OC)OC,
,,5FNF,,,,,,,
,,,SO4:A:1224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQL:A:1226,valid,Kd,=,700,uM,c1cc(cnc1)/C(=NO)/c2ccc(cc2O)O,
,,5J27,,,,,,,
,,,6FF:A:301,valid,Kd,=,0.000000064,M,CCCN(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F,
,,2YEC,,,,,,,
,,,SO4:A:1224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XQ0:A:1226,valid,,,,,Cc1c2ccc(cc2[nH]n1)O,
,,4CWQ,,,,,,,
,,,W2D:A:1224,valid,Ki,=,0.088,uM,c1cc2c(cc1Cc3nc4cc(ccc4c5n3nc(n5)N)S(=O)(=O)N)OCO2,
,,2YE4,,,,,,,
,,,2FY:A:1224,valid,,,,,CCC(=O)c1ccc(cc1O)O,
,,2BSM,,,,,,,
,,,BSM:A:1224,valid,ic50,=,1.5,uM,CCNC(=O)c1c(c([nH]n1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,
,,2YKI,,,,,,,
,,,YKI:A:1224,valid,Kd,=,0.35,nM,c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7cnccc7n6,
,,3RLQ,,,,,,,
,,,3RQ:A:901,valid,Ki,=,0.04,uM,Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC,
,,,3RQ:B:901,valid,Ki,=,0.04,uM,Cc1nc(c2c(c[nH]c2n1)C#N)c3cc(c(cc3Cl)Cl)OC,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3MNR,,,,,,,
,,,SD1:P:233,valid,,,,,Cc1cc2c(n1c3ccc(c(c3)Nc4cc(c(c(c4)OC)OC)OC)C(=O)N)CC(CC2=O)(C)C,
,,3K99,,,,,,,
,,,PFT:A:901,valid,Ki,=,60,nM,c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O,
,,,PFT:B:901,valid,Ki,=,60,nM,c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O,
,,,PFT:C:901,valid,Ki,=,60,nM,c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O,
,,,PFT:D:901,valid,Ki,=,60,nM,c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O,
,,5LNZ,,,,,,,
,,,70Z:A:301,valid,,,,,CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4,
,,5J20,,,,,,,
,,,6FJ:A:301,valid,Kd,=,0.000000064,M,CN(Cc1ccco1)C(=O)c2cc(c(cc2O)O)C3=NNC(=O)N3c4ccccc4F,
,,6GQR,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,APC:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,6U9A,,,,,,,
,,,Q2A:A:301,valid,Ki,=,164,nM,c1cc(cc(c1)S(=O)(=O)F)CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6,
,,2YEF,,,,,,,
,,,ANP:A:1228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1227,Part of Protein,,,,,[Mg+2],
,,3B28,,,,,,,
,,,B2X:A:237,valid,Kd,=,0.0034,uM,CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4,
,,,B2X:B:2,valid,Kd,=,0.0034,uM,CSc1nc(nc(n1)N)c2c3cccc4c3c(cc2Cl)COC4,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,3R4P,,,,,,,
,,,FU7:A:901,valid,Ki,=,0.011,uM,CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F,
,,,FU7:B:901,valid,Ki,=,0.011,uM,CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl)OCCn4cccn4)N)C1)(F)F,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4NH8,,,,,,,
,,,2LC:A:301,valid,Ki,=,3,nM,Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4,
,,6ELN,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,P4A:A:301,valid,Kd,=,0.000000064,M,Cc1c(c(n[nH]1)c2ccc(cc2O)O)c3ccc(cc3)OC,
,,2XDK,,,,,,,
,,,XDK:A:1226,valid,Kd,=,250,uM,c1cc(cnc1)c2ccnc(n2)N,
,,2VCI,,,,,,,
,,,2GJ:A:1225,valid,ic50,=,0.021,uM,CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4,
,,6CYH,,,,,,,
,,,N5A:A:301,valid,Kd,=,708,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCN)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,5M4E,,,,,,,
,,,7F9:A:301,valid,,,,,CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QTF,,,,,,,
,,,05S:A:1,valid,ic50,=,0.11,uM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H](CNCCC2)C)C(=O)N,
,,,DMS:A:237,invalid,,,,,CS(=O)C,
,,6EYB,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C3Z:A:301,valid,Kd,=,4.22,uM,c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5,
,,2WI5,,,,,,,
,,,ZZ5:A:1225,valid,ic50,=,0.9,uM,CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O)N)N)N)C#N,
,,2XAB,,,,,,,
,,,VHD:A:1224,valid,Kd,=,0.54,nM,CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2,
,,,VHD:B:1224,valid,Kd,=,0.54,nM,CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2,
,,2UWD,,,,,,,
,,,2GG:A:1228,valid,Kd,=,4.5,nM,CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC,
,,,MG:A:1225,Part of Protein,,,,,[Mg+2],
,,,MG:A:1226,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UYH,,,,,,,
,,,PU0:A:1224,valid,ic50,=,14.3,uM,CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)OC,
,,6GP8,,,,,,,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2XDL,,,,,,,
,,,2DL:A:1225,valid,Kd,=,790,uM,CCN(CC)C(=O)c1ccc(c(c1)OC)O,
,,5J82,,,,,,,
,,,6GV:A:301,valid,Kd,=,0.000000064,M,CC(C)N(C)S(=O)(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F,
,,4L91,,,,,,,
,,,X29:A:301,valid,,,,,c1cc2nnc(n2cc1Br)c3cc(c(cc3O)O)Cl,
,,6GR1,,,,,,,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6GQ6,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3RKZ,,,,,,,
,,,06T:A:1,valid,ic50,=,0.083,uM,Cc1c2n(c3c1C(=O)CC(C3)(C)C)-c4ccc(c(c4)N[C@H]([C@@H](CN(CC2)C(=O)[C@H](C)N)C)C)C(=O)N,
,,5LO0,,,,,,,
,,,70N:A:301,valid,,,,,CN1CCN(CC1)S(=O)(=O)c2cc(c(cc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5)F)F,
,,4EEH,,,,,,,
,,,HH6:A:301,valid,ic50,=,45,uM,c1cc(ccc1c2c3ccc(cc3[nH]n2)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YE8,,,,,,,
,,,2D3:A:1225,valid,,,,,Cc1c(c(n[nH]1)c2ccno2)C(=O)OC,
,,,MG:A:1224,invalid,,,,,[Mg+2],
,,2YI6,,,,,,,
,,,6QM:A:1225,valid,,,,,CCc1cc(c(cc1O)O)c2c(snn2)c3ccc(cc3)OCC,
,,,MG:A:1226,invalid,,,,,[Mg+2],
,,2YJX,,,,,,,
,,,YJX:A:1224,valid,,,,,c1ccc2c(c1)C3=C(CCCN3C2=O)c4[nH]c5cnccc5n4,
,,4CWP,,,,,,,
,,,TV2:A:1224,valid,Ki,=,0.17,uM,c1ccc2c(c1)c3nc(nn3c(n2)Cc4ccc5c(c4)OCO5)N,
,,4NH7,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,E0G:A:301,valid,Ki,=,4,nM,CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C,
,,,E0G:B:301,valid,Ki,=,4,nM,CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C,
,,6EY9,,,,,,,
,,,C4N:A:302,valid,Kd,=,1.24,uM,Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccc(cc4)Cl,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EFU,,,,,,,
,,,EFU:A:301,valid,ic50,=,0.25,uM,Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)Cc4ccccc4,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NYH,,,,,,,
,,,9EK:A:301,valid,Kd,=,18.7,nM,CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)n[nH]c4C(=O)N5CCCC5,
,,2YJW,,,,,,,
,,,YJW:A:1224,valid,,,,,Cc1c(c(no1)c2ccc(cc2O)O)c3ccccc3,
,,4O05,,,,,,,
,,,2Q9:A:4000,valid,Ki,=,0.037,uM,CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C,
,,3B25,,,,,,,
,,,B2K:A:1,valid,Kd,=,0.86,uM,Cc1ccc(cc1)S(=O)(=O)c2cc(nc(n2)N)C,
,,3OW6,,,,,,,
,,,MEX:A:1,valid,,,,,c1ccc2c(c1)NC(=O)N2c3ccc(cc3O)O,
,,3FT8,,,,,,,
,,,MOJ:A:237,valid,ic50,=,0.03,uM,Cc1c2c(nc(n1)N)C[C@@H](C/C2=NO)c3ccc(cc3c4cccnc4)F,
,,4EGH,,,,,,,
,,,0OY:A:302,valid,ic50,=,550,uM,c1cc(ccc1C(=O)N2CCOCC2)O,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,5ZR3,,,,,,,
,,,9J0:A:301,valid,ic50,=,98,nM,Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N,
,,,9J0:E:301,valid,ic50,=,98,nM,Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N,
,,,9J0:C:301,valid,ic50,=,98,nM,Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N,
,,,9J0:G:301,valid,ic50,=,98,nM,Cc1cc(ccc1n2c3c(c(ccn3)n4cc(nc4)c5cnn(c5)C)c(n2)C(C)C)C(=O)N,
,,3INW,,,,,,,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,JZB:A:2001,valid,ic50,=,0.039,uM,c1c(c2c(c(c1O)Cl)C/C(=NOCC(=O)N3CCCCC3)/C=C/CC/C=C/CCOC2=O)O,
,,3HHU,,,,,,,
,,,819:A:500,valid,ic50,=,41,nM,CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C,
,,,819:B:501,valid,ic50,=,41,nM,CCOC(=O)NCc1ccc(cc1)n2c(nnc2S)c3cc(c(cc3O)O)C(C)C,
,,6GPR,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,6N8X,,,,,,,
,,,KFY:A:301,valid,Kd,=,2,uM,C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC,
,,4BQJ,,,,,,,
,,,XKL:A:1225,valid,,,,,CCNC(=O)c1cc(on1)c2c(cc(cc2Oc3ccc(cc3)[N+](=O)[O-])O)O,
,,4O0B,,,,,,,
,,,2QA:A:4000,valid,Ki,=,0.005,uM,Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc4c(c(c3)C5CCCC5)C(=O)NCC4,
,,4JQL,,,,,,,
,,,VJ6:A:301,valid,ic50,=,1,uM,C[C@H]1/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)Nc2cc(cc(c2)OC)COC[C@@H]([C@@H]1OC)OC)C)OC(=O)N)OC(=O)N)C,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,1UYC,,,,,,,
,,,PU7:A:1224,valid,ic50,=,41,uM,CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC,
,,2YE9,,,,,,,
,,,2D4:A:1224,valid,,,,,c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O,
,,2FWY,,,,,,,
,,,H64:A:1001,valid,ic50,=,200,nM,CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3Br)OCO4,
,,3R4M,,,,,,,
,,,WOE:A:501,valid,Ki,=,1.2,uM,COc1ccccc1c2cc(nc(n2)N)Cl,
,,6ELP,,,,,,,
,,,BA8:A:301,valid,Kd,=,0.000000064,M,c1ccc(c(c1)n2c(ccn2)c3cc(c(cc3O)O)CCc4ccccn4)Cl,
,,5J86,,,,,,,
,,,6GW:A:301,valid,Kd,=,0.000000064,M,Cc1ccccc1N2C(=NNC2=O)c3cc(c(cc3O)O)C(=O)N(C)Cc4cccs4,
,,4EGK,,,,,,,
,,,RDC:A:301,valid,Kd,=,19,nM,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,5FND,,,,,,,
,,,SO4:A:1226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IQ5:A:1225,valid,Kd,=,320,uM,Cc1cc2c(cc1NC(=O)C)nc(s2)N,
,,3BM9,,,,,,,
,,,BXZ:A:1,valid,ic50,=,0.19,uM,c1cc2c(cc1O)onc2c3cc(c(cc3O)O)Br,
,,4FCQ,,,,,,,
,,,2N6:A:301,valid,Kd,=,0.156,uM,Cc1ccc(c(c1)C)c2c3c(c[nH]c3nc(n2)SC)C#N,
,,5GGZ,,,,,,,
,,,6TN:D:301,valid,ic50,=,0.056,uM,CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C,
,,,6TN:A:301,valid,ic50,=,0.056,uM,CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C,
,,,6TN:B:301,valid,ic50,=,0.056,uM,CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C,
,,,6TN:C:301,valid,ic50,=,0.056,uM,CCOc1ncc2c(n1)CCN(C2)C(=O)c3cc(c(cc3O)O)C(C)C,
,Family. Representative Entry is ,2YI0,,,,,,,
,,,MG:A:1226,invalid,,,,,[Mg+2],
,,,YI0:A:1225,valid,Kd,=,7.5,nM,COc1ccc(cc1)c2c(nns2)c3cc(c(cc3O)O)Cl,
,,2QFO,,,,,,,
,,,A13:A:900,valid,Kd,=,20,uM,Cc1cc(nc(n1)N)C(F)(F)F,
,,,A51:A:999,valid,Kd,=,150,uM,c1ccc(cc1)NC=C2/CCOC2=O,
,,2WI7,,,,,,,
,,,2KL:A:1224,valid,ic50,=,0.058,uM,CCNC(=O)c1cc2c(nc(nc2s1)N)c3cc(c(cc3Cl)Cl)OCCN4CCCC4,
,,2YEI,,,,,,,
,,,XQI:A:1225,valid,,,,,COC(=O)Cc1cc(cc(c1)O)O,
,,,XQK:A:1224,valid,,,,,Cc1c(c([nH]n1)c2ccno2)C(=O)OC,
,,5J6L,,,,,,,
,,,6GC:A:301,valid,Kd,=,0.000000064,M,CCCCN(C)C(=O)c1cc(c(cc1O)O)C2=NNC(=O)N2c3ccccc3F,
,,5ODX,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,9RZ:A:301,valid,Kd,=,195,nM,CN(c1ccc(cc1)N2CCOCC2)C(=O)c3cc4c(cc3O)[nH]nc4C(=O)N5CCC[C@@H](C5)OC,
,,3RLP,,,,,,,
,,,3RP:A:901,valid,Kd,=,0.084,uM,Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC,
,,,3RP:B:901,valid,Kd,=,0.084,uM,Cc1cc(nc(n1)N)c2cc(c(cc2Cl)Cl)OC,
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6EOF,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:603,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,7A4V,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6EOE,,,,,,,
,,,FLC:A:601,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ADP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1YC4,,,,,,,
,,,43P:A:301,valid,Kd,=,0.28,uM,CCc1cc(c(cc1O)O)c2c(c[nH]n2)c3c[nH]cn3,
,,1YC3,,,,,,,
,,,4BC:A:237,valid,Kd,=,0.68,uM,CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4,
,,1YC1,,,,,,,
,,,4BC:A:401,valid,Kd,=,0.68,uM,CCc1cc(c(cc1O)O)c2c(c([nH]n2)C(=O)O)c3ccc4c(c3)OCO4,
2.4.1.91,,,,,,,,,
,Family. Representative Entry is ,2C1X,,,,,,,
,,,B3P:A:1458,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,UDP:A:1457,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2C9Z,,,,,,,
,,,QUE:A:1458,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,UDP:A:1457,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2C1Z,,,,,,,
,,,KMP:A:1456,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,U2F:A:1457,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
1.4.1.1,,,,,,,,,
,Family. Representative Entry is ,2VHW,,,,,,,
,,,MG:A:1372,Part of Protein,,,,,[Mg+2],
,,,MG:B:1371,Part of Protein,,,,,[Mg+2],
,,,NAI:A:1373,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1372,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:1372,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:1371,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:1374,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:1374,valid,Kd,=,8.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2VHZ,,,,,,,
,,,NAI:A:1372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2VHX,,,,,,,
,,,MG:A:1372,Part of Protein,,,,,[Mg+2],
,,,MG:B:1372,Part of Protein,,,,,[Mg+2],
,,,MG:F:1374,Part of Protein,,,,,[Mg+2],
,,,NAD:E:1375,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1376,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYR:A:1373,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1373,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1371,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:1371,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:1374,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:1375,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,1OMO,,,,,,,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,NA:B:901,Part of Protein,,,,,[Na+],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1SAY,,,,,,,
,,,PYR:A:501,valid,,,,,CC(=O)C(=O)O,
,,1PJC,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.6.5.9,,,,,,,,,
,Family. Representative Entry is ,5YJW,,,,,,,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:616,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:617,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:619,invalid,,,,,C(COCCOCCO)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,SMA:A:625,valid,ic50,=,107,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:A:626,valid,ic50,=,107,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,P6G:A:607,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PE4:A:606,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PG4:A:612,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:613,invalid,,,,,C(COCCOCCOCCO)O,
,,,MES:A:624,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:623,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PEG:A:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:614,invalid,,,,,C(COCCO)O,
,,,PEG:A:615,invalid,,,,,C(COCCO)O,
,,4G74,,,,,,,
,,,FAD:A:607,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:A:608,Part of Protein,,,,,[Mg+2],
,,,MG:A:609,Part of Protein,,,,,[Mg+2],
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:A:611,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:607,Part of Protein,,,,,[Mg+2],
,,,MG:B:608,Part of Protein,,,,,[Mg+2],
,,,MG:B:609,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,TRT:A:603,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:604,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:605,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:604,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,UQ5:A:601,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ5:A:602,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ5:B:603,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ5:B:602,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,4G6G,,,,,,,
,,,FAD:A:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:607,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:606,Part of Protein,,,,,[Mg+2],
,,,MG:B:608,Part of Protein,,,,,[Mg+2],
,,,MG:B:609,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,MG:B:611,Part of Protein,,,,,[Mg+2],
,,,TRT:A:601,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:602,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:601,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:602,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:603,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:604,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,4G6H,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,NAI:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
2.3.1.47,,,,,,,,,
,Family. Representative Entry is ,1DJ9,,,,,,,
,,,KAM:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)CCCCCC(=O)O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
1.16.1.8,,,,,,,,,
,Family. Representative Entry is ,2QTZ,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:701,valid,Kd,=,35.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2QTL,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.4.21.21,,,,,,,,,
,Family. Representative Entry is ,5L2Z,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:306,invalid,,,,,C(C(CO)O)O,
,,,70C:H:301,valid,Ki,=,0.06,nM,Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCCCC6)C(=O)O)C,
,,5TQG,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:310,invalid,,,,,C(C(CO)O)O,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,7KS:H:301,valid,Ki,=,0.24,nM,C[C@@H]1CC(=O)Nc2ccc(c(c2)CN(C(=O)[C@@H](c3ccc(c1c3)OCC(F)F)Nc4ccc5c(c4)c(cnc5N)F)C)S(=O)(=O)C6CC6,
,,4X8V,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3Z9:H:301,valid,Ki,=,130,nM,CC(C)S(=O)(=O)c1ccc(cc1[C@H]2CCCN2C(=O)[C@@H](c3ccc(c(c3)OC)OC)Nc4ccc5c(c4)C(=O)NCC5)NC(=O)OC,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:306,invalid,,,,,C(C(CO)O)O,
,,4X8T,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,3Z8:H:301,valid,Ki,=,8.9,mM,c1cc2c(cc1Cl)C(=O)NCC2,
,,,GOL:H:306,invalid,,,,,C(C(CO)O)O,
,,5TQE,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,7KQ:H:301,valid,Ki,=,190,nM,CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)OCCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N,
,,4JZE,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,1NK:H:301,valid,ic50,=,0.007,uM,CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc4c(c3)ccnc4N)OC,
,,1W7X,,,,,,,
,,,413:H:1261,valid,Ki,=,0.004,uM,COc1cc(ccc1OCc2ccccc2)[C@H](C(=O)N[C@@H](c3ccccc3)C(=O)O)Nc4ccc(cc4)C(=N)N,
,,,CA:H:1260,Part of Protein,,,,,[Ca+2],
,,,GOL:H:1258,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1259,invalid,,,,,C(C(CO)O)O,
,,,SO4:H:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X8U,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,3ZB:H:301,valid,Ki,=,3.5,mM,c1cc2c(cc1Cl)cc([nH]2)C(=O)O,
,,4JYU,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,1OK:H:301,valid,Ki,=,10,nM,CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N,
,,4ISI,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,1GG:H:301,valid,Ki,=,7.3,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)C2CC(C3=C(N=C(C(=O)N23)NC4CCC4)Cl)(CC)CC)N,
,,4JZD,,,,,,,
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1NJ:H:302,valid,ic50,=,0.005,uM,[H]/N=C(c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N,
,,,1NJ:H:301,valid,ic50,=,0.005,uM,[H]/N=C(c1ccc(cc1)NC(=O)c2c(ccc(n2)OC)c3ccc(cc3C(=O)O)C(=O)N[C@H](CO)C(C)(C)C)/N,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,CA:H:303,invalid,,,,,[Ca+2],
,,5I46,,,,,,,
,,,67O:H:301,valid,,,,,Cc1cc2ccc1[C@H](COC(=O)Nc3cc(c(c(c3)F)O)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:H:306,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,4X8S,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,3Z7:H:301,valid,Ki,=,13,mM,COc1cc(ccc1O)Br,
,,5U6J,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,82J:H:301,valid,Ki,=,23,nM,CCc1cc2ccc1CCOC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4cccc(c4)C(=O)N)C)S(=O)(=O)C(C)C,
,,4ZXY,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4T1:H:301,valid,Ki,=,400,nM,c1cc2cc(c1)NC(=O)CCCc3ccc(cc3)[C@H](C(=O)NC2)Nc4ccc5c(c4)ccnc5N,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:306,invalid,,,,,C(C(CO)O)O,
,,5L2Y,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,70D:H:301,valid,Ki,=,0.14,nM,Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)c(cnc5N)F)C)C6(CCC6)C(=O)O)C,
,,4JYV,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,1OJ:H:301,valid,Ki,=,17,nM,CCOc1cc(ccc1OC(C)C)[C@H](C(=O)NS(=O)(=O)c2cccc(c2)S(=O)(=O)N)Nc3ccc4cnccc4c3,
,,4YT7,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,4K1:H:301,valid,Ki,=,1.7,nM,[H]/N=C(c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4C(=O)N)/N,
,,4NA9,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,1T7:H:301,valid,Ki,=,41,nM,[H]/N=C(c1ccc2c(c1)[C@H](C[C@H](N2)c3cc(cc(c3)N)c4ccccc4C(=O)O)c5ccccc5)/N,
,,4JZF,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,1NL:H:301,valid,ic50,=,0.175,uM,CC(C)(C)[C@@H](CO)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3cccc(c3)C(=O)N)OC,
,,5TQF,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,7KR:H:301,valid,Ki,<,5,nM,CN1Cc2cc(ccc2S(=O)(=O)C3CC3)NC(=O)CCc4cccc(c4)[C@H](C1=O)Nc5ccc6c(c5)ccnc6N,
,,2BZ6,,,,,,,
,,,346:H:1258,valid,Ki,=,0.081,uM,[H]/N=C(c1ccc(cc1)N[C@H](c2cc(cc(c2F)O[C@@H]3CCOC3)OCC)C(=O)O)/N,
,,,CA:H:1260,Part of Protein,,,,,[Ca+2],
,,,SO4:H:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ISH,,,,,,,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,1GE:H:301,valid,Ki,=,1.9,nM,[H]/N=C(c1ccc2c(c1)[C@H]3c4ccccc4C[C@H]3[C@@H](N2)c5cc(c(cc5c6ccc(cc6)C(=O)O)O)OC)/N,
,,4YT6,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,4JY:H:301,valid,Ki,=,11,nM,[H]/N=C(c1ccc(cc1)N[C@H](c2cc(cc(c2F)OC(C)C)OCC)c3[nH]cc(n3)c4ccccc4)/N,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,5L30,,,,,,,
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,70A:H:301,valid,,,,,Cc1cc2ccc1[C@H](COC(=O)Nc3ccc(c(c3)CN(C(=O)[C@@H]2Nc4ccc5c(c4)ccnc5N)C)C6(CC6)c7[nH]nnn7)C,
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2EC9,,,,,,,
,,,24X:H:999,valid,ic50,=,0.0043,uM,[H]/N=C(/c1ccc(nc1)NCc2cc(ccc2c3ccc(cc3C(=O)O)C(=O)NCC(C)C)C=C)N,
,,,ASO:L:1052,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:H:1001,Part of Protein,,,,,[Ca+2],
,,,CA:L:1002,Part of Protein,,,,,[Ca+2],
,,,CA:L:1003,Part of Protein,,,,,[Ca+2],
,,,CA:L:1004,Part of Protein,,,,,[Ca+2],
,,,CA:L:1005,Part of Protein,,,,,[Ca+2],
,,,CA:L:1006,Part of Protein,,,,,[Ca+2],
,,,CA:L:1007,Part of Protein,,,,,[Ca+2],
,,,CA:L:1008,Part of Protein,,,,,[Ca+2],
,,,CA:L:1009,Part of Protein,,,,,[Ca+2],
,,,FUC:L:1060,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,2C4F,,,,,,,
,,,CA:L:201,Part of Protein,,,,,[Ca+2],
,,,CA:L:205,Part of Protein,,,,,[Ca+2],
,,,CA:L:204,Part of Protein,,,,,[Ca+2],
,,,CA:H:301,Part of Protein,,,,,[Ca+2],
,,,CA:L:206,Part of Protein,,,,,[Ca+2],
,,,FUC:L:203,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GIL:L:202,valid,ic50,=,20,nM,[H]/N=C(c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F)/N,
,,,GLC:H:302,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:U:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1YGC,,,,,,,
,,,905:H:1,valid,Ki,=,0.35,nM,[H]/N=C(/c1ccc(cc1O)N[C@H](c2cc(cc(c2F)OCC)OCC)C(=O)NS(=O)(=O)c3cccc(c3)N)N,
,,,CA:H:300,Part of Protein,,,,,[Ca+2],
,,,CA:H:538,Part of Protein,,,,,[Ca+2],
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KLI,,,,,,,
,,,BEN:H:300,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:H:900,Part of Protein,,,,,[Ca+2],
,,,GOL:H:1000,invalid,,,,,C(C(CO)O)O,
,,,SO4:H:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2B7D,,,,,,,
,,,C1B:H:258,valid,Ki,=,0.002,uM,[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3cc(cc(c3O)c4cc(ccc4O)CNC(=O)N)[C@@H](CC(=O)O)C(=O)O)N,
,,1WQV,,,,,,,
,,,BGC:L:1052,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:H:501,Part of Protein,,,,,[Ca+2],
,,,CA:L:502,Part of Protein,,,,,[Ca+2],
,,,CA:L:503,Part of Protein,,,,,[Ca+2],
,,,CA:L:504,Part of Protein,,,,,[Ca+2],
,,,CA:L:505,Part of Protein,,,,,[Ca+2],
,,,CA:L:506,Part of Protein,,,,,[Ca+2],
,,,CA:L:507,Part of Protein,,,,,[Ca+2],
,,,CA:L:508,Part of Protein,,,,,[Ca+2],
,,,CA:L:509,Part of Protein,,,,,[Ca+2],
,,,FUC:L:1060,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,PSM:H:1001,valid,ic50,=,130,nM,CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(=N)N,
,,1WUN,,,,,,,
,,,BGC:L:1052,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:H:1001,Part of Protein,,,,,[Ca+2],
,,,CA:L:1002,Part of Protein,,,,,[Ca+2],
,,,CA:L:1003,Part of Protein,,,,,[Ca+2],
,,,CA:L:1004,Part of Protein,,,,,[Ca+2],
,,,CA:L:1005,Part of Protein,,,,,[Ca+2],
,,,CA:L:1006,Part of Protein,,,,,[Ca+2],
,,,CA:L:1007,Part of Protein,,,,,[Ca+2],
,,,CA:L:1008,Part of Protein,,,,,[Ca+2],
,,,CA:L:1009,Part of Protein,,,,,[Ca+2],
,,,FUC:L:1060,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,P5B:H:2001,valid,ic50,=,62,nM,CCS(=O)(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N,
,,2A2Q,,,,,,,
,,,CA:H:1009,Part of Protein,,,,,[Ca+2],
,,,CA:L:1002,Part of Protein,,,,,[Ca+2],
,,,CA:L:1003,Part of Protein,,,,,[Ca+2],
,,,CA:L:1005,Part of Protein,,,,,[Ca+2],
,,,CA:L:1006,Part of Protein,,,,,[Ca+2],
,,,CA:L:1008,Part of Protein,,,,,[Ca+2],
,,,CL:H:1013,invalid,,,,,[Cl-],
,,,CL:H:1014,invalid,,,,,[Cl-],
,,,CL:T:1015,invalid,,,,,[Cl-],
,,,FUC:L:203,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GLC:L:201,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:L:1001,Part of Protein,,,,,[Mg+2],
,,,MG:L:1004,Part of Protein,,,,,[Mg+2],
,,,MG:L:1007,Part of Protein,,,,,[Mg+2],
,,,NA:H:1010,Part of Protein,,,,,[Na+],
,,,PBZ:H:1016,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,,,ZN:H:1011,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1012,Part of Protein,,,,,[Zn+2],
,,1Z6J,,,,,,,
,,,CA:H:400,Part of Protein,,,,,[Ca+2],
,,,CA:L:401,Part of Protein,,,,,[Ca+2],
,,,MG:L:402,Part of Protein,,,,,[Mg+2],
,,,PY3:H:403,valid,ic50,=,0.0094,uM,CC[C@@H](C)NC(=O)c1cc(cc(c1)N)C2=CN=C(C(=O)N2CC(=O)NCc3ccc(cc3C(=O)Nc4ccncc4)C(=N)N)NC(C)C,
,,2ZZU,,,,,,,
,,,359:H:1,valid,ic50,=,39,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc2c[nH]c3c2cc(cc3)OCc4cccc(c4)C(=O)O)NS(=O)(=O)CC)N,
,,,BGC:L:1052,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:H:1001,Part of Protein,,,,,[Ca+2],
,,,CA:L:1002,Part of Protein,,,,,[Ca+2],
,,,CA:L:1003,Part of Protein,,,,,[Ca+2],
,,,CA:L:1004,Part of Protein,,,,,[Ca+2],
,,,CA:L:1005,Part of Protein,,,,,[Ca+2],
,,,CA:L:1006,Part of Protein,,,,,[Ca+2],
,,,CA:L:1007,Part of Protein,,,,,[Ca+2],
,,,CA:L:1008,Part of Protein,,,,,[Ca+2],
,,,CA:L:1009,Part of Protein,,,,,[Ca+2],
,,,FUC:L:1060,Part of Protein,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,1W0Y,,,,,,,
,,,771:H:1258,valid,Ki,=,0.38,uM,COc1cc(c(cc1OCc2ccccc2)NS(=O)(=O)C)CNc3ccc(cc3)C(=N)N,
,,,BGC:L:1161,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:H:1259,Part of Protein,,,,,[Ca+2],
,,,CA:L:1153,Part of Protein,,,,,[Ca+2],
,,,CA:L:1154,Part of Protein,,,,,[Ca+2],
,,,CA:L:1155,Part of Protein,,,,,[Ca+2],
,,,CA:L:1156,Part of Protein,,,,,[Ca+2],
,,,CA:L:1157,Part of Protein,,,,,[Ca+2],
,,,CA:L:1158,Part of Protein,,,,,[Ca+2],
,,,CA:L:1159,Part of Protein,,,,,[Ca+2],
,,,CA:L:1160,Part of Protein,,,,,[Ca+2],
,,,CAC:H:1260,invalid,,,,,C[As](=O)(C)[O-],
,,,FUC:L:1143,Part of Protein,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,2FLR,,,,,,,
,,,7NH:H:258,valid,Ki,=,0.8,uM,c1cc(cc(c1)c2cccc(c2O)c3cc4cnccc4[nH]3)CNC(=O)N,
,,2AER,,,,,,,
,,,BEN:H:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:H:3009,Part of Protein,,,,,[Ca+2],
,,,CA:L:3002,Part of Protein,,,,,[Ca+2],
,,,CA:L:3003,Part of Protein,,,,,[Ca+2],
,,,CA:L:3005,Part of Protein,,,,,[Ca+2],
,,,CA:L:3006,Part of Protein,,,,,[Ca+2],
,,,CA:L:3008,Part of Protein,,,,,[Ca+2],
,,,CL:H:3013,invalid,,,,,[Cl-],
,,,CL:H:3014,invalid,,,,,[Cl-],
,,,CL:T:3015,invalid,,,,,[Cl-],
,,,FUC:L:2003,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GLC:L:2001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:L:3001,Part of Protein,,,,,[Mg+2],
,,,MG:L:3004,Part of Protein,,,,,[Mg+2],
,,,MG:L:3007,Part of Protein,,,,,[Mg+2],
,,,NA:H:3010,Part of Protein,,,,,[Na+],
,,,ZN:H:3011,Part of Protein,,,,,[Zn+2],
,,,ZN:H:3012,Part of Protein,,,,,[Zn+2],
,,1WTG,,,,,,,
,,,3BP:H:2001,valid,ic50,=,93,nM,CCS(=O)(=O)N[C@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N,
,,,BGC:L:1052,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:H:1001,Part of Protein,,,,,[Ca+2],
,,,CA:L:1002,Part of Protein,,,,,[Ca+2],
,,,CA:L:1003,Part of Protein,,,,,[Ca+2],
,,,CA:L:1004,Part of Protein,,,,,[Ca+2],
,,,CA:L:1005,Part of Protein,,,,,[Ca+2],
,,,CA:L:1006,Part of Protein,,,,,[Ca+2],
,,,CA:L:1007,Part of Protein,,,,,[Ca+2],
,,,CA:L:1008,Part of Protein,,,,,[Ca+2],
,,,CA:L:1009,Part of Protein,,,,,[Ca+2],
,,,FUC:L:1060,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,1JBU,,,,,,,
,,,BEN:H:300,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:H:308,invalid,,,,,[O-]S(=O)(=O)[O-],
1.3.1.8,,,,,,,,,
,Family. Representative Entry is ,1YXM,,,,,,,
,,,ADE:B:4002,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,PO4:B:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
2.6.1.37,,,,,,,,,
,Family. Representative Entry is ,1M32,,,,,,,
,,,PLP:A:4401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:4402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:4403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:4404,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:4405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:4406,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:B:4602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:4606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POA:A:4601,valid,,,,,C(C=O)P(=O)(O)O,
,,,POA:C:4603,valid,,,,,C(C=O)P(=O)(O)O,
4.3.2.2,,,,,,,,,
,Family. Representative Entry is ,2X75,,,,,,,
,,,AMP:A:1433,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:1435,invalid,,,,,[Cl-],
,,,OXL:A:1432,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,P6G:A:1434,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,2PTR,,,,,,,
,,,2SA:B:1100,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O,
,,,2SA:B:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O,
,,2PTQ,,,,,,,
,,,AMP:A:2200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:2100,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FUM:A:1200,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1100,valid,,,,,C(=C/C(=O)O)C(=O)O,
,Family. Representative Entry is ,5EYT,,,,,,,
,,,AMP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
2.5.1.18,,,,,,,,,
,Family. Representative Entry is ,1AXD,,,,,,,
,,,GGL CYW GLY:C:1,valid,,,,,S(C(=O)C(O)C)CC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],
,,,GGL CYW GLY:D:1,valid,,,,,S(C(=O)C(O)C)CC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],
,Family. Representative Entry is ,3IE3,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,N11:A:211,valid,Kd,=,0.21,uM,c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO,
,,,N11:B:211,valid,Kd,=,0.21,uM,c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO,
,,1AQX,,,,,,,
,,,GTD:A:2101,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTD:B:2201,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTD:C:2301,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTD:D:2401,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,MES:A:2500,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2600,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:2700,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:2800,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,13GS,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:213,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SAS:A:211,valid,Ki,=,24,uM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,,,SAS:B:211,valid,Ki,=,24,uM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,,17GS,,,,,,,
,,,GTX:A:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2A2S,,,,,,,
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CO3:B:1001,invalid,,,,,C(=O)([O-])[O-],
,,,GSN:A:1221,valid,Ka,=,3300,M^-1,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,,GSN:B:2221,valid,Ka,=,3300,M^-1,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,,MES:A:1220,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2220,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3CSH,,,,,,,
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CL:B:212,invalid,,,,,[Cl-],
,,,GSH:A:213,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:215,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LZ6:A:212,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,LZ6:B:214,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:213,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:B:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KBN,,,,,,,
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2201,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:1001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:1101,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2101,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1LBK,,,,,,,
,,,GSH:A:504,valid,Kd,=,668,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:503,valid,Kd,=,668,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PGT,,,,,,,
,,,EPE:A:212,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:211,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GPR:A:211,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPR:B:210,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,12GS,,,,,,,
,,,0HH:A:210,valid,,,,,CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,0HH:B:210,valid,,,,,CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,19GS,,,,,,,
,,,BSP:A:210,valid,,,,,c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O,
,,,BSP:B:210,valid,,,,,c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O,
,,,GSH:A:211,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:211,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3CSJ,,,,,,,
,,,CBL:B:211,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCCl)CCCl,
,,,CL:A:210,invalid,,,,,[Cl-],
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:210,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3GUS,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,N11:A:211,valid,Kd,=,0.9,uM,c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO,
,,,N11:B:211,valid,Kd,=,0.9,uM,c1cc(c2c(c1[N+](=O)[O-])non2)SCCCCCCO,
,,,SO4:B:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CSI,,,,,,,
,,,CA:B:211,Part of Protein,,,,,[Ca+2],
,,,CA:D:210,Part of Protein,,,,,[Ca+2],
,,,CA:D:211,Part of Protein,,,,,[Ca+2],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CL:B:214,invalid,,,,,[Cl-],
,,,CL:C:210,invalid,,,,,[Cl-],
,,,CL:D:212,invalid,,,,,[Cl-],
,,,CO3:B:210,invalid,,,,,C(=O)([O-])[O-],
,,,GSH:A:213,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:217,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:212,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:215,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LZ6:A:212,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,LZ6:B:216,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,LZ6:C:211,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,LZ6:D:214,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:215,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:213,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:B:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,10GS,,,,,,,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,VWW:A:210,valid,Ki,=,0.4,uM,c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,VWW:B:210,valid,Ki,=,0.4,uM,c1ccc(cc1)CSC[C@@H](C(=O)N[C@H](c2ccccc2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,3HJO,,,,,,,
,,,CA:A:212,Part of Protein,,,,,[Ca+2],
,,,CA:A:213,Part of Protein,,,,,[Ca+2],
,,,CA:A:214,Part of Protein,,,,,[Ca+2],
,,,CA:A:215,Part of Protein,,,,,[Ca+2],
,,,CA:B:212,Part of Protein,,,,,[Ca+2],
,,,CA:B:213,Part of Protein,,,,,[Ca+2],
,,,CO3:A:216,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:214,invalid,,,,,C(=O)([O-])[O-],
,,,EAA:A:211,valid,,,,,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,EAA:B:211,valid,,,,,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4PGT,,,,,,,
,,,GBX:A:211,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GBX:B:211,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2J9H,,,,,,,
,,,GTX:A:300,valid,Ki,=,410,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:300,valid,Ki,=,410,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,11GS,,,,,,,
,,,GSH EAA:A:210,valid,Ki,=,1.5,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,,GSH EAA:B:210,valid,Ki,=,1.5,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2GSS,,,,,,,
,,,EAA:A:0,valid,Ki,=,11.5,uM,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,EAA:B:0,valid,Ki,=,11.5,uM,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:210,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7GSS,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1AQW,,,,,,,
,,,GSH:A:2201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2101,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:2401,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:2301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:2500,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2600,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:2700,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:2800,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1PGT,,,,,,,
,,,EPE:A:211,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:211,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GTX:A:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3KM6,,,,,,,
,,,CA:A:210,Part of Protein,,,,,[Ca+2],
,,,CA:A:211,Part of Protein,,,,,[Ca+2],
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CA:B:211,Part of Protein,,,,,[Ca+2],
,,,CA:B:212,Part of Protein,,,,,[Ca+2],
,,,CA:B:213,Part of Protein,,,,,[Ca+2],
,,,EAA:A:222,valid,,,,,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,EAA:B:222,valid,,,,,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,GSH:A:221,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:221,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3PGT,,,,,,,
,,,GBX:A:214,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GBX:B:213,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,MES:A:215,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:216,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:214,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:215,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A2R,,,,,,,
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CO3:B:1001,invalid,,,,,C(=O)([O-])[O-],
,,,GSN:A:1221,valid,Ka,=,3300,M^-1,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,,GSN:B:2221,valid,Ka,=,3300,M^-1,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,,MES:A:1220,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2220,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1MD4,,,,,,,
,,,GSH:A:3001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:4001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4GSS,,,,,,,
,,,GTX:A:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3GSS,,,,,,,
,,,GSH EAA:A:211,valid,Ki,=,1.5,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,,GSH EAA:B:210,valid,Ki,=,1.5,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,,MES:A:213,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,18GS,,,,,,,
,,,GDN:A:210,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:210,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1PX6,,,,,,,
,,,GSH:A:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2002,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3DGQ,,,,,,,
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CL:B:211,invalid,,,,,[Cl-],
,,,EAA:A:211,valid,ic50,=,12,uM,CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O,
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:213,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:B:212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,9GSS,,,,,,,
,,,GTX:A:211,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DD3,,,,,,,
,,,GSH:A:212,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:211,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:210,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:210,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,RUC:A:211,invalid,,,,,[CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH]63,
,,1AQV,,,,,,,
,,,0HG:A:2201,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br,
,,,0HG:B:2101,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])Br,
,,,MES:A:2300,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2400,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6AP9,,,,,,,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:307,invalid,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,GDS:A:302,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:B:302,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,5JCW,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:307,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GVX:A:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GVX:B:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,GSH:A:308,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,5GSS,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6GSS,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1MD3,,,,,,,
,,,GSH:A:3001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:4001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,8GSS,,,,,,,
,,,GSH:A:211,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:211,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:B:211,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6LLX,,,,,,,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,5J41,,,,,,,
,,,3LF GSH:A:301,valid,Ki,=,199,uM,S(C(=CC(=O)[O-])c1cc(OC)c(OC)c(OC)c1)CC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],
,,,3LF GSH:B:301,valid,Ki,=,199,uM,S(C(=CC(=O)[O-])c1cc(OC)c(OC)c(OC)c1)CC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1PX7,,,,,,,
,,,CA:B:3001,Part of Protein,,,,,[Ca+2],
,,,GSH:A:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2002,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MES:A:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,1M0U,,,,,,,
,,,GSH:A:500,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1GWC,,,,,,,
,,,GTX:A:1225,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:1225,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:C:1226,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,SO4:A:1226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1227,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2C80,,,,,,,
,,,GTX:A:1212,valid,Kd,=,4.7,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:1213,valid,Kd,=,4.7,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,PG4:B:1212,invalid,,,,,C(COCCOCCOCCO)O,
,,1OE7,,,,,,,
,,,GSH:A:301,valid,Kd,=,9,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,Kd,=,9,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2CAQ,,,,,,,
,,,BME:A:1210,invalid,,,,,C(CS)O,
,,,GSH:A:1208,valid,Kd,=,285,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PG4:A:1209,invalid,,,,,C(COCCOCCOCCO)O,
,,2CA8,,,,,,,
,,,GSH:A:1212,valid,Kd,=,22,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PG4:A:1213,invalid,,,,,C(COCCOCCOCCO)O,
,,2F8F,,,,,,,
,,,GSH:A:212,valid,Kd,=,21,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,Kd,=,21,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1OE8,,,,,,,
,,,GSH:A:301,valid,Kd,=,9,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,Kd,=,9,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5G5F,,,,,,,
,,,PEG:A:1223,invalid,,,,,C(COCCO)O,
,,,PEG:A:1224,invalid,,,,,C(COCCO)O,
,,,PEG:A:1226,invalid,,,,,C(COCCO)O,
,,,PEG:A:1225,invalid,,,,,C(COCCO)O,
,,,GSH:A:1222,valid,Kd,=,5.2,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,5KEJ,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,GTX:A:301,valid,Kd,=,7.8,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:301,valid,Kd,=,7.8,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,2GSQ,,,,,,,
,,,GBI:A:203,valid,,,,,c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GBI:A:204,valid,,,,,c1cc(cc(c1)I)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GSQ,,,,,,,
,,,GDN:A:203,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6ZJC,,,,,,,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,QLT:C:302,valid,ic50,=,9.6,uM,CC[Sn](CC)(CC)Br,
,,,QLT:A:302,valid,ic50,=,9.6,uM,CC[Sn](CC)(CC)Br,
,,,QLT:D:302,valid,ic50,=,9.6,uM,CC[Sn](CC)(CC)Br,
,,,QLT:B:302,valid,ic50,=,9.6,uM,CC[Sn](CC)(CC)Br,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,6ZJ9,,,,,,,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1R4W,,,,,,,
,,,GSH:A:301,valid,Kd,=,90,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:401,valid,Kd,=,90,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:801,valid,Kd,=,90,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:901,valid,Kd,=,90,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2VO4,,,,,,,
,,,4NM:A:1221,valid,,,,,c1cc(ccc1CS)[N+](=O)O,
,,,4NM:B:1221,valid,,,,,c1cc(ccc1CS)[N+](=O)O,
,,,GOL:A:1222,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1222,invalid,,,,,C(C(CO)O)O,
,,,GTB:A:1220,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:B:1220,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,5AGY,,,,,,,
,,,GTB:A:1222,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:B:1220,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,PO4:B:1222,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1223,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4NM:B:1221,valid,,,,,c1cc(ccc1CS)[N+](=O)O,
,,,4NM:A:1220,valid,,,,,c1cc(ccc1CS)[N+](=O)O,
,,,4NM:A:1221,valid,,,,,c1cc(ccc1CS)[N+](=O)O,
,,4CHS,,,,,,,
,,,GS8:A:1217,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GS8:B:1219,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ACN:B:1220,invalid,,,,,CC(=O)C,
,Family. Representative Entry is ,3IK7,,,,,,,
,,,BOB:A:501,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:B:502,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:C:503,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:D:504,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,SO4:D:551,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1YDK,,,,,,,
,,,GTX:A:5100,valid,Kd,=,1.3,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,Kd,=,1.3,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3L0H,,,,,,,
,,,GTX:A:5100,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,1USB,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,GSH:A:1001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,K:A:3001,Part of Protein,,,,,[K+],
,,,K:B:3001,Part of Protein,,,,,[K+],
,,2WJU,,,,,,,
,,,GSH:A:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3IK9,,,,,,,
,,,BOB:A:501,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:B:502,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:C:503,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:D:504,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:E:505,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:F:506,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:G:507,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,BOB:H:508,valid,,,,,CCCCC[C@H]([C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,2R3X,,,,,,,
,,,GTX:A:5100,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,1TDI,,,,,,,
,,,GSH:A:223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2VCV,,,,,,,
,,,ASD:A:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:B:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:D:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:E:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:F:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:G:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:H:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:I:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:K:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:L:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:P:1224,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,GSH:A:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:I:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:J:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:K:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:L:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:M:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:N:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:O:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:P:1223,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3KTL,,,,,,,
,,,GTX:A:5100,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,1K3L,,,,,,,
,,,GTX:A:5100,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,6YAW,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,P9H:A:301,valid,,,,,c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,P9H:B:502,valid,,,,,c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,1PL2,,,,,,,
,,,ABY:A:654,valid,,,,,COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN,
,,,ABY:B:655,valid,,,,,COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,1K3Y,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3003,invalid,,,,,C(C(CO)O)O,
,,,GTX:A:5100,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:5200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,4ACS,,,,,,,
,,,GSH:A:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:230,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3I69,,,,,,,
,,,GSH:B:5102,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:5104,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3I6A,,,,,,,
,,,GSH:A:5101,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:5102,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:5103,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:5104,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:5105,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:5106,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:5107,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:5108,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1PKW,,,,,,,
,,,GSH:A:654,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:655,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,HED:A:657,invalid,,,,,C(CSSCCO)O,
,,,HED:B:659,invalid,,,,,C(CSSCCO)O,
,,6ATR,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,BWS:A:301,valid,,,,,C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,BWS:B:301,valid,,,,,C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSN:B:302,valid,,,,,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,,GSN:A:302,valid,,,,,C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])N,
,,1GSE,,,,,,,
,,,BME:A:225,invalid,,,,,C(CS)O,
,,,BME:A:226,invalid,,,,,C(CS)O,
,,,BME BME:B:225,invalid,,,,,,
,,,GSH EAA:A:223,valid,ic50,~,1.8,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,,GSH EAA:B:223,valid,ic50,~,1.8,uM,Clc1c(Cl)c(C(=O)C(CSCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC)ccc1OCC(=O)[O-],
,,5JCU,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,GVX:A:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GVX:C:303,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GVX:D:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GVX:B:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,1PL1,,,,,,,
,,,ABY:A:654,valid,,,,,COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN,
,,,ABY:B:655,valid,,,,,COc1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CCCN,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,4HJ2,,,,,,,
,,,LZ6:B:301,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,,LZ6:A:301,valid,,,,,c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl,
,,1AGS,,,,,,,
,,,GTX:A:222,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:222,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,6ATO,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2VCT,,,,,,,
,,,ASD:A:1223,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:B:1223,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:C:1223,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:D:1223,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,Family. Representative Entry is ,3O76,,,,,,,
,,,GTB:A:210,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:B:210,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,1GLQ,,,,,,,
,,,GTB:A:210,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:B:210,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,2GLR,,,,,,,
,,,GTX:A:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:210,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,1GLP,,,,,,,
,,,GTS:A:210,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:210,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1GSY,,,,,,,
,,,GSH:A:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:210,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1B4P,,,,,,,
,,,GPS:A:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:A:219,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:223,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1XW6,,,,,,,
,,,GSH:A:750,valid,Kd,=,2.4,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:751,valid,Kd,=,2.4,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:752,valid,Kd,=,2.4,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:753,valid,Kd,=,2.4,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1XWK,,,,,,,
,,,GDN:A:218,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:219,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:C:220,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,1YJ6,,,,,,,
,,,GSH:A:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:219,invalid,,,,,[Zn+2],
,,,ZN:C:219,invalid,,,,,[Zn+2],
,,,ZN:B:219,invalid,,,,,[Zn+2],
,Family. Representative Entry is ,2PVQ,,,,,,,
,,,GSH:A:5204,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2NTO,,,,,,,
,,,GSH:A:204,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VWX,,,,,,,
,,,GSH:C:700,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:600,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:500,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2IMI,,,,,,,
,,,GSH:A:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:226,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2IMK,,,,,,,
,,,GTX:A:302,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3ZMK,,,,,,,
,,,GSH:D:1222,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1221,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4GSN,,,,,,,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,1PE:A:302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,3ZML,,,,,,,
,,,GSH:B:1222,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1222,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1TU7,,,,,,,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:1001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1002,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1TU8,,,,,,,
,,,GTX:A:2001,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:2002,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:C:2004,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:D:2003,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,4YH2,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4PNF,,,,,,,
,,,GSH:C:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1DUG,,,,,,,
,,,GSH:A:1239,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1587,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3D0Z,,,,,,,
,,,GSH:A:215,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3CRU,,,,,,,
,,,GSH:A:215,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1GNE,,,,,,,
,,,GSH:A:233,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1UA5,,,,,,,
,,,GSH:A:1002,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M9A,,,,,,,
,,,GTX:A:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3CRT,,,,,,,
,,,GSH:A:215,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1M99,,,,,,,
,,,GTS:A:220,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6F05,,,,,,,
,,,GTS:I:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:A:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:G:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:J:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:E:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:F:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:C:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:D:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:H:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:301,valid,Ki,=,34,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:I:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,6EZY,,,,,,,
,,,GS8:B:302,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,BR:B:303,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,6F01,,,,,,,
,,,BR:B:304,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GTS:B:301,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GS8:B:303,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1V2A,,,,,,,
,,,GTS:A:1001,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:2001,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:C:3001,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:D:4001,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2AAW,,,,,,,
,,,DTL:C:224,invalid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,GTX:A:220,valid,Ki,=,35,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:C:221,valid,Ki,=,35,uM,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,P33:A:222,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:C:223,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,1Q4J,,,,,,,
,,,GTX:A:212,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:212,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,1ML6,,,,,,,
,,,GBX:A:230,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GBX:B:530,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,IPA:A:235,invalid,,,,,CC(C)O,
,,,IPA:B:236,invalid,,,,,CC(C)O,
,,1EV9,,,,,,,
,,,GTS:A:230,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:C:240,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:D:250,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EV4,,,,,,,
,,,GTS:A:230,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:C:240,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:D:250,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1F3A,,,,,,,
,,,GSH:A:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:226,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1F3B,,,,,,,
,,,GBX:A:223,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GBX:B:224,valid,,,,,c1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H](C(=O)C4=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3GST,,,,,,,
,,,GPR:A:223,valid,Ki,=,0.19,uM,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPR:B:220,valid,Ki,=,0.19,uM,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GSY,,,,,,,
,,,GSH:A:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2GST,,,,,,,
,,,GPS:A:220,valid,Ki,=,0.85,uM,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:B:218,valid,Ki,=,0.85,uM,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FWG,,,,,,,
,,,GPR:A:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPR:B:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,6GST,,,,,,,
,,,GSH:A:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3FYG,,,,,,,
,,,GPR:A:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPR:B:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,5GST,,,,,,,
,,,GDN:A:219,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:218,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GSU,,,,,,,
,,,GPS:A:221,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:B:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MTC,,,,,,,
,,,GPR:A:5218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPR:B:6218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,6GSV,,,,,,,
,,,GPS:A:220,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:B:219,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GSW,,,,,,,
,,,GPS:A:221,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:B:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GST,,,,,,,
,,,GTD:A:222,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTD:B:220,valid,,,,,C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GSX,,,,,,,
,,,GPS:A:221,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GPS:B:218,valid,,,,,c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ZL9,,,,,,,
,,,GSH:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6RIV,,,,,,,
,,,NA:B:506,invalid,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NA:A:504,invalid,,,,,[Na+],
,,,NA:A:503,invalid,,,,,[Na+],
,,,NA:B:504,invalid,,,,,[Na+],
,,,NA:A:505,invalid,,,,,[Na+],
,,,GS8:B:501,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GS8:A:501,valid,,,,,C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:502,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:502,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,2C4J,,,,,,,
,,,GSO:A:1219,valid,,,,,c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,GSO:B:1219,valid,,,,,c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,GSO:C:1219,valid,,,,,c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,,GSO:D:1219,valid,,,,,c1ccc(cc1)[C@@H](CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O,
,,1YKC,,,,,,,
,,,GDS:A:400,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:B:401,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3GUR,,,,,,,
,,,BYG:A:218,valid,,,,,C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,BYG:C:218,valid,,,,,C1C=C(c2c(non2)[C@]1(SCCCCCCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,EDO:C:219,invalid,,,,,C(CO)O,
,,,GSH:B:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:218,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2AB6,,,,,,,
,,,GSM:A:1218,valid,,,,,CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSM:B:2218,valid,,,,,CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSM:C:3218,valid,,,,,CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSM:D:4218,valid,,,,,CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,1HNA,,,,,,,
,,,GDN:A:218,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,1XW5,,,,,,,
,,,GSH:A:471,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:472,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6T2T,,,,,,,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1N2A,,,,,,,
,,,GTS:A:301,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:401,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1A0F,,,,,,,
,,,GTS:A:203,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:203,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4IS0,,,,,,,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1R4:A:905,valid,,,,,c1cc(ccc1C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,DTT:A:904,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GDS:A:903,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3LFL,,,,,,,
,,,DTT:A:242,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:242,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:241,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GSH:A:241,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:241,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:242,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3IBH,,,,,,,
,,,GSH:A:234,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,3ERG,,,,,,,
,,,GTS:A:234,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:234,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1JLV,,,,,,,
,,,GSH:A:701,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:702,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:703,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:706,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:705,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:704,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2C3Q,,,,,,,
,,,GTX:A:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:C:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:D:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:B:401,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:B:407,invalid,,,,,[I-],
,,,IOD:B:408,invalid,,,,,[I-],
,,,IOD:B:409,invalid,,,,,[I-],
,,,IOD:C:401,invalid,,,,,[I-],
,,,IOD:C:402,invalid,,,,,[I-],
,,,IOD:C:403,invalid,,,,,[I-],
,,,IOD:C:404,invalid,,,,,[I-],
,,,IOD:C:405,invalid,,,,,[I-],
,,,IOD:C:406,invalid,,,,,[I-],
,,,IOD:C:407,invalid,,,,,[I-],
,,,IOD:C:408,invalid,,,,,[I-],
,,,IOD:D:401,invalid,,,,,[I-],
,,,IOD:D:402,invalid,,,,,[I-],
,,,IOD:D:403,invalid,,,,,[I-],
,,,IOD:D:404,invalid,,,,,[I-],
,,,IOD:D:405,invalid,,,,,[I-],
,,,IOD:D:406,invalid,,,,,[I-],
,,,IOD:D:407,invalid,,,,,[I-],
,Family. Representative Entry is ,5LOL,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1PN9,,,,,,,
,,,GTX:A:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:302,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,1NKI,,,,,,,
,,,K:A:3002,Part of Protein,,,,,[K+],
,,,K:B:3001,Part of Protein,,,,,[K+],
,,,MN:A:4004,Part of Protein,,,,,[Mn+2],
,,,MN:B:4003,Part of Protein,,,,,[Mn+2],
,,,PPF:A:5001,valid,Kd,=,0.2,uM,C(=O)(O)P(=O)(O)O,
,,,PPF:B:5002,valid,Kd,=,0.2,uM,C(=O)(O)P(=O)(O)O,
,,1LQP,,,,,,,
,,,FCN:A:4002,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:A:4004,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:B:4001,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:B:4003,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,K:A:3002,Part of Protein,,,,,[K+],
,,,K:B:3001,Part of Protein,,,,,[K+],
,,,MN:A:3004,Part of Protein,,,,,[Mn+2],
,,,MN:B:3003,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2DSA,,,,,,,
,,,GSH:A:1224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:3224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:4224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,HPX:A:1225,valid,,,,,c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)O,
,,,HPX:B:2225,valid,,,,,c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)O,
,,,HPX:C:3225,valid,,,,,c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)O,
,,,HPX:D:4225,valid,,,,,c1ccc(cc1)C(=O)/C=C/C=C(/C(=O)O)O,
,,2GDR,,,,,,,
,,,GSH:A:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:225,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:225,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:224,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:225,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5AN1,,,,,,,
,,,GSH:C:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:1220,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1OYJ,,,,,,,
,,,CL:A:823,invalid,,,,,[Cl-],
,,,CL:A:825,invalid,,,,,[Cl-],
,,,CL:A:826,invalid,,,,,[Cl-],
,,,CL:A:827,invalid,,,,,[Cl-],
,,,CL:A:836,invalid,,,,,[Cl-],
,,,CL:A:837,invalid,,,,,[Cl-],
,,,CL:A:838,invalid,,,,,[Cl-],
,,,CL:B:820,invalid,,,,,[Cl-],
,,,CL:B:831,invalid,,,,,[Cl-],
,,,CL:B:835,invalid,,,,,[Cl-],
,,,CL:C:822,invalid,,,,,[Cl-],
,,,CL:C:824,invalid,,,,,[Cl-],
,,,CL:C:828,invalid,,,,,[Cl-],
,,,CL:C:829,invalid,,,,,[Cl-],
,,,CL:C:830,invalid,,,,,[Cl-],
,,,CL:C:833,invalid,,,,,[Cl-],
,,,CL:D:819,invalid,,,,,[Cl-],
,,,CL:D:821,invalid,,,,,[Cl-],
,,,CL:D:832,invalid,,,,,[Cl-],
,,,CL:D:834,invalid,,,,,[Cl-],
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:809,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:799,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:801,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:802,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:803,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:804,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:805,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:815,invalid,,,,,[Mg+2],
,,,MG:A:817,invalid,,,,,[Mg+2],
,,,MG:C:816,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4USS,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GSH:A:500,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4WR4,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4WR5,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2GSR,,,,,,,
,,,GTS:A:208,valid,Ki,=,4,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTS:B:208,valid,Ki,=,4,uM,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1U3I,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2IMF,,,,,,,
,,,CXS:A:312,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,GSH:A:301,valid,Kd,=,14,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TOM:A:305,valid,,,,,COc1ccccc1C=CC(=O)C(=O)O,
,,2IME,,,,,,,
,,,2C2:A:305,valid,Kd,=,19,uM,c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O,
,,,CXS:A:312,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,GSH:A:301,valid,Kd,=,14,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TOH:A:304,valid,Ki,=,136,uM,c1ccc(c(c1)C=CC(=O)C(=O)O)O,
,,2IMD,,,,,,,
,,,2C2:A:305,valid,Kd,=,19,uM,c1ccc2c(c1)C=C[C@](O2)(C(=O)O)O,
,,,CXS:A:312,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,GSH:A:301,valid,Kd,=,14,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TOH:A:304,valid,Ki,=,136,uM,c1ccc(c(c1)C=CC(=O)C(=O)O)O,
,Family. Representative Entry is ,3VPQ,,,,,,,
,,,PGO:A:303,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:302,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:311,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:308,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:310,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:312,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:305,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:309,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:307,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:304,invalid,,,,,C[C@@H](CO)O,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,1PE:A:313,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1VF1,,,,,,,
,,,GSH:A:2457,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1VF2,,,,,,,
,,,GTX:A:2457,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:3468,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,ZN:B:6000,Part of Protein,,,,,[Zn+2],
,,1VF3,,,,,,,
,,,ACY:A:5001,invalid,,,,,CC(=O)O,
,,,GDN:A:2500,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:3600,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1R5A,,,,,,,
,,,CU:A:1001,Part of Protein,,,,,[Cu+2],
,,,CU:A:1002,Part of Protein,,,,,[Cu+2],
,,,CU:A:1003,Part of Protein,,,,,[Cu+2],
,,,GTS:A:1004,valid,,,,,C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4RI6,,,,,,,
,,,MES:A:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GSH:B:500,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:500,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3F6D,,,,,,,
,,,GTX:A:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3G7J,,,,,,,
,,,GTX:A:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,3F63,,,,,,,
,,,GTX:A:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,6F70,,,,,,,
,,,GSH:A:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:B:301,invalid,,,,,C(COCCO)O,
,,,GOL:B:300,invalid,,,,,C(C(CO)O)O,
,,6F71,,,,,,,
,,,CWE:C:300,valid,,,,,c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CWE:B:300,valid,,,,,c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CWE:A:300,valid,,,,,c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CWE:D:300,valid,,,,,c1cc(ccc1[C@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,Family. Representative Entry is ,5A4W,,,,,,,
,,,ACT:E:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1215,invalid,,,,,CC(=O)[O-],
,,,QCT:D:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:A:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:E:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:C:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:A:1214,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:B:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:C:1214,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,QCT:F:1213,valid,Ka,=,0.16,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,1GNW,,,,,,,
,,,GTX:A:212,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:A:213,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:212,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:213,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,5A4U,,,,,,,
,,,I3A:A:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:F:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:E:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:C:1214,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:D:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:C:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:B:1213,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,I3A:F:1214,valid,Ka,=,0.09,M^-1,c1ccc2c(c1)c(c[nH]2)C=O,
,,,ACT:E:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1215,invalid,,,,,CC(=O)[O-],
,,5A4V,,,,,,,
,,,ACT:E:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,QUE:B:1213,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:D:1213,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:F:1213,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,Family. Representative Entry is ,2FHE,,,,,,,
,,,GSH:A:233,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:233,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1YZX,,,,,,,
,,,GSF:A:301,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSF:B:1301,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1GSU,,,,,,,
,,,GTX:A:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:220,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,Family. Representative Entry is ,5ECS,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5ZWP,,,,,,,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6EP7,,,,,,,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2HNL,,,,,,,
,,,GSH:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
3.1.-.-,,,,,,,,,
,Family. Representative Entry is ,6E0Q,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,ARG GLN SER GLU ARG GLY GLU:A:192,invalid,,,,,,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,HKD:A:203,valid,ic50,=,8,nM,CC1=C(C=C(C(=O)C(=C1)O)O)C(=O)O,
,,5D42,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TMP:A:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,4YYL,,,,,,,
,,,MN:A:305,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4KN:A:302,valid,ic50,=,9.7,uM,c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F,
,,,4KN:A:301,valid,ic50,=,9.7,uM,c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F,
,,,4KN:A:303,valid,ic50,=,9.7,uM,c1cc(ccc1OCC(=O)c2ccc(c(c2O)O)O)F,
,,5WDN,,,,,,,
,,,G1K:A:303,valid,,,,,c1ccc(cc1)OCC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,4ZI0,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4P9:A:304,valid,,,,,c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,4AWK,,,,,,,
,,,CI1:A:801,valid,ic50,=,0.13,uM,c1ccc(cc1)CS(=O)(=O)N2CCC[C@@](C2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)O,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,5WE9,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GY7:A:303,valid,Ki,=,0.06,uM,c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4F)F)O,
,,5CL0,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,U5P:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,6DCY,,,,,,,
,,,G5V:A:303,valid,ic50,=,3.5,uM,CC1=C(C(=O)C(=CO1)O)C(=O)O,
,,,PHE ARG GLN SER GLU ARG:A:191,invalid,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,5CCY,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TMP:A:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,4AVL,,,,,,,
,,,MN:A:1198,Part of Protein,,,,,[Mn+2],
,,,MN:A:1199,Part of Protein,,,,,[Mn+2],
,,,MN:B:1197,Part of Protein,,,,,[Mn+2],
,,,MN:B:1198,Part of Protein,,,,,[Mn+2],
,,,MN:C:1197,Part of Protein,,,,,[Mn+2],
,,,MN:C:1198,Part of Protein,,,,,[Mn+2],
,,,MN:D:1198,Part of Protein,,,,,[Mn+2],
,,,MN:D:1199,Part of Protein,,,,,[Mn+2],
,,,TMP:A:1200,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1199,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1199,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1200,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,4AVG,,,,,,,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:902,Part of Protein,,,,,[Mn+2],
,,,MN:C:901,Part of Protein,,,,,[Mn+2],
,,,MN:C:902,Part of Protein,,,,,[Mn+2],
,,,MN:D:901,Part of Protein,,,,,[Mn+2],
,,,MN:D:902,Part of Protein,,,,,[Mn+2],
,,,SL6:A:801,valid,ic50,=,0.06,uM,c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)O)Cl,
,,,SL6:B:801,valid,ic50,=,0.06,uM,c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)O)Cl,
,,,SL6:C:801,valid,ic50,=,0.06,uM,c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)O)Cl,
,,,SL6:D:801,valid,ic50,=,0.06,uM,c1cc(ccc1CC2(CCN(CC2)CC3CCCCC3)C(=O)/C=C(/C(=O)O)O)Cl,
,,6FS6,,,,,,,
,,,MN:D:901,Part of Protein,,,,,[Mn+2],
,,,MN:E:901,Part of Protein,,,,,[Mn+2],
,,,MN:F:902,Part of Protein,,,,,[Mn+2],
,,,MN:C:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:F:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:902,Part of Protein,,,,,[Mn+2],
,,,MN:C:902,Part of Protein,,,,,[Mn+2],
,,,MN:E:902,Part of Protein,,,,,[Mn+2],
,,,MN:D:902,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,E4Z:C:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:B:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:F:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:E:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:D:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:A:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,ARG GLN SER GLU ARG GLY GLU:E:192,invalid,,,,,,
,,,ARG GLN SER GLU ARG GLY GLU:B:192,invalid,,,,,,
,,,ARG GLN SER GLU ARG GLY GLU:D:192,invalid,,,,,,
,,,ARG GLN SER GLU ARG GLY GLU:C:192,invalid,,,,,,
,,,ARG GLN SER GLU ARG GLY GLU:A:192,invalid,,,,,,
,,,GLN SER GLU ARG GLY GLU:F:193,invalid,,,,,,
,,5W44,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,NA:A:304,invalid,,,,,[Na+],
,,,GY6:A:302,valid,Ki,=,0.36,uM,c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,5WEF,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GY6:A:303,valid,Ki,=,0.36,uM,c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:307,invalid,,,,,[Na+],
,,5I13,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4P9:A:304,valid,,,,,c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl,
,,,4P9:A:305,valid,,,,,c1cc(ccc1N/N=C/c2ccc(c(c2O)O)O)Cl,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,4E5L,,,,,,,
,,,DBH:A:305,valid,,,,,c1cc(c(c(c1)O)O)C(=O)O,
,,,DBH:B:305,valid,,,,,c1cc(c(c(c1)O)O)C(=O)O,
,,,DBH:C:305,valid,,,,,c1cc(c(c(c1)O)O)C(=O)O,
,,,DBH:D:305,valid,,,,,c1cc(c(c(c1)O)O)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5D9J,,,,,,,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,0N8:A:203,valid,Kd,=,22,nM,c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)O,
,,6FS7,,,,,,,
,,,MN:D:901,Part of Protein,,,,,[Mn+2],
,,,MN:E:901,Part of Protein,,,,,[Mn+2],
,,,MN:F:902,Part of Protein,,,,,[Mn+2],
,,,MN:C:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:F:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:902,Part of Protein,,,,,[Mn+2],
,,,MN:C:902,Part of Protein,,,,,[Mn+2],
,,,MN:E:902,Part of Protein,,,,,[Mn+2],
,,,MN:D:902,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,PHE ARG GLN SER GLU ARG GLY GLU:E:191,invalid,,,,,,
,,,PHE ARG GLN SER GLU ARG GLY GLU:D:191,invalid,,,,,,
,,,PHE ARG GLN SER GLU ARG GLY GLU:F:191,invalid,,,,,,
,,,E4Z:C:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:B:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:F:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:E:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:D:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:A:903,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,ASP SER PHE ARG GLN SER GLU ARG GLY GLU:A:189,invalid,,,,,,
,,,TRP ASP SER PHE ARG GLN SER GLU ARG GLY GLU:B:188,invalid,,,,,,
,,,SER PHE ARG GLN SER GLU ARG GLY GLU:C:190,invalid,,,,,,
,,5W3I,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,GY5:A:304,valid,Ki,=,1.6,uM,COCCNC(=O)C1=C(C(=O)NC(=N1)[C@@H]2CCCN2C(=O)COc3ccccc3)O,
,,4E5F,,,,,,,
,,,0N7:A:305,valid,ic50,=,15,uM,c1ccc2c(c1)CC(=O)N(C2=O)O,
,,,0N7:B:305,valid,ic50,=,15,uM,c1ccc2c(c1)CC(=O)N(C2=O)O,
,,,0N7:C:305,valid,ic50,=,15,uM,c1ccc2c(c1)CC(=O)N(C2=O)O,
,,,0N7:D:305,valid,ic50,=,15,uM,c1ccc2c(c1)CC(=O)N(C2=O)O,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:C:303,Part of Protein,,,,,[Mn+2],
,,,MN:C:304,Part of Protein,,,,,[Mn+2],
,,,MN:D:303,Part of Protein,,,,,[Mn+2],
,,,MN:D:304,Part of Protein,,,,,[Mn+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EGA,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,GK0:A:303,valid,ic50,=,8.7,uM,c1c(cc(c(c1O)O)O)/C=N/NC(=O)c2cc(c(c(c2)O)O)O,
,,6YA5,,,,,,,
,,,LU2:A:203,valid,ic50,=,0.072,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,PGE:A:207,invalid,,,,,C(COCCOCCO)O,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,PEG:A:208,invalid,,,,,C(COCCO)O,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6YEM,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,OOH:A:205,valid,ic50,=,0.29,uM,CCCCC(=O)C1=C(C(=O)c2c(c(cc(c2O)O)O)C1=O)O,
,,6DZQ,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,ARG GLN SER GLU ARG GLY GLU:A:192,invalid,,,,,,
,,,HJP:A:203,valid,ic50,=,0.043,uM,CC1=CC(=O)C(=C(O1)C(=O)O)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,5W7U,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,GY8:A:203,valid,Ki,=,0.009,uM,c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)c5c(cncc5Cl)Cl)O,
,,4LN7,,,,,,,
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,1ZQ:A:306,valid,ic50,=,0.041,uM,c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)F,
,,4E5J,,,,,,,
,,,581:A:303,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:A:304,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:B:303,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:B:304,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:C:303,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:C:304,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:D:303,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,581:D:304,valid,Ki,=,18.7,uM,CC(=O)Nc1cccc(c1)C2=NC(=C(C(=O)N2)O)C(=O)O,
,,,MN:A:305,Part of Protein,,,,,[Mn+2],
,,,MN:A:306,Part of Protein,,,,,[Mn+2],
,,,MN:B:305,Part of Protein,,,,,[Mn+2],
,,,MN:B:306,Part of Protein,,,,,[Mn+2],
,,,MN:C:305,Part of Protein,,,,,[Mn+2],
,,,MN:C:306,Part of Protein,,,,,[Mn+2],
,,,MN:D:305,Part of Protein,,,,,[Mn+2],
,,,MN:D:306,Part of Protein,,,,,[Mn+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4E5H,,,,,,,
,,,0N8:D:305,valid,ic50,=,0.43,uM,c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)O,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:C:303,Part of Protein,,,,,[Mn+2],
,,,MN:C:304,Part of Protein,,,,,[Mn+2],
,,,MN:D:303,Part of Protein,,,,,[Mn+2],
,,,MN:D:304,Part of Protein,,,,,[Mn+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WCT,,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,GY4:A:303,valid,,,,,c1cc(ccc1CC(=O)N2CCC[C@H]2C3=NC(=C(C(=O)N3)O)C(=O)O)Cl,
,,5FDG,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0N8:A:204,valid,,,,,c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)O,
,,4ZHZ,,,,,,,
,,,4P8:A:301,valid,,,,,c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl,
,,,4P8:A:302,valid,,,,,c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,4AWH,,,,,,,
,,,MN:A:495,Part of Protein,,,,,[Mn+2],
,,,MN:A:496,Part of Protein,,,,,[Mn+2],
,,,MN:B:495,Part of Protein,,,,,[Mn+2],
,,,MN:B:496,Part of Protein,,,,,[Mn+2],
,,,MN:C:495,Part of Protein,,,,,[Mn+2],
,,,MN:C:496,Part of Protein,,,,,[Mn+2],
,,,MN:D:495,Part of Protein,,,,,[Mn+2],
,,,MN:D:496,Part of Protein,,,,,[Mn+2],
,,,U5P:A:910,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:910,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:910,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:910,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5VPT,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,R07:A:204,valid,Kd,=,9.5,nM,C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5,
,,5WA7,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,KU4:A:204,valid,Ki,=,0.4,uM,c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O,
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WG9,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,KU4:A:205,valid,Ki,=,2.6,uM,c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:A:195,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5VRJ,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,R07:A:204,valid,,,,,C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5VQN,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,R07:A:205,valid,,,,,C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5W92,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,9HD:A:204,valid,,,,,C1CC(=O)N(C1)CC[C@H](C[C@@H](C[C@@H](CCN2CCCC2=O)N3C=CCC3=O)N4CCCC4=O)N5CCCC5=O,
,,,KU0:A:203,valid,Ki,=,0.02,uM,c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O,
,,5WEI,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GY6:A:206,valid,Ki,=,2,uM,c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cccc4Cl)Cl)O,
,,5VPX,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,R07:A:205,valid,Kd,=,4.6,uM,C[C@H](C(F)(F)F)N1CN(N2C=CC(=O)C(=C2C1=O)O)[C@H]3c4ccccc4CSc5c3cccc5,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WDC,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,G2K:A:205,valid,Ki,=,0.4,uM,c1ccc(cc1)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WEB,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KU5:A:203,valid,Ki,=,0.01,uM,c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O,
,,5WB3,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GYA:A:205,valid,Ki,=,0.06,uM,COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O,
,,5DEB,,,,,,,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,U5P:A:203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,5W9G,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KU2:A:204,valid,Ki,=,0.15,uM,c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,5WAP,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KU9:A:204,valid,Ki,=,0.3,uM,c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O,
,,5WDW,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,8KU:A:203,valid,Ki,=,0.29,uM,c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O,
,,5D8U,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,0N8:A:203,valid,Kd,=,949,nM,c1ccc(cc1)CN2CCC(CC2)(Cc3ccc(cc3)Cl)C(=O)/C=C(/C(=O)O)O,
,,5W73,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GY9:A:205,valid,Ki,=,0.5,uM,c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)COc4ccccc4Cl)O,
,,,GLU:A:195,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5WFW,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GYA:A:205,valid,Ki,=,0.8,uM,COc1cc2c(cc1OC)CC(C2)NC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O,
,,5WFM,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:A:195,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,KU5:A:205,valid,Ki,=,0.3,uM,c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O,
,,5WF3,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SER GLU:A:194,invalid,,,,,,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KU2:A:205,valid,Ki,=,1.4,uM,c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CSc4ccccc4Cl)O,
,,5WFZ,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KU0:A:205,valid,Ki,<,0.01,uM,c1ccc(cc1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)c4c(cncc4Cl)Cl)O,
,,,GLU:A:195,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6FS8,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:B:203,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,E4Z:B:201,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,,E4Z:A:201,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,,6FS9,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,E4Z:A:203,valid,,,,,c1ccc2c(c1)[C@H](c3ccc(c(c3CS2)F)F)N4[C@@H]5COCCN5C(=O)C6=C(C(=O)C=CN64)O,
,Family. Representative Entry is ,4PPF,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:A:402,invalid,,,,,[Na+],
,,,FLC:A:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,6AP6,,,,,,,
,,,TLF:A:300,valid,Kd,=,4.3,uM,Cc1c(cccc1Cl)Nc2ccccc2C(=O)O,
,,,TLF:B:300,valid,Kd,=,4.3,uM,Cc1c(cccc1Cl)Nc2ccccc2C(=O)O,
,,6O5J,,,,,,,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,LM7:A:301,valid,,,,,c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O,
,,,LM7:B:301,valid,,,,,c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,6AP7,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,BNY:A:300,valid,Kd,=,4.6,uM,Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O,
,,,BNY:B:301,valid,Kd,=,4.6,uM,Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O,
,Family. Representative Entry is ,6O7B,,,,,,,
,,,A   A   A   A  :D:1,valid,,,,,,
,,,A   A   A   A  :C:1,valid,,,,,,
,Family. Representative Entry is ,4MDB,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,RLT:A:401,valid,,,,,Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F,
,,4MDA,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,RLT:A:403,valid,,,,,Cc1nnc(o1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCc3ccc(cc3)F,
,Family. Representative Entry is ,6XB3,,,,,,,
,,,9BG:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:G:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:K:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:M:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:P:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:M:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:P:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:K:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,6TUG,,,,,,,
,,,AF2 AF2 AF2 AF2 AF2 AF2:A:502,valid,,,,,FC1C(n2c3ncnc(N)c3nc2)OC2C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OC2,
,,,AF2 AF2 AF2 AF2 AF2 AF2:E:502,valid,,,,,FC1C(n2c3ncnc(N)c3nc2)OC2C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OC2,
,,,AF2 AF2 AF2 AF2 AF2 AF2:C:502,valid,,,,,FC1C(n2c3ncnc(N)c3nc2)OC2C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OC2,
,,,AF2 AF2 AF2 AF2 AF2 AF2:G:502,valid,,,,,FC1C(n2c3ncnc(N)c3nc2)OC2C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OCC1OC(n3c4ncnc(N)c4nc3)C(F)C1OP(=O)([O-])OC2,
,,,SO4:G:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4NBI,,,,,,,
,,,D3Y:B:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:A:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,3KO5,,,,,,,
,,,ADP:A:165,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:165,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:165,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:165,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3KO7,,,,,,,
,,,DLY:C:165,valid,,,,,C(CCN)C[C@H](C(=O)O)N,
,,5J61,,,,,,,
,,,A3G:H:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:G:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,4NBJ,,,,,,,
,,,D3Y:B:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:A:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:H:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:E:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:C:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:D:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:F:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,,,D3Y:G:201,valid,,,,,c1cc(ccc1C[C@H](C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)N)O,
,Family. Representative Entry is ,6N6A,,,,,,,
,,,G   G  :D:603,valid,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,6N6E,,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,G   A  :D:603,valid,,,,,,
,,6N6D,,,,,,,
,,,A   G  :D:603,valid,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,6N6G,,,,,,,
,,,C   G  :D:603,valid,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,6N6C,,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,A   A  :D:603,valid,,,,,,
,,6N6H,,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,C   U  :D:603,valid,,,,,,
,,6N6F,,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,G   C  :D:603,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3N=C(N)NC(=O)c3nc2)OC1CO)[O-],
,Family. Representative Entry is ,3RL3,,,,,,,
,,,5GP:A:951,valid,ic50,=,67,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:800,invalid,,,,,[Cl-],
,,,EDO:A:333,invalid,,,,,C(CO)O,
,,,MN:A:444,Part of Protein,,,,,[Mn+2],
,,,MN:A:555,Part of Protein,,,,,[Mn+2],
,,,MN:A:666,Part of Protein,,,,,[Mn+2],
,,,MN:A:771,Part of Protein,,,,,[Mn+2],
,,,MN:A:772,Part of Protein,,,,,[Mn+2],
,,,MN:A:773,Part of Protein,,,,,[Mn+2],
,,,MN:A:774,Part of Protein,,,,,[Mn+2],
,,,MN:A:775,Part of Protein,,,,,[Mn+2],
,,,MN:A:776,Part of Protein,,,,,[Mn+2],
,,3RL4,,,,,,,
,,,5GP:A:951,valid,ic50,=,3800,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:888,invalid,,,,,[Cl-],
,,,EDO:A:333,invalid,,,,,C(CO)O,
,,,MN:A:444,Part of Protein,,,,,[Mn+2],
,,,MN:A:555,Part of Protein,,,,,[Mn+2],
,,,MN:A:666,Part of Protein,,,,,[Mn+2],
,,,MN:A:771,Part of Protein,,,,,[Mn+2],
,,,MN:A:772,Part of Protein,,,,,[Mn+2],
,,,MN:A:773,Part of Protein,,,,,[Mn+2],
,,,MN:A:774,Part of Protein,,,,,[Mn+2],
,,,MN:A:775,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1WLJ,,,,,,,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,MN:A:200,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,U5P:A:300,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,6AP8,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,BNY:A:401,valid,Kd,=,8,uM,Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O,
,,,BNY:B:401,valid,Kd,=,8,uM,Cc1c(cccc1N(=O)=O)Nc2ccccc2C(=O)O,
,,3WIO,,,,,,,
,,,H3M:A:401,valid,,,,,CC1=C[C@@H](OC1=O)O,
,,5YZ7,,,,,,,
,,,94X:A:500,valid,,,,,C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O,
,,,94X:B:500,valid,,,,,C/C(=C/[C@H](Cc1ccc(cc1)Br)O)/C(=O)O,
,,5DJ5,,,,,,,
,,,GR2:A:800,valid,ic50,=,2.5,uM,CC1=C[C@@H](OC1=O)O/C=C/2[C@H]3Cc4ccccc4[C@H]3OC2=O,
,,6BRT,,,,,,,
,,,H3M:A:401,valid,,,,,CC1=C[C@@H](OC1=O)O,
,Family. Representative Entry is ,2DJH,,,,,,,
,,,3PD UM3:A:117,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])CC(N2C(=O)NC(=O)C=C2)O1)(OC1C(CO)OC(n2c3N=C(N)NC(=O)c3nc2)C1)[O-],
,Family. Representative Entry is ,3BF8,,,,,,,
,,,MLA:A:4892,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:4892,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,2OCI,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TYC:A:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)N)N)O,
,Family. Representative Entry is ,6N6J,,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,NA:C:702,Part of Protein,,,,,[Na+],
,,,MLI:A:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,A   A  :C:603,valid,,,,,,
,,,A   A  :D:603,valid,,,,,,
,,,EDO:C:701,invalid,,,,,C(CO)O,
,,6N6K,,,,,,,
,,,A   G  :C:603,valid,,,,,,
,,,A   G  :D:603,valid,,,,,,
,,,NA:C:701,Part of Protein,,,,,[Na+],
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,MLI:A:301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6N6I,,,,,,,
,,,G   G  :D:603,valid,,,,,,
,,,G   G  :C:603,valid,,,,,,
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,NA:C:702,Part of Protein,,,,,[Na+],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,EDO:C:701,invalid,,,,,C(CO)O,
,,,MLI:B:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1IYB,,,,,,,
,,,5GP:A:1295,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:1296,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4GYO,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,GLU ARG GLY MET THR:D:1,valid,,,,,S(CCC(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCCNC(=[NH2+])N)C(=O)NC(C(=O)[O-])C(O)C)C,
,,,GLU ARG GLY MET THR:C:1,valid,,,,,S(CCC(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCCNC(=[NH2+])N)C(=O)NC(C(=O)[O-])C(O)C)C,
,Family. Representative Entry is ,5AHO,,,,,,,
,,,EDO:A:1316,invalid,,,,,C(CO)O,
,,,EDO:A:1315,invalid,,,,,C(CO)O,
,,,EDO:A:1317,invalid,,,,,C(CO)O,
,,,EDO:A:1314,invalid,,,,,C(CO)O,
,,,EDO:A:1318,invalid,,,,,C(CO)O,
,,,EDO:A:1323,invalid,,,,,C(CO)O,
,,,ZN:A:1321,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1320,Part of Protein,,,,,[Zn+2],
,,,TLA:A:1319,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1322,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5VEO,,,,,,,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:517,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,PEG:A:523,invalid,,,,,C(COCCO)O,
,,,PEG:A:522,invalid,,,,,C(COCCO)O,
,,,PEG:A:521,invalid,,,,,C(COCCO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,AMP:A:524,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:525,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PGE:A:520,invalid,,,,,C(COCCOCCO)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN:C:1,invalid,,,,,,
,Family. Representative Entry is ,4K49,,,,,,,
,,,HFQ:B:201,valid,Ki,=,2.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,,HFQ:C:201,valid,Ki,=,2.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,,HFQ:A:201,valid,Ki,=,2.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,,HFQ:D:201,valid,Ki,=,2.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,4K4B,,,,,,,
,,,UOQ:C:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:H:203,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:B:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:F:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:E:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:H:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:A:201,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:B:202,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:H:202,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:E:204,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:D:501,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:E:203,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UOQ:A:203,valid,Ki,=,12.2,uM,CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:E:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,4K4A,,,,,,,
,,,0FQ:D:201,valid,Ki,=,7.8,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:A:201,valid,Ki,=,7.8,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:B:201,valid,Ki,=,7.8,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:C:201,valid,Ki,=,7.8,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,Family. Representative Entry is ,6UR1,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,AT3:A:402,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:B:402,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,6UQZ,,,,,,,
,,,ETM:B:402,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:A:402,valid,,,,,C[N+](C)(C)CCS,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,6UQW,,,,,,,
,,,ETM:B:402,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:A:404,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:A:402,valid,,,,,C[N+](C)(C)CCS,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6UQY,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,AT3:A:401,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:B:401,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,6UR0,,,,,,,
,,,ETM:A:401,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:B:401,valid,,,,,C[N+](C)(C)CCS,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,6UQX,,,,,,,
,,,PPI:B:401,valid,,,,,CCC(=O)O,
,,,ETM:B:402,valid,,,,,C[N+](C)(C)CCS,
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,QFJ:A:401,valid,,,,,CCC(=O)SCC[N+](C)(C)C,
,Family. Representative Entry is ,6A4D,,,,,,,
,,,9RC:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O,
,,,9RC:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O,
,,,9RC:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O,
,,,9RC:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)Oc3ccc(cc3)[N+](=O)[O-])O,
,,6A4F,,,,,,,
,,,U5P:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:B:203,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6SYI,,,,,,,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS:B:2,valid,ic50,=,13,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc2ccc(O)cc2)CC(=O)N)CCC1)Cc1ccc(O)cc1)CC(C)C)CC(C)C)Cc1ccccc1)CC(C)C)CCCC[NH3+],
,,,PGE:A:801,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6W01,,,,,,,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,CIT:A:412,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:408,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:B:411,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2D7D,,,,,,,
,,,ADP:A:662,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DT  DT  DT:D:1,valid,,,,,,
,Family. Representative Entry is ,6RCL,,,,,,,
,,,MG:C:101,Part of Protein,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,A   A  :C:1,valid,,,,,,
,,6RCN,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DA  DA :C:1,valid,,,,,,
,Family. Representative Entry is ,3WXM,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:G:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1W0H,,,,,,,
,,,AMP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
3.1.27.-,,,,,,,,,
,Family. Representative Entry is ,1H1H,,,,,,,
,,,A2P:A:1134,valid,Ki,~,6.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6QBA,,,,,,,
,,,2T1:A:201,valid,,,,,c1ccc(c(c1)C2CCN(CC2)C(=O)Nc3ccccc3C(=O)O)C(F)(F)F,
,,,IMD:A:205,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:202,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:206,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:210,Part of Protein,,,,,[Zn+2],
,,,ZN:A:208,Part of Protein,,,,,[Zn+2],
,,,ZN:A:209,Part of Protein,,,,,[Zn+2],
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,,PEG:A:207,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5ARK,,,,,,,
,,,UMP:B:1120,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1120,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:1120,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:1120,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,PO4:A:1121,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1121,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2GMK,,,,,,,
,,,AMP:A:940,valid,Ki,=,590,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:941,valid,Ki,=,590,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:942,valid,Ki,=,590,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:943,valid,Ki,=,590,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2I5S,,,,,,,
,,,DA  DU  DG  DA:A:2,valid,,,,,,
,Family. Representative Entry is ,2RNF,,,,,,,
,,,UM3:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O,
,,,UM3:B:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O,
,Family. Representative Entry is ,1BRN,,,,,,,
,,,DC  DG  DA  DC:A:1,valid,,,,,,
,,,DC  DG  DA  DC:B:1,valid,,,,,,
,,1RNB,,,,,,,
,,,DG  DC:C:111,valid,,,,,,
,,,SO4:C:150,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6M8Q,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JBG:A:503,valid,,,,,CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl,
,,,JBG:B:503,valid,,,,,CN1CCN(CC1)CCOc2c(cc(c(c2Cl)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl,
6.3.2.9,,,,,,,,,
,Family. Representative Entry is ,2VTD,,,,,,,
,,,LKM:A:1441,valid,ic50,=,85,uM,c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O,
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UAG,,,,,,,
,,,SO4:A:461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UAG:A:460,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,UNX:A:992,invalid,,,,,*,
,,,UNX UNX UNX:A:987,invalid,,,,,,
,,,UNX UNX UNX UNX:A:988,invalid,,,,,,
,,2VTE,,,,,,,
,,,IK4:A:1440,valid,ic50,=,122,uM,c1cc(ccc1COc2ccc3ccc(cc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N,
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XPC,,,,,,,
,,,051:A:500,valid,Ki,=,125,uM,c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H]4CC[C@H](C[C@H]4C(=O)O)C(=O)O,
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1444,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1445,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2UUP,,,,,,,
,,,LK4:A:1440,valid,ic50,=,105,uM,c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)C#N,
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1443,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JFH,,,,,,,
,,,LK1:A:1441,valid,Ki,=,870,uM,CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A5F,,,,,,,
,,,MLI:A:500,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:501,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ADP:A:451,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,UMA:A:450,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,2Y68,,,,,,,
,,,AZI:A:700,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:701,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:703,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:704,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:1444,invalid,,,,,[Cl-],
,,,CL:A:1445,invalid,,,,,[Cl-],
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1443,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T04:A:500,valid,ic50,=,253,uM,c1cc(ccc1C=C/2C(=O)NC(=S)S2)NCc3ccc(c(c3)C(=O)NC(CCC(=O)O)C(=O)O)F,
,,2UUO,,,,,,,
,,,LK3:A:1441,valid,ic50,=,170,uM,CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O,
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X5O,,,,,,,
,,,AZI:A:1443,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:1453,invalid,,,,,[Cl-],
,,,CL:A:1458,invalid,,,,,[Cl-],
,,,CL:A:1459,invalid,,,,,[Cl-],
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,SO3:A:1451,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:A:1448,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1450,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VSV:A:500,valid,ic50,=,85,uM,c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)CNc2ccc(cc2)C=C/3C(=O)NC(=O)S3,
,,1UAG,,,,,,,
,,,SO4:A:964,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:965,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMA:A:963,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,2JFF,,,,,,,
,,,LK2:A:1440,valid,Ki,=,240,uM,CCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O,
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y66,,,,,,,
,,,CL:A:1442,invalid,,,,,[Cl-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,N04:A:500,valid,,,,,c1cc(cc(c1)C(=O)N[C@H](CCC(=O)O)C(=O)O)COc2cccc(c2)C=C/3C(=O)NC(=O)S3,
,,,SO3:A:1441,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EEH,,,,,,,
,,,UMA:A:450,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,2Y67,,,,,,,
,,,N21:A:500,valid,ic50,=,292,uM,c1cc(ccc1COc2ccc(cc2)C=C/3C(=O)NC(=O)S3)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O,
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2UAG,,,,,,,
,,,ADP:A:451,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,UMA:A:450,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,2JFG,,,,,,,
,,,ADP:A:1441,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMA:A:1440,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,3UAG,,,,,,,
,,,ADP:A:451,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:452,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MN:A:1000,Part of Protein,,,,,[Mn+2],
,,,UMA:A:450,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
5.1.3.-,,,,,,,,,
,Family. Representative Entry is ,1E7S,,,,,,,
,,,NAP:A:1317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1321,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UVW:A:1318,invalid,,,,,CC(=O)OP(=O)(O)O,
,,1E7R,,,,,,,
,,,NAP:A:1317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1319,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1322,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UVW:A:1318,invalid,,,,,CC(=O)OP(=O)(O)O,
,,1FXS,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1BWS,,,,,,,
,,,NDP:A:322,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1BSV,,,,,,,
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2QLX,,,,,,,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:A:308,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:B:307,invalid,,,,,C(=O)O,
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,,,MG:B:200,Part of Protein,,,,,[Mg+2],
,,,RM4:A:300,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RM4:B:300,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,2WCU,,,,,,,
,,,FUC:A:1150,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:1150,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3CTL,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:E:605,Part of Protein,,,,,[Mg+2],
,,,MG:F:606,Part of Protein,,,,,[Mg+2],
,,,S6P:A:501,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:502,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:C:503,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:D:504,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:E:505,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:F:506,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,Family. Representative Entry is ,2FLI,,,,,,,
,,,DX5:A:1901,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:B:1902,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:C:1903,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:D:1904,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:E:1905,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:F:1906,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:G:1911,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:H:1912,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:I:1913,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:J:1914,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:K:1915,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,DX5:L:1916,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,ZN:A:1981,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1982,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1983,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1984,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1985,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1986,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1991,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1992,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1993,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1994,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1995,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1996,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1ORR,,,,,,,
,,,CDP:A:1201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:1401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:1501,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAD:A:1200,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2WCV,,,,,,,
,,,FUC:A:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:E:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:F:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:G:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:H:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:I:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:J:1141,valid,Kd,=,1.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
1.3.99.5,,,,,,,,,
,Family. Representative Entry is ,4AT0,,,,,,,
,,,ACT:A:1490,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1491,invalid,,,,,CC(=O)[O-],
,,,CL:A:1494,invalid,,,,,[Cl-],
,,,FAD:A:1493,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,4AT2,,,,,,,
,,,ASD:A:1490,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,CL:A:1491,invalid,,,,,[Cl-],
,,,FAD:A:1492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.4.21.82,,,,,,,,,
,Family. Representative Entry is ,1HPG,,,,,,,
,,,BOC ALA ALA PRO GLU:B:300,valid,,,,,O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCC(=O)[O-])CCC1)C)C,
2.8.3.-,,,,,,,,,
,Family. Representative Entry is ,1VGR,,,,,,,
,,,COA:A:429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,1P5R,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,1T3Z,,,,,,,
,,,CAO:A:429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:B:1429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,2VJO,,,,,,,
,,,CL:A:1429,invalid,,,,,[Cl-],
,,,CL:B:1429,invalid,,,,,[Cl-],
,,,COA:A:1169,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1169,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EPE:A:1431,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,OXL:A:1430,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1VGQ,,,,,,,
,,,CAO:A:429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:B:1429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,Family. Representative Entry is ,1XA4,,,,,,,
,,,BTB:A:601,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:602,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,COA:B:701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1XVV,,,,,,,
,,,CCQ:A:501,valid,,,,,CC(C)(CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O,
,,1XVT,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,1XVU,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3UBM,,,,,,,
,,,COA:A:2001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2004,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:2002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:2003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
1.-.-.-,,,,,,,,,
,Family. Representative Entry is ,5VN0,,,,,,,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAI:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:G:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:E:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,,OXY:H:502,invalid,,,,,O=O,
,,,OXY:F:502,invalid,,,,,O=O,
,,,EDO:G:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:H:504,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:F:506,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:F:504,invalid,,,,,C(CO)O,
,,,EDO:E:504,invalid,,,,,C(CO)O,
,,,EDO:H:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:F:505,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,5VOH,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,NDP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ER0,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,,OXY:A:502,invalid,,,,,O=O,
,Family. Representative Entry is ,3BNK,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2WET,,,,,,,
,,,CL:A:1514,invalid,,,,,[Cl-],
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CL:B:1653,invalid,,,,,[Cl-],
,,,CL:B:700,invalid,,,,,[Cl-],
,,,CL:C:1515,invalid,,,,,[Cl-],
,,,CL:C:700,invalid,,,,,[Cl-],
,,,CL:D:1514,invalid,,,,,[Cl-],
,,,CL:D:700,invalid,,,,,[Cl-],
,,,FAD:A:1513,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1652,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1513,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1513,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:C:1514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:B:650,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2WEU,,,,,,,
,,,TRP:A:1512,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1512,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:1512,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:1512,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2WES,,,,,,,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CL:B:700,invalid,,,,,[Cl-],
,,,CL:C:700,invalid,,,,,[Cl-],
,,,CL:D:700,invalid,,,,,[Cl-],
,,,FAD:A:650,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:650,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:650,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:650,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4P8K,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,38C:A:502,valid,ic50,=,0.041,uM,COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,,38C:B:502,valid,ic50,=,0.041,uM,COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,5OEQ,,,,,,,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,P95:A:502,valid,,,,,c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4s3,
,,4P8C,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2J3:A:504,valid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,Y22:B:502,valid,ic50,=,0.12,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F,
,,,Y22:A:502,valid,ic50,=,0.12,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)C(F)(F)F,
,,4P8Y,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,38C:A:502,valid,,,,,COc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,6HEZ,,,,,,,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,0SK:A:501,invalid,,,,,C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F,
,,,0SK:B:501,invalid,,,,,C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)c4cc(cc(c4S3)NO)C(F)(F)F,
,,4FDN,,,,,,,
,,,0T4:A:901,invalid,,,,,CC(c1ccccc1)NC(=O)c2cc(cc(c2)NO)C(F)(F)F,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5OEL,,,,,,,
,,,1W6:A:502,valid,Kd,=,5.4,uM,CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2,
,,,1W6:B:502,valid,Kd,=,5.4,uM,CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3ccccc3s2,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4NCR,,,,,,,
,,,26J:A:501,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F,
,,,26J:B:501,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F,
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4FEH,,,,,,,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4P8P,,,,,,,
,,,2J3:A:503,valid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O,
,,,RG2:B:502,valid,ic50,=,0.05,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl,
,,,RG2:A:502,valid,ic50,=,0.05,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)Cl,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,6HF0,,,,,,,
,,,G1H:B:901,invalid,,,,,C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C,
,,,G1H:A:901,invalid,,,,,C[C@@H]1CCC[C@@H](N1C2=NC(=O)c3cc(cc(c3O2)[N+](=O)[O-])C(F)(F)F)C,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6HFW,,,,,,,
,,,G1T:B:502,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F,
,,,G1T:A:503,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,4FDO,,,,,,,
,,,0T5:A:901,valid,,,,,CC(c1ccccc1)NC(=O)c2cc(cc(c2)[N+](=O)[O-])C(F)(F)F,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4P8L,,,,,,,
,,,36C:A:502,valid,ic50,=,0.072,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F,
,,,36C:B:502,valid,ic50,=,0.072,uM,c1cc(ccc1CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O)F,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,5OEP,,,,,,,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,9T2:A:502,valid,,,,,CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F,
,,,9T2:B:502,valid,,,,,CCOC(=O)NC(=O)c1cc(sc1NC(=O)c2nc3ccccc3s2)F,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6HFV,,,,,,,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G1T:A:503,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F,
,,,G1T:B:502,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCCCC3)NO)C(F)(F)F,
,,4P8M,,,,,,,
,,,2J3:A:503,valid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,R58:B:502,valid,ic50,=,0.088,uM,CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,,R58:A:502,valid,ic50,=,0.088,uM,CCOc1ccc(cc1)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,6HF3,,,,,,,
,,,26J:A:501,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F,
,,,26J:B:501,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(F)(F)F,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4FDP,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,4P8N,,,,,,,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,R57:A:502,valid,ic50,=,0.08,uM,COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,,R57:B:502,valid,ic50,=,0.08,uM,COc1ccc(cc1F)CNc2c(nc3ccc(cc3n2)C(F)(F)F)C(=O)O,
,,6G83,,,,,,,
,,,EQ8:A:502,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F,
,,,EQ8:B:502,invalid,,,,,c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)S(=O)(=O)C4CCCCC4)[NH+]=O)C(F)(F)F,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5JCJ,,,,,,,
,,,6JM:D:302,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O,
,,,6JM:B:302,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O,
,,,6JM:A:303,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3cc(ccc3O2)O)O)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3DJE,,,,,,,
,,,EPE:B:600,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:A:500,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FSA:A:501,valid,Ki,=,5,uM,C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O,
,,,FSA:B:501,valid,Ki,=,5,uM,C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O,
,Family. Representative Entry is ,6C7L,,,,,,,
,,,PO4:A:411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:417,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:418,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:415,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:419,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:416,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:413,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:420,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:414,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,ATR:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,MPD:A:422,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6C75,,,,,,,
,,,ATR:B:1800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,6C76,,,,,,,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PGE:B:402,invalid,,,,,C(COCCOCCO)O,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,ACY:B:401,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,4PLT,,,,,,,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:402,valid,,,,,C(=O)(C(=O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4PLY,,,,,,,
,,,PYR:A:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:402,valid,,,,,CC(=O)C(=O)O,
,,,NAI:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4PLW,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4PLV,,,,,,,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,2OP:D:402,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:A:402,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:C:402,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:B:402,valid,,,,,C[C@@H](C(=O)O)O,
,,4PLH,,,,,,,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,OXM:C:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:401,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,3A28,,,,,,,
,,,BME:A:2462,invalid,,,,,C(CS)O,
,,,BME:B:3462,invalid,,,,,C(CS)O,
,,,BME:C:4462,invalid,,,,,C(CS)O,
,,,BME:D:5462,invalid,,,,,C(CS)O,
,,,BME:E:6462,invalid,,,,,C(CS)O,
,,,BME:F:7462,invalid,,,,,C(CS)O,
,,,BME:G:8462,invalid,,,,,C(CS)O,
,,,BME:H:9462,invalid,,,,,C(CS)O,
,,,MG:C:804,invalid,,,,,[Mg+2],
,,,MG:D:805,invalid,,,,,[Mg+2],
,,,MG:E:1288,invalid,,,,,[Mg+2],
,,,MG:F:948,invalid,,,,,[Mg+2],
,,,NAD:A:2300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:4300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:5300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:6300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:7300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:8300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:9300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1Z44,,,,,,,
,,,FMN:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NPO:A:1506,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:B:1505,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:B:1507,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3SJU,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3KAP,,,,,,,
,,,FMN:A:150,valid,Kd,=,0.1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3KAQ,,,,,,,
,,,FMN:A:150,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6H3D,,,,,,,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,DHI:A:601,valid,,,,,c1c([nH+]c[nH]1)C[C@H](C(=O)O)N,
,,,NDP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6H3F,,,,,,,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,8UX:A:601,valid,,,,,C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6C4T,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,NA7:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6C4M,,,,,,,
,,,NAP:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5AUN,,,,,,,
,,,URE:A:203,invalid,,,,,C(=O)(N)N,
,,,URE:A:204,invalid,,,,,C(=O)(N)N,
,,,URE:A:205,invalid,,,,,C(=O)(N)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:206,invalid,,,,,[Cl-],
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,,5AUO,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ACP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3CRZ,,,,,,,
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:305,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2QDX,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1B4N,,,,,,,
,,,CA:A:620,Part of Protein,,,,,[Ca+2],
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CA:C:620,Part of Protein,,,,,[Ca+2],
,,,CA:D:620,Part of Protein,,,,,[Ca+2],
,,,GUA:A:622,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:B:622,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:C:622,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:D:622,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,PTE:A:623,Part of Protein,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S,
,,,PTE:B:623,Part of Protein,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S,
,,,PTE:C:623,Part of Protein,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S,
,,,PTE:D:623,Part of Protein,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([OH2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S,
,,,SF4:A:621,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:621,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:621,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:621,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,6OVX,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2GOU,,,,,,,
,,,BOG:A:1296,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FMN:A:4401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PE4:A:4124,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SO4:A:4849,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:5080,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2GQ9,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:2760,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:2761,valid,,,,,c1cc(ccc1C=O)O,
,,,SO4:A:4848,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GQ8,,,,,,,
,,,AC6:A:3097,valid,,,,,CC(=O)c1ccc(cc1)O,
,,,BOG:A:1296,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:4849,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:5080,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2GQA,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:4849,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1XDS,,,,,,,
,,,DRA:A:5600,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O,
,,,DRA:B:9600,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@H](O7)C)O)N(C)C)O,
,,,SAM:A:5635,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:9635,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2JAP,,,,,,,
,,,J01:A:1249,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,J01:B:1249,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,J01:C:1249,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,J01:D:1249,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,NDP:A:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4KVL,,,,,,,
,,,BOG:A:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:710,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGE:A:713,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:715,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:714,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:709,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:712,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:708,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:711,invalid,,,,,C(COCCOCCOCCO)O,
,,,1PE:A:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,HEM:A:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:717,invalid,,,,,[Cl-],
,,,CL:A:716,invalid,,,,,[Cl-],
,,,PLM:A:704,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:702,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,IMD:A:705,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,3A51,,,,,,,
,,,ACT:A:4006,invalid,,,,,CC(=O)[O-],
,,,ACT:B:4009,invalid,,,,,CC(=O)[O-],
,,,ACT:C:4004,invalid,,,,,CC(=O)[O-],
,,,ACT:C:4007,invalid,,,,,CC(=O)[O-],
,,,ACT:D:4001,invalid,,,,,CC(=O)[O-],
,,,ACT:E:4005,invalid,,,,,CC(=O)[O-],
,,,ACT:E:4008,invalid,,,,,CC(=O)[O-],
,,,CA:A:2501,Part of Protein,,,,,[Ca+2],
,,,CA:A:2505,Part of Protein,,,,,[Ca+2],
,,,CA:A:2506,Part of Protein,,,,,[Ca+2],
,,,CA:C:2503,Part of Protein,,,,,[Ca+2],
,,,CA:D:2502,Part of Protein,,,,,[Ca+2],
,,,CA:E:2504,Part of Protein,,,,,[Ca+2],
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VDY:A:6178,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,,VDY:B:6178,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,,VDY:C:6178,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,,VDY:D:6178,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,,VDY:E:6178,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,3A50,,,,,,,
,,,ACT:A:4006,invalid,,,,,CC(=O)[O-],
,,,ACT:C:4004,invalid,,,,,CC(=O)[O-],
,,,ACT:C:4007,invalid,,,,,CC(=O)[O-],
,,,ACT:D:4001,invalid,,,,,CC(=O)[O-],
,,,ACT:E:4005,invalid,,,,,CC(=O)[O-],
,,,ACT:E:4008,invalid,,,,,CC(=O)[O-],
,,,CA:A:2501,Part of Protein,,,,,[Ca+2],
,,,CA:A:2505,Part of Protein,,,,,[Ca+2],
,,,CA:A:2506,Part of Protein,,,,,[Ca+2],
,,,CA:C:2503,Part of Protein,,,,,[Ca+2],
,,,CA:D:2502,Part of Protein,,,,,[Ca+2],
,,,CA:E:2504,Part of Protein,,,,,[Ca+2],
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VD3:A:2001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,,VD3:B:2001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,,VD3:C:2001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,,VD3:D:2001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,,VD3:E:2001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,Family. Representative Entry is ,4YRY,,,,,,,
,,,PO4:D:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:C:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,4YLF,,,,,,,
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,6NKM,,,,,,,
,,,ZWP:A:802,valid,,,,,CC(C)(C=C)c1c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC=C4,
,,,NAP:E:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6NKK,,,,,,,
,,,PM7:D:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:E:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:C:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:F:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:B:802,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6FRN,,,,,,,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CA:C:504,Part of Protein,,,,,[Ca+2],
,,,CA:D:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:505,Part of Protein,,,,,[Ca+2],
,,,CA:D:505,Part of Protein,,,,,[Ca+2],
,,,CA:D:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:506,Part of Protein,,,,,[Ca+2],
,,,CA:D:503,Part of Protein,,,,,[Ca+2],
,,,PE4:C:511,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:D:511,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:C:510,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:506,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:D:510,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:505,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,TB:C:507,invalid,,,,,[Tb+3],
,,,TB:B:504,invalid,,,,,[Tb+3],
,,,TB:D:507,invalid,,,,,[Tb+3],
,,,TB:A:505,invalid,,,,,[Tb+3],
,,,7MT:D:509,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,7MT:C:508,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,7MT:D:508,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,7MT:C:509,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,NA:D:514,Part of Protein,,,,,[Na+],
,,6ZLF,,,,,,,
,,,KR:A:510,invalid,,,,,[Kr],
,,,KR:L:504,invalid,,,,,[Kr],
,,,KR:J:508,invalid,,,,,[Kr],
,,,KR:F:503,invalid,,,,,[Kr],
,,,KR:I:509,invalid,,,,,[Kr],
,,,KR:L:505,invalid,,,,,[Kr],
,,,KR:G:506,invalid,,,,,[Kr],
,,,KR:I:513,invalid,,,,,[Kr],
,,,KR:I:514,invalid,,,,,[Kr],
,,,KR:A:506,invalid,,,,,[Kr],
,,,KR:A:509,invalid,,,,,[Kr],
,,,KR:H:703,invalid,,,,,[Kr],
,,,KR:H:705,invalid,,,,,[Kr],
,,,KR:L:508,invalid,,,,,[Kr],
,,,KR:G:508,invalid,,,,,[Kr],
,,,KR:H:708,invalid,,,,,[Kr],
,,,KR:K:508,invalid,,,,,[Kr],
,,,KR:L:507,invalid,,,,,[Kr],
,,,KR:L:511,invalid,,,,,[Kr],
,,,KR:G:507,invalid,,,,,[Kr],
,,,KR:F:504,invalid,,,,,[Kr],
,,,KR:J:507,invalid,,,,,[Kr],
,,,KR:K:507,invalid,,,,,[Kr],
,,,KR:G:504,invalid,,,,,[Kr],
,,,KR:K:509,invalid,,,,,[Kr],
,,,KR:K:505,invalid,,,,,[Kr],
,,,KR:A:512,invalid,,,,,[Kr],
,,,KR:F:505,invalid,,,,,[Kr],
,,,KR:A:507,invalid,,,,,[Kr],
,,,KR:A:508,invalid,,,,,[Kr],
,,,KR:K:510,invalid,,,,,[Kr],
,,,KR:K:506,invalid,,,,,[Kr],
,,,KR:A:511,invalid,,,,,[Kr],
,,,KR:H:704,invalid,,,,,[Kr],
,,,KR:I:508,invalid,,,,,[Kr],
,,,KR:F:501,invalid,,,,,[Kr],
,,,KR:F:502,invalid,,,,,[Kr],
,,,KR:J:510,invalid,,,,,[Kr],
,,,KR:H:706,invalid,,,,,[Kr],
,,,KR:I:511,invalid,,,,,[Kr],
,,,KR:J:509,invalid,,,,,[Kr],
,,,KR:L:506,invalid,,,,,[Kr],
,,,KR:I:510,invalid,,,,,[Kr],
,,,KR:H:707,invalid,,,,,[Kr],
,,,KR:J:506,invalid,,,,,[Kr],
,,,KR:J:505,invalid,,,,,[Kr],
,,,KR:I:512,invalid,,,,,[Kr],
,,,KR:G:505,invalid,,,,,[Kr],
,,,26577_:L:502,invalid,,,,,,
,,,CL:L:510,invalid,,,,,[Cl-],
,,,CL:F:507,invalid,,,,,[Cl-],
,,,CL:H:710,invalid,,,,,[Cl-],
,,,CL:J:512,invalid,,,,,[Cl-],
,,,CL:K:512,invalid,,,,,[Cl-],
,,,CL:G:510,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,CL:I:516,invalid,,,,,[Cl-],
,,,HEZ:A:504,invalid,,,,,C(CCCO)CCO,
,,,HEZ:G:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:J:504,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:506,invalid,,,,,C(CCCO)CCO,
,,,HEZ:K:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:505,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:505,invalid,,,,,C(CCCO)CCO,
,,,HEZ:J:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:K:503,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:503,invalid,,,,,C(CCCO)CCO,
,,,HEZ:L:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:H:702,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:507,invalid,,,,,C(CCCO)CCO,
,,,HEZ:L:503,invalid,,,,,C(CCCO)CCO,
,,,HEZ:J:503,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:504,invalid,,,,,C(CCCO)CCO,
,,,HEZ:K:504,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:F:508,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:502,invalid,,,,,C(CCCO)CCO,
,,,HEZ:G:503,invalid,,,,,C(CCCO)CCO,
,,,26250_26251_:G:502,Part of Protein,,,,,,
,,,26575_26576_:L:502,Part of Protein,,,,,,
,,,FMN:H:709,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:515,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:513,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:506,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:L:509,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:511,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:K:511,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:509,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,26512_:K:502,invalid,,,,,,
,,,26447_:J:502,invalid,,,,,,
,,,26445_26446_:J:502,Part of Protein,,,,,,
,,,26363_26364_:I:503,Part of Protein,,,,,,
,,,26365_:I:503,invalid,,,,,,
,,,26128_26129_:A:502,Part of Protein,,,,,,
,,,26298_26299_:H:701,Part of Protein,,,,,,
,,,26130_:A:502,invalid,,,,,,
,,,26300_:H:701,invalid,,,,,,
,,,26239_26240_:F:509,Part of Protein,,,,,,
,,,26252_:G:502,invalid,,,,,,
,,,26241_:F:509,invalid,,,,,,
,,,26510_26511_:K:502,Part of Protein,,,,,,
,,6ZK8,,,,,,,
,,,FE:O:510,Part of Protein,,,,,[Fe+3],
,,,FE:A:607,Part of Protein,,,,,[Fe+3],
,,,FE:O:509,Part of Protein,,,,,[Fe+3],
,,,FE:A:614,Part of Protein,,,,,[Fe+3],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:601,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:O:502,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PEG:O:501,invalid,,,,,C(COCCO)O,
,,,FMN:A:608,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:O:511,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,1PE:A:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,6FRM,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:E:503,invalid,,,,,[Cl-],
,,,CL:H:505,invalid,,,,,[Cl-],
,,,CL:F:506,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:E:505,invalid,,,,,[Cl-],
,,,CL:G:506,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:H:506,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:F:505,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,,CL:E:504,invalid,,,,,[Cl-],
,,,CL:F:504,invalid,,,,,[Cl-],
,,,TB:E:502,invalid,,,,,[Tb+3],
,,,TB:D:503,invalid,,,,,[Tb+3],
,,,TB:H:503,invalid,,,,,[Tb+3],
,,,TB:D:502,invalid,,,,,[Tb+3],
,,,TB:F:503,invalid,,,,,[Tb+3],
,,,TB:D:504,invalid,,,,,[Tb+3],
,,,TB:C:503,invalid,,,,,[Tb+3],
,,,TB:C:502,invalid,,,,,[Tb+3],
,,,TB:A:503,invalid,,,,,[Tb+3],
,,,TB:G:502,invalid,,,,,[Tb+3],
,,,TB:B:502,invalid,,,,,[Tb+3],
,,,TB:H:502,invalid,,,,,[Tb+3],
,,,TB:G:503,invalid,,,,,[Tb+3],
,,,TB:G:504,invalid,,,,,[Tb+3],
,,,7MT:A:502,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,7MT:F:501,invalid,,,,,c1cc2[n+]3c(c1)C(=O)O[Tb]34567[n+]8c(cccc8C(=O)O4)C[N+]59CC[NH+]6CC[N+]7(C2)CC9,
,,,FE:C:504,Part of Protein,,,,,[Fe+3],
,,,FE:G:505,Part of Protein,,,,,[Fe+3],
,,,FE:H:504,Part of Protein,,,,,[Fe+3],
,,,FE:D:505,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6A6S,,,,,,,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FSA:A:502,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O,
,,,D1D:A:503,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:A:504,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,FAD:A:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6A6U,,,,,,,
,,,D1D:A:505,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:A:503,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:A:506,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:A:504,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FSA:A:502,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O,
,,,FAD:A:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2BLF,,,,,,,
,,,HEC:B:601,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MSS:A:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C9X,,,,,,,
,,,HEC:B:1582,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MSS:A:1374,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,SO4:A:1375,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CA3,,,,,,,
,,,HEC:B:1582,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MSS:A:1374,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,SO4:A:1375,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1376,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BPB,,,,,,,
,,,HEC:B:1582,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MSS:A:1374,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,2CA4,,,,,,,
,,,HEC:B:1582,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MSS:A:1374,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,Family. Representative Entry is ,3GD4,,,,,,,
,,,FAD:A:1611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1GV4,,,,,,,
,,,FAD:A:1611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5FS8,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4FDC,,,,,,,
,,,FAD:B:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5FS7,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5KVI,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EPE:A:702,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,5FS9,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5UXF,,,,,,,
,,,2BA:A:401,valid,Kd,=,87,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,6M7K,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,A   A   G  :B:1,valid,,,,,,
,Family. Representative Entry is ,4ZXA,,,,,,,
,,,CD:X:401,invalid,,,,,[Cd+2],
,,,CD:Z:401,invalid,,,,,[Cd+2],
,,,CD:W:401,invalid,,,,,[Cd+2],
,,,CD:Y:401,invalid,,,,,[Cd+2],
,,,H8N:X:402,valid,,,,,c1cc(ccc1C#N)O,
,,,H8N:Z:402,valid,,,,,c1cc(ccc1C#N)O,
,,,H8N:Y:402,valid,,,,,c1cc(ccc1C#N)O,
,,,H8N:W:402,valid,,,,,c1cc(ccc1C#N)O,
,Family. Representative Entry is ,6ZXX,,,,,,,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:C:804,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,B12:C:803,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:A:703,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:703,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,QSB:C:806,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,,,QSB:B:706,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,,,QSB:A:706,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,,,SF4:B:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BR:A:707,invalid,,,,,[Br-],
,,,BR:C:807,invalid,,,,,[Br-],
,,,BR:B:707,invalid,,,,,[Br-],
,,,QSH:B:705,valid,,,,,c1c(cc(c(c1Br)O)Br)C(=O)O,
,,,QSH:A:705,valid,,,,,c1c(cc(c(c1Br)O)Br)C(=O)O,
,,,QSH:C:805,valid,,,,,c1c(cc(c(c1Br)O)Br)C(=O)O,
,,6ZY1,,,,,,,
,,,SF4:A:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:C:704,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,B12:B:703,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:A:703,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:703,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,QSB:A:705,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,,,QSB:B:705,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,,,QSB:C:705,valid,,,,,c1cc(c(cc1C(=O)O)Br)O,
,Family. Representative Entry is ,4YVN,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EBS:A:604,valid,,,,,CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:A:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,,1OF0,,,,,,,
,,,4050_:A:1514,Part of Protein,,,,,,
,,,4051_:A:1514,invalid,,,,,,
,,,CU1:A:1511,Part of Protein,,,,,[Cu+],
,,,CU1:A:1512,Part of Protein,,,,,[Cu+],
,,,CU1:A:1513,Part of Protein,,,,,[Cu+],
,,,EBS:A:1518,valid,,,,,CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,OXY:A:1515,invalid,,,,,O=O,
,,3ZDW,,,,,,,
,,,CU1:A:1511,Part of Protein,,,,,[Cu+],
,,,CU1:A:1512,Part of Protein,,,,,[Cu+],
,,,CU1:A:1513,Part of Protein,,,,,[Cu+],
,,,CU1:A:1514,Part of Protein,,,,,[Cu+],
,,,EBS:A:1516,valid,,,,,CCN1c2ccc(cc2SC1=NN=C3N(c4ccc(cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O,
,,,GOL:A:1519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1525,invalid,,,,,C(C(CO)O)O,
,,,GOL GOL:A:1521,invalid,,,,,,
,,,OXY:A:1515,invalid,,,,,O=O,
,Family. Representative Entry is ,3AXB,,,,,,,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3002,invalid,,,,,C(CO)O,
,,,EDO:A:3003,invalid,,,,,C(CO)O,
,,,EDO:A:3004,invalid,,,,,C(CO)O,
,,,EDO:A:3005,invalid,,,,,C(CO)O,
,,,EDO:A:3006,invalid,,,,,C(CO)O,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PRO:A:2001,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,3VQR,,,,,,,
,,,ACT:A:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1002,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6KJI,,,,,,,
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1UHK,,,,,,,
,,,CZN:A:1001,valid,,,,,c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO,
,,,CZN:B:2001,valid,,,,,c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc6ccccc6c5)OO,
,,1UHH,,,,,,,
,,,CZP:A:1001,valid,,,,,c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O,
,,,CZP:B:2001,valid,,,,,c1cc(ccc1C[C@@]2(C(=O)N3C=C(NC(C3=N2)CC4CCCC4)c5ccc(cc5)O)OO)O,
,,5ZAB,,,,,,,
,,,9A3:L:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:I:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:B:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:F:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:J:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:N:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:K:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:D:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:P:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:H:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:M:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:C:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:G:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:O:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,,9A3:E:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)C(F)(F)F)OO)c5ccc(cc5)O,
,,1UHJ,,,,,,,
,,,CZB:A:1001,valid,,,,,c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO,
,,,CZB:B:2001,valid,,,,,c1ccc(cc1)CC2C3=N[C@@](C(=O)N3C=C(N2)c4ccc(cc4)O)(Cc5ccc(cc5)Br)OO,
,,1EJ3,,,,,,,
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,,,CZH:B:301,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,Family. Representative Entry is ,4BV6,,,,,,,
,,,GOL:A:1611,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1M6I,,,,,,,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5FS6,,,,,,,
,,,TRS:B:7000,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:7001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5KVH,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6U0P,,,,,,,
,,,GOL:D:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:C:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:603,invalid,,,,,C(COCCOCCO)O,
,,,CL:F:606,invalid,,,,,[Cl-],
,,,CL:C:605,invalid,,,,,[Cl-],
,,,CL:D:605,invalid,,,,,[Cl-],
,,,CL:E:605,invalid,,,,,[Cl-],
,,,CL:C:606,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:D:606,invalid,,,,,[Cl-],
,,,CL:E:606,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,1PE:E:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6GNA,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6GNB,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4I9B,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,1KA:A:605,invalid,,,,,C(COCC=O)O,
,,,1KA:B:604,valid,,,,,C(COCC=O)O,
,,,PEG:B:603,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4L1F,,,,,,,
,,,COS:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O,
,,,COS:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSS)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:404,invalid,,,,,[Na+],
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4K28,,,,,,,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:305,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:B:302,invalid,,,,,[Na+],
,Family. Representative Entry is ,4Z3X,,,,,,,
,,,UNL:C:705,invalid,,,,,NULL,
,,,UNL:D:701,invalid,,,,,NULL,
,,,UNL:A:706,invalid,,,,,NULL,
,,,UNL:B:705,invalid,,,,,NULL,
,,,MTE:C:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,MG:A:705,Part of Protein,,,,,[Mg+2],
,,,MG:C:704,Part of Protein,,,,,[Mg+2],
,,,SF4:F:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,W:D:705,Part of Protein,,,,,[W+6],
,,,W:C:706,Part of Protein,,,,,[W+6],
,,,W:B:704,Part of Protein,,,,,[W+6],
,,,W:A:704,Part of Protein,,,,,[W+6],
,,,PGE:A:707,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:707,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:708,invalid,,,,,C(COCCOCCO)O,
,,,4KX:A:709,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:C:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:B:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:D:709,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,PG4:D:708,invalid,,,,,C(COCCOCCOCCO)O,
,,4Z3Y,,,,,,,
,,,UNL:C:705,invalid,,,,,NULL,
,,,UNL:D:701,invalid,,,,,NULL,
,,,UNL:A:706,invalid,,,,,NULL,
,,,UNL:B:705,invalid,,,,,NULL,
,,,MTE:C:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,MG:A:705,Part of Protein,,,,,[Mg+2],
,,,MG:C:704,Part of Protein,,,,,[Mg+2],
,,,SF4:F:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,W:D:705,Part of Protein,,,,,[W+6],
,,,W:C:706,Part of Protein,,,,,[W+6],
,,,W:B:704,Part of Protein,,,,,[W+6],
,,,W:A:704,Part of Protein,,,,,[W+6],
,,,BYC:C:707,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:A:707,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:D:707,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:B:707,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,4Z40,,,,,,,
,,,MTE:C:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,MG:C:706,Part of Protein,,,,,[Mg+2],
,,,MG:A:706,Part of Protein,,,,,[Mg+2],
,,,SF4:F:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ZN:B:707,Part of Protein,,,,,[Zn+2],
,,,ZN:A:707,Part of Protein,,,,,[Zn+2],
,,,ZN:C:707,Part of Protein,,,,,[Zn+2],
,,,ZN:D:707,Part of Protein,,,,,[Zn+2],
,,,UNL:C:701,invalid,,,,,NULL,
,,,UNL:D:701,invalid,,,,,NULL,
,,,UNL:B:701,invalid,,,,,NULL,
,,,UNL:A:701,invalid,,,,,NULL,
,,,W:D:705,Part of Protein,,,,,[W+6],
,,,W:A:705,Part of Protein,,,,,[W+6],
,,,W:C:705,Part of Protein,,,,,[W+6],
,,,W:B:705,Part of Protein,,,,,[W+6],
,,4Z3W,,,,,,,
,,,UNL:C:705,invalid,,,,,NULL,
,,,UNL:D:701,invalid,,,,,NULL,
,,,UNL:B:706,invalid,,,,,NULL,
,,,UNL:A:706,invalid,,,,,NULL,
,,,MTE:C:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:A:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:703,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:704,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:702,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:A:705,Part of Protein,,,,,[Mg+2],
,,,MG:C:704,Part of Protein,,,,,[Mg+2],
,,,SF4:F:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,W:D:705,Part of Protein,,,,,[W+6],
,,,W:C:706,Part of Protein,,,,,[W+6],
,,,W:B:704,Part of Protein,,,,,[W+6],
,,,W:A:704,Part of Protein,,,,,[W+6],
,,,4KX:C:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:D:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:B:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,,,4KX:A:707,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O,
,Family. Representative Entry is ,3WMX,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,THR:B:402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:A:402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,4XJ2,,,,,,,
,,,FMN:A:501,valid,Kd,=,3.7,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2BMR,,,,,,,
,,,3NT:A:1442,valid,,,,,Cc1cccc(c1)[N+](=O)[O-],
,,,EDO:A:1443,invalid,,,,,C(CO)O,
,,,EDO:A:1444,invalid,,,,,C(CO)O,
,,,EDO:A:1445,invalid,,,,,C(CO)O,
,,,EDO:B:1197,invalid,,,,,C(CO)O,
,,,EDO:B:1198,invalid,,,,,C(CO)O,
,,,EDO:B:1199,invalid,,,,,C(CO)O,
,,,EOH:A:1446,invalid,,,,,CCO,
,,,EOH:A:1447,invalid,,,,,CCO,
,,,EOH:A:1448,invalid,,,,,CCO,
,,,EOH:A:1449,invalid,,,,,CCO,
,,,EOH:A:1450,invalid,,,,,CCO,
,,,EOH:B:1200,invalid,,,,,CCO,
,,,EOH:B:1201,invalid,,,,,CCO,
,,,EOH:B:1202,invalid,,,,,CCO,
,,,EOH:B:1203,invalid,,,,,CCO,
,,,FE:A:1441,Part of Protein,,,,,[Fe+3],
,,,FES:A:1440,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NI:B:1195,Part of Protein,,,,,[Ni+2],
,,,NI:B:1196,Part of Protein,,,,,[Ni+2],
,,2BMQ,,,,,,,
,,,EDO:A:1443,invalid,,,,,C(CO)O,
,,,EDO:A:1444,invalid,,,,,C(CO)O,
,,,EDO:B:1197,invalid,,,,,C(CO)O,
,,,EDO:B:1198,invalid,,,,,C(CO)O,
,,,EDO:B:1199,invalid,,,,,C(CO)O,
,,,EDO:B:1200,invalid,,,,,C(CO)O,
,,,EOH:A:1445,invalid,,,,,CCO,
,,,EOH:A:1446,invalid,,,,,CCO,
,,,EOH:A:1447,invalid,,,,,CCO,
,,,EOH:A:1448,invalid,,,,,CCO,
,,,EOH:B:1201,invalid,,,,,CCO,
,,,EOH:B:1202,invalid,,,,,CCO,
,,,FE:A:1441,Part of Protein,,,,,[Fe+3],
,,,FES:A:1440,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NBZ:A:1442,valid,,,,,c1ccc(cc1)[N+](=O)[O-],
,,,NI:B:1195,Part of Protein,,,,,[Ni+2],
,,,NI:B:1196,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5MQ6,,,,,,,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FAD:A:700,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5XEG,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,5XOI,,,,,,,
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3R5W,,,,,,,
,,,F42:A:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:C:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:D:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:E:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:K:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:L:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:M:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:N:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:O:201,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,3R5R,,,,,,,
,,,F42:A:1,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:1,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:C:1,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:D:1,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:E:1,valid,Kd,=,1,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,Family. Representative Entry is ,5WQP,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NCA:A:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NA:A:303,invalid,,,,,[Na+],
,,5WQO,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6NET,,,,,,,
,,,GOL:B:2202,invalid,,,,,C(C(CO)O)O,
,,,KJY:A:502,valid,Kd,=,21,uM,Cc1cc(c(c(c1C=O)O)C)O,
,,,KJY:B:2201,valid,Kd,=,21,uM,Cc1cc(c(c(c1C=O)O)C)O,
,,,KJY:A:501,valid,Kd,=,21,uM,Cc1cc(c(c(c1C=O)O)C)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:2204,invalid,,,,,[Cl-],
,,,FAD:B:2203,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6NEU,,,,,,,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6NEV,,,,,,,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6NES,,,,,,,
,,,HEZ:A:601,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:503,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:501,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:602,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:502,invalid,,,,,C(CCCO)CCO,
,,,FAD:B:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4O0L,,,,,,,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3T31,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:503,invalid,,,,,S,
,,,H2S:A:504,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,3T2Z,,,,,,,
,,,BU2:A:502,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:B:501,invalid,,,,,C[C@@H](CCO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:440,invalid,,,,,S,
,,,H2S:A:441,invalid,,,,,S,
,,,H2S:A:443,invalid,,,,,S,
,,,H2S:A:444,invalid,,,,,S,
,,,H2S:A:445,invalid,,,,,S,
,,,H2S:B:441,invalid,,,,,S,
,,,H2S:B:443,invalid,,,,,S,
,,,H2S:B:444,invalid,,,,,S,
,,,H2S:B:445,invalid,,,,,S,
,,,H2S:B:447,invalid,,,,,S,
,,,S3H:A:442,invalid,,,,,SSS,
,,,S3H:B:442,invalid,,,,,SSS,
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T2Y,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:504,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,S2H:A:505,invalid,,,,,SS,
,,3SXI,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,H2S:A:508,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SZW,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:504,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KPK,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:502,invalid,,,,,S,
,,,H2S:A:503,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PGR:A:504,invalid,,,,,C[C@H](CO)O,
,,3SY4,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:502,invalid,,,,,S,
,,,H2S:A:503,invalid,,,,,S,
,,,H2S:A:504,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T14,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:504,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,S2H:A:505,invalid,,,,,SS,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SYI,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:502,invalid,,,,,S,
,,,H2S:A:503,invalid,,,,,S,
,,,H2S:A:504,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SZF,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:503,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,S3H:A:504,invalid,,,,,SSS,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T2K,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,S3H:A:503,invalid,,,,,SSS,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T0K,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:504,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,S3H:A:503,invalid,,,,,SSS,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SZC,,,,,,,
,,,AU:A:503,invalid,,,,,[Au+],
,,,AU:A:504,invalid,,,,,[Au+],
,,,AU:A:505,invalid,,,,,[Au+],
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:508,invalid,,,,,S,
,,,H2S:A:509,invalid,,,,,S,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SX6,,,,,,,
,,,DCQ:A:502,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:507,invalid,,,,,S,
,,,H2S:A:508,invalid,,,,,S,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SZ0,,,,,,,
,,,6SE:A:503,invalid,,,,,[SeH][Se][SeH],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,LMT:A:501,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SE:A:504,Part of Protein,,,,,[SeH2],
,,,SE:A:505,Part of Protein,,,,,[SeH2],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VZ3,,,,,,,
,,,SSN:B:501,valid,,,,,C(CC(=O)O)C=O,
,,,SSN:A:501,valid,,,,,C(CC(=O)O)C=O,
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4ITB,,,,,,,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SSN:A:502,invalid,,,,,C(CC(=O)O)C=O,
,,,SSN:B:502,invalid,,,,,C(CC(=O)O)C=O,
,Family. Representative Entry is ,7CP6,,,,,,,
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:507,invalid,,,,,[I-],
,,,IOD:B:506,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,7CP7,,,,,,,
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1T0S,,,,,,,
,,,BML:A:503,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:504,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:505,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:506,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:331,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:332,valid,,,,,c1cc(ccc1O)Br,
,,,FE:A:499,Part of Protein,,,,,[Fe+3],
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,MCR:A:502,invalid,,,,,C(C(=O)O)S,
,,,OH:A:501,invalid,,,,,[OH-],
,Family. Representative Entry is ,6C85,,,,,,,
,,,PLQ:A:401,valid,,,,,C1=CC(=O)C=CC1=O,
,,,PLQ:B:401,valid,,,,,C1=CC(=O)C=CC1=O,
,Family. Representative Entry is ,5J62,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2WL9,,,,,,,
,,,FE:A:1301,Part of Protein,,,,,[Fe+3],
,,,FE:B:1300,Part of Protein,,,,,[Fe+3],
,,,FE:C:1300,Part of Protein,,,,,[Fe+3],
,,,FE:D:1301,Part of Protein,,,,,[Fe+3],
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1302,invalid,,,,,C(C(CO)O)O,
,,,MBD:B:1301,valid,,,,,Cc1cccc(c1O)O,
,,,MBD:D:1303,valid,,,,,Cc1cccc(c1O)O,
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5T79,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3Q9T,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,FAY:A:600,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAY:B:600,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAY:C:600,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:C:1,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:581,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:582,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PEG:B:1,invalid,,,,,C(COCCO)O,
,,5ZU2,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:B:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,5ZU3,,,,,,,
,,,FAY:C:601,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAY:A:601,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAY:B:601,valid,,,,,Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:B:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1VPD,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,TLA:A:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5UMW,,,,,,,
,,,RBF:B:201,valid,Kd,=,59500,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:F:201,valid,Kd,=,59500,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,4YAC,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,6J39,,,,,,,
,,,B6X:A:502,valid,Ki,=,6,uM,CCCCCC[C@H](CC(=O)O)SCC(=O)O,
,,,B6X:B:502,valid,Ki,=,6,uM,CCCCCC[C@H](CC(=O)O)SCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6J38,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5J6C,,,,,,,
,,,IMD:A:202,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:202,invalid,,,,,c1c[nH+]c[nH]1,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6ISV,,,,,,,
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6DAM,,,,,,,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,LA:A:701,invalid,,,,,[La+3],
,,,PQQ:A:702,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,6NPC,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KVV:A:403,valid,,,,,C[N+](C)(C)CCP(=O)(O)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,6NPD,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,KVP:A:402,valid,,,,,C[N+](C)(C)C[C@H](O)P(=O)(O)O,
,,6NPB,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,1T9M,,,,,,,
,,,ACY:B:301,invalid,,,,,CC(=O)O,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6TTN,,,,,,,
,,,UNX:A:512,invalid,,,,,*,
,,,UNX:A:510,invalid,,,,,*,
,,,UNX:A:511,invalid,,,,,*,
,,,NI:A:508,Part of Protein,,,,,[Ni+2],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,HYO:A:506,valid,,,,,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3,
,,,SR:A:507,invalid,,,,,[Sr+2],
,,,OGA:A:501,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,6TTO,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,NA:A:416,Part of Protein,,,,,[Na+],
,,,SR:A:414,invalid,,,,,[Sr+2],
,,,SR:A:415,invalid,,,,,[Sr+2],
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,NI:A:413,Part of Protein,,,,,[Ni+2],
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,6VGC,,,,,,,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,QY1:E:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,QY1:F:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,QY1:A:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,QY1:B:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,QY1:D:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,QY1:C:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,BOG:F:202,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3EAU,,,,,,,
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PDN:A:501,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,,PDN:A:601,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,3EB4,,,,,,,
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PDN:A:501,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,3EB3,,,,,,,
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PDN:A:601,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,1ZSX,,,,,,,
,,,CL:A:347,invalid,,,,,[Cl-],
,,,CL:A:348,invalid,,,,,[Cl-],
,,,CL:A:349,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6SW1,,,,,,,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,FAD:A:501,valid,Kd,=,37.5,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2X3N,,,,,,,
,,,FAD:A:1371,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FHO,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6SW2,,,,,,,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:410,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:408,invalid,,,,,C(COCCOCCO)O,
,,,FAD:A:401,valid,Kd,=,259.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,MES:A:405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,61M:A:402,valid,Kd,=,38.44,uM,c1ccc(c(c1)C(=O)CC(=O)O)N,
,Family. Representative Entry is ,1R2J,,,,,,,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1VHN,,,,,,,
,,,FMN:A:322,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5U97,,,,,,,
,,,DMS:C:603,invalid,,,,,CS(=O)C,
,,,DMS:D:604,invalid,,,,,CS(=O)C,
,,,DMS:B:603,invalid,,,,,CS(=O)C,
,,,PIT:D:603,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:A:602,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:D:602,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:B:604,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:B:602,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:C:604,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:D:605,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:A:603,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:A:604,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,PIT:C:602,valid,,,,,c1cc(c(cc1C=Cc2cc(cc(c2)O)O)O)O,
,,,CO:C:601,Part of Protein,,,,,[Co+2],
,,,CO:D:601,Part of Protein,,,,,[Co+2],
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,CO:B:601,Part of Protein,,,,,[Co+2],
,,5U90,,,,,,,
,,,DMS:D:605,invalid,,,,,CS(=O)C,
,,,DMS:B:606,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:D:604,invalid,,,,,CS(=O)C,
,,,DMS:B:607,invalid,,,,,CS(=O)C,
,,,DMS:D:603,invalid,,,,,CS(=O)C,
,,,DMS:B:604,invalid,,,,,CS(=O)C,
,,,DMS:B:603,invalid,,,,,CS(=O)C,
,,,DMS:B:605,invalid,,,,,CS(=O)C,
,,,STL:C:603,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:A:605,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:A:602,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:D:607,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:A:606,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:C:602,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:D:602,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:B:602,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:D:606,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:A:607,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,CO:C:601,Part of Protein,,,,,[Co+2],
,,,CO:D:601,Part of Protein,,,,,[Co+2],
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,CO:B:601,Part of Protein,,,,,[Co+2],
,,5U8Z,,,,,,,
,,,83D:D:602,valid,,,,,c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O,
,,,83D:C:602,valid,,,,,c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O,
,,,83D:A:602,valid,,,,,c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O,
,,,83D:B:602,valid,,,,,c1cc(ccc1/C(=C/c2cc(cc(c2)O)O)/F)O,
,,,FE2:B:601,Part of Protein,,,,,[Fe+2],
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,FE2:C:601,Part of Protein,,,,,[Fe+2],
,,,FE2:D:601,Part of Protein,,,,,[Fe+2],
,,,CL:D:603,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:C:603,invalid,,,,,[Cl-],
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:D:604,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,5N5S,,,,,,,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:D:502,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,NAP:A:600,valid,Kd,=,31,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:502,valid,Kd,=,31,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:501,valid,Kd,=,31,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:503,valid,Kd,=,31,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MZ8,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:C:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:511,invalid,,,,,C(COCCO)O,
,,,PEG:B:517,invalid,,,,,C(COCCO)O,
,,,PEG:C:514,invalid,,,,,C(COCCO)O,
,,,PEG:A:512,invalid,,,,,C(COCCO)O,
,,,PEG:A:513,invalid,,,,,C(COCCO)O,
,,,PEG:C:513,invalid,,,,,C(COCCO)O,
,,,PEG:D:511,invalid,,,,,C(COCCO)O,
,,,SIN:A:501,valid,Kd,=,4.9,mM,C(CC(=O)O)C(=O)O,
,,,SIN:D:502,valid,Kd,=,4.9,mM,C(CC(=O)O)C(=O)O,
,,,SIN:B:501,valid,Kd,=,4.9,mM,C(CC(=O)O)C(=O)O,
,,,SIN:C:501,valid,Kd,=,4.9,mM,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,6PVJ,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OZA:A:502,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Br)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,6PVI,,,,,,,
,,,OZ7:A:501,valid,,,,,C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)OC=CC(O7)(C)C)NC3=O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6PVG,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6PVF,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MB5:A:502,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,6PVH,,,,,,,
,,,OZ4:A:501,valid,,,,,C[C@H]1CCN2[C@]13C[C@@H]4[C@](C2)(Cc5c6ccc7c(c6[nH]c5C4(C)C)C=CC(O7)(C)C)NC3=O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2RDQ,,,,,,,
,,,AKG:A:269,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:1,Part of Protein,,,,,[Fe+3],
,,,MG:A:267,invalid,,,,,[Mg+2],
,,,MG:A:268,invalid,,,,,[Mg+2],
,,2RDR,,,,,,,
,,,FE:A:1,Part of Protein,,,,,[Fe+3],
,,,MG:A:267,invalid,,,,,[Mg+2],
,,,OGA:A:268,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,2RDS,,,,,,,
,,,1PL:A:269,valid,,,,,C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C,
,,,FE:A:1,Part of Protein,,,,,[Fe+3],
,,,MG:A:266,invalid,,,,,[Mg+2],
,,,MG:A:267,invalid,,,,,[Mg+2],
,,,OGA:A:268,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,2RDN,,,,,,,
,,,1PL:A:280,valid,,,,,C[C@H]1CC[C@H]2[C@@]13CC(C[C@@H]3C=C2C(=O)O)(C)C,
,,,AKG:A:279,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:1,Part of Protein,,,,,[Fe+3],
,,,MG:A:277,invalid,,,,,[Mg+2],
,,,MG:A:278,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6TBX,,,,,,,
,,,N0Z:A:302,valid,Ki,=,83,uM,c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N,
,,,N0Z:D:302,valid,Ki,=,83,uM,c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N,
,,,N0Z:B:302,valid,Ki,=,83,uM,c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N,
,,,N0Z:C:303,valid,Ki,=,83,uM,c1cc2c(cc1O)c3c(nc(nc3[nH]2)N)N,
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5ACI,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,Kd,=,3.7,uM,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5NLS,,,,,,,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,NA:A:311,invalid,,,,,[Na+],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,5NLP,,,,,,,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,XYS XYP:C:1,valid,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XYP:A:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,5NKW,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:319,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:318,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,BMA BMA BMA:A:331,valid,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BMA BGC BGC BMA BGC:A:330,valid,,,,,,
,,,BMA BGC BMA BGC BGC BMA BGC:B:1,valid,,,,,,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,BMA BMA BGC:C:1,valid,,,,,,
,,5ACF,,,,,,,
,,,CL:A:1236,invalid,,,,,[Cl-],
,,,CL:A:1244,invalid,,,,,[Cl-],
,,,CL:A:1237,invalid,,,,,[Cl-],
,,,CL:A:1242,invalid,,,,,[Cl-],
,,,CL:A:1239,invalid,,,,,[Cl-],
,,,CL:A:1238,invalid,,,,,[Cl-],
,,,CL:A:1240,invalid,,,,,[Cl-],
,,,CL:A:1245,invalid,,,,,[Cl-],
,,,CL:A:1241,invalid,,,,,[Cl-],
,,,CL:A:1243,invalid,,,,,[Cl-],
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5N05,,,,,,,
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,5NLR,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,5NLO,,,,,,,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,5NLN,,,,,,,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5ACJ,,,,,,,
,,,CL:A:1242,invalid,,,,,[Cl-],
,,,CL:A:1237,invalid,,,,,[Cl-],
,,,CL:A:1239,invalid,,,,,[Cl-],
,,,CL:A:1238,invalid,,,,,[Cl-],
,,,CL:A:1240,invalid,,,,,[Cl-],
,,,CL:A:1241,invalid,,,,,[Cl-],
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5NLQ,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,XYP:A:309,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS XYP XYP:D:1,valid,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6YDG,,,,,,,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CL:A:307,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5AWV,,,,,,,
,,,GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN:I:1,valid,,,,,Clc1c2Oc3c(O)c4Oc5c(Cl)cc(cc5)CC5C(=O)NC(C(=O)NC(C(=O)NC6C(=O)NC(C(=O)NC(C(=O)[O-])c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(OC6C(NC(=O)C)C(O)C(O)C(CO)O6)c(c1)cc2)c(c3)c4)c1cc(O)cc(Oc2c(O)ccc(C([NH3+])C(=O)N5)c2)c1,
,,,GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN:J:1,valid,,,,,Clc1c2Oc3c(O)c4Oc5c(Cl)cc(cc5)CC5C(=O)NC(C(=O)NC(C(=O)NC6C(=O)NC(C(=O)NC(C(=O)[O-])c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(OC6C(NC(=O)C)C(O)C(O)C(CO)O6)c(c1)cc2)c(c3)c4)c1cc(O)cc(Oc2c(O)ccc(C([NH3+])C(=O)N5)c2)c1,
,,,CIT:D:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:603,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:O:105,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FAD:D:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:M:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:J:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:L:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:I:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:N:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:K:1,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,Family. Representative Entry is ,5D9X,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CA:A:302,invalid,,,,,[Ca+2],
,,5D9W,,,,,,,
,,,ASC:A:301,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,Family. Representative Entry is ,4GUS,,,,,,,
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,IOD:A:907,invalid,,,,,[I-],
,,,IOD:A:906,invalid,,,,,[I-],
,,,IOD:A:902,invalid,,,,,[I-],
,,,IOD:A:904,invalid,,,,,[I-],
,,,IOD:A:905,invalid,,,,,[I-],
,,,IOD:A:903,invalid,,,,,[I-],
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3LF2,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Z41,,,,,,,
,,,FMN:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4M5P,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MLA:A:502,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:507,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:503,invalid,,,,,C(C(=O)O)C(=O)O,
,,,NA:A:506,invalid,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,23W:A:508,valid,,,,,COC(=O)C(=C)CO,
,Family. Representative Entry is ,3CGB,,,,,,,
,,,COA:A:445,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:445,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5K53,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FE:B:500,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,STE:A:502,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:502,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3WG6,,,,,,,
,,,NDP:B:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5HV0,,,,,,,
,,,CD:B:304,invalid,,,,,[Cd+2],
,,,CD:A:308,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:A:309,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:B:305,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:A:306,invalid,,,,,[Cd+2],
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:307,invalid,,,,,[Cd+2],
,,,AKG:B:306,valid,Kd,=,1.1,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:310,valid,Kd,=,1.1,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,K:A:311,Part of Protein,,,,,[K+],
,,5HV4,,,,,,,
,,,AKG:A:306,valid,Kd,=,1.1,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,K:A:308,Part of Protein,,,,,[K+],
,,,K:A:312,Part of Protein,,,,,[K+],
,,,K:A:310,Part of Protein,,,,,[K+],
,,,K:A:307,Part of Protein,,,,,[K+],
,,,K:A:309,Part of Protein,,,,,[K+],
,,,K:A:311,Part of Protein,,,,,[K+],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,5IAV,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,MLI:A:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5V7Y,,,,,,,
,,,TFA:D:305,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,TFA:C:303,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,TFA:A:303,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,CO:D:301,Part of Protein,,,,,[Co+2],
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,CO:C:301,Part of Protein,,,,,[Co+2],
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,IMD:D:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,MPD:D:306,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5IAX,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,BME:A:303,invalid,,,,,C(CS)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,1B8U,,,,,,,
,,,NAD:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OAA:A:350,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,1B8V,,,,,,,
,,,NAD:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6K8T,,,,,,,
,,,SO4:B:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,COA:B:1301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6K8U,,,,,,,
,,,SO4:B:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:B:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3KJI,,,,,,,
,,,ADP:A:256,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:256,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:255,Part of Protein,,,,,[Zn+2],
,,,ZN:B:255,Part of Protein,,,,,[Zn+2],
,,3KJG,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4AUT,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6NOR,,,,,,,
,,,NAD:D:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:401,valid,Kd,=,7.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4YDD,,,,,,,
,,,SF4:B:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:E:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:E:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:E:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:E:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:E:1009,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:C:1007,invalid,,,,,C(CO)O,
,,,EDO:F:405,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:E:1007,invalid,,,,,C(CO)O,
,,,MGD:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MD1:E:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:C:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MO:E:1002,Part of Protein,,,,,[Mo],
,,,MO:A:1002,Part of Protein,,,,,[Mo],
,,,MO:C:1002,Part of Protein,,,,,[Mo],
,,,F3S:F:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,NA:B:407,invalid,,,,,[Na+],
,,,GOL:C:1006,invalid,,,,,C(C(CO)O)O,
,,,PEG:C:1008,invalid,,,,,C(COCCO)O,
,,5E7O,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:F:401,invalid,,,,,C(CO)O,
,,,EDO:I:1006,invalid,,,,,C(CO)O,
,,,EDO:E:1005,invalid,,,,,C(CO)O,
,,,EDO:I:1005,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:L:405,invalid,,,,,C(CO)O,
,,,EDO:G:1005,invalid,,,,,C(CO)O,
,,,EDO:J:405,invalid,,,,,C(CO)O,
,,,EDO:F:406,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:K:1005,invalid,,,,,C(CO)O,
,,,EDO:G:1006,invalid,,,,,C(CO)O,
,,,EDO:H:407,invalid,,,,,C(CO)O,
,,,EDO:K:1006,invalid,,,,,C(CO)O,
,,,EDO:L:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:G:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:G:1008,invalid,,,,,C(CO)O,
,,,EDO:H:405,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:H:406,invalid,,,,,C(CO)O,
,,,EDO:C:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:E:1007,invalid,,,,,C(CO)O,
,,,MGD:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:I:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:G:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:K:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:405,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:405,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:J:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:J:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:J:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MO:I:1002,Part of Protein,,,,,[Mo],
,,,MO:A:1002,Part of Protein,,,,,[Mo],
,,,MO:K:1002,Part of Protein,,,,,[Mo],
,,,MO:C:1002,Part of Protein,,,,,[Mo],
,,,MO:E:1002,Part of Protein,,,,,[Mo],
,,,MO:G:1002,Part of Protein,,,,,[Mo],
,,,MD1:G:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:I:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:K:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:E:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:C:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,F3S:J:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:L:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:402,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:H:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:F:402,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1006,invalid,,,,,C(C(CO)O)O,
,,5CH7,,,,,,,
,,,SF4:B:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:405,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:E:1005,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,EDO:E:1006,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:F:406,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:F:405,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:E:1007,invalid,,,,,C(CO)O,
,,,MGD:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SO3:A:1011,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:1013,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:E:1008,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:1009,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:1010,invalid,,,,,[O-]S(=O)[O-],
,,,NA:E:1009,invalid,,,,,[Na+],
,,,NA:A:1008,invalid,,,,,[Na+],
,,,NA:C:1007,invalid,,,,,[Na+],
,,,NA:F:407,invalid,,,,,[Na+],
,,,MD1:E:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:C:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MO:E:1002,Part of Protein,,,,,[Mo],
,,,MO:A:1002,Part of Protein,,,,,[Mo],
,,,MO:C:1002,Part of Protein,,,,,[Mo],
,,,F3S:F:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:402,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,ZN:A:1009,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1011,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1010,Part of Protein,,,,,[Zn+2],
,,,ACT:C:1008,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,5CHC,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:C:1008,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:E:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:F:406,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:F:405,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:C:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:E:1007,invalid,,,,,C(CO)O,
,,,MGD:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SO3:E:1009,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:1010,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:1014,invalid,,,,,[O-]S(=O)[O-],
,,,SF4:A:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NA:E:1011,Part of Protein,,,,,[Na+],
,,,NA:B:406,invalid,,,,,[Na+],
,,,NA:E:1010,invalid,,,,,[Na+],
,,,NA:A:1015,invalid,,,,,[Na+],
,,,NA:E:1012,invalid,,,,,[Na+],
,,,NA:C:1011,invalid,,,,,[Na+],
,,,NA:C:1012,Part of Protein,,,,,[Na+],
,,,NA:A:1016,invalid,,,,,[Na+],
,,,F3S:F:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,ZN:A:1017,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1013,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1013,Part of Protein,,,,,[Zn+2],
,,,MO:A:1002,Part of Protein,,,,,[Mo],
,,,MO:C:1002,Part of Protein,,,,,[Mo],
,,,MO:E:1002,Part of Protein,,,,,[Mo],
,,,BSY:A:1013,invalid,,,,,O[Se](=O)[O-],
,,,BSY:C:1009,invalid,,,,,O[Se](=O)[O-],
,,,BSY:E:1008,invalid,,,,,O[Se](=O)[O-],
,,,MD1:A:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:E:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:C:1004,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,GOL:E:1006,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4B7S,,,,,,,
,,,SO4:B:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1418,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1419,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1416,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QLE:A:1408,valid,Kd,=,81,uM,CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C,
,,,QLE:B:1408,valid,Kd,=,81,uM,CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CCN(C)C)C)C)C,
,,2WHW,,,,,,,
,,,1D4:A:1410,valid,Kd,=,218,uM,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C,
,,,1D4:B:1410,valid,Kd,=,218,uM,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCCC2)O)N(C)C,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:B:1408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C7X,,,,,,,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NRB:A:1408,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,2C6H,,,,,,,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1408,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PXI:A:1408,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,,PXI:B:1409,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,,SO4:A:1430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CD8,,,,,,,
,,,HEM:A:419,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:419,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PXI:A:420,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,,PXI:B:420,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O[C@@H]2[C@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,2WI9,,,,,,,
,,,1D2:A:1409,valid,Kd,=,309,uM,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C,
,,,1D2:B:1409,valid,Kd,=,309,uM,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC2CCCCCCCCCCC2)O)N(C)C,
,,,HEM:A:1408,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1408,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:B:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VZM,,,,,,,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NRB:A:1408,valid,Kd,=,171.9,uM,CC[C@@H]1[C@@H](C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,,NRB:B:1408,valid,Kd,=,171.9,uM,CC[C@@H]1[C@@H](C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C(=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H](O2)C)N(C)C)O)C)C)C,
,,3ZK5,,,,,,,
,,,Z18:B:1408,valid,Kd,=,118,uM,CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C,
,,,Z18:A:1408,valid,Kd,=,118,uM,CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CN(C)C)C)C)C,
,,,HEM:B:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:1407,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6GSG,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:2004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RCO:A:2013,valid,,,,,c1cc(cc(c1)O)O,
,,,CU:A:2001,Part of Protein,,,,,[Cu+2],
,,,CU:A:2002,Part of Protein,,,,,[Cu+2],
,,,MAN:A:2003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PEO:A:2014,invalid,,,,,OO,
,Family. Representative Entry is ,1KYQ,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1N5S,,,,,,,
,,,1PG:A:2001,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,ADL:B:1001,valid,,,,,c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2,
,,1N5T,,,,,,,
,,,OAL:B:1001,valid,,,,,c1cc2c(c(c1)O)C(=O)c3c(ccc(c3O)CC(=O)O)C2=O,
,,1N5Q,,,,,,,
,,,P6G:A:2001,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,TNC:B:1001,valid,,,,,CN(C)[C@H]1[C@@H]2Cc3cc4cccc(c4c(c3C(=C2C(=C(C1=O)C(=O)N)O)O)O)O,
,,1N5V,,,,,,,
,,,NOM:A:1001,valid,,,,,C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O,
,Family. Representative Entry is ,4QDF,,,,,,,
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,30Q:B:403,valid,,,,,CCC(=O)NCCSC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C,
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,4GUT,,,,,,,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,ZN:A:906,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,FAD:A:901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4GUU,,,,,,,
,,,FA9:A:901,valid,,,,,Cc1cc2c(cc1C)N3C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6U1V,,,,,,,
,,,FDA:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2JAH,,,,,,,
,,,NDP:A:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1248,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1XHC,,,,,,,
,,,FAD:A:360,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3H7U,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,NAP:A:401,valid,Kd,=,163,nM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3GMB,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5MST,,,,,,,
,,,CA:A:1201,Part of Protein,,,,,[Ca+2],
,,,CA:B:1201,Part of Protein,,,,,[Ca+2],
,,,CA:A:1202,Part of Protein,,,,,[Ca+2],
,,,CA:B:1202,Part of Protein,,,,,[Ca+2],
,,,FUM:B:1203,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:A:1203,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,AMP:B:1204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:1204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5MSW,,,,,,,
,,,AMP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5MSS,,,,,,,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,AMP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5MSP,,,,,,,
,,,NAP:A:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MSV,,,,,,,
,,,NAP:B:1202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PNS:C:1201,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:1201,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:B:1201,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:A:1201,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5MSR,,,,,,,
,,,NAP:B:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4OSP,,,,,,,
,,,2V4:A:302,valid,,,,,C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4E5N,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4E5M,,,,,,,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4E5K,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO3:A:402,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:402,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:402,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:D:401,invalid,,,,,[O-]S(=O)[O-],
,,4NU5,,,,,,,
,,,NAD:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4E5P,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4EBF,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,7BX9,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FMN:A:207,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4F07,,,,,,,
,,,FAD:H:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:L:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:G:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:J:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:L:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:H:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:J:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:I:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YT5,,,,,,,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,H4M:B:401,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:A:402,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,Family. Representative Entry is ,5ZXU,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4PXL,,,,,,,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,NA:B:604,Part of Protein,,,,,[Na+],
,,,NA:A:609,Part of Protein,,,,,[Na+],
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CA:A:611,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,5YSS,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4XCB,,,,,,,
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:C:301,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,HY0:B:303,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,HY0:C:303,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,HY0:D:303,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,HY0:A:303,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,4XCA,,,,,,,
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:C:301,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CS:C:303,invalid,,,,,[Cs+],
,,,CS:D:303,invalid,,,,,[Cs+],
,,,CS:B:303,invalid,,,,,[Cs+],
,,,TRS:A:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4ZPI,,,,,,,
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,FE2:D:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,SIN:C:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:302,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,2YP6,,,,,,,
,,,MLI:A:1187,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1188,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1187,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1188,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1188,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1188,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1187,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1187,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,C6W:D:1186,valid,,,,,C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1,
,,,C6W:B:1186,valid,,,,,C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1,
,,,C6W:A:1186,valid,,,,,C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1,
,,,C6W:C:1186,valid,,,,,C[N+](C)(C)CCOP(=O)([O-])OCCCc1ccccc1,
,Family. Representative Entry is ,4QVB,,,,,,,
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,F42:B:202,valid,Kd,=,170,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:201,valid,Kd,=,170,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,PDO:A:304,invalid,,,,,C(CO)CO,
,,,PDO:A:305,invalid,,,,,C(CO)CO,
,,,PDO:B:205,invalid,,,,,C(CO)CO,
,,,PDO:B:206,invalid,,,,,C(CO)CO,
,,,NA:B:207,invalid,,,,,[Na+],
,,,PGO:A:310,invalid,,,,,C[C@@H](CO)O,
,,1Y30,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2AQ6,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1SQI,,,,,,,
,,,869:A:1501,valid,ic50,<,20,nM,Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C,
,,,869:B:1502,valid,ic50,<,20,nM,Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C,
,,,FE:A:1450,Part of Protein,,,,,[Fe+3],
,,,FE:A:1451,Part of Protein,,,,,[Fe+3],
,,,FE:B:1452,Part of Protein,,,,,[Fe+3],
,,,FE:B:1453,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,3Q2K,,,,,,,
,,,HP7:A:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:B:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:C:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:D:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:E:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:F:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:G:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:H:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:I:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:J:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:K:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:L:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:M:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:N:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:O:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:P:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:I:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:O:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:K:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:L:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:M:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:N:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:J:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:P:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1RZ0,,,,,,,
,,,FAD:A:1200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:4200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:5200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:6200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:7200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:8200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6L86,,,,,,,
,,,LMR:B:302,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:303,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:C:302,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:302,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:D:302,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,MLT:A:303,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:D:301,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,1Z48,,,,,,,
,,,FMN:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6S32,,,,,,,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,BAM:A:402,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,ACT:D:401,invalid,,,,,CC(=O)[O-],
,,,ACT:C:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2C91,,,,,,,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:366,invalid,,,,,C(C(CO)O)O,
,,,MES:B:364,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:364,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:364,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:I:363,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:J:368,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:367,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLA:A:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:E:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:G:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:H:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:I:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:J:360,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3WEC,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,AUI:A:502,valid,,,,,CC1=C(C(=O)c2ccccc2N1)C/C=C(C)/CC/C=C(C)/C[C@H](C=C(C)C)O,
,Family. Representative Entry is ,7CT4,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5XVH,,,,,,,
,,,TLA:A:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ACY:A:303,invalid,,,,,CC(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4FWE,,,,,,,
,,,FLC:A:905,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FAD:A:904,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6YDC,,,,,,,
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,CU:D:301,Part of Protein,,,,,[Cu+2],
,,,CU:C:301,Part of Protein,,,,,[Cu+2],
,,,CU:B:301,Part of Protein,,,,,[Cu+2],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC:G:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2PK3,,,,,,,
,,,A2R:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N,
,,,A2R:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N,
,,,GDD:A:410,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:411,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2QZZ,,,,,,,
,,,EMF:A:601,valid,Ki,=,0.8,mM,CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O,
,,,EMF:B:602,valid,Ki,=,0.8,mM,CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2QX7,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2QW8,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NO3:A:902,invalid,,,,,[N+](=O)([O-])[O-],
,,,PEG:A:901,invalid,,,,,C(COCCO)O,
,,2R2G,,,,,,,
,,,EMF:A:601,valid,,,,,CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O,
,,,EMF:B:602,valid,,,,,CCOC(=O)[C@H]1C[C@@H]1c2ccc(c(c2)OC)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3C3X,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2R6J,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6SMT,,,,,,,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:D:305,invalid,,,,,C(=O)O,
,,,FMT:E:305,invalid,,,,,C(=O)O,
,,,FMT:E:306,invalid,,,,,C(=O)O,
,,,FMT:D:304,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,FMT:E:304,invalid,,,,,C(=O)O,
,,,FMT:D:302,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:D:303,invalid,,,,,C(=O)O,
,,,FMT:E:303,invalid,,,,,C(=O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,2EH:C:304,invalid,,,,,CCCC[C@H](CC)CO,
,,,2EH:A:305,invalid,,,,,CCCC[C@H](CC)CO,
,,,2EH:E:308,invalid,,,,,CCCC[C@H](CC)CO,
,,,2EH:D:306,invalid,,,,,CCCC[C@H](CC)CO,
,,,2EH:B:303,invalid,,,,,CCCC[C@H](CC)CO,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:E:307,invalid,,,,,C(CO)O,
,,,PEG:E:302,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6JW7,,,,,,,
,,,CJX:A:402,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6JW8,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,CK0:A:402,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,Family. Representative Entry is ,4NAO,,,,,,,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:404,Part of Protein,,,,,[Fe+2],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,P6G:A:401,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4Z24,,,,,,,
,,,FAD:A:901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6QX6,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DBV:A:501,valid,,,,,Cc1c(c([nH]c1C=C/2C(=C(C(=O)N2)C)C=C)C=C/3C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O,
,,,DBV:B:501,valid,,,,,Cc1c(c([nH]c1C=C/2C(=C(C(=O)N2)C)C=C)C=C/3C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O,
,,,1PE:B:500,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4E13,,,,,,,
,,,1PE:A:306,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DYD,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:314,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5J55,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,V55:A:503,valid,,,,,COc1cc(ccc1O)C=O,
,,,OXY:A:502,invalid,,,,,O=O,
,,5J54,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,OXY:A:502,invalid,,,,,O=O,
,,,STL:A:503,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,Family. Representative Entry is ,3ICT,,,,,,,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:556,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:556,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6RTT,,,,,,,
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6PC:B:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:A:603,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:B:602,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:A:602,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:A:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,6RTU,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:709,invalid,,,,,CC(=O)[O-],
,,,UN1:A:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,6RTS,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:B:607,invalid,,,,,CC(=O)[O-],
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:B:608,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4Y9D,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1O97,,,,,,,
,,,AMP:C:1262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:D:1319,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3CLU,,,,,,,
,,,AMP:C:1262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:D:1319,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3CLR,,,,,,,
,,,AMP:C:1262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:D:1319,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3CLT,,,,,,,
,,,AMP:C:1262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:D:1319,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3CLS,,,,,,,
,,,AMP:C:1262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:D:1319,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6UFF,,,,,,,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:503,Part of Protein,,,,,[Ca+2],
,,,CA:G:502,Part of Protein,,,,,[Ca+2],
,,,CA:H:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:F:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:E:502,Part of Protein,,,,,[Ca+2],
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2AG8,,,,,,,
,,,NAP:A:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1ZCH,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5Z75,,,,,,,
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2PE:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:C:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAD:D:401,valid,Kd,=,37.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,Kd,=,37.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,Kd,=,37.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2IPI,,,,,,,
,,,AKY:A:601,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@H]([C@H]([C@H](O6)C)O[C@@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O,
,,,FAD:A:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5JDC,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,6JP:C:302,valid,ic50,=,104.2,uM,COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O,
,,,6JP:D:302,valid,ic50,=,104.2,uM,COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O,
,,,6JP:A:302,valid,ic50,=,104.2,uM,COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O,
,,,6JP:B:302,valid,ic50,=,104.2,uM,COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6FW2,,,,,,,
,,,MTE:A:1201,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MOO:A:1207,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:A:1206,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:A:1205,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:A:1204,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,PO4:A:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EFK:A:1202,invalid,,,,,O[Mo]=O,
,,,B3P:A:1203,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,1PZ0,,,,,,,
,,,NA:A:314,Part of Protein,,,,,[Na+],
,,,NAP:A:313,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4RVU,,,,,,,
,,,NDP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6MYW,,,,,,,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,NA:B:405,invalid,,,,,[Na+],
,,,NA:C:408,invalid,,,,,[Na+],
,,,NA:C:407,Part of Protein,,,,,[Na+],
,,,NA:C:406,invalid,,,,,[Na+],
,,,NA:C:409,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,NA:C:410,invalid,,,,,[Na+],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:C:411,invalid,,,,,C(C(CO)O)O,
,,6O08,,,,,,,
,,,NA:A:411,invalid,,,,,[Na+],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6NPA,,,,,,,
,,,KVP:C:203,valid,,,,,C[N+](C)(C)C[C@H](O)P(=O)(O)O,
,,,KVP:D:203,valid,,,,,C[N+](C)(C)C[C@H](O)P(=O)(O)O,
,,,FE:B:201,Part of Protein,,,,,[Fe+3],
,,,FE:D:201,Part of Protein,,,,,[Fe+3],
,,,FE:B:202,Part of Protein,,,,,[Fe+3],
,,,FE:B:203,Part of Protein,,,,,[Fe+3],
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,,,FE:C:201,Part of Protein,,,,,[Fe+3],
,,,FE2:B:204,Part of Protein,,,,,[Fe+2],
,,,FE2:D:202,Part of Protein,,,,,[Fe+2],
,,,FE2:C:202,Part of Protein,,,,,[Fe+2],
,,,FE2:A:202,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,6GNC,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4L40,,,,,,,
,,,DCR:A:502,valid,Kd,=,0.29,uM,CCCCCCCCCCCCCCCCCCCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,5LMC,,,,,,,
,,,3227_:A:501,invalid,,,,,,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FMN:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,3225_3226_:A:501,Part of Protein,,,,,,
,,,CAC:A:505,invalid,,,,,C[As](=O)(C)[O-],
,,,ACY:A:506,invalid,,,,,CC(=O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,FE:A:508,Part of Protein,,,,,[Fe+3],
,,4D02,,,,,,,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,FE:A:602,Part of Protein,,,,,[Fe+3],
,,,FE:A:603,Part of Protein,,,,,[Fe+3],
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,O:A:604,invalid,,,,,O,
,,,FMN:A:482,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4JP3,,,,,,,
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,3PQB,,,,,,,
,,,FAD:A:499,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:499,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:499,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:499,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,VGP:A:500,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O,
,,,VGP:B:500,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O,
,,,VGP:C:500,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O,
,,,VGP:D:500,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)c2ccc(c3c2c4c(cc3OC)-c5c(cc(cc5OC)C=C)[C@@H](O4)O)O)O)O)O,
,Family. Representative Entry is ,3TN7,,,,,,,
,,,GOL:A:236,invalid,,,,,C(C(CO)O)O,
,,,NJP:A:235,valid,,,,,c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NJP:B:235,valid,,,,,c1c(c[n+](cc1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2XSU,,,,,,,
,,,FE:A:1307,Part of Protein,,,,,[Fe+3],
,,,PIE:A:1308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,2XSR,,,,,,,
,,,FE:A:1307,Part of Protein,,,,,[Fe+3],
,,,PIE:A:1308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,2XSV,,,,,,,
,,,FE:A:1307,Part of Protein,,,,,[Fe+3],
,,,PIE:A:1308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,Family. Representative Entry is ,2V6G,,,,,,,
,,,CL:A:1391,invalid,,,,,[Cl-],
,,,NA:A:1392,invalid,,,,,[Na+],
,,,NAP:A:1390,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2GAG,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FOA:A:997,valid,,,,,c1cc(oc1)C(=O)O,
,,,FOA:B:503,valid,,,,,c1cc(oc1)C(=O)O,
,,,GOL:A:998,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:999,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO3:B:504,invalid,,,,,[O-]S(=O)[O-],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,2GAH,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FOA:B:503,valid,,,,,c1cc(oc1)C(=O)O,
,,,NAD:A:999,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6TJR,,,,,,,
,,,MES:A:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5NII,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1OIK,,,,,,,
,,,AKG:A:1301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:1300,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,C26:A:1300,valid,,,,,CCCC[C@@H](CC)COS(=O)(=O)O,
,,,C26:D:1301,valid,,,,,CCCC[C@@H](CC)COS(=O)(=O)O,
,,,FE2:A:1302,Part of Protein,,,,,[Fe+2],
,,,FE2:D:1302,Part of Protein,,,,,[Fe+2],
,,1OII,,,,,,,
,,,AKG:A:1302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:1302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:1301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:1301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:1301,Part of Protein,,,,,[Fe+2],
,,,FE2:C:1300,Part of Protein,,,,,[Fe+2],
,,,FE2:D:1300,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,1Q5D,,,,,,,
,,,EPB:A:450,valid,,,,,Cc1nc(cs1)C=C(/C)[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)C,
,,,HEM:A:440,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1PKF,,,,,,,
,,,EPD:A:450,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C/C=C(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C)/C,
,,,HEM:A:440,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6ON3,,,,,,,
,,,DAH:A:204,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:F:203,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:B:204,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:D:202,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:E:202,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:C:202,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,TRS:A:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:E:201,Part of Protein,,,,,[Fe+2],
,,,FE2:C:201,Part of Protein,,,,,[Fe+2],
,,,FE2:F:201,Part of Protein,,,,,[Fe+2],
,,,FE2:B:201,Part of Protein,,,,,[Fe+2],
,,,FE2:D:201,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,6HUZ,,,,,,,
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GUE:A:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N,
,,,FE9:A:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,Family. Representative Entry is ,3Q2I,,,,,,,
,,,CL:A:352,invalid,,,,,[Cl-],
,,,HP7:A:550,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,NA:A:353,Part of Protein,,,,,[Na+],
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,4NBW,,,,,,,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4QDC,,,,,,,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ASD:A:404,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1MXH,,,,,,,
,,,DHF:A:1278,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:B:2278,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:C:3278,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:D:4278,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,NAP:A:1277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1MXF,,,,,,,
,,,MTX:A:1278,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:2278,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:3278,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:4278,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:1277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:4277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3CTY,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3B6Z,,,,,,,
,,,CO7:A:610,valid,,,,,C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,3B70,,,,,,,
,,,GOL:A:373,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3CHT,,,,,,,
,,,4795_4796_:A:501,Part of Protein,,,,,,
,,,4797_:A:501,invalid,,,,,,
,,,4810_4811_:B:501,Part of Protein,,,,,,
,,,4812_:B:501,invalid,,,,,,
,,,4NB:A:502,valid,,,,,c1cc(ccc1C(=O)O)[N+](=O)[O-],
,Family. Representative Entry is ,1SNY,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3HRD,,,,,,,
,,,18095_18096_18097_:B:920,invalid,,,,,,
,,,18231_:F:920,Part of Protein,,,,,,
,,,18232_18233_:F:920,invalid,,,,,,
,,,CA:E:5663,Part of Protein,,,,,[Ca+2],
,,,FAD:C:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:D:907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:H:907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:H:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:F:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MG:A:426,Part of Protein,,,,,[Mg+2],
,,,MG:A:427,Part of Protein,,,,,[Mg+2],
,,,NIO:B:5661,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:E:5660,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NO3:A:5658,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:5659,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:5662,invalid,,,,,[N+](=O)([O-])[O-],
,,,SE:A:922,Part of Protein,,,,,[SeH2],
,,,SE:E:922,Part of Protein,,,,,[SeH2],
,Family. Representative Entry is ,2V3A,,,,,,,
,,,CL:A:1391,invalid,,,,,[Cl-],
,,,CL:A:1392,invalid,,,,,[Cl-],
,,,FAD:A:1393,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PEG:A:1385,invalid,,,,,C(COCCO)O,
,,,PEG:A:1386,invalid,,,,,C(COCCO)O,
,,,PEG:A:1387,invalid,,,,,C(COCCO)O,
,,,PEG:A:1388,invalid,,,,,C(COCCO)O,
,,,PEG:A:1389,invalid,,,,,C(COCCO)O,
,,,PEG:A:1390,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6LQL,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,F0C:A:702,valid,,,,,COc1ccc(cc1)CC2=NCCC3=C2CCCC3,
,,6LQC,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5YVR,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5YVS,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5YVM,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,NZQ:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1E5D,,,,,,,
,,,6360_6361_:A:404,Part of Protein,,,,,,
,,,6362_:A:404,invalid,,,,,,
,,,6396_6397_:B:404,Part of Protein,,,,,,
,,,6398_:B:404,invalid,,,,,,
,,,FMN:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,OXY:A:405,invalid,,,,,O=O,
,,,OXY:B:405,invalid,,,,,O=O,
,Family. Representative Entry is ,6KTK,,,,,,,
,,,PG4:D:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,8S0:A:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,8S0:D:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,8S0:B:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,8S0:C:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6KTL,,,,,,,
,,,INS:D:402,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5YAQ,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ISE:B:402,valid,,,,,[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O,
,,,ISE:D:402,valid,,,,,[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O,
,,,ISE:C:402,valid,,,,,[C@H]1([C@H](C(=O)[C@H]([C@@H](C1O)O)O)O)O,
,,5YA8,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,INS:B:402,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:D:402,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:A:402,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,5YAP,,,,,,,
,,,8S0:C:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,8S0:B:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,8S0:A:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](C(=O)O1)O)O)O)O,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,3O3R,,,,,,,
,,,NAP:A:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QKZ,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6VK5,,,,,,,
,,,EDO:E:804,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:E:805,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:H:201,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:E:806,invalid,,,,,C(CO)O,
,,,EDO:E:803,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:E:809,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:E:807,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:F:401,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:E:808,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,FE:A:801,Part of Protein,,,,,[Fe+3],
,,,FE:E:802,Part of Protein,,,,,[Fe+3],
,,,FE:E:801,Part of Protein,,,,,[Fe+3],
,,,FE:A:802,Part of Protein,,,,,[Fe+3],
,,,CL:E:811,invalid,,,,,[Cl-],
,,,BEZ:A:813,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:E:810,valid,,,,,c1ccc(cc1)C(=O)O,
,,6VK8,,,,,,,
,,,EDO:E:804,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:E:809,invalid,,,,,C(CO)O,
,,,EDO:E:805,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:E:807,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:F:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:E:806,invalid,,,,,C(CO)O,
,,,EDO:E:808,invalid,,,,,C(CO)O,
,,,SIN:A:803,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE:E:801,Part of Protein,,,,,[Fe+3],
,,,FE:A:801,Part of Protein,,,,,[Fe+3],
,,,FE:E:802,Part of Protein,,,,,[Fe+3],
,,,FE:A:802,Part of Protein,,,,,[Fe+3],
,,,BEZ:E:803,valid,,,,,c1ccc(cc1)C(=O)O,
,,6VK4,,,,,,,
,,,EDO:E:603,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:E:604,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:E:605,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:F:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,FE2:E:601,Part of Protein,,,,,[Fe+2],
,,,FE2:E:602,Part of Protein,,,,,[Fe+2],
,,,BEZ:E:606,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:606,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FE:A:601,Part of Protein,,,,,[Fe+3],
,,,FE:A:602,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6WY9,,,,,,,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FDA:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5J7X,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:603,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6OWE,,,,,,,
,,,IMD:B:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,N9V:A:502,valid,,,,,CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,N9V:D:501,valid,,,,,CC[C@@H](C(=O)O)C(=O)SCCNC(=O)/C=C/NC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NDP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2WQF,,,,,,,
,,,FMN:A:1203,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6N2N,,,,,,,
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SF4:D:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:D:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3B4Y,,,,,,,
,,,F42:A:338,valid,Kd,=,4.5,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:338,valid,Kd,=,4.5,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,FLC:A:337,valid,ic50,=,43,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:337,valid,ic50,=,43,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,1OIJ,,,,,,,
,,,AKG:A:1302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:1302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:1301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:1301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NA:A:1301,Part of Protein,,,,,[Na+],
,,,NA:B:1301,Part of Protein,,,,,[Na+],
,,,NA:C:1300,Part of Protein,,,,,[Na+],
,,,NA:D:1300,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6MVU,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K4V:B:801,valid,,,,,CC(=O)Oc1ccc(cc1)[N+](=O)[O-],
,,,K4V:A:801,valid,,,,,CC(=O)Oc1ccc(cc1)[N+](=O)[O-],
,,6MVS,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6MVT,,,,,,,
,,,NA:A:803,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,NA:A:804,Part of Protein,,,,,[Na+],
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1LQA,,,,,,,
,,,NDP:A:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1T0I,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2JIG,,,,,,,
,,,GOL:A:1255,invalid,,,,,C(C(CO)O)O,
,,,PD2:A:1254,valid,Ki,=,70,uM,c1cnc(cc1C(=O)O)C(=O)O,
,,,SO4:A:1256,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1252,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1253,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1252,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1253,Part of Protein,,,,,[Zn+2],
,,3GZE,,,,,,,
,,,ACY:A:254,invalid,,,,,CC(=O)O,
,,,ACY:B:254,invalid,,,,,CC(=O)O,
,,,ACY:B:5,invalid,,,,,CC(=O)O,
,,,ACY:C:254,invalid,,,,,CC(=O)O,
,,,ACY:D:254,invalid,,,,,CC(=O)O,
,,,SER PRO SER PRO SER PRO SER PRO SER PRO:X:4,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C(NC(=O)C2[NH2+]CCC2)CO)CCC1)CO)N1C(C(=O)NC(C=O)CO)CCC1,
,,,SER PRO SER PRO SER PRO SER PRO SER PRO:Y:2,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C(NC(=O)C2[NH2+]CCC2)CO)CCC1)CO)N1C(C(=O)NC(C=O)CO)CCC1,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:10,Part of Protein,,,,,[Zn+2],
,,,ZN:A:5,Part of Protein,,,,,[Zn+2],
,,,ZN:A:7,Part of Protein,,,,,[Zn+2],
,,,ZN:A:8,Part of Protein,,,,,[Zn+2],
,,,ZN:B:12,Part of Protein,,,,,[Zn+2],
,,,ZN:B:14,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:11,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:6,Part of Protein,,,,,[Zn+2],
,,,ZN:C:9,Part of Protein,,,,,[Zn+2],
,,,ZN:D:13,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6ER9,,,,,,,
,,,NAP:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6ERA,,,,,,,
,,,NAP:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5K0A,,,,,,,
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,1PE:C:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PGE:D:408,invalid,,,,,C(COCCOCCO)O,
,,,PO4:B:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5JRI,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5YLY,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5O0X,,,,,,,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:A:808,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,GOL:A:822,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:824,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:826,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:825,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:823,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:827,invalid,,,,,C(C(CO)O)O,
,,,P6G:A:809,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:811,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:810,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:812,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:813,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:A:815,invalid,,,,,C(COCCO)O,
,,,PEG:A:814,invalid,,,,,C(COCCO)O,
,,,PEG:A:817,invalid,,,,,C(COCCO)O,
,,,PEG:A:828,invalid,,,,,C(COCCO)O,
,,,PEG:A:820,invalid,,,,,C(COCCO)O,
,,,PEG:A:818,invalid,,,,,C(COCCO)O,
,,,PEG:A:821,invalid,,,,,C(COCCO)O,
,,,PEG:A:819,invalid,,,,,C(COCCO)O,
,,,PEG:A:816,invalid,,,,,C(COCCO)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,7C4A,,,,,,,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,7C49,,,,,,,
,,,HNL:B:1002,valid,,,,,C[N@@]1CCC[C@H]1c2ccc(nc2)O,
,,,HNL:A:1002,valid,,,,,C[N@@]1CCC[C@H]1c2ccc(nc2)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5TTJ,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5G4L,,,,,,,
,,,NDP:A:1265,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1265,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4PLG,,,,,,,
,,,NAI:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,OXM:B:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:401,valid,,,,,C(=O)(C(=O)O)N,
,,4PLC,,,,,,,
,,,PYR:C:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:401,valid,,,,,CC(=O)C(=O)O,
,,,NAI:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4PLF,,,,,,,
,,,PYR:A:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:402,valid,,,,,CC(=O)C(=O)O,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4NC7,,,,,,,
,,,NI:B:101,Part of Protein,,,,,[Ni+2],
,,,NI:A:102,Part of Protein,,,,,[Ni+2],
,,,I3C:A:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,Family. Representative Entry is ,5F5N,,,,,,,
,,,EPE:B:309,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:308,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,5VD:A:302,valid,,,,,C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O,
,,,5VD:B:302,valid,,,,,C[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(ccc(c4C3=O)O)O)[C@H]1C(=O)OC)O)O,
,,,MG:B:310,invalid,,,,,[Mg+2],
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3LXD,,,,,,,
,,,FAD:A:416,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6KGQ,,,,,,,
,,,MPD:A:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DJC FAD:A:902,valid,Ki,=,9,nM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=O)CCc3ccc(-c4c(C(F)(F)F)ccc(F)c4)cc3)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,6KGP,,,,,,,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:907,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,DJ0 FAD:A:908,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N3C(O)CC(c4c(OCc5ccccc5)c(F)cc(F)c4)C43C(=O)NC(=O)NC14)cc(C)c(C)c2)[O-],
,,6KGO,,,,,,,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:907,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,DJ0 FAD:A:908,valid,Ki,=,0.37,uM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N3C(O)CC(c4c(OCc5ccccc5)c(F)cc(F)c4)C43C(=O)NC(=O)NC14)cc(C)c(C)c2)[O-],
,,2Z3Y,,,,,,,
,,,F2N:A:1,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CCc7ccccc7,
,,2Z5U,,,,,,,
,,,FAJ:A:1,valid,,,,,Cc1cc2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O,
,,2DW4,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6KGR,,,,,,,
,,,MPD:A:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DJC FAD:A:902,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=O)CCc3ccc(-c4c(C(F)(F)F)ccc(F)c4)cc3)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,Family. Representative Entry is ,3ICR,,,,,,,
,,,COA:A:556,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:556,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5XWC,,,,,,,
,,,PEG:A:553,invalid,,,,,C(COCCO)O,
,,,GOL:A:549,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:537,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:530,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:551,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:546,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:529,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:543,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:544,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:547,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:540,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:535,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:528,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:532,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:538,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:552,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:542,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:527,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:548,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:550,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:534,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:541,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:536,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:533,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:539,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:545,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,8GL:A:502,valid,,,,,C(C[C@](C(=O)O)(N)O)C(=O)O,
,,,2IT:A:503,valid,,,,,[H]/N=C(/CCC(=O)O)C(=O)O,
,,5XW0,,,,,,,
,,,PEG:A:519,invalid,,,,,C(COCCO)O,
,,,PEG:A:517,invalid,,,,,C(COCCO)O,
,,,PEG:A:516,invalid,,,,,C(COCCO)O,
,,,PEG:A:518,invalid,,,,,C(COCCO)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,8G0:A:502,valid,,,,,c1cc(cc(c1)C(=O)O)C(=O)O,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5XVX,,,,,,,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:A:527,invalid,,,,,C(COCCO)O,
,,,PEG:A:526,invalid,,,,,C(COCCO)O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5XVV,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,AKG:C:504,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:508,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:506,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BME:D:501,invalid,,,,,C(CS)O,
,,,BME:E:505,invalid,,,,,C(CS)O,
,,,BME:C:505,invalid,,,,,C(CS)O,
,,,BME:B:507,invalid,,,,,C(CS)O,
,,,BME:A:509,invalid,,,,,C(CS)O,
,,,BME:F:504,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,6KIA,,,,,,,
,,,NAI:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,5Z2F,,,,,,,
,,,PDC:A:302,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z2E,,,,,,,
,,,PDC:A:301,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,Family. Representative Entry is ,6VCH,,,,,,,
,,,CO:B:501,Part of Protein,,,,,[Co+2],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,CO:E:501,Part of Protein,,,,,[Co+2],
,,,CO:C:501,Part of Protein,,,,,[Co+2],
,,,CO:F:1000,Part of Protein,,,,,[Co+2],
,,,CO:D:501,Part of Protein,,,,,[Co+2],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:E:502,invalid,,,,,[Cl-],
,,,QVM:A:502,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C,
,,,QVM:B:503,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C,
,,,QVM:C:502,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C,
,,,QVM:D:502,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C,
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1USF,,,,,,,
,,,FMN:A:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1182,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1182,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1180,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1181,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1180,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1181,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3ZOF,,,,,,,
,,,HQE:B:200,valid,,,,,c1cc(ccc1O)O,
,,,HQE:A:200,valid,,,,,c1cc(ccc1O)O,
,,,FMN:B:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1USC,,,,,,,
,,,ACT:A:1180,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1180,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ZOH,,,,,,,
,,,A2Q:C:200,valid,,,,,C1CC=CC(=O)C1,
,,,A2Q:A:200,valid,,,,,C1CC=CC(=O)C1,
,,,A2Q:B:200,valid,,,,,C1CC=CC(=O)C1,
,,,A2Q:D:200,valid,,,,,C1CC=CC(=O)C1,
,,,FMN:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ZOE,,,,,,,
,,,FMN:B:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:1179,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:B:200,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:200,valid,,,,,c1cc(ccc1C=O)O,
,Family. Representative Entry is ,4ITU,,,,,,,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,1HS:A:302,valid,,,,,C[C@@H](CSCCS(=O)(=O)O)O,
,,,1HS:D:302,valid,,,,,C[C@@H](CSCCS(=O)(=O)O)O,
,,,1HS:B:302,valid,,,,,C[C@@H](CSCCS(=O)(=O)O)O,
,,,1HS:C:302,valid,,,,,C[C@@H](CSCCS(=O)(=O)O)O,
,,4GH5,,,,,,,
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6H6X,,,,,,,
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,4LU:B:503,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:A:503,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:501,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1RZ1,,,,,,,
,,,FAD:A:1200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:4200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:5200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:6200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:7200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:8200,valid,Kd,=,9.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:7201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:8201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3W54,,,,,,,
,,,OH:B:503,invalid,,,,,[OH-],
,,,OH:A:503,invalid,,,,,[OH-],
,,,OH:D:503,invalid,,,,,[OH-],
,,,OH:C:503,invalid,,,,,[OH-],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RNB:B:504,valid,ic50,=,0.2,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:D:504,valid,ic50,=,0.2,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:C:504,valid,ic50,=,0.2,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:A:504,valid,ic50,=,0.2,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,5ZDQ,,,,,,,
,,,OH:C:503,invalid,,,,,[OH-],
,,,OH:D:503,invalid,,,,,[OH-],
,,,OH:A:503,invalid,,,,,[OH-],
,,,OH:B:503,invalid,,,,,[OH-],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,RNB:D:504,valid,,,,,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:B:504,valid,,,,,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:A:504,valid,,,,,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,RNB:C:504,valid,,,,,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CCC=C(C)C)O)C=O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3UPY,,,,,,,
,,,FOM:A:447,valid,ic50,=,2.39,uM,C(CN(C=O)O)CP(=O)(O)O,
,,,MG:A:446,Part of Protein,,,,,[Mg+2],
,,,MG:B:446,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1BDB,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5OCM,,,,,,,
,,,NAP:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MG:D:303,invalid,,,,,[Mg+2],
,,,MG:D:304,invalid,,,,,[Mg+2],
,,,MG:D:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:E:303,invalid,,,,,[Mg+2],
,,,MG:F:303,invalid,,,,,[Mg+2],
,,,MG:C:303,invalid,,,,,[Mg+2],
,,,9RH:E:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,,,9RH:D:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,,,9RH:A:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,,,9RH:C:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,,,9RH:B:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,,,9RH:F:302,valid,,,,,c1ccc(cc1)C(C(F)(F)F)(O)O,
,Family. Representative Entry is ,2R14,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TXD:A:600,valid,Kd,=,0.63,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,3GX9,,,,,,,
,,,FMN:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TXD:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,1GWJ,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3UOY,,,,,,,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:546,Part of Protein,,,,,[Na+],
,,,NA:B:546,Part of Protein,,,,,[Na+],
,,,NAP:A:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3UP5,,,,,,,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3UOX,,,,,,,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UOV,,,,,,,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UOZ,,,,,,,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:552,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6WVI,,,,,,,
,,,OLC:A:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,1Z42,,,,,,,
,,,FMN:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:1502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:1503,valid,,,,,c1cc(ccc1C=O)O,
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6PBP,,,,,,,
,,,O7J:B:502,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O,
,,,O7J:A:502,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N[C@@H](CCC(=O)O)C(=O)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6C4N,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,6PBN,,,,,,,
,,,O77:A:506,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AKG:A:505,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,6PBM,,,,,,,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6PBT,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,O77:A:502,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5K9B,,,,,,,
,,,MG:A:204,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1YOB,,,,,,,
,,,FMN:A:1200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OM8,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,BME:A:401,invalid,,,,,C(CS)O,
,,,BME:B:401,invalid,,,,,C(CS)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3QDL,,,,,,,
,,,FMN:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:211,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4RF2,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4X9M,,,,,,,
,,,G3P:A:403,invalid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4X9N,,,,,,,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4ZU3,,,,,,,
,,,4SD:B:302,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:D:301,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:F:301,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:E:301,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:A:301,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:C:301,valid,,,,,C(C#N)C(CC#N)O,
,,,4SD:B:301,valid,,,,,C(C#N)C(CC#N)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5U5G,,,,,,,
,,,7VD:C:302,valid,,,,,CC(=O)CP(=O)(O)O,
,,,7VD:D:302,valid,,,,,CC(=O)CP(=O)(O)O,
,,,7VD:B:302,valid,,,,,CC(=O)CP(=O)(O)O,
,,,7VD:A:302,valid,,,,,CC(=O)CP(=O)(O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PGE:C:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6YDE,,,,,,,
,,,CU:A:302,Part of Protein,,,,,[Cu+2],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4D7E,,,,,,,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6VW4,,,,,,,
,,,SDN:A:201,valid,,,,,CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O,
,Family. Representative Entry is ,2HJ3,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5EPO,,,,,,,
,,,TUD:B:302,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,TUD:A:302,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,TUD:C:302,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,TUD:D:302,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2UXR,,,,,,,
,,,GOL:A:1407,invalid,,,,,C(C(CO)O)O,
,,,ICT:A:1403,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:1404,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:1397,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:1405,Part of Protein,,,,,[Mg+2],
,,,MG:A:1406,Part of Protein,,,,,[Mg+2],
,,,MG:B:1398,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TL1,,,,,,,
,,,GOL:A:161,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:162,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:161,invalid,,,,,C(C(CO)O)O,
,,,JRO:A:160,valid,,,,,CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O,
,,,JRO:B:160,valid,,,,,CC1=Cc2cc3c(cc2C(=O)O1)c(cc(c3O)O)O,
,Family. Representative Entry is ,4B7X,,,,,,,
,,,NAP:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:L:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6OZ1,,,,,,,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:712,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:711,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:710,invalid,,,,,[Cl-],
,,,CL:A:709,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6TTM,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,UNX:A:408,invalid,,,,,*,
,,,UNX:A:409,invalid,,,,,*,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,HYO:A:402,valid,,,,,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3,
,,,SR:A:407,invalid,,,,,[Sr+2],
,,,OGA:A:404,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,3VCA,,,,,,,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,PRO:A:504,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,3VCP,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FES:A:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PRO:A:502,valid,,,,,C1C[C@H](NC1)C(=O)O,
,Family. Representative Entry is ,1Z8O,,,,,,,
,,,DEB:A:420,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:417,invalid,,,,,O=O,
,,1EUP,,,,,,,
,,,ASD:A:451,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:A:452,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1EGY,,,,,,,
,,,9AP:A:800,valid,,,,,c1ccc2c(c1)cc(c3c2cccc3)N,
,,,9AP:A:801,valid,,,,,c1ccc2c(c1)cc(c3c2cccc3)N,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1JIP,,,,,,,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KTN:A:801,valid,,,,,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,1Z8Q,,,,,,,
,,,DEB:A:420,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:417,invalid,,,,,O=O,
,,1Z8P,,,,,,,
,,,DEB:A:420,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:417,invalid,,,,,O=O,
,,1JIN,,,,,,,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KTN:A:801,valid,,,,,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,1JIO,,,,,,,
,,,DEB:A:420,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,HEM:A:410,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,2HJR,,,,,,,
,,,APR:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:3012,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:C:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:D:3003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:E:3004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:F:3005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:G:3006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:H:3007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:I:3008,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:J:3009,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:K:3010,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:L:3011,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,CIT:A:2001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:2003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:2004,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:2008,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:2007,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:2006,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:H:2005,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:I:2011,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:J:2012,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:K:2013,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:L:2010,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5JFL,,,,,,,
,,,NAD:A:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5T2U,,,,,,,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5JH2,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,A2P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2YOO,,,,,,,
,,,K2B:B:1404,valid,Kd,=,0.52,uM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,K2B:D:1404,valid,Kd,=,0.52,uM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,K2B:A:1404,valid,Kd,=,0.52,uM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,K2B:C:1404,valid,Kd,=,0.52,uM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,HEM:D:1402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:1402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:1402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MG:B:1405,invalid,,,,,[Mg+2],
,,4TRI,,,,,,,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,C3S:B:501,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:A:502,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,Family. Representative Entry is ,6E13,,,,,,,
,,,HKS:A:404,valid,,,,,c1c(cc(c(c1O)O)SC[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3K87,,,,,,,
,,,FAD:A:600,valid,Kd,=,1.8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,Kd,=,1.8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3K88,,,,,,,
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5GSN,,,,,,,
,,,NAP:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:501,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:C:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MMZ:A:503,valid,,,,,CN1C=CNC1=S,
,,,MMZ:C:503,valid,,,,,CN1C=CNC1=S,
,,5IQ1,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5IPY,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5IQ4,,,,,,,
,,,NAP:B:501,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4M26,,,,,,,
,,,SIN:C:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,ZZU:D:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,ZZU:C:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,4M2G,,,,,,,
,,,SIN:B:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:403,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:403,valid,,,,,C(CC(=O)O)C(=O)O,
,,,2OR:D:402,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N,
,,,2OR:C:402,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,4M2E,,,,,,,
,,,HRG:C:402,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,HRG:D:402,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,HRG:A:401,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,4M2C,,,,,,,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,DAR:C:402,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,DAR:D:402,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,4M25,,,,,,,
,,,AKG:D:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:402,Part of Protein,,,,,[Fe+3],
,,,FE:B:402,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,4M2F,,,,,,,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,GGB:C:402,valid,,,,,[H]/N=C(N)/NOCC[C@@H](C(=O)O)N,
,,,GGB:D:402,valid,,,,,[H]/N=C(N)/NOCC[C@@H](C(=O)O)N,
,,4M27,,,,,,,
,,,FE:D:402,Part of Protein,,,,,[Fe+3],
,,,FE:C:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,ARG:C:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,SIN:C:403,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:403,valid,,,,,C(CC(=O)O)C(=O)O,
,,4NE0,,,,,,,
,,,ZZU:D:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,ZZU:C:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,SIN:C:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,1YNQ,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NA:A:299,Part of Protein,,,,,[Na+],
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,1XG5,,,,,,,
,,,ACY:A:1401,invalid,,,,,CC(=O)O,
,,,ACY:C:1402,invalid,,,,,CC(=O)O,
,,,ACY:D:1403,invalid,,,,,CC(=O)O,
,,,NAP:A:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4NBU,,,,,,,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,CAA:B:302,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4KWI,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,1TJ:B:302,valid,,,,,Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O,
,,,1TJ:A:302,valid,,,,,Cc1cc2c(c(c1)O)C3=C(C(=O)C2)C(=O)c4c(cccc4O)C3=O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4KWH,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4OSO,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,2V4:B:302,valid,,,,,C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O,
,,,2V4:A:302,valid,,,,,C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3WSG,,,,,,,
,,,CIT:C:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FE2:D:301,Part of Protein,,,,,[Fe+2],
,,,FE2:E:301,Part of Protein,,,,,[Fe+2],
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:F:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,3WSF,,,,,,,
,,,CIT:C:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:E:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:D:301,Part of Protein,,,,,[Fe+3],
,,,FE:C:301,Part of Protein,,,,,[Fe+3],
,,,FE:F:301,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,2RAB,,,,,,,
,,,CL:A:464,invalid,,,,,[Cl-],
,,,CL:A:465,invalid,,,,,[Cl-],
,,,CL:A:467,invalid,,,,,[Cl-],
,,,CL:A:469,invalid,,,,,[Cl-],
,,,CL:B:464,invalid,,,,,[Cl-],
,,,CL:B:465,invalid,,,,,[Cl-],
,,,CL:B:467,invalid,,,,,[Cl-],
,,,CL:B:469,invalid,,,,,[Cl-],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NI:A:466,Part of Protein,,,,,[Ni+2],
,,,NI:A:468,Part of Protein,,,,,[Ni+2],
,,,NI:B:466,Part of Protein,,,,,[Ni+2],
,,,NI:B:468,Part of Protein,,,,,[Ni+2],
,,2R9Z,,,,,,,
,,,CL:A:464,invalid,,,,,[Cl-],
,,,CL:A:465,invalid,,,,,[Cl-],
,,,CL:A:467,invalid,,,,,[Cl-],
,,,CL:A:469,invalid,,,,,[Cl-],
,,,CL:B:464,invalid,,,,,[Cl-],
,,,CL:B:465,invalid,,,,,[Cl-],
,,,CL:B:467,invalid,,,,,[Cl-],
,,,CL:B:469,invalid,,,,,[Cl-],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NI:A:466,Part of Protein,,,,,[Ni+2],
,,,NI:A:468,Part of Protein,,,,,[Ni+2],
,,,NI:B:466,Part of Protein,,,,,[Ni+2],
,,,NI:B:468,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1Z2I,,,,,,,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5J60,,,,,,,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,PG4:B:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2B9W,,,,,,,
,,,12P:A:2001,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1001,Part of Protein,,,,,[Na+],
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2B9Y,,,,,,,
,,,BU1:A:1501,invalid,,,,,C(CCO)CO,
,,,BU1:A:1502,invalid,,,,,C(CCO)CO,
,,,BU1:A:1503,invalid,,,,,C(CCO)CO,
,,,BU1:A:1504,invalid,,,,,C(CCO)CO,
,,,BU1:A:1505,invalid,,,,,C(CCO)CO,
,,,BU1:A:1506,invalid,,,,,C(CCO)CO,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BAB,,,,,,,
,,,BU1:A:3001,invalid,,,,,C(CCO)CO,
,,,BU1:A:3002,invalid,,,,,C(CCO)CO,
,,,BU1:A:3003,invalid,,,,,C(CCO)CO,
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ODD:A:1001,valid,,,,,CCCCCC=C/C=C/CCCCCCCCC(=O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BAC,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ODT:A:1001,valid,,,,,CCC=C/C=C/C=C/CCCCCCCCCC(=O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BA9,,,,,,,
,,,12P:A:1001,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:2001,Part of Protein,,,,,[Na+],
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,2B9X,,,,,,,
,,,12P:A:2001,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1006,invalid,,,,,[I-],
,,,IOD:A:1007,invalid,,,,,[I-],
,,,IOD:A:1008,invalid,,,,,[I-],
,,,IOD:A:1009,invalid,,,,,[I-],
,,,IOD:A:1010,invalid,,,,,[I-],
,,,IOD:A:1011,invalid,,,,,[I-],
,,,IOD:A:1012,invalid,,,,,[I-],
,,,IOD:A:1013,invalid,,,,,[I-],
,,,NA:A:1001,invalid,,,,,[Na+],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6F7L,,,,,,,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CA:A:502,invalid,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,CWH:B:506,valid,,,,,C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C,
,,,CWH:A:504,valid,,,,,C[C@@H]1[C@H](O[C@@H]([C@H](C1=O)C)O)C[C@H](CC[C@H](C)CC[C@@H](CC[C@H](C)CCNC(=O)[C@H](C)O)O)OC(=O)C,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1DMR,,,,,,,
,,,6MO:A:784,Part of Protein,,,,,[Mo+6],
,,,PGD:A:783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD O   O:A:782,Part of Protein,,,,,,
,,3DMR,,,,,,,
,,,6MO:A:784,Part of Protein,,,,,[Mo+6],
,,,O:A:786,invalid,,,,,O,
,,,PGD:A:783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD O:A:782,valid,,,,,S(O)C1=C(S)C2NC=3C(=O)NC(N)=NC=3NC2OC1COP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])[O-],
,,4DMR,,,,,,,
,,,4MO:A:784,Part of Protein,,,,,[Mo+4],
,,,O   DMS:A:785,Part of Protein,,,,,,
,,,PGD:A:782,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,1DMS,,,,,,,
,,,5986_:A:784,Part of Protein,,,,,,
,,,5987_5988_:A:784,invalid,,,,,,
,,,PGD:A:782,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,1E5V,,,,,,,
,,,11865_:A:803,Part of Protein,,,,,,
,,,11866_11867_:A:803,invalid,,,,,,
,,,11967_:C:803,Part of Protein,,,,,,
,,,11968_11969_:C:803,invalid,,,,,,
,,,PGD:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E18,,,,,,,
,,,6072_:A:803,Part of Protein,,,,,,
,,,6073_:A:803,invalid,,,,,,
,,,EOH:A:901,invalid,,,,,CCO,
,,,EOH:A:902,invalid,,,,,CCO,
,,,EOH:A:903,invalid,,,,,CCO,
,,,PGD:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,1H5N,,,,,,,
,,,6MO:A:1784,Part of Protein,,,,,[Mo+6],
,,,6MO:C:1784,Part of Protein,,,,,[Mo+6],
,,,PGD:A:1782,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:1783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:1782,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:1783,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,SO4:A:1785,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1785,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E61,,,,,,,
,,,PGD:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,11865_11866_:A:803,Part of Protein,,,,,,
,,,11867_:A:803,invalid,,,,,,
,,,11969_:C:803,invalid,,,,,,
,,,11967_11968_:C:803,Part of Protein,,,,,,
,,1E60,,,,,,,
,,,11965_:A:803,Part of Protein,,,,,,
,,,11966_11967_:A:803,invalid,,,,,,
,,,12072_:C:803,Part of Protein,,,,,,
,,,12073_12074_:C:803,invalid,,,,,,
,,,PGD:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,PGD:C:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O)O)N=C(NC2=O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5GWT,,,,,,,
,,,SIN:A:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5GWS,,,,,,,
,,,SIN:A:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5GWR,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4FN4,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3H7R,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,Kd,=,584,nM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5DBV,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6WPU,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6A3J,,,,,,,
,,,SOE:A:402,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:D:401,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:B:401,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:C:402,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NAI:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MES:C:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6A3I,,,,,,,
,,,NAI:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,4PW:D:401,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,,,4PW:A:401,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,,6A3G,,,,,,,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,6VSP,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6XEX,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6XEW,,,,,,,
,,,HBS:A:304,valid,,,,,C[C@@H](C(=O)C)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,HBR:A:303,valid,,,,,C[C@H](C(=O)C)O,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6O15,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1QOR,,,,,,,
,,,SO4:A:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5WUW,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4JIQ,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,1L5:A:402,valid,Kd,=,0.73,mM,C/C(=CN(=O)=O)/c1ccccc1,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4JIP,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:402,valid,,,,,c1cc(ccc1C=O)O,
,,4JIC,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5N6G,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,8OZ:A:402,valid,,,,,C=C(c1ccccc1)C(=O)O,
,Family. Representative Entry is ,2EWM,,,,,,,
,,,NAD:A:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5O98,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4K5S,,,,,,,
,,,PM0:A:602,valid,,,,,Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)C)O)OC)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@H]([C@H]([C@H](O6)C)O)O[C@H]7C[C@]([C@@H]([C@H](O7)C)O)(C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O[C@H]9C[C@H]([C@@H]([C@H](O9)C)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4K5R,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4R1S,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4AGS,,,,,,,
,,,EDO:A:1451,invalid,,,,,C(CO)O,
,,,EDO:A:1452,invalid,,,,,C(CO)O,
,,,EDO:A:1453,invalid,,,,,C(CO)O,
,,,EDO:A:1454,invalid,,,,,C(CO)O,
,,,EDO:A:1455,invalid,,,,,C(CO)O,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:B:1447,invalid,,,,,C(CO)O,
,,,EDO:B:1448,invalid,,,,,C(CO)O,
,,,EDO:B:1449,invalid,,,,,C(CO)O,
,,,EDO:B:1450,invalid,,,,,C(CO)O,
,,,EDO:B:1451,invalid,,,,,C(CO)O,
,,,EDO:C:1453,invalid,,,,,C(CO)O,
,,,EDO:C:1454,invalid,,,,,C(CO)O,
,,,EDO:C:1455,invalid,,,,,C(CO)O,
,,,EDO:C:1456,invalid,,,,,C(CO)O,
,,,GSH:A:1449,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1450,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1445,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1446,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1451,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1452,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1UAY,,,,,,,
,,,ADN:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,1G63,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:505,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:506,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:507,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:508,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:509,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:K:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:L:511,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6TUK,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,BU3:B:404,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:402,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:403,invalid,,,,,C[C@H]([C@@H](C)O)O,
,Family. Representative Entry is ,5C3R,,,,,,,
,,,NI:D:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:C:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,HMU:A:403,valid,Kd,=,30.5,uM,C1=C(C(=O)NC(=O)N1)CO,
,,,HMU:D:403,valid,Kd,=,30.5,uM,C1=C(C(=O)NC(=O)N1)CO,
,,,HMU:B:403,valid,Kd,=,30.5,uM,C1=C(C(=O)NC(=O)N1)CO,
,,,HMU:C:403,valid,Kd,=,30.5,uM,C1=C(C(=O)NC(=O)N1)CO,
,,,AKG:A:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,5C3P,,,,,,,
,,,NI:D:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:C:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,AKG:A:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,5C3S,,,,,,,
,,,NI:D:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:C:401,Part of Protein,,,,,[Ni+2],
,,,AKG:C:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,FYU:D:404,valid,Kd,=,108,uM,C1=C(C(=O)NC(=O)N1)C=O,
,,,FYU:C:404,valid,Kd,=,108,uM,C1=C(C(=O)NC(=O)N1)C=O,
,,,FYU:A:403,valid,Kd,=,108,uM,C1=C(C(=O)NC(=O)N1)C=O,
,,,FYU:B:404,valid,Kd,=,108,uM,C1=C(C(=O)NC(=O)N1)C=O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,5C3Q,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NI:D:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:C:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,TDR:C:403,valid,Kd,=,32,uM,CC1=CNC(=O)NC1=O,
,,,TDR:A:403,valid,Kd,=,32,uM,CC1=CNC(=O)NC1=O,
,,,TDR:D:403,valid,Kd,=,32,uM,CC1=CNC(=O)NC1=O,
,,,TDR:B:403,valid,Kd,=,32,uM,CC1=CNC(=O)NC1=O,
,,,AKG:A:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,Kd,=,34.4,uM,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,5U5N,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CA:A:302,invalid,,,,,[Ca+2],
,,5U5I,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CA:A:302,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,2OHH,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:1501,Part of Protein,,,,,[Fe+3],
,,,FE:B:1502,Part of Protein,,,,,[Fe+3],
,,,FE:D:2501,Part of Protein,,,,,[Fe+3],
,,,FE:D:2502,Part of Protein,,,,,[Fe+3],
,,,FE:E:3501,Part of Protein,,,,,[Fe+3],
,,,FE:E:3502,Part of Protein,,,,,[Fe+3],
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:2701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:3701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:D:2414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OHJ,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:519,invalid,,,,,[Cl-],
,,,CL:D:517,invalid,,,,,[Cl-],
,,,CL:D:518,invalid,,,,,[Cl-],
,,,CL:D:521,invalid,,,,,[Cl-],
,,,CL:E:520,invalid,,,,,[Cl-],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:511,Part of Protein,,,,,[Fe+3],
,,,FE:B:1501,Part of Protein,,,,,[Fe+3],
,,,FE:B:1502,Part of Protein,,,,,[Fe+3],
,,,FE:B:512,Part of Protein,,,,,[Fe+3],
,,,FE:D:2501,Part of Protein,,,,,[Fe+3],
,,,FE:D:2502,Part of Protein,,,,,[Fe+3],
,,,FE:D:513,Part of Protein,,,,,[Fe+3],
,,,FE:E:3501,Part of Protein,,,,,[Fe+3],
,,,FE:E:3502,Part of Protein,,,,,[Fe+3],
,,,FE:E:514,Part of Protein,,,,,[Fe+3],
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:2701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:3701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2OHI,,,,,,,
,,,CL:D:2504,invalid,,,,,[Cl-],
,,,CL:H:1504,invalid,,,,,[Cl-],
,,,CL:J:3504,invalid,,,,,[Cl-],
,,,CL:J:3505,invalid,,,,,[Cl-],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:503,Part of Protein,,,,,[Fe+3],
,,,FE:B:1501,Part of Protein,,,,,[Fe+3],
,,,FE:B:1503,Part of Protein,,,,,[Fe+3],
,,,FE:D:2501,Part of Protein,,,,,[Fe+3],
,,,FE:D:2503,Part of Protein,,,,,[Fe+3],
,,,FE:E:3501,Part of Protein,,,,,[Fe+3],
,,,FE:E:3503,Part of Protein,,,,,[Fe+3],
,,,FE:G:501,Part of Protein,,,,,[Fe+3],
,,,FE:G:503,Part of Protein,,,,,[Fe+3],
,,,FE:H:1501,Part of Protein,,,,,[Fe+3],
,,,FE:H:1503,Part of Protein,,,,,[Fe+3],
,,,FE:I:2501,Part of Protein,,,,,[Fe+3],
,,,FE:I:2503,Part of Protein,,,,,[Fe+3],
,,,FE:J:3501,Part of Protein,,,,,[Fe+3],
,,,FE:J:3503,Part of Protein,,,,,[Fe+3],
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:2701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:3701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:1702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:2702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:3702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2CUL,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4HSU,,,,,,,
,,,FAD:A:901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4YAG,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4YAI,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,GGE:B:501,valid,,,,,COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O,
,,,NAI:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,2V3B,,,,,,,
,,,FAD:A:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FE:B:1054,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,5NMX,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:D:503,invalid,,,,,[Mg+2],
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5NMW,,,,,,,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4XWZ,,,,,,,
,,,LYS BDF:B:502,valid,,,,,,
,,,LYS BDF:A:502,valid,,,,,,
,,,FAD:B:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5OC3,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4N82,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2BP1,,,,,,,
,,,FLC:A:1362,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1362,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1362,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1362,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NDP:A:1361,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1361,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1361,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1361,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5GT9,,,,,,,
,,,NAP:A:301,valid,Ka,=,44700,M^-1,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,Ka,=,44700,M^-1,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4YT4,,,,,,,
,,,FE9:A:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,6HUX,,,,,,,
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,E4M:A:412,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,CL:A:424,invalid,,,,,[Cl-],
,,,FE9:A:410,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,Family. Representative Entry is ,1IY8,,,,,,,
,,,MRD:A:1269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:2269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:3269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:4269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:5269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:F:6269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:G:7269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:8269,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:1268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:7268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:8268,valid,Ki,=,23.8,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3WCZ,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:406,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,6HNR,,,,,,,
,,,GFE:A:302,valid,ic50,=,0.692,uM,CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C,
,,,GFE:B:303,valid,ic50,=,0.692,uM,CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C,
,,,GFE:C:304,valid,ic50,=,0.692,uM,CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C,
,,,GFE:D:302,valid,ic50,=,0.692,uM,CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1GVE,,,,,,,
,,,CIT:A:1331,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1330,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1328,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1330,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1331,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1333,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1334,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1336,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1337,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1328,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6S31,,,,,,,
,,,HBA:A:402,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:403,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:401,valid,,,,,c1cc(ccc1C=O)O,
,,,FMN:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6S23,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,KSW:A:402,valid,,,,,CC1=CC=CC1=O,
,,,KSW:A:403,valid,,,,,CC1=CC=CC1=O,
,,,KSW:B:402,valid,,,,,CC1=CC=CC1=O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6S0G,,,,,,,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EDO:B:401,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4X28,,,,,,,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3OIB,,,,,,,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,FDA:A:518,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:516,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:B:515,invalid,,,,,[I-],
,,,IOD:B:508,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:B:509,invalid,,,,,[I-],
,,,IOD:B:511,invalid,,,,,[I-],
,,,IOD:B:506,invalid,,,,,[I-],
,,,IOD:B:513,invalid,,,,,[I-],
,,,IOD:B:507,invalid,,,,,[I-],
,,,IOD:B:512,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:510,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:514,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:I:28,invalid,,,,,[I-],
,,,NA:A:501,invalid,,,,,[Na+],
,,,NA:B:501,invalid,,,,,[Na+],
,Family. Representative Entry is ,6JYG,,,,,,,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FLC:E:402,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PE8:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5JDI,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,6JO:B:302,valid,,,,,c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O,
,,,6JO:A:304,valid,,,,,c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O,
,,,6JO:D:302,valid,,,,,c1cc(cc(c1)O)C2=C(C(=O)c3cc(ccc3O2)O)O,
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3ICS,,,,,,,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:556,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:556,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:555,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6J5X,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:A:305,Part of Protein,,,,,[Mn+2],
,,,PYR:B:305,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,2VPY,,,,,,,
,,,MGD:A:1765,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1766,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1765,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1766,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:1767,Part of Protein,,,,,[Mo],
,,,MO:E:1767,Part of Protein,,,,,[Mo],
,,,PCI:C:1252,valid,,,,,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:G:1251,valid,,,,,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,SF4:A:1764,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1194,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1195,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1196,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1197,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1764,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1194,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1195,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1196,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1197,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2VPZ,,,,,,,
,,,MGD:A:1765,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1766,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1765,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:1766,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:1767,Part of Protein,,,,,[Mo],
,,,MO:E:1767,Part of Protein,,,,,[Mo],
,,,SF4:A:1764,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1194,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1195,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1196,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1197,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1764,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1194,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1195,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1196,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:1197,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,2Z3U,,,,,,,
,,,CRR:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5,
,,,CRR:A:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5,
,,,CRR:A:503,valid,,,,,c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3A1L,,,,,,,
,,,2CC:A:501,valid,,,,,c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)O)C(=O)O)c4c[nH]c5c4cccc5Cl,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,1QZZ,,,,,,,
,,,ACT:A:421,invalid,,,,,CC(=O)[O-],
,,,SAM:A:635,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1R00,,,,,,,
,,,ACT:A:421,invalid,,,,,CC(=O)[O-],
,,,SAH:A:635,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4NTD,,,,,,,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:401,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5IUW,,,,,,,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,IAC:A:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:B:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,5IUV,,,,,,,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5L4L,,,,,,,
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,7OX:A:303,valid,ic50,=,75,uM,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)C(=O)[C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)OC(=O)/C=C/C=C/C=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,5L3Z,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2JL1,,,,,,,
,,,GOL:A:1289,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1290,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1291,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1293,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1288,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2VRB,,,,,,,
,,,NAP:A:1286,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3CGD,,,,,,,
,,,COA:A:445,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:445,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:818,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:819,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3CGE,,,,,,,
,,,COA:A:445,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:445,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3CGC,,,,,,,
,,,COA:A:445,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:445,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5AG3,,,,,,,
,,,3EB:B:1341,valid,,,,,c1cc(cc(c1)C(=O)O)CCC(=O)O,
,,,3EB:A:1341,valid,,,,,c1cc(cc(c1)C(=O)O)CCC(=O)O,
,,,SO4:C:1341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:1347,invalid,,,,,C(COCCO)O,
,,,PEG:B:1343,invalid,,,,,C(COCCO)O,
,,,PEG:C:1344,invalid,,,,,C(COCCO)O,
,,,PEG:A:1344,invalid,,,,,C(COCCO)O,
,,,PEG:A:1350,invalid,,,,,C(COCCO)O,
,,,PEG:A:1346,invalid,,,,,C(COCCO)O,
,,,PEG:B:1344,invalid,,,,,C(COCCO)O,
,,,PEG:C:1345,invalid,,,,,C(COCCO)O,
,,,PEG:C:1343,invalid,,,,,C(COCCO)O,
,,,PEG:A:1349,invalid,,,,,C(COCCO)O,
,,,PEG:C:1346,invalid,,,,,C(COCCO)O,
,,,PEG:A:1348,invalid,,,,,C(COCCO)O,
,,,PEG:A:1345,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6GCL,,,,,,,
,,,EUE:B:302,valid,ic50,=,34.2,uM,CS(=O)(=O)c1ccc2c(c1)sc(n2)N,
,,,EUE:A:302,valid,ic50,=,34.2,uM,CS(=O)(=O)c1ccc2c(c1)sc(n2)N,
,,,EUE:C:302,valid,ic50,=,34.2,uM,CS(=O)(=O)c1ccc2c(c1)sc(n2)N,
,,,EUE:D:302,valid,ic50,=,34.2,uM,CS(=O)(=O)c1ccc2c(c1)sc(n2)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5FFF,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,5XC:A:302,valid,ic50,=,425,uM,c1cc2c(cc1C=O)OCO2,
,,5FF9,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AEF:B:302,valid,ic50,=,5230,uM,c1cc(ccc1CCN)O,
,,,AEF:D:301,valid,ic50,=,5230,uM,c1cc(ccc1CCN)O,
,Family. Representative Entry is ,6M9R,,,,,,,
,,,J9Y:A:501,valid,,,,,CN/C(=[N+](CCC[C@@H](C(=O)[O-])N)/O)/N,
,,,J9Y:B:501,valid,,,,,CN/C(=[N+](CCC[C@@H](C(=O)[O-])N)/O)/N,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,1A8P,,,,,,,
,,,FAD:A:259,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2D4V,,,,,,,
,,,FLC:A:3001,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:3101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:3201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:3301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAD:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2101,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:2301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1I0S,,,,,,,
,,,FMN:A:2000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:3000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1I0R,,,,,,,
,,,FMN:A:2000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5OGX,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BR:A:404,invalid,,,,,[Br-],
,Family. Representative Entry is ,6GMZ,,,,,,,
,,,ALA HIS HIS ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)Cc1nc[nH]c1)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,NH4:A:501,invalid,,,,,[NH4+],
,Family. Representative Entry is ,2OG7,,,,,,,
,,,AHB:A:7002,valid,,,,,[C@H]([C@@H](C(=O)N)O)(C(=O)O)N,
,,,FE2:A:5001,Part of Protein,,,,,[Fe+2],
,,,SIN:A:6001,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,5FEU,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6P2I,,,,,,,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,DAR:A:402,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,DAR:B:402,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1YWQ,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4KCF,,,,,,,
,,,AKM:A:501,valid,,,,,C[C@@H]1C([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N)(O)O,
,,,FMN:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3M9V,,,,,,,
,,,TYD:A:901,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3TVQ,,,,,,,
,,,DQH:A:380,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,Family. Representative Entry is ,1JR8,,,,,,,
,,,FAD:A:335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1JRA,,,,,,,
,,,FAD:A:335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:336,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6JHB,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ENO:B:302,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,6JHA,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PGE:B:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:302,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,4R81,,,,,,,
,,,FMN:C:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3U4C,,,,,,,
,,,NDP:A:262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4QLX,,,,,,,
,,,FMN:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,KTC:B:301,valid,,,,,CCCCCCCCC(=O)CCCCCCCCC(=O)O,
,,,KTC:A:302,valid,,,,,CCCCCCCCC(=O)CCCCCCCCC(=O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,4QLY,,,,,,,
,,,FMN:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3S2Y,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:B:200,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PG4:B:202,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1EDO,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,7BVJ,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,F8U:A:402,invalid,,,,,C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)O,
,Family. Representative Entry is ,7JH4,,,,,,,
,,,FNR:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:E:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4OTK,,,,,,,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CL:A:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3GEG,,,,,,,
,,,GOL:A:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,NA:A:251,Part of Protein,,,,,[Na+],
,,,NA:B:250,Part of Protein,,,,,[Na+],
,,,NAD:A:248,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:248,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,THJ:A:250,invalid,,,,,[O-]S(=O)(=O)[S-],
,Family. Representative Entry is ,5Y6Q,,,,,,,
,,,IPA:C:815,invalid,,,,,CC(C)O,
,,,IPA:C:816,invalid,,,,,CC(C)O,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,9421_9422_9423_9424_:C:801,invalid,,,,,,
,,,SO4:C:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:202,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:814,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MCN:C:802,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,Family. Representative Entry is ,3CXO,,,,,,,
,,,1N5:B:502,valid,,,,,C(C[C@@H](C[C@H](C(=O)O)O)O)CO,
,,,3LR:A:501,valid,,,,,C[C@@H]([C@@H](C[C@H](C(=O)O)O)O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5KO8,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IYR:A:302,valid,Kd,=,8.2,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,,,IYR:B:302,valid,Kd,=,8.2,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,,5KRD,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,6X8:A:302,valid,Kd,=,67,uM,c1ccc(c(c1)O)I,
,,,6X8:B:302,valid,Kd,=,67,uM,c1ccc(c(c1)O)I,
,,5KO7,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2AG5,,,,,,,
,,,NAD:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6OW4,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3WVS,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TLA:A:503,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,RRM:A:502,valid,,,,,CCCC[C@H]1CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C,
,Family. Representative Entry is ,3RC1,,,,,,,
,,,CL:A:338,invalid,,,,,[Cl-],
,,,CL:A:339,invalid,,,,,[Cl-],
,,,EDO:A:337,invalid,,,,,C(CO)O,
,,,NA:A:336,Part of Protein,,,,,[Na+],
,,,NAP:A:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:333,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLO:A:334,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,3RCB,,,,,,,
,,,CL:A:334,invalid,,,,,[Cl-],
,,,NA:A:335,Part of Protein,,,,,[Na+],
,,,NAP:A:333,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:336,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLO:A:337,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:A:338,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,3RC7,,,,,,,
,,,CL:A:334,invalid,,,,,[Cl-],
,,,CL:A:338,invalid,,,,,[Cl-],
,,,NA:A:335,Part of Protein,,,,,[Na+],
,,,NAP:A:333,Part of Protein,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:336,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLO:A:337,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,3RBV,,,,,,,
,,,CL:A:335,invalid,,,,,[Cl-],
,,,CL:A:338,invalid,,,,,[Cl-],
,,,EDO:A:333,invalid,,,,,C(CO)O,
,,,NA:A:336,Part of Protein,,,,,[Na+],
,,,NAP:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:337,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3RC9,,,,,,,
,,,CL:A:334,invalid,,,,,[Cl-],
,,,NA:A:335,Part of Protein,,,,,[Na+],
,,,NAP:A:333,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:336,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLO:A:337,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:A:338,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,3RC2,,,,,,,
,,,CL:A:337,invalid,,,,,[Cl-],
,,,CL:A:338,invalid,,,,,[Cl-],
,,,EDO:A:334,invalid,,,,,C(CO)O,
,,,NA:A:339,Part of Protein,,,,,[Na+],
,,,NAP:A:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:333,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLO:A:335,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,Family. Representative Entry is ,1OJ7,,,,,,,
,,,BO3:A:1389,invalid,,,,,B(O)(O)O,
,,,BO3:C:1390,invalid,,,,,B(O)(O)O,
,,,CL:C:1389,invalid,,,,,[Cl-],
,,,NZQ:A:1388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NZQ:B:1388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NZQ:D:1388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(C[C@@H]([C@@H]5O)O)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:B:1389,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1388,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1389,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5HXI,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,BME:A:402,invalid,,,,,C(CS)O,
,,,5HN:A:403,valid,Ki,=,480,uM,c1c(cncc1O)C(=O)O,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3GMC,,,,,,,
,,,3HM:A:381,valid,,,,,Cc1c(cc(cn1)C(=O)O)O,
,,,3HM:B:381,valid,,,,,Cc1c(cc(cn1)C(=O)O)O,
,,,FAD:A:380,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:380,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1JA9,,,,,,,
,,,NDP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PYQ:A:406,valid,Ki,=,420,nM,c1cc2c3c(c1)CCN3C(=O)CC2,
,Family. Representative Entry is ,5OJL,,,,,,,
,,,TXP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,9X5:A:301,valid,,,,,CC1=NCc2ccccc2-c3c1cccc3,
,Family. Representative Entry is ,5HN6,,,,,,,
,,,IPM:A:401,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6B9R,,,,,,,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,2HE:D:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:A:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:B:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:C:502,valid,,,,,C(CP(=O)(O)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1QS0,,,,,,,
,,,COI:B:502,Part of Protein,,,,,CC(C)CC(=O)C(=O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,TDP:A:500,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,Family. Representative Entry is ,5UMY,,,,,,,
,,,TNN:A:201,valid,Kd,=,108,nM,C[C@H]([C@]12[C@@H]3C#C/C=CC#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O,
,,,TNN:A:202,valid,Kd,=,108,nM,C[C@H]([C@]12[C@@H]3C#C/C=CC#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)OC)C5=O)O)O)O,
,,5UMX,,,,,,,
,,,RBF:B:201,valid,Kd,=,1100,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:202,valid,Kd,=,1100,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,6BBX,,,,,,,
,,,D77:A:202,valid,Kd,=,215,nM,C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=CC#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O,
,,,D77:A:201,valid,Kd,=,215,nM,C[C@@]([C@H](C(=O)OC)O)([C@]12[C@@H]3C#C/C=CC#C[C@H]([C@@]1(O2)c4cc(c5c(c4N3)C(=O)c6c(ccc(c6O)O)C5=O)O)O)O,
,Family. Representative Entry is ,1PZ1,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6TO2,,,,,,,
,,,NQ8:A:502,valid,Kd,=,20,nM,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C,
,,,NQ8:B:502,valid,Kd,=,20,nM,C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@@]4([C@H]3CC2)C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4J6C,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,K:B:504,invalid,,,,,[K+],
,,,K:A:505,invalid,,,,,[K+],
,,,STR:A:501,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:503,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4JBT,,,,,,,
,,,K:B:504,invalid,,,,,[K+],
,,,K:A:505,invalid,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,ASD:B:502,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:A:501,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4J6B,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,PLO:B:503,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PLO:A:501,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,K:A:505,invalid,,,,,[K+],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4J6D,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:505,invalid,,,,,[K+],
,,,K:B:505,invalid,,,,,[K+],
,,,TES:A:503,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,TES:B:502,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,2J8Z,,,,,,,
,,,NAP:A:1334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6HOW,,,,,,,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GJQ:D:302,valid,ic50,=,0.186,uM,c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-],
,,,GJQ:B:302,valid,ic50,=,0.186,uM,c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-],
,,,GJQ:A:302,valid,ic50,=,0.186,uM,c1cc(ccc1[C@@H]2N=C(N=C(N2c3ccc(c(c3)Cl)Cl)N)N)[N+](=O)[O-],
,Family. Representative Entry is ,4ZOH,,,,,,,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,PEG:C:203,invalid,,,,,C(COCCO)O,
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,,FES:C:202,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MO:A:802,invalid,,,,,[Mo],
,,,1PE:A:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MCN:A:801,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PG4:B:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACY:B:305,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,1VL0,,,,,,,
,,,NAI:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,UNL:A:301,invalid,,,,,NULL,
,Family. Representative Entry is ,5THQ,,,,,,,
,,,NDP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1XDY,,,,,,,
,,,MTE:A:301,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:302,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:303,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:D:304,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:E:305,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:F:306,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:G:307,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:H:308,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:I:309,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:J:310,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,W:A:401,Part of Protein,,,,,[W+6],
,,,W:B:402,Part of Protein,,,,,[W+6],
,,,W:C:403,Part of Protein,,,,,[W+6],
,,,W:D:404,Part of Protein,,,,,[W+6],
,,,W:E:405,Part of Protein,,,,,[W+6],
,,,W:F:406,Part of Protein,,,,,[W+6],
,,,W:G:407,Part of Protein,,,,,[W+6],
,,,W:H:408,Part of Protein,,,,,[W+6],
,,,W:I:409,Part of Protein,,,,,[W+6],
,,,W:J:410,Part of Protein,,,,,[W+6],
,Family. Representative Entry is ,2BGM,,,,,,,
,,,MAX:A:6001,valid,,,,,COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O,
,,,NAJ:A:1300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6IXM,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6Y4D,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4CW5,,,,,,,
,,,FMN:B:1753,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:1753,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6RA3,,,,,,,
,,,JWH:E:301,valid,,,,,CCCCCCCC(=O)Nc1ccccc1C(=O)O,
,,6RB3,,,,,,,
,,,JWW:B:301,valid,,,,,CCCCCCCc1c(c(c2ccccc2n1)O)O,
,,,JWW:A:301,valid,,,,,CCCCCCCc1c(c(c2ccccc2n1)O)O,
,,,JWW:E:301,valid,,,,,CCCCCCCc1c(c(c2ccccc2n1)O)O,
,Family. Representative Entry is ,1G8K,,,,,,,
,,,CA:A:5007,Part of Protein,,,,,[Ca+2],
,,,CA:A:5008,Part of Protein,,,,,[Ca+2],
,,,CA:C:5107,Part of Protein,,,,,[Ca+2],
,,,CA:C:5108,Part of Protein,,,,,[Ca+2],
,,,CA:E:5207,Part of Protein,,,,,[Ca+2],
,,,CA:E:5208,Part of Protein,,,,,[Ca+2],
,,,CA:G:5307,Part of Protein,,,,,[Ca+2],
,,,CA:G:5308,Part of Protein,,,,,[Ca+2],
,,,EDO:A:7001,invalid,,,,,C(CO)O,
,,,EDO:A:7005,invalid,,,,,C(CO)O,
,,,EDO:C:7002,invalid,,,,,C(CO)O,
,,,EDO:C:7006,invalid,,,,,C(CO)O,
,,,EDO:E:7003,invalid,,,,,C(CO)O,
,,,EDO:E:7007,invalid,,,,,C(CO)O,
,,,EDO:E:7009,invalid,,,,,C(CO)O,
,,,EDO:G:7004,invalid,,,,,C(CO)O,
,,,EDO:G:7008,invalid,,,,,C(CO)O,
,,,F3S:A:5005,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:C:5105,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:E:5205,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:G:5305,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FES:B:5006,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:5106,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:5206,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:H:5306,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MGD:A:5001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:5002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:5101,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:5102,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:5201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:E:5202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:G:5301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:G:5302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,O   4MO:A:5003,invalid,,,,,,
,,,O   4MO:C:5103,invalid,,,,,,
,,,O   4MO:E:5203,invalid,,,,,,
,,,O   4MO:G:5303,invalid,,,,,,
,,1G8J,,,,,,,
,,,F3S:A:2005,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:C:3005,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FES:B:2006,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:3006,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MGD:A:2001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:2002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:3001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:3002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,O   4MO:A:2003,invalid,,,,,,
,,,O   4MO:C:3003,invalid,,,,,,
,Family. Representative Entry is ,2BIW,,,,,,,
,,,3ON:A:1491,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)C=CC(=CC=CC(=C/C=C/C=C(/C)C=CC=C(/C)CO)C)C,
,,,3ON:B:1491,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)C=CC(=CC=CC(=C/C=C/C=C(/C)C=CC=C(/C)CO)C)C,
,,,3ON:C:1491,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)C=CC(=CC=CC(=C/C=C/C=C(/C)C=CC=C(/C)CO)C)C,
,,,3ON:D:1491,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)C=CC(=CC=CC(=C/C=C/C=C(/C)C=CC=C(/C)CO)C)C,
,,,FE:A:1492,Part of Protein,,,,,[Fe+3],
,,,FE:B:1492,Part of Protein,,,,,[Fe+3],
,,,FE:C:1492,Part of Protein,,,,,[Fe+3],
,,,FE:D:1492,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,4ZGS,,,,,,,
,,,NAD:H:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5K6A,,,,,,,
,,,6QT:D:302,valid,ic50,=,31,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,6QT:B:302,valid,ic50,=,31,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,6QT:A:302,valid,ic50,=,31,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,6QT:C:302,valid,ic50,=,31,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4HEQ,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3F6R,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:150,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:151,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:152,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3F6S,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:150,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:151,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:152,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:153,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:156,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:155,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4XB2,,,,,,,
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,HSE:A:1002,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,HSE:B:1002,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,4XB1,,,,,,,
,,,NA:B:1002,Part of Protein,,,,,[Na+],
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,MPD:B:1005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1OQC,,,,,,,
,,,FAD:A:126,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:126,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:126,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:126,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6H3O,,,,,,,
,,,GOL:H:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,FAD:D:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4A3U,,,,,,,
,,,ACT:A:1358,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1358,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1357,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1357,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,K:A:1361,Part of Protein,,,,,[K+],
,,,K:B:1362,Part of Protein,,,,,[K+],
,,,NA:A:1360,Part of Protein,,,,,[Na+],
,,,NA:B:1360,Part of Protein,,,,,[Na+],
,,,NA:B:1361,Part of Protein,,,,,[Na+],
,,,NCA:A:1359,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1359,valid,,,,,c1cc(cnc1)C(=O)N,
,Family. Representative Entry is ,3WIS,,,,,,,
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:201,valid,Kd,=,40,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:202,valid,Kd,=,40,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.1.1.3,,,,,,,,,
,Family. Representative Entry is ,1GT6,,,,,,,
,,,OLA:A:1270,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1270,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1LLF,,,,,,,
,,,F23:A:800,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,
,,,F23:B:1800,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCC(=O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1CLE,,,,,,,
,,,CLL:A:801,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,
,,,CLL:B:802,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,
,,,NAG:A:535,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:535,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6KSI,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,DAO:A:405,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,6NA:A:403,valid,,,,,CCCCCC(=O)O,
,,,6NA:B:403,valid,,,,,CCCCCC(=O)O,
,,,BUA:A:409,valid,,,,,CCCC(=O)O,
,,,BUA:B:407,valid,,,,,CCCC(=O)O,
,,,LEA:B:405,valid,,,,,CCCCC(=O)O,
,,,LEA:A:406,valid,,,,,CCCCC(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,OCA:A:407,valid,,,,,CCCCCCCC(=O)O,
,,,OCA:B:406,valid,,,,,CCCCCCCC(=O)O,
,,,PLM:A:408,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6KSM,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,DAO:A:405,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:405,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DH9:B:403,invalid,,,,,CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O,
,,,DH9:A:403,invalid,,,,,CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O,
,,,BUA:A:406,valid,,,,,CCCC(=O)O,
,,,BUA:B:407,valid,,,,,CCCC(=O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,STE:B:406,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3ICV,,,,,,,
,,,BTB:A:403,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3ICW,,,,,,,
,,,MHH:A:900,valid,,,,,CCCCCC[P@@](=O)(O)OC,
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6TP8,,,,,,,
,,,NTK:C:401,valid,,,,,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,
,,,NTK:A:404,valid,,,,,CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,DEP:C:402,invalid,,,,,CCOP(=O)OCC,
,,,DEP:B:401,invalid,,,,,CCOP(=O)OCC,
,,,DEP:A:401,invalid,,,,,CCOP(=O)OCC,
,,1LBT,,,,,,,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,T80:A:900,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC,
,,,T80:B:900,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC,
,,6J1T,,,,,,,
,,,CL:B:412,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:411,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,CL:B:413,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:404,invalid,,,,,C(COCCOCCO)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,PEG:B:414,invalid,,,,,C(COCCO)O,
,,,PEG:B:415,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,B7U:A:401,valid,,,,,C[C@@H](c1ccccc1)C(=O)N[C@H](C)c2ccccc2,
,Family. Representative Entry is ,2ZYI,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,,,STE:A:500,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:500,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3A70,,,,,,,
,,,ACT:A:631,invalid,,,,,CC(=O)[O-],
,,,ACT:C:631,invalid,,,,,CC(=O)[O-],
,,,CA:A:618,Part of Protein,,,,,[Ca+2],
,,,CA:A:619,Part of Protein,,,,,[Ca+2],
,,,CA:A:620,Part of Protein,,,,,[Ca+2],
,,,CA:A:621,Part of Protein,,,,,[Ca+2],
,,,CA:A:622,Part of Protein,,,,,[Ca+2],
,,,CA:A:623,Part of Protein,,,,,[Ca+2],
,,,CA:A:624,Part of Protein,,,,,[Ca+2],
,,,CA:A:625,Part of Protein,,,,,[Ca+2],
,,,CA:A:626,Part of Protein,,,,,[Ca+2],
,,,CA:A:627,Part of Protein,,,,,[Ca+2],
,,,CA:A:628,Part of Protein,,,,,[Ca+2],
,,,CA:C:618,Part of Protein,,,,,[Ca+2],
,,,CA:C:619,Part of Protein,,,,,[Ca+2],
,,,CA:C:620,Part of Protein,,,,,[Ca+2],
,,,CA:C:621,Part of Protein,,,,,[Ca+2],
,,,CA:C:622,Part of Protein,,,,,[Ca+2],
,,,CA:C:623,Part of Protein,,,,,[Ca+2],
,,,CA:C:624,Part of Protein,,,,,[Ca+2],
,,,CA:C:625,Part of Protein,,,,,[Ca+2],
,,,CA:C:626,Part of Protein,,,,,[Ca+2],
,,,CA:C:627,Part of Protein,,,,,[Ca+2],
,,,CA:C:628,Part of Protein,,,,,[Ca+2],
,,,DEP:A:629,invalid,,,,,CCOP(=O)OCC,
,,,DEP:C:629,invalid,,,,,CCOP(=O)OCC,
,,,NPO:A:630,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:C:630,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
4.2.2.5,,,,,,,,,
,Family. Representative Entry is ,1HMU,,,,,,,
,,,ASG GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,CA:A:1801,Part of Protein,,,,,[Ca+2],
,,,MAN GCU RAM:C:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYP MXY:B:1,Part of Protein,,,,,,
,,1HM3,,,,,,,
,,,CA:A:1801,Part of Protein,,,,,[Ca+2],
,,,MAN GCU RAM:C:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYP MXY:B:1,Part of Protein,,,,,,
,,,NAG BDP:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(CO)OC1O)C,
,,1HMW,,,,,,,
,,,CA:A:1801,Part of Protein,,,,,[Ca+2],
,,,MAN GCU RAM:C:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYP MXY:B:1,Part of Protein,,,,,,
,,,NG6 BDP ASG GCD:D:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C(OC3C(NC(=O)C)C(OC4C(O)C(O)CC(C(=O)[O-])O4)C(OS(=O)(=O)[O-])C(CO)O3)C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,1HM2,,,,,,,
,,,CA:A:1801,Part of Protein,,,,,[Ca+2],
,,,MAN GCU RAM:C:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYP MXY:B:1,Part of Protein,,,,,,
,,,ASG IDR ASG IDR:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(NC(=O)C)C(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(CO)OC(O)C3NC(=O)C)OC2C(=O)[O-])OC1CO)[O-],
,Family. Representative Entry is ,1RWH,,,,,,,
,,,ASG GCT ASG GAD:B:1,valid,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,PO4:A:850,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RWF,,,,,,,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,PO4:A:850,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ASG GCT ASG GAD:B:1,valid,,,,,,
,,1RWC,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,NAG GAD:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(O)C(CO)OC1O)C,
,,,PO4:A:850,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RWG,,,,,,,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,PO4:A:850,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ASG GCT ASG GAD:B:1,valid,,,,,,
3.4.14.-,,,,,,,,,
,Family. Representative Entry is ,5JWI,,,,,,,
,,,ARG GLU:A:801,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,ARG GLU:B:803,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,5JWG,,,,,,,
,,,ARG ASP:B:801,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(N)CCCNC(=[NH2+])N,
,,,ARG ASP:A:801,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(N)CCCNC(=[NH2+])N,
,,,NA:A:804,Part of Protein,,,,,[Na+],
,,,EDO:A:803,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6JTC,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,C8O:B:801,valid,Ki,=,8.45,uM,c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN,
,,,C8O:A:802,valid,Ki,=,8.45,uM,c1cc(c(cc1[N+](=O)[O-])C(=O)O)NCCN,
,,6JTB,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,K:A:809,Part of Protein,,,,,[K+],
,,,K:A:810,Part of Protein,,,,,[K+],
,,,PEG:A:801,invalid,,,,,C(COCCO)O,
,,,CIT:A:803,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:804,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:802,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5JXF,,,,,,,
,,,ARG ASP:B:801,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(N)CCCNC(=[NH2+])N,
,,,ARG ASP:A:801,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(N)CCCNC(=[NH2+])N,
,,,CL:D:802,invalid,,,,,[Cl-],
,,,CL:C:801,invalid,,,,,[Cl-],
,,,CL:D:801,invalid,,,,,[Cl-],
,,,NA:D:803,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3WOL,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:808,invalid,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,ZN:A:807,Part of Protein,,,,,[Zn+2],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,VAL TYR:B:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,,VAL TYR:A:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,3WON,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:808,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,ZN:B:808,Part of Protein,,,,,[Zn+2],
,,,ZN:B:807,Part of Protein,,,,,[Zn+2],
,,,VAL TYR:B:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,,VAL TYR:A:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,3WOP,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ZN:B:807,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,VAL TYR ILE HIS PRO PHE:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,,VAL TYR ILE HIS PRO PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,3WOQ,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ZN:A:807,Part of Protein,,,,,[Zn+2],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,VAL TYR ILE HIS PRO PHE:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,,VAL TYR ILE HIS PRO PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,3WOM,,,,,,,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:807,Part of Protein,,,,,[Zn+2],
,,,ZN:A:810,Part of Protein,,,,,[Zn+2],
,,,ZN:B:808,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,VAL TYR:A:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,,VAL TYR:B:801,valid,Ki,=,0.41,mM,O=C([O-])C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1,
,,4Y06,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,LEU GLU:A:801,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(C)C)CCC(=O)[O-],
,,,LEU GLU:B:801,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(C)C)CCC(=O)[O-],
,,,ZN:A:810,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,ZN:A:811,Part of Protein,,,,,[Zn+2],
,,,ZN:B:811,Part of Protein,,,,,[Zn+2],
,,,ZN:B:812,Part of Protein,,,,,[Zn+2],
,,3WOO,,,,,,,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,ZN:A:810,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,VAL TYR ILE HIS PRO PHE:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,,VAL TYR ILE HIS PRO PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,3WOR,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,ASP ARG VAL TYR ILE HIS PRO PHE:D:1,valid,,,,,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCCNC(=[NH2+])N)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,,ASP ARG VAL TYR ILE HIS PRO PHE:C:1,valid,,,,,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCCNC(=[NH2+])N)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,,ZN:A:808,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:B:804,Part of Protein,,,,,[Zn+2],
3.2.1.156,,,,,,,,,
,Family. Representative Entry is ,6SUD,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,XYP:B:510,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:508,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:509,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,6TO0,,,,,,,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,XYP XYP XYP AHR:D:1,valid,,,,,O(C1C(O)C(O)COC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2)OC1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP XYP AHR:C:1,valid,,,,,O(C1C(O)C(O)COC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2)OC1)C1C(O)C(O)C(CO)O1,
,,6SRD,,,,,,,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,XYP:A:1001,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:1001,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,6TOW,,,,,,,
,,,XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,6TRH,,,,,,,
,,,XYP XYP XYP AHR XYP:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP XYP AHR XYP:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP XYP AHR XYP:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP XYP AHR XYP:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1WU6,,,,,,,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,NI:A:1400,Part of Protein,,,,,[Ni+2],
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,1WU5,,,,,,,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,NI:A:1400,Part of Protein,,,,,[Ni+2],
,,,XYP:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
1.1.1.252,,,,,,,,,
,Family. Representative Entry is ,1G0N,,,,,,,
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PHH:A:402,valid,Ki,=,25,nM,C1c2c(c(c(c(c2Cl)Cl)Cl)Cl)C(=O)O1,
,,1G0O,,,,,,,
,,,NDP:A:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PYQ:A:1404,valid,Ki,=,14,nM,c1cc2c3c(c1)CCN3C(=O)CC2,
,,,PYQ:B:1405,valid,Ki,=,14,nM,c1cc2c3c(c1)CCN3C(=O)CC2,
,,,PYQ:C:1406,valid,Ki,=,14,nM,c1cc2c3c(c1)CCN3C(=O)CC2,
,,,PYQ:D:1407,valid,Ki,=,14,nM,c1cc2c3c(c1)CCN3C(=O)CC2,
,,1DOH,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NID:A:502,valid,Ki,=,2.4,nM,c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O,
,,,NID:B:503,valid,Ki,=,2.4,nM,c1cc2c(c(c1)[N+](=O)[O-])C=CC2=O,
3.4.21.64,,,,,,,,,
,Family. Representative Entry is ,1P7W,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,CA:A:481,Part of Protein,,,,,[Ca+2],
,,,NO3:A:502,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:503,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:504,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:505,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:507,invalid,,,,,[N+](=O)([O-])[O-],
,,,PRO ALA PRO PHE ALA SER ALA:B:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2[NH2+]CCC2)C)CCC1)Cc1ccccc1)C)CO,
,,1P7V,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,CA:A:481,Part of Protein,,,,,[Ca+2],
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:502,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:503,invalid,,,,,[N+](=O)([O-])[O-],
,,,PRO ALA PRO PHE ALA ALA ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C(NC(=O)C1N(C(=O)C(NC(=O)C2[NH2+]CCC2)C)CCC1)Cc1ccccc1,
,,1PJ8,,,,,,,
,,,PRO ALA PRO PHE PRO ALA NH2:I:280,valid,,,,,O=C([NH3+])C(NC(=O)C1[NH2+]CCC1)C.O=C(C(NC(=O)C1[NH2+]CCC1)C)N1C(C(=O)NC(C=O)Cc2ccccc2)CCC1,
,,1PFG,,,,,,,
,,,ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2:B:280,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)C.O=C(C(NC(=O)C1N(C(=O)C)CCC1)C)N1C(C(=O)NC(C=O)Cc2ccccc2)CCC1,
,,6TXG,,,,,,,
,,,NYN:A:307,valid,,,,,C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4,
,,,NYN:A:309,valid,,,,,C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NO3:A:303,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:302,invalid,,,,,[N+](=O)([O-])[O-],
,,,TFS:A:310,valid,,,,,C(F)(F)(F)S(=O)(=O)O,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,1PEK,,,,,,,
,,,DAL ALA NH2:D:5,valid,,,,,O=CC(N[CH-]C([NH3+])C)C.O,
,,,PRO ALA PRO PHE:C:1,invalid,,,,,,
,,1OYO,,,,,,,
,,,3ID:A:694,valid,,,,,c1c[nH]c2c1cc(c(c2)O)O,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
3.6.1.23,,,,,,,,,
,Family. Representative Entry is ,1SJN,,,,,,,
,,,DUP:A:1170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:2170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:3170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:C:171,invalid,,,,,[Mg+2],
,,,MG:A:171,invalid,,,,,[Mg+2],
,,,MG:B:171,invalid,,,,,[Mg+2],
,,,NO3:B:172,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:172,invalid,,,,,[N+](=O)([O-])[O-],
,,,TRS:A:1171,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,2YAY,,,,,,,
,,,CA:A:1266,Part of Protein,,,,,[Ca+2],
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,DUP:A:1265,valid,Kd,=,0.8,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2CJE,,,,,,,
,,,DUN:A:1266,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,,,MG:A:1267,Part of Protein,,,,,[Mg+2],
,,,MG:A:1268,Part of Protein,,,,,[Mg+2],
,,,MG:A:1269,Part of Protein,,,,,[Mg+2],
,,2YB0,,,,,,,
,,,DUR:A:1266,valid,Kd,=,140,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:1266,valid,Kd,=,140,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:D:1266,valid,Kd,=,140,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:E:1266,valid,Kd,=,140,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,SO4:A:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YAZ,,,,,,,
,,,MG:A:1267,Part of Protein,,,,,[Mg+2],
,,,MG:D:1266,Part of Protein,,,,,[Mg+2],
,,,MG:E:1267,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMP:A:1265,valid,Kd,=,7.3,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:1265,valid,Kd,=,7.3,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:1265,valid,Kd,=,7.3,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:1266,valid,Kd,=,7.3,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,4GV8,,,,,,,
,,,DUP:C:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:E:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:F:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:D:201,valid,Kd,=,0.32,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:E:202,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:F:202,invalid,,,,,[Mg+2],
,,,MG:D:203,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5H4J,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,FKM:A:201,valid,Ki,=,0.13,uM,C[C@H](c1cccc(c1)OC2CCCC2)NS(=O)(=O)CCCOCN3C=CC(=O)NC3=O,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,3EHW,,,,,,,
,,,DUP:A:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:C:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:Z:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:X:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:Y:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:Y:165,Part of Protein,,,,,[Mg+2],
,,,MG:A:165,Part of Protein,,,,,[Mg+2],
,,,MG:A:778,Part of Protein,,,,,[Mg+2],
,,,MG:B:165,Part of Protein,,,,,[Mg+2],
,,,MG:X:165,Part of Protein,,,,,[Mg+2],
,,,MG:X:778,Part of Protein,,,,,[Mg+2],
,,2HQU,,,,,,,
,,,CL:C:999,invalid,,,,,[Cl-],
,,,DUP:A:777,valid,Kd,=,7.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:777,valid,Kd,=,7.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:C:777,valid,Kd,=,7.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:997,invalid,,,,,[Mg+2],
,,,MG:A:998,invalid,,,,,[Mg+2],
,,,MG:B:999,invalid,,,,,[Mg+2],
,,,MG:C:998,invalid,,,,,[Mg+2],
,,3ARA,,,,,,,
,,,MG:A:166,Part of Protein,,,,,[Mg+2],
,,,MG:B:166,Part of Protein,,,,,[Mg+2],
,,,MKH:A:165,valid,ic50,=,0.32,uM,c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O,
,,,MKH:B:165,valid,ic50,=,0.32,uM,c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O,
,,,MKH:C:165,valid,ic50,=,0.32,uM,c1ccc(cc1)C(c2ccccc2)([C@H]3CCCN3S(=O)(=O)CCCN4C=CC(=O)NC4=O)O,
,,3ARN,,,,,,,
,,,MG:A:166,Part of Protein,,,,,[Mg+2],
,,,MG:A:167,Part of Protein,,,,,[Mg+2],
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:B:166,Part of Protein,,,,,[Mg+2],
,,,MG:B:167,Part of Protein,,,,,[Mg+2],
,,,MG:C:166,Part of Protein,,,,,[Mg+2],
,,,MSJ:A:165,valid,ic50,=,3.9,uM,CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2,
,,,MSJ:B:165,valid,ic50,=,3.9,uM,CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2,
,,,MSJ:C:165,valid,ic50,=,3.9,uM,CC(C)(CCCOCN1C=CC(=O)NC1=O)NS(=O)(=O)c2ccccc2,
,Family. Representative Entry is ,5MYD,,,,,,,
,,,DUP:C:201,valid,ic50,=,13.9,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,ic50,=,13.9,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:201,valid,ic50,=,13.9,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:D:201,valid,ic50,=,13.9,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3P48,,,,,,,
,,,DUP:B:149,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:148,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:148,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:C:148,invalid,,,,,[Mg+2],
,,,MG:A:149,invalid,,,,,[Mg+2],
,,,MG:B:150,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3T64,,,,,,,
,,,ALA HIS ALA:F:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1,
,,,DU3:A:201,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O,
,,,DU3:B:201,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O,
,,,DU3:C:201,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)NC[C@@H]3[C@H](C[C@@H](O3)N4C=CC(=O)NC4=O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y8C,,,,,,,
,,,DUQ:A:400,valid,Ki,=,0.4,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO,
,,,DUQ:B:400,valid,Ki,=,0.4,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO,
,,,DUQ:C:400,valid,Ki,=,0.4,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO,
,,,SO4:A:1168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T60,,,,,,,
,,,DUA:A:182,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O,
,,,DUA:B:182,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O,
,,,DUA:C:182,valid,Ki,=,0.2,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O,
,,,GOL:A:183,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:183,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:183,invalid,,,,,C(C(CO)O)O,
,,1VYQ,,,,,,,
,,,DUX:A:1160,valid,Ki,=,4.98,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F,
,,,DUX:B:1160,valid,Ki,=,4.98,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F,
,,,DUX:C:1160,valid,Ki,=,4.98,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)F,
,,3T70,,,,,,,
,,,DU4:A:400,valid,Ki,=,0.5,uM,C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4,
,,,DU4:B:400,valid,Ki,=,0.5,uM,C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4,
,,,DU4:C:400,valid,Ki,=,0.5,uM,C[N@](C[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=O)NC2=O)O)C(c3ccccc3)c4ccccc4,
,,,GLY HIS GLY:F:1,valid,,,,,O=C(NCC=O)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,SO4:A:182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:183,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:183,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6S1V,,,,,,,
,,,PRO 0A1 VAL PSA ALA MET THR:I:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1ccc(OC)cc1)C(C)C)Cc1ccccc1)C)C(=O)NC(C(=O)[O-])C(O)C)C,
,,6S1U,,,,,,,
,,,PRO 0A1 VAL PSA ALA MET THR:I:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1ccc(OC)cc1)C(C)C)Cc1ccccc1)C)C(=O)NC(C(=O)[O-])C(O)C)C,
,Family. Representative Entry is ,4OOP,,,,,,,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,DUP:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1F7K,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,UMP:A:704,valid,Ki,=,15,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,Ki,=,15,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1F7R,,,,,,,
,,,MG:A:137,Part of Protein,,,,,[Mg+2],
,,,UDP:A:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1F7N,,,,,,,
,,,MG:A:137,Part of Protein,,,,,[Mg+2],
,,,MG:A:138,Part of Protein,,,,,[Mg+2],
,,,MG:B:120,Part of Protein,,,,,[Mg+2],
,,,UMP:A:139,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:337,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1F7Q,,,,,,,
,,,DUT:A:802,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:C:801,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,1F7P,,,,,,,
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:702,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2WE0,,,,,,,
,,,SO4:A:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEO:A:1259,invalid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,UMP:A:1257,valid,Kd,=,37,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2WE1,,,,,,,
,,,SO4:A:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMP:A:1257,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2BSY,,,,,,,
,,,SO4:A:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMP:A:1257,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2WE3,,,,,,,
,,,DUT MG:A:1257,valid,,,,,P(=O)(OP(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C=C2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WE2,,,,,,,
,,,SO4:A:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMP:A:1258,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,3F4F,,,,,,,
,,,EDO:B:148,invalid,,,,,C(CO)O,
,,,EDO:B:149,invalid,,,,,C(CO)O,
,,,NA:A:148,invalid,,,,,[Na+],
,,,PEG:C:148,invalid,,,,,C(COCCO)O,
,,,PEG:C:149,invalid,,,,,C(COCCO)O,
,,,UMP:A:200,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:200,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:200,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,4DL8,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,UMP AF3 PO4:A:301,valid,,,,,P(=O)(O[Al-2](F)(F)(F)OP(=O)([O-])[O-])(OCC1C(O)CC(N2C(=O)NC(=O)C=C2)O1)[O-],
,,4DK4,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,DUN:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,,,DUN:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,4DLC,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MGF:A:302,invalid,,,,,F[Mg-](F)F,
,,,UMP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4DKB,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,DUN:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,Family. Representative Entry is ,1DUC,,,,,,,
,,,DUD:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,SR:A:202,invalid,,,,,[Sr+2],
,Family. Representative Entry is ,2D4N,,,,,,,
,,,MG:A:999,invalid,,,,,[Mg+2],
,,,DUP:A:777,valid,Kd,=,1.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TRS:A:1001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6HDE,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,DUP:A:202,valid,Kd,=,60.8,nM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:201,valid,Kd,=,60.8,nM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,Kd,=,60.8,nM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1SEH,,,,,,,
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UMP:A:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1DUD,,,,,,,
,,,DUD:A:153,valid,Ki,=,15,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1SYL,,,,,,,
,,,DUT:A:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:997,invalid,,,,,[Mg+2],
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1RN8,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,DUP:A:777,valid,Kd,=,1,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:999,invalid,,,,,[Mg+2],
,,,TRS:A:800,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1RNJ,,,,,,,
,,,DUP:A:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,TRS:A:801,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:802,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2HR6,,,,,,,
,,,DUD:A:777,valid,Kd,=,12,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,MN:A:997,invalid,,,,,[Mn+2],
,,2HRM,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,UC5:A:777,valid,Kd,=,278.5,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(CP(=O)(O)O)O)O,
,Family. Representative Entry is ,4B0H,,,,,,,
,,,MG:B:1147,invalid,,,,,[Mg+2],
,,,MG:C:1150,invalid,,,,,[Mg+2],
,,,DUR:A:1132,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:C:1148,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,POP:C:1149,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,CL:A:1133,invalid,,,,,[Cl-],
,,,CL:C:1145,invalid,,,,,[Cl-],
,,,PG4:A:1134,invalid,,,,,C(COCCOCCOCCO)O,
,,4AOZ,,,,,,,
,,,MG:B:1147,invalid,,,,,[Mg+2],
,,,MG:C:1150,invalid,,,,,[Mg+2],
,,,DUR:A:1132,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:C:1148,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,POP:C:1149,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,CL:C:1147,invalid,,,,,[Cl-],
,,,ACT:C:1146,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1145,invalid,,,,,CC(=O)[O-],
,,4AOO,,,,,,,
,,,POP MG:C:1147,invalid,,,,,,
,,,POP MG:A:1146,invalid,,,,,,
,,,POP MG:B:1146,invalid,,,,,,
,,,DUR:C:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:A:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:D:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,PO4:C:1146,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:D:1148,invalid,,,,,[Mg+2],
,,,POP:D:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,2XCE,,,,,,,
,,,CA:A:1132,Part of Protein,,,,,[Ca+2],
,,,CA:A:1134,Part of Protein,,,,,[Ca+2],
,,,CA:B:1132,Part of Protein,,,,,[Ca+2],
,,,CA:C:1132,Part of Protein,,,,,[Ca+2],
,,,CA:D:1133,Part of Protein,,,,,[Ca+2],
,,,CA:D:1146,Part of Protein,,,,,[Ca+2],
,,,CA:E:1146,Part of Protein,,,,,[Ca+2],
,,,CA:E:1147,Part of Protein,,,,,[Ca+2],
,,,DUP:A:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:C:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:D:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:E:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:F:1131,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:1133,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1135,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1132,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1134,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1132,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1132,invalid,,,,,C(C(CO)O)O,
,,4AO5,,,,,,,
,,,NA:C:1130,invalid,,,,,[Na+],
,,,NA:B:1130,invalid,,,,,[Na+],
,,,NA:E:1130,invalid,,,,,[Na+],
,,,NA:D:1130,Part of Protein,,,,,[Na+],
,,,NA:A:1130,Part of Protein,,,,,[Na+],
,,,UMP:C:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:1129,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2Y1T,,,,,,,
,,,DUD:B:143,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:C:143,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:D:143,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:E:143,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:E:144,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4APZ,,,,,,,
,,,POP:K:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:P:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:S:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:2:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:T:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:I:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:F:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:H:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:Z:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:X:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:G:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:4:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:E:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:U:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:M:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:5:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:3:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:O:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:8:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:J:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:9:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:Y:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:N:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:L:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:W:1146,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,DUR:U:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:Y:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:O:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:G:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:X:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:H:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:9:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:J:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:7:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:5:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:4:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:8:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:W:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:E:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:1:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:Q:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:I:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:R:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:V:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:F:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:L:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:2:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:N:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:6:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:Z:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:K:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:D:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:S:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:T:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:C:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:3:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:A:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:M:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:P:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,POP MG:K:1146,invalid,,,,,,
,,,POP MG:I:1146,invalid,,,,,,
,,,POP MG:7:1146,invalid,,,,,,
,,,POP MG:1:1146,invalid,,,,,,
,,,POP MG:J:1146,invalid,,,,,,
,,,POP MG:Q:1146,invalid,,,,,,
,,,POP MG:V:1146,invalid,,,,,,
,,,POP MG:D:1146,invalid,,,,,,
,,,POP MG:C:1146,invalid,,,,,,
,,,POP MG:M:1146,invalid,,,,,,
,,,POP MG:6:1146,invalid,,,,,,
,,,POP MG:F:1146,invalid,,,,,,
,,,POP MG:R:1146,invalid,,,,,,
,,,POP MG:B:1146,invalid,,,,,,
,,,MG:U:1147,invalid,,,,,[Mg+2],
,,,MG:D:1147,invalid,,,,,[Mg+2],
,,,MG:5:1147,invalid,,,,,[Mg+2],
,,,MG:H:1147,invalid,,,,,[Mg+2],
,,,MG:F:1147,invalid,,,,,[Mg+2],
,,,MG:I:1147,invalid,,,,,[Mg+2],
,,,MG:X:1147,invalid,,,,,[Mg+2],
,,,MG:B:1147,invalid,,,,,[Mg+2],
,,,MG:N:1147,invalid,,,,,[Mg+2],
,,,MG:Y:1147,invalid,,,,,[Mg+2],
,,,MG:K:1147,invalid,,,,,[Mg+2],
,,,MG:4:1147,invalid,,,,,[Mg+2],
,,,MG:J:1147,invalid,,,,,[Mg+2],
,,,MG:A:1147,invalid,,,,,[Mg+2],
,,,MG:G:1147,invalid,,,,,[Mg+2],
,,,MG:L:1147,invalid,,,,,[Mg+2],
,,,MG:2:1147,invalid,,,,,[Mg+2],
,,,MG:3:1147,invalid,,,,,[Mg+2],
,,,MG:S:1147,invalid,,,,,[Mg+2],
,,,MG:Z:1147,invalid,,,,,[Mg+2],
,,,MG:8:1147,invalid,,,,,[Mg+2],
,,,MG:W:1147,invalid,,,,,[Mg+2],
,,,MG:O:1147,invalid,,,,,[Mg+2],
,,,MG:E:1147,invalid,,,,,[Mg+2],
,,,MG:M:1147,invalid,,,,,[Mg+2],
,,,MG:P:1147,invalid,,,,,[Mg+2],
,,,MG:T:1147,invalid,,,,,[Mg+2],
,,,MG:9:1147,invalid,,,,,[Mg+2],
,,,PO4:L:1148,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1148,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2OL1,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,UMP:C:1201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2OL0,,,,,,,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,DUD:B:1202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:C:1201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:C:1203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,2OKE,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,DUP:A:200,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:C:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1W2Y,,,,,,,
,,,DUN:A:1230,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,,,DUN:B:1230,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(NP(=O)(O)O)O)O,
,,,MG:A:1231,Part of Protein,,,,,[Mg+2],
,,,MG:A:1232,Part of Protein,,,,,[Mg+2],
,,,MG:A:1233,Part of Protein,,,,,[Mg+2],
,,,MG:B:1231,Part of Protein,,,,,[Mg+2],
,,,MG:B:1232,Part of Protein,,,,,[Mg+2],
,,,MG:B:1233,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PY4,,,,,,,
,,,DUP:A:777,valid,Kd,=,0.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3I93,,,,,,,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3H6D,,,,,,,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3HZA,,,,,,,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5EDD,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,DUP:A:202,valid,Kd,=,5.7,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1SIX,,,,,,,
,,,DUP:A:170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:171,invalid,,,,,[Mg+2],
,,,TRS:A:172,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5ECT,,,,,,,
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,DUP:A:201,valid,Kd,=,5.2,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1SNF,,,,,,,
,,,MG:A:2171,invalid,,,,,[Mg+2],
,,,MG:B:3171,invalid,,,,,[Mg+2],
,,,MG:C:1171,invalid,,,,,[Mg+2],
,,,NO3:A:2172,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:3172,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:1172,invalid,,,,,[N+](=O)([O-])[O-],
,,,TRS:B:3173,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:3174,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UMP:A:1170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:2170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:3170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,3LOJ,,,,,,,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:155,invalid,,,,,[Mg+2],
,,,MN:A:156,invalid,,,,,[Mn+2],
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1SMC,,,,,,,
,,,DUT:A:2170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:C:1170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:C:3170,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,NO3:C:155,invalid,,,,,[N+](=O)([O-])[O-],
,,,TRS:A:2171,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:155,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:3171,invalid,,,,,C(C(CO)(CO)[NH3+])O,
4.2.1.172,,,,,,,,,
,Family. Representative Entry is ,6VXE,,,,,,,
,,,HYP:E:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:G:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:C:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:H:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:A:801,valid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:B:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:F:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:D:801,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
2.1.1.1,,,,,,,,,
,Family. Representative Entry is ,5YJI,,,,,,,
,,,8WO:B:302,valid,ic50,=,5,uM,CN1CC(=CC=C1OC)C(=O)N,
,,,8WO:A:302,valid,ic50,=,5,uM,CN1CC(=CC=C1OC)C(=O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5XVK,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,8GC:A:302,valid,ic50,=,9,uM,C[n+]1cccc(c1)C(=O)N,
,,,8GC:B:302,valid,ic50,=,9,uM,C[n+]1cccc(c1)C(=O)N,
,Family. Representative Entry is ,6ORR,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,N37:A:301,valid,Ki,=,500,pM,c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,N37:C:301,valid,Ki,=,500,pM,c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,N37:B:301,valid,Ki,=,500,pM,c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,N37:D:301,valid,Ki,=,500,pM,c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,5YJF,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,8WO:C:302,valid,ic50,=,1.8,uM,CN1CC(=CC=C1OC)C(=O)N,
,,,8WO:B:302,valid,ic50,=,1.8,uM,CN1CC(=CC=C1OC)C(=O)N,
,,,8WO:A:302,valid,ic50,=,1.8,uM,CN1CC(=CC=C1OC)C(=O)N,
,,,8WO:D:302,valid,ic50,=,1.8,uM,CN1CC(=CC=C1OC)C(=O)N,
,,5XVQ,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,8GC:A:302,valid,ic50,=,9,uM,C[n+]1cccc(c1)C(=O)N,
,,,8GC:B:302,valid,ic50,=,9,uM,C[n+]1cccc(c1)C(=O)N,
,,6PVE,,,,,,,
,,,OZP:A:301,valid,Ki,=,43,nM,c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O,
,,,OZP:B:301,valid,Ki,=,43,nM,c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O,
,,,OZP:C:301,valid,Ki,=,43,nM,c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O,
,,,OZP:D:301,valid,Ki,=,43,nM,c1cc(cc(c1)C(=O)N)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@H](O2)n3cnc4c3ncnc4N)O)O,
,,6CHH,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,F0P:D:301,valid,,,,,c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,F0P:C:301,valid,,,,,c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,F0P:A:301,valid,,,,,c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,F0P:B:303,valid,,,,,c1cc(cc(c1)C(=O)N)CCN(CCC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
4.2.1.19,,,,,,,,,
,Family. Representative Entry is ,5DNL,,,,,,,
,,,5DL:B:203,valid,,,,,c1ncn(n1)C[C@@H](CP(=O)(O)O)O,
,,,5DL:A:203,valid,,,,,c1ncn(n1)C[C@@H](CP(=O)(O)O)O,
,,,5DL:C:203,valid,,,,,c1ncn(n1)C[C@@H](CP(=O)(O)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:C:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,invalid,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:C:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,invalid,,,,,[Mn+2],
,,5DNX,,,,,,,
,,,MN:B:204,invalid,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:203,invalid,,,,,[Mn+2],
,,,MN:C:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,5LD:B:201,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:B:205,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:A:203,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,Family. Representative Entry is ,6FWH,,,,,,,
,,,MN:F:201,Part of Protein,,,,,[Mn+2],
,,,MN:C:203,Part of Protein,,,,,[Mn+2],
,,,MN:G:201,Part of Protein,,,,,[Mn+2],
,,,MN:H:203,Part of Protein,,,,,[Mn+2],
,,,MN:L:202,Part of Protein,,,,,[Mn+2],
,,,MN:G:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,MN:H:202,Part of Protein,,,,,[Mn+2],
,,,MN:K:202,Part of Protein,,,,,[Mn+2],
,,,MN:I:201,Part of Protein,,,,,[Mn+2],
,,,MN:D:201,Part of Protein,,,,,[Mn+2],
,,,MN:K:203,Part of Protein,,,,,[Mn+2],
,,,MN:F:202,Part of Protein,,,,,[Mn+2],
,,,MN:C:201,Part of Protein,,,,,[Mn+2],
,,,MN:C:202,Part of Protein,,,,,[Mn+2],
,,,MN:E:201,Part of Protein,,,,,[Mn+2],
,,,MN:K:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:L:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:J:201,Part of Protein,,,,,[Mn+2],
,,,MN:H:201,Part of Protein,,,,,[Mn+2],
,,,MN:L:203,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,5LD:A:203,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:J:202,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:B:204,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:B:203,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:K:204,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:F:203,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:H:204,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:I:202,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:L:204,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:C:204,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:E:202,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5LD:D:202,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,MG:L:205,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5ELW,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,MN:A:302,invalid,,,,,[Mn+2],
,,,MN:A:301,invalid,,,,,[Mn+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,TRS:A:306,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,5LD:A:303,valid,Ki,=,15,nM,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,5EL9,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,5DL:A:303,valid,Ki,=,23,nM,c1ncn(n1)C[C@@H](CP(=O)(O)O)O,
,,,TRS:A:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MN:A:302,invalid,,,,,[Mn+2],
,,,MN:A:301,invalid,,,,,[Mn+2],
,,5EKW,,,,,,,
,,,MN:A:401,invalid,,,,,[Mn+2],
,,,MN:A:402,invalid,,,,,[Mn+2],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,TRS:A:412,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:411,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:A:413,invalid,,,,,[Cl-],
,,,5LD:A:404,valid,,,,,c1ncn(n1)C[C@H](CP(=O)(O)O)O,
,,,5DL:A:403,valid,,,,,c1ncn(n1)C[C@@H](CP(=O)(O)O)O,
2.5.1.72,,,,,,,,,
,Family. Representative Entry is ,5KTN,,,,,,,
,,,13P:A:402,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NH4:A:405,invalid,,,,,[NH4+],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5KTS,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NH4:A:406,invalid,,,,,[NH4+],
,,,CIZ:A:402,valid,,,,,C/C(=C/C(=O)O)/C(=O)O,
,,6OR8,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,5XR:A:402,valid,,,,,C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5KTR,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MAE:A:402,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,NH4:A:406,invalid,,,,,[NH4+],
,,6NSU,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,DYA:A:402,valid,,,,,C(=C(/C(=O)O)N)C(=O)O,
,,6NSO,,,,,,,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,13P:A:401,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,5KTP,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ITN:A:403,valid,,,,,C=C(CC(=O)O)C(=O)O,
,,,NH4:A:404,invalid,,,,,[NH4+],
,,,CL:A:402,invalid,,,,,[Cl-],
,,1WZU,,,,,,,
,,,MLT:A:301,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,5KTO,,,,,,,
,,,NTM:A:402,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6ORA,,,,,,,
,,,5XW:A:403,valid,,,,,C(C=O)C(/N=C(/CC(=O)O)C(=O)O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,5XR:B:403,valid,,,,,C(C=O)[C@@H](N[C@@](CC(=O)O)(C(=O)O)O)O,
,,4ZK6,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:B:406,invalid,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NTM:A:402,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:B:402,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,5KTT,,,,,,,
,,,LMR:A:402,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5F33,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,PGH:A:302,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,5F3D,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5UK:A:302,valid,,,,,[H]/N=C([C@H](CC(=O)CO)C(=O)O)/C(=O)O,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6I0P,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,QAS:A:302,valid,,,,,c1cc(nc(c1C(=O)O)C(=O)O)S,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6F48,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,XQB:A:302,valid,,,,,[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,YQA:A:305,valid,,,,,C1[C@H](C=NC(=C1C(=O)O)C(=O)O)O,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,5LQS,,,,,,,
,,,NTM:A:302,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6F4L,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NHE:A:304,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,NTM:A:302,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,5F35,,,,,,,
,,,FLC:A:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6G74,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,PHT:A:302,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:B:302,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,6I0K,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GZ8:A:302,valid,,,,,C1=CC(=S)C=C(C1C(=O)O)C(=O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5LQM,,,,,,,
,,,FLC:A:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6I0R,,,,,,,
,,,FE:A:305,Part of Protein,,,,,[Fe+3],
,,,FE:A:306,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,invalid,,,,,[Fe+3],
,,,H2S:A:308,invalid,,,,,S,
,,,H2S:A:303,invalid,,,,,S,
,,,H2S:A:307,invalid,,,,,S,
,,,H2S:A:304,invalid,,,,,S,
,,,QAT:A:309,valid,,,,,C1C(=S)C=NC(=C1C(=O)O)C(=O)O,
1.2.4.1,,,,,,,,,
,Family. Representative Entry is ,2OZL,,,,,,,
,,,K:B:2332,Part of Protein,,,,,[K+],
,,,K:D:1332,Part of Protein,,,,,[K+],
,,,MG:A:2331,Part of Protein,,,,,[Mg+2],
,,,MG:C:1331,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2330,valid,Kd,=,0.92,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1330,valid,Kd,=,0.92,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1NI4,,,,,,,
,,,K:B:1332,Part of Protein,,,,,[K+],
,,,K:D:2332,Part of Protein,,,,,[K+],
,,,MG:A:1331,Part of Protein,,,,,[Mg+2],
,,,MG:C:2331,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2330,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1330,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3EXE,,,,,,,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1104,invalid,,,,,C(C(CO)O)O,
,,,K:B:1003,Part of Protein,,,,,[K+],
,,,K:D:1006,Part of Protein,,,,,[K+],
,,,K:F:1009,Part of Protein,,,,,[K+],
,,,K:H:1012,Part of Protein,,,,,[K+],
,,,MN:A:1004,Part of Protein,,,,,[Mn+2],
,,,MN:C:1001,Part of Protein,,,,,[Mn+2],
,,,MN:E:1010,Part of Protein,,,,,[Mn+2],
,,,MN:G:1007,Part of Protein,,,,,[Mn+2],
,,,TPP:A:1005,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:1011,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:1008,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,1RP7,,,,,,,
,,,MG:A:890,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TZD:A:889,valid,Ki,>,0.003,uM,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,TZD:B:887,valid,Ki,>,0.003,uM,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,3LQ4,,,,,,,
,,,EPE:A:890,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,PO4:A:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDP:A:887,valid,Kd,=,5.97,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,Kd,=,5.97,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2G25,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,PO4:A:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:890,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:890,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:891,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDK:A:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDK:B:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2QTA,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TDP:A:887,valid,Kd,=,1.75,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,Kd,=,1.75,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2IEA,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TDP:A:887,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1L8A,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TDP:A:887,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2G28,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TDK:A:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDK:B:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3LQ2,,,,,,,
,,,EPE:A:890,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,PO4:A:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:889,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDP:A:887,valid,Kd,=,5.97,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,Kd,=,5.97,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2QTC,,,,,,,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,TDK:A:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDK:B:887,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3LPL,,,,,,,
,,,EPE:A:889,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:889,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:888,Part of Protein,,,,,[Mg+2],
,,,MG:B:888,Part of Protein,,,,,[Mg+2],
,,,PO4:A:890,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:890,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDP:A:887,valid,Kd,=,2.39,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:887,valid,Kd,=,2.39,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,Family. Representative Entry is ,3EXH,,,,,,,
,,,GOL:A:1901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1902,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1903,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1904,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1905,invalid,,,,,C(C(CO)O)O,
,,,K:A:1501,Part of Protein,,,,,[K+],
,,,K:C:1501,Part of Protein,,,,,[K+],
,,,K:E:1501,Part of Protein,,,,,[K+],
,,,K:G:1501,Part of Protein,,,,,[K+],
,,,MN:A:1500,Part of Protein,,,,,[Mn+2],
,,,MN:C:1500,Part of Protein,,,,,[Mn+2],
,,,MN:E:1500,Part of Protein,,,,,[Mn+2],
,,,MN:G:1500,Part of Protein,,,,,[Mn+2],
,,,TPP:A:1502,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1502,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:1502,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:1502,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,3DVA,,,,,,,
,,,K:B:1325,Part of Protein,,,,,[K+],
,,,K:D:1325,Part of Protein,,,,,[K+],
,,,MG:A:1326,Part of Protein,,,,,[Mg+2],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,MG:E:369,Part of Protein,,,,,[Mg+2],
,,,MG:E:370,Part of Protein,,,,,[Mg+2],
,,,MG:G:369,Part of Protein,,,,,[Mg+2],
,,,TPW:A:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:C:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:E:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:G:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,3DUF,,,,,,,
,,,K:B:1325,Part of Protein,,,,,[K+],
,,,K:D:1325,Part of Protein,,,,,[K+],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,MG:D:1326,Part of Protein,,,,,[Mg+2],
,,,MG:E:1371,Part of Protein,,,,,[Mg+2],
,,,MG:G:1371,Part of Protein,,,,,[Mg+2],
,,,R1T:A:1370,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,R1T:C:1370,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,R1T:E:1370,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,R1T:G:1370,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,3DV0,,,,,,,
,,,K:B:1325,Part of Protein,,,,,[K+],
,,,K:D:1325,Part of Protein,,,,,[K+],
,,,K:F:1325,Part of Protein,,,,,[K+],
,,,K:H:1325,Part of Protein,,,,,[K+],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:B:1326,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,MG:E:1368,Part of Protein,,,,,[Mg+2],
,,,MG:G:1326,Part of Protein,,,,,[Mg+2],
,,,MG:G:1367,Part of Protein,,,,,[Mg+2],
,,,PYR:B:502,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:502,valid,,,,,CC(=O)C(=O)O,
,,,TPW:A:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:C:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:E:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:G:1370,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,Family. Representative Entry is ,1W85,,,,,,,
,,,K:B:1325,Part of Protein,,,,,[K+],
,,,K:D:1325,Part of Protein,,,,,[K+],
,,,K:F:1325,Part of Protein,,,,,[K+],
,,,K:H:1325,Part of Protein,,,,,[K+],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:B:1326,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,MG:E:1368,Part of Protein,,,,,[Mg+2],
,,,MG:F:1326,Part of Protein,,,,,[Mg+2],
,,,MG:G:1368,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1369,invalid,,,,,C(COCCO)O,
,,,PEG:C:1369,invalid,,,,,C(COCCO)O,
,,,PEG:G:1369,invalid,,,,,C(COCCO)O,
,,,TDP:A:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:E:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:G:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1W88,,,,,,,
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,MG:E:1368,Part of Protein,,,,,[Mg+2],
,,,MG:G:1368,Part of Protein,,,,,[Mg+2],
,,,TDP:A:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:E:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:G:1370,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
1.3.98.1,,,,,,,,,
,Family. Representative Entry is ,4WZH,,,,,,,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
1.13.11.40,,,,,,,,,
,Family. Representative Entry is ,4QWT,,,,,,,
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:715,Part of Protein,,,,,[Ca+2],
,,,CA:C:714,Part of Protein,,,,,[Ca+2],
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:709,invalid,,,,,C(C(CO)O)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,FE2:C:701,Part of Protein,,,,,[Fe+2],
,,,FE2:B:701,Part of Protein,,,,,[Fe+2],
,,,FE2:D:702,Part of Protein,,,,,[Fe+2],
,,,CL:D:707,invalid,,,,,[Cl-],
,,,CL:B:709,invalid,,,,,[Cl-],
,,,CL:C:712,invalid,,,,,[Cl-],
,,,CL:A:714,invalid,,,,,[Cl-],
,,,CL:C:713,invalid,,,,,[Cl-],
,,,CL:A:713,invalid,,,,,[Cl-],
,,,ACT:A:718,invalid,,,,,CC(=O)[O-],
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,ACT:D:701,invalid,,,,,CC(=O)[O-],
,,,ACT:D:705,invalid,,,,,CC(=O)[O-],
,,,ACT:D:709,invalid,,,,,CC(=O)[O-],
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:708,invalid,,,,,CC(=O)[O-],
,,,ACT:B:704,invalid,,,,,CC(=O)[O-],
,,,ACT:C:706,invalid,,,,,CC(=O)[O-],
,,,ACT:B:706,invalid,,,,,CC(=O)[O-],
,,,ACT:C:708,invalid,,,,,CC(=O)[O-],
,,,ACT:D:710,invalid,,,,,CC(=O)[O-],
,,,ACT:D:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:717,invalid,,,,,CC(=O)[O-],
,,,ACT:D:711,invalid,,,,,CC(=O)[O-],
,,,ACT:C:705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:720,invalid,,,,,CC(=O)[O-],
,,,ACT:B:705,invalid,,,,,CC(=O)[O-],
,,,ACT:C:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:706,invalid,,,,,CC(=O)[O-],
,,,ACT:B:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:C:718,invalid,,,,,CC(=O)[O-],
,,,ACT:C:707,invalid,,,,,CC(=O)[O-],
,,,ACD:C:715,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,3FG4,,,,,,,
,,,ACD:A:2001,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:2001,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:C:2001,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:D:2001,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACY:A:2201,invalid,,,,,CC(=O)O,
,,,ACY:A:2202,invalid,,,,,CC(=O)O,
,,,ACY:A:2203,invalid,,,,,CC(=O)O,
,,,ACY:A:2204,invalid,,,,,CC(=O)O,
,,,ACY:A:2205,invalid,,,,,CC(=O)O,
,,,ACY:A:2206,invalid,,,,,CC(=O)O,
,,,ACY:A:2207,invalid,,,,,CC(=O)O,
,,,ACY:B:2201,invalid,,,,,CC(=O)O,
,,,ACY:B:2202,invalid,,,,,CC(=O)O,
,,,ACY:B:2203,invalid,,,,,CC(=O)O,
,,,ACY:B:2204,invalid,,,,,CC(=O)O,
,,,ACY:C:2201,invalid,,,,,CC(=O)O,
,,,ACY:C:2202,invalid,,,,,CC(=O)O,
,,,ACY:C:2203,invalid,,,,,CC(=O)O,
,,,ACY:C:2204,invalid,,,,,CC(=O)O,
,,,ACY:C:2205,invalid,,,,,CC(=O)O,
,,,ACY:C:2206,invalid,,,,,CC(=O)O,
,,,ACY:D:2201,invalid,,,,,CC(=O)O,
,,,ACY:D:2202,invalid,,,,,CC(=O)O,
,,,ACY:D:2203,invalid,,,,,CC(=O)O,
,,,ACY:D:2204,invalid,,,,,CC(=O)O,
,,,CA:A:1067,Part of Protein,,,,,[Ca+2],
,,,CA:A:1501,Part of Protein,,,,,[Ca+2],
,,,CA:A:1502,Part of Protein,,,,,[Ca+2],
,,,CA:B:1501,Part of Protein,,,,,[Ca+2],
,,,CA:C:1067,Part of Protein,,,,,[Ca+2],
,,,CA:C:1501,Part of Protein,,,,,[Ca+2],
,,,CA:C:1502,Part of Protein,,,,,[Ca+2],
,,,CA:D:1501,Part of Protein,,,,,[Ca+2],
,,,CL:A:2401,invalid,,,,,[Cl-],
,,,CL:B:2401,invalid,,,,,[Cl-],
,,,CL:C:2401,invalid,,,,,[Cl-],
,,,CL:D:2401,invalid,,,,,[Cl-],
,,,FE2:A:1500,Part of Protein,,,,,[Fe+2],
,,,FE2:B:1500,Part of Protein,,,,,[Fe+2],
,,,FE2:C:1500,Part of Protein,,,,,[Fe+2],
,,,FE2:D:1500,Part of Protein,,,,,[Fe+2],
,,,GOL:A:1068,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1067,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2304,invalid,,,,,C(C(CO)O)O,
3.6.1.48,,,,,,,,,
,Family. Representative Entry is ,2BVN,,,,,,,
,,,ENX:A:1396,valid,,,,,CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N,
,,,ENX:B:1396,valid,,,,,CC/C=C/[C@H]([C@H]([C@@H](CC(=O)[C@H]([C@@H]([C@H](C)/C(=C/C=C/C=C(C)/C=C/C=C/C(=O)O[C@@H]1C[C@H](CC[C@@H]1O)C(=O)O)/Cl)O)O)O)Cl)OC(=O)N,
,,,GNP:A:1394,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1394,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1395,Part of Protein,,,,,[Mg+2],
,,,MG:B:1395,Part of Protein,,,,,[Mg+2],
,,1DG1,,,,,,,
,,,GDP:G:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:H:1999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:G:998,Part of Protein,,,,,[Mg+2],
,,,MG:H:998,Part of Protein,,,,,[Mg+2],
,,1EFC,,,,,,,
,,,GDP:A:513,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:514,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,6EZE,,,,,,,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GNP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1D8T,,,,,,,
,,,ACT:A:3002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3003,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3004,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3005,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3006,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3007,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3010,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3013,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3016,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3017,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3019,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3020,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3021,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3022,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3023,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3025,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3026,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3028,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3030,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3001,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3008,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3009,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3011,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3012,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3014,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3015,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3018,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3024,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3027,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3029,invalid,,,,,CC(=O)[O-],
,,,GDP:A:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:998,Part of Protein,,,,,[Mg+2],
1.2.3.1,,,,,,,,,
,Family. Representative Entry is ,3FC4,,,,,,,
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,EDO:A:910,valid,Ki,=,1.9,mM,C(CO)O,
,,,EDO:A:911,valid,Ki,=,1.9,mM,C(CO)O,
,,,EDO:A:912,valid,Ki,=,1.9,mM,C(CO)O,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MG:A:915,Part of Protein,,,,,[Mg+2],
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:919,Part of Protein,,,,,[Mg+2],
,,,PCD:A:921,invalid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,1SIJ,,,,,,,
,,,AST:A:922,invalid,,,,,[O-][As]([O-])[O-],
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:919,Part of Protein,,,,,[Mg+2],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,4C7Y,,,,,,,
,,,MG:A:919,Part of Protein,,,,,[Mg+2],
,,,MG:A:917,invalid,,,,,[Mg+2],
,,,MG:A:916,invalid,,,,,[Mg+2],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,BCT:A:915,invalid,,,,,C(=O)(O)[O-],
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,PEO:A:922,invalid,,,,,OO,
,,,IPA:A:914,invalid,,,,,CC(C)O,
,,4US9,,,,,,,
,,,MG:A:915,invalid,,,,,[Mg+2],
,,,MG:A:918,invalid,,,,,[Mg+2],
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:916,invalid,,,,,[Mg+2],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,BCT:A:913,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:914,invalid,,,,,C(=O)(O)[O-],
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,3PL:A:912,invalid,,,,,c1ccc(cc1)CCC=O,
,,4USA,,,,,,,
,,,MG:A:915,Part of Protein,,,,,[Mg+2],
,,,MG:A:918,invalid,,,,,[Mg+2],
,,,MG:A:917,invalid,,,,,[Mg+2],
,,,MG:A:916,invalid,,,,,[Mg+2],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,BCT:A:914,invalid,,,,,C(=O)(O)[O-],
,,,IPA:A:913,invalid,,,,,CC(C)O,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,HCI:A:922,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,3FAH,,,,,,,
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:910,valid,Ki,=,26.8,mM,C(C(CO)O)O,
,,,GOL:A:911,valid,Ki,=,26.8,mM,C(C(CO)O)O,
,,,GOL:A:912,valid,Ki,=,26.8,mM,C(C(CO)O)O,
,,,MG:A:915,Part of Protein,,,,,[Mg+2],
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:919,Part of Protein,,,,,[Mg+2],
,,,PCD:A:921,invalid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,4US8,,,,,,,
,,,MG:A:915,invalid,,,,,[Mg+2],
,,,MG:A:918,invalid,,,,,[Mg+2],
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:916,invalid,,,,,[Mg+2],
,,,PGE:A:912,invalid,,,,,C(COCCOCCO)O,
,,,HBX:A:924,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:A:925,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:A:923,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:A:922,valid,,,,,c1ccc(cc1)C=O,
,,,BCT:A:914,invalid,,,,,C(=O)(O)[O-],
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,IPA:A:913,invalid,,,,,CC(C)O,
,,4C7Z,,,,,,,
,,,IPA:A:1910,invalid,,,,,CC(C)O,
,,,MG:A:918,invalid,,,,,[Mg+2],
,,,MG:A:1912,Part of Protein,,,,,[Mg+2],
,,,MG:A:920,invalid,,,,,[Mg+2],
,,,PEO:A:1916,invalid,,,,,OO,
,,,FES:A:1909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PCD:A:1915,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,CL:A:1913,invalid,,,,,[Cl-],
,,,CL:A:1914,invalid,,,,,[Cl-],
,,,BCT:A:1911,invalid,,,,,C(=O)(O)[O-],
,,4C80,,,,,,,
,,,MG:A:915,Part of Protein,,,,,[Mg+2],
,,,MG:A:917,invalid,,,,,[Mg+2],
,,,MG:A:916,invalid,,,,,[Mg+2],
,,,NA:A:914,invalid,,,,,[Na+],
,,,NA:A:913,Part of Protein,,,,,[Na+],
,,,PCD PEO:A:921,valid,,,,,P(=O)(OP(=O)(OCC1OC2NC=3N=C(N)NC(=O)C=3NC2C=2S[Mo-4]3(O)(O)(SC1=2)OO3)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=N)C=C2)O1)[O-],
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IPA:A:911,invalid,,,,,CC(C)O,
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,BCT:A:912,invalid,,,,,C(=O)(O)[O-],
,,1VLB,,,,,,,
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IPA:A:914,invalid,,,,,CC(C)O,
,,,IPA:A:915,invalid,,,,,CC(C)O,
,,,MG:A:917,Part of Protein,,,,,[Mg+2],
,,,MG:A:919,Part of Protein,,,,,[Mg+2],
,,,PCD:A:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,3L4P,,,,,,,
,,,AST:A:932,invalid,,,,,[O-][As]([O-])[O-],
,,,CA:A:1457,Part of Protein,,,,,[Ca+2],
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:917,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:921,invalid,,,,,[Cl-],
,,,CL:A:923,invalid,,,,,[Cl-],
,,,CL:A:925,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,FES:A:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IPA:A:933,invalid,,,,,CC(C)O,
,,,IPA:A:934,invalid,,,,,CC(C)O,
,,,IPA:A:935,invalid,,,,,CC(C)O,
,,,LI:A:915,Part of Protein,,,,,[Li+],
,,,MG:A:910,Part of Protein,,,,,[Mg+2],
,,,MG:A:911,Part of Protein,,,,,[Mg+2],
,,,MG:A:912,Part of Protein,,,,,[Mg+2],
,,,MG:A:913,Part of Protein,,,,,[Mg+2],
,,,MG:A:914,Part of Protein,,,,,[Mg+2],
,,,PCD:A:931,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,URE:A:926,invalid,,,,,C(=O)(N)N,
3.4.22.59,,,,,,,,,
,Family. Representative Entry is ,4HVA,,,,,,,
,,,PHQ VAL GLU ILE 4H0:C:1,invalid,,,,,,
,,,PHQ VAL GLU ILE 4H0:D:1,invalid,,,,,,
,,,4HV:A:401,valid,Kd,=,1.3,uM,COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO,
,,,4HV:B:401,valid,Kd,=,1.3,uM,COc1ccc(cc1OC)c2cc(co2)C(=O)N[C@H](Cc3cccc(c3)C#N)CO,
,,4N6G,,,,,,,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2GQ:B:401,valid,,,,,c1ccc2c(c1)C=C(NC2=O)N3CCCC3,
,,4NBL,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2J6:A:401,valid,Kd,=,0.47,uM,c1cc(c(nc1)NCc2ccc(cc2O)F)c3ncccn3,
,,3S70,,,,,,,
,,,ACE VAL GLU ILE ASA:B:0,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)CCC(=O)[O-])C(CC)C,
,,,ACE VAL GLU ILE ASA:D:0,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)CCC(=O)[O-])C(CC)C,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,CAC:A:2,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:3,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:6,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:7,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:1,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:4,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:5,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:8,invalid,,,,,C[As](=O)(C)[O-],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,4N7M,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2GQ:A:401,valid,Kd,=,3.4,uM,c1ccc2c(c1)C=C(NC2=O)N3CCCC3,
,,4NBN,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2J7:B:401,valid,Kd,=,44,uM,c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O,
,,4N7J,,,,,,,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2GQ:B:401,valid,,,,,c1ccc2c(c1)C=C(NC2=O)N3CCCC3,
,,4N5D,,,,,,,
,,,MPD:B:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2FQ:A:401,valid,Kd,=,607,uM,Cc1ncc2c(n1)N(C(=O)C(=C2)N)C,
,,4NBK,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2J5:A:401,valid,Kd,=,136,uM,Cc1cccnc1NCc2ccccc2O,
2.7.2.3,,,,,,,,,
,Family. Representative Entry is ,16PK,,,,,,,
,,,BIS:A:499,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F)(F)P(=O)(O)O)(F)F)O)O)O)N,
,,,EPE:A:430,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,13PK,,,,,,,
,,,3PG:A:423,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:423,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ADP:A:421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:422,Part of Protein,,,,,[Mg+2],
,,,MG:B:422,Part of Protein,,,,,[Mg+2],
,,,MG:C:422,Part of Protein,,,,,[Mg+2],
,,,MG:D:422,Part of Protein,,,,,[Mg+2],
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:624,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:625,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1QPG,,,,,,,
,,,3PG:A:451,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,MAP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O[Mg])O[P@](=O)(NP(=O)(O)O)O)O)O)N,
,,3PGK,,,,,,,
,,,3PG:A:418,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ATP:A:417,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:416,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2CUN,,,,,,,
,,,3PG:A:503,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:504,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:508,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:509,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:507,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,4O33,,,,,,,
,,,TZN:A:501,valid,Kd,=,2.78,uM,COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4,
,,,3PG:A:502,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,5O7D,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2WZC,,,,,,,
,,,ALF ADP 3PG:A:1419,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[AlH0+9](F)(F)(F)(F)OC(=O)C(O)COP(=O)([O-])[O-])[O-],
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,MG:A:1417,Part of Protein,,,,,[Mg+2],
,,5M3U,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,3PG:A:502,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,1HDI,,,,,,,
,,,3PG:A:419,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,AMP:A:417,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:418,Part of Protein,,,,,[Mg+2],
,,2XE7,,,,,,,
,,,3PG:A:1417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ADP:A:1418,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3C3B,,,,,,,
,,,CDP:B:418,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PO4:A:417,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:417,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4O3F,,,,,,,
,,,TZN:A:501,valid,Kd,=,2.78,uM,COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)[C@H]4CCCO4,
,,,3PG:A:502,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,3C3A,,,,,,,
,,,3PG:A:417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:418,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ADP:B:419,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:417,invalid,,,,,[Mg+2],
,,1KF0,,,,,,,
,,,3PG:A:417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ACP:A:418,valid,Kd,=,2.8,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:518,Part of Protein,,,,,[Mg+2],
,,5M1R,,,,,,,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2ZGV,,,,,,,
,,,ADP:A:417,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2WZB,,,,,,,
,,,3PG:A:1420,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ADP:A:1419,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,MG:A:1417,Part of Protein,,,,,[Mg+2],
,,,MGF:A:1421,invalid,,,,,F[Mg-](F)F,
,,1VJD,,,,,,,
,,,ATP:A:417,valid,Kd,=,0.286,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:418,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3C3C,,,,,,,
,,,3PG:A:418,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,CDP:A:419,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,,5MXM,,,,,,,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ADP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,3PG:A:502,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,1VJC,,,,,,,
,,,ATP:A:417,valid,Kd,=,0.263,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:418,invalid,,,,,[Mg+2],
,,2WZD,,,,,,,
,,,AF3 ADP 3PG:A:1419,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)OC(=O)C(O)COP(=O)([O-])[O-])[O-],
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,MG:A:1417,Part of Protein,,,,,[Mg+2],
,,3C39,,,,,,,
,,,3PG:A:417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,2XE8,,,,,,,
,,,3PG:A:1417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ACP:A:1418,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,2YBE,,,,,,,
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,LA8 ALF 3PG:A:1419,valid,,,,,,
,,,MG:A:1417,Part of Protein,,,,,[Mg+2],
,,2XE6,,,,,,,
,,,3PG:A:1417,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,5M6Z,,,,,,,
,,,3PG:A:501,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,ADP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2P9T,,,,,,,
,,,3PG:A:500,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6HXE,,,,,,,
,,,3PG:A:4000,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1VPE,,,,,,,
,,,3PG:A:401,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1PHP,,,,,,,
,,,ADP:A:396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3ZLB,,,,,,,
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1399,Part of Protein,,,,,[Mg+2],
,,,MG:A:1406,invalid,,,,,[Mg+2],
,,,MG:A:1407,invalid,,,,,[Mg+2],
,,,MG:A:1400,Part of Protein,,,,,[Mg+2],
,,,ANP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
2.1.1.300,,,,,,,,,
,Family. Representative Entry is ,5KOK,,,,,,,
,,,R9T:A:403,valid,,,,,COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC,
,,,R9T:B:403,valid,,,,,COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)OC,
,,,S9T:B:402,valid,,,,,COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC,
,,,S9T:A:402,valid,,,,,COc1ccc(cc1OC)C[C@H]2c3cc(c(cc3CCN2)OC)OC,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5KPC,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5KPG,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5KOC,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
4.4.1.-,,,,,,,,,
,Family. Representative Entry is ,1ELU,,,,,,,
,,,CSS:A:2001,valid,,,,,C([C@@H](C(=O)O)N)SS,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,PDA:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:B:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,1N2T,,,,,,,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,PLP GLY:A:3001,valid,,,,,P(=O)(OCC1=C(C=NCC(=O)[O-])C(=O)C(C)=NC1)([O-])[O-],
,,,PLP GLY:B:2001,valid,,,,,P(=O)(OCC1=C(C=NCC(=O)[O-])C(=O)C(C)=NC1)([O-])[O-],
,,1N31,,,,,,,
,,,CYS:A:2003,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:3003,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,PLP CYS:A:2001,valid,,,,,SCC([NH2+]Cc1c(O)c(C)ncc1COP(=O)([O-])[O-])C(=O)[O-],
,,,PLP CYS:B:3001,valid,,,,,SCC([NH2+]Cc1c(O)c(C)ncc1COP(=O)([O-])[O-])C(=O)[O-],
2.1.1.37,,,,,,,,,
,Family. Representative Entry is ,3PT9,,,,,,,
,,,SAH:A:1603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1G55,,,,,,,
,,,BME:A:395,invalid,,,,,C(CS)O,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:399,invalid,,,,,[O-]S(=O)(=O)[O-],
6.3.2.17,,,,,,,,,
,Family. Representative Entry is ,1JBW,,,,,,,
,,,ACQ:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,TMF:A:996,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N,
,,1JBV,,,,,,,
,,,ACP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VOS,,,,,,,
,,,ADP:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:1492,Part of Protein,,,,,[Co+2],
,,,CO:A:1493,Part of Protein,,,,,[Co+2],
,,,CO:A:1494,Part of Protein,,,,,[Co+2],
,,,CO:A:1495,Part of Protein,,,,,[Co+2],
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1491,Part of Protein,,,,,[Mg+2],
,,2VOR,,,,,,,
,,,ACP:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CO:A:1491,Part of Protein,,,,,[Co+2],
,,,CO:A:1492,Part of Protein,,,,,[Co+2],
,,,CO:A:1493,Part of Protein,,,,,[Co+2],
,,,CO:A:1494,Part of Protein,,,,,[Co+2],
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
4.2.2.7,,,,,,,,,
,Family. Representative Entry is ,3ILR,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:380,invalid,,,,,C(CO)O,
,,,EDO:A:381,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,SGN IXD:C:1,valid,,,,,,
,,,IXD SGN:B:1,valid,,,,,,
,,3INA,,,,,,,
,,,CA:A:379,Part of Protein,,,,,[Ca+2],
,,,IDS SGN IDS SGN IDS SUS IDS SGN:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(O)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(OC5C(O)C(NS(=O)(=O)[O-])C(OC6C(O)C(OS(=O)(=O)[O-])C(O)OC6C(=O)[O-])OC5COS(=O)(=O)[O-])OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,3IN9,,,,,,,
,,,CA:A:379,Part of Protein,,,,,[Ca+2],
,,,SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,,SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
3.5.1.14,,,,,,,,,
,Family. Representative Entry is ,1Q7L,,,,,,,
,,,GLY:C:901,valid,,,,,C(C(=O)O)N,
,,,GLY:C:902,valid,,,,,C(C(=O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1011,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1012,Part of Protein,,,,,[Zn+2],
2.4.1.18,,,,,,,,,
,Family. Representative Entry is ,5E70,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:F:5,valid,Kd,=,160,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:E:1,valid,Kd,=,160,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:H:1,valid,Kd,=,160,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:G:1,valid,Kd,=,160,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:I:1,valid,Kd,=,160,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5E6Z,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC:I:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:J:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,4LPC,,,,,,,
,,,GOL:B:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,BGC GLC:J:1,valid,,,,,,
,,,BGC GLC:N:1,valid,,,,,,
,,,BGC GLC:H:1,valid,,,,,,
,,,BGC GLC:O:1,valid,,,,,,
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:M:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:L:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,BGC:B:810,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC GLC GLC GLC GLC GLC GLC:I:1,valid,,,,,,
,Family. Representative Entry is ,5GQX,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,MG:A:842,Part of Protein,,,,,[Mg+2],
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GOL:A:840,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:841,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3VU2,,,,,,,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,BGC:B:802,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:801,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:802,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:801,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
3.1.4.12,,,,,,,,,
,Family. Representative Entry is ,7CNE,,,,,,,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,EPE:A:401,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,5I85,,,,,,,
,,,ZN:A:715,Part of Protein,,,,,[Zn+2],
,,,ZN:A:714,Part of Protein,,,,,[Zn+2],
,,,SO4:A:721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:725,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:726,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:723,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:724,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,PC:A:727,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:711,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
1.1.1.22,,,,,,,,,
,Family. Representative Entry is ,4EDF,,,,,,,
,,,UPG:A:501,valid,Kd,=,33,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:501,valid,Kd,=,33,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:501,valid,Kd,=,33,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:501,valid,Kd,=,33,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2Q3E,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,CL:B:3009,invalid,,,,,[Cl-],
,,,CL:C:3005,invalid,,,,,[Cl-],
,,,CL:D:3006,invalid,,,,,[Cl-],
,,,CL:E:3011,invalid,,,,,[Cl-],
,,,CL:F:3004,invalid,,,,,[Cl-],
,,,CL:G:3002,invalid,,,,,[Cl-],
,,,CL:H:3010,invalid,,,,,[Cl-],
,,,CL:I:3003,invalid,,,,,[Cl-],
,,,CL:J:3012,invalid,,,,,[Cl-],
,,,CL:K:3008,invalid,,,,,[Cl-],
,,,CL:L:3007,invalid,,,,,[Cl-],
,,,UPG:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:E:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:F:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:G:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:H:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:I:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:J:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:K:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:L:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:I:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:J:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:K:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:L:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5TJH,,,,,,,
,,,CL:D:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,POP:A:501,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:E:501,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:501,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:501,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:F:501,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,UPG:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2QG4,,,,,,,
,,,CL:B:4002,invalid,,,,,[Cl-],
,,,CL:B:4005,invalid,,,,,[Cl-],
,,,CL:D:4001,invalid,,,,,[Cl-],
,,,CL:D:4006,invalid,,,,,[Cl-],
,,,CL:F:4003,invalid,,,,,[Cl-],
,,,CL:F:4007,invalid,,,,,[Cl-],
,,,CL:H:4004,invalid,,,,,[Cl-],
,,,CL:H:4008,invalid,,,,,[Cl-],
,,,EDO:B:5001,invalid,,,,,C(CO)O,
,,,EDO:C:5002,invalid,,,,,C(CO)O,
,,,EDO:F:5003,invalid,,,,,C(CO)O,
,,,EDO:G:5004,invalid,,,,,C(CO)O,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UGA:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:D:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:E:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:F:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:G:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:H:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,3KHU,,,,,,,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:E:603,invalid,,,,,C(CO)O,
,,,EDO:E:605,invalid,,,,,C(CO)O,
,,,EDO:E:606,invalid,,,,,C(CO)O,
,,,EDO:E:610,invalid,,,,,C(CO)O,
,,,EDO:E:613,invalid,,,,,C(CO)O,
,,,EDO:E:617,invalid,,,,,C(CO)O,
,,,EPE:D:618,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,UPG:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:E:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:E:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:F:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:F:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3PTZ,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDX:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:B:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:C:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:D:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:E:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:F:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,Family. Representative Entry is ,1DLJ,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UGA:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,1DLI,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDX:A:404,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,Family. Representative Entry is ,3VTF,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,UPG:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,3PLN,,,,,,,
,,,U5P:A:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3PLR,,,,,,,
,,,NAI:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,U5P:A:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,6OM8,,,,,,,
,,,UDX:G:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:L:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:L:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:K:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:E:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:I:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:B:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:H:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:K:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:D:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:C:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:B:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:F:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:D:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:E:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:F:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:H:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:C:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:J:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:G:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:A:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:J:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,UDX:I:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,Family. Representative Entry is ,2Y0E,,,,,,,
,,,ACT:A:1463,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1463,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1461,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1462,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1464,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1465,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1466,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1462,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1463,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1463,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UGA:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:D:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,2Y0C,,,,,,,
,,,ACT:A:521,invalid,,,,,CC(=O)[O-],
,,,ACT:B:521,invalid,,,,,CC(=O)[O-],
,,,ACT:C:521,invalid,,,,,CC(=O)[O-],
,,,ACT:D:521,invalid,,,,,CC(=O)[O-],
,,,ACT:D:522,invalid,,,,,CC(=O)[O-],
,,,GOL:A:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:532,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:532,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:541,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UGA:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:D:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
3.1.5.-,,,,,,,,,
,Family. Representative Entry is ,6XU1,,,,,,,
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:F:704,invalid,,,,,[Mg+2],
,,,MG:F:703,invalid,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:H:704,invalid,,,,,[Mg+2],
,,,MG:G:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:H:705,invalid,,,,,[Mg+2],
,,,MG:E:703,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,MG:H:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:705,invalid,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:E:704,invalid,,,,,[Mg+2],
,,,MG:G:704,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:E:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:708,invalid,,,,,[Mg+2],
,,,MG:G:705,invalid,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,FE:E:701,Part of Protein,,,,,[Fe+3],
,,,FE:G:702,Part of Protein,,,,,[Fe+3],
,,,FE:D:702,Part of Protein,,,,,[Fe+3],
,,,FE:B:701,Part of Protein,,,,,[Fe+3],
,,,FE:F:701,Part of Protein,,,,,[Fe+3],
,,,FE:A:701,Part of Protein,,,,,[Fe+3],
,,,FE:C:702,Part of Protein,,,,,[Fe+3],
,,,FE:H:702,Part of Protein,,,,,[Fe+3],
,,,DZ4:F:706,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:C:706,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:A:705,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:F:705,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:E:708,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:D:701,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:C:708,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:G:706,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:H:701,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:C:701,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:B:705,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:H:706,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:D:706,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:A:707,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:E:705,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:G:701,valid,Ki,=,0.78,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GTP:H:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:G:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4QFX,,,,,,,
,,,DGT:C:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:707,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:C:706,invalid,,,,,[Mg+2],
,,6TXF,,,,,,,
,,,MN:B:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,invalid,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:B:705,invalid,,,,,[Mn+2],
,,,MN:A:704,invalid,,,,,[Mn+2],
,,,MN:B:704,invalid,,,,,[Mn+2],
,,,FE:B:702,Part of Protein,,,,,[Fe+3],
,,,FE:A:701,Part of Protein,,,,,[Fe+3],
,,,DZ4:A:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:B:706,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:A:707,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CZF:B:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,CZF:A:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,
,,6DW4,,,,,,,
,,,HF7:A:705,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:D:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:D:702,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:A:703,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:C:704,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:C:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:B:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,HF7:B:703,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N,
,,,NA:C:707,Part of Protein,,,,,[Na+],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6TX0,,,,,,,
,,,MG:B:705,invalid,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,FE:B:702,Part of Protein,,,,,[Fe+3],
,,,FE:A:701,Part of Protein,,,,,[Fe+3],
,,,DZ4:A:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:B:706,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DZ4:A:707,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CZF:B:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,CZF:A:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=O)NC2=O,
,,4BZB,,,,,,,
,,,DGT:B:700,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:900,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:900,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:700,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:700,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:900,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:700,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:900,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,4TO6,,,,,,,
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,DGT:C:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DTP:B:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,TTP:D:703,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,4RXQ,,,,,,,
,,,DUT:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:803,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:802,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,GTP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:805,invalid,,,,,[Mg+2],
,,,MG:B:701,invalid,,,,,[Mg+2],
,,6DW7,,,,,,,
,,,GTP:D:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:D:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,NA:C:706,Part of Protein,,,,,[Na+],
,,4QFY,,,,,,,
,,,DGT:C:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DCP:C:704,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:C:706,invalid,,,,,[Mg+2],
,,4MZ7,,,,,,,
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:801,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:804,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:B:802,invalid,,,,,[Mg+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,DTP:B:805,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,4TNX,,,,,,,
,,,DGT:C:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:C:701,invalid,,,,,[Mg+2],
,,,MG:B:702,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,3PO:A:705,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,4RXP,,,,,,,
,,,MG:B:802,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,DTP:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4QG4,,,,,,,
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,,ZN:C:703,Part of Protein,,,,,[Zn+2],
,,,ZN:D:703,Part of Protein,,,,,[Zn+2],
,,,ZN:B:705,Part of Protein,,,,,[Zn+2],
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:D:702,invalid,,,,,[Mg+2],
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4TO4,,,,,,,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:B:702,invalid,,,,,[Mg+2],
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:706,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DCP:C:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,GTP:B:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6DWD,,,,,,,
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,invalid,,,,,[Mg+2],
,,,MG:C:707,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,MG:C:706,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,GLY:A:717,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:716,invalid,,,,,C(C(=O)O)N,
,,,GLY:D:713,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:715,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:712,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:713,invalid,,,,,C(C(=O)O)N,
,,,NA:C:710,Part of Protein,,,,,[Na+],
,,,NA:D:710,Part of Protein,,,,,[Na+],
,,,NA:A:711,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:D:711,invalid,,,,,[Na+],
,,,NA:D:708,Part of Protein,,,,,[Na+],
,,,NA:A:713,Part of Protein,,,,,[Na+],
,,,NA:C:709,Part of Protein,,,,,[Na+],
,,,NA:C:708,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:A:712,Part of Protein,,,,,[Na+],
,,,NA:D:709,Part of Protein,,,,,[Na+],
,,,NA:C:711,Part of Protein,,,,,[Na+],
,,,NA:A:714,Part of Protein,,,,,[Na+],
,,,NA:B:708,invalid,,,,,[Na+],
,,,NA:D:707,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:D:712,invalid,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,HDV:B:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:D:703,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:D:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:C:701,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:B:702,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:C:704,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:A:704,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,HDV:A:702,valid,,,,,Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N,
,,,GTP:D:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SIN:B:710,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:714,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,PO4:C:714,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TCE:A:718,invalid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,6DW5,,,,,,,
,,,NA:C:707,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:C:706,Part of Protein,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,MG:A:707,Part of Protein,,,,,[Mg+2],
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,invalid,,,,,[Mg+2],
,,,MG:D:705,Part of Protein,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,MG:A:708,Part of Protein,,,,,[Mg+2],
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GTF:A:701,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F,
,,,GTF:C:705,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F,
,,,GTF:B:701,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F,
,,,GTF:D:702,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F,
,,,NI:C:701,Part of Protein,,,,,[Ni+2],
,,4ZWG,,,,,,,
,,,MG  GTP DTP:C:702,invalid,,,,,,
,,,MG  GTP DTP:A:705,invalid,,,,,,
,,,DTP:D:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP MG  GTP:A:703,invalid,,,,,,
,,,DTP GTP MG :C:701,invalid,,,,,,
,,4TNZ,,,,,,,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,GTP:B:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DTP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,TTP:C:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:703,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,4RXR,,,,,,,
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:B:805,invalid,,,,,[Mg+2],
,,,GTP:B:803,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DCP:B:802,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:804,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,4RXS,,,,,,,
,,,TTP:A:802,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:703,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:803,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,GTP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:805,invalid,,,,,[Mg+2],
,,,MG:B:701,invalid,,,,,[Mg+2],
,,4TO2,,,,,,,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:C:703,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,MG:B:702,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,TTP:C:704,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:706,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,6CM2,,,,,,,
,,,F6G:C:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:D:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:B:704,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:D:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:C:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,F6G:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,GTP:B:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:B:702,invalid,,,,,[Mg+2],
,,6DWJ,,,,,,,
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:C:703,invalid,,,,,[Mg+2],
,,,MG:D:706,invalid,,,,,[Mg+2],
,,,MG:B:705,invalid,,,,,[Mg+2],
,,,MG:D:707,Part of Protein,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,DTP:C:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,NA:C:707,Part of Protein,,,,,[Na+],
,,,NA:D:710,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:D:711,invalid,,,,,[Na+],
,,,NA:D:708,Part of Protein,,,,,[Na+],
,,,NA:C:709,Part of Protein,,,,,[Na+],
,,,NA:C:708,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:C:706,Part of Protein,,,,,[Na+],
,,,NA:D:709,Part of Protein,,,,,[Na+],
,,,NA:B:708,Part of Protein,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:B:709,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,HEJ:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,HEJ:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,HEJ:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,HEJ:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,GTP:D:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:B:711,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6DW3,,,,,,,
,,,HF4:C:701,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,HF4:B:703,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,HF4:D:701,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,HF4:A:705,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,GTP:D:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,MG:D:705,invalid,,,,,[Mg+2],
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,4TO3,,,,,,,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:B:702,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,DGT:A:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:705,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:705,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:704,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DCP:C:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,6DWK,,,,,,,
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:710,invalid,,,,,[Mg+2],
,,,MG:C:703,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,MG:B:710,invalid,,,,,[Mg+2],
,,,MG:C:709,Part of Protein,,,,,[Mg+2],
,,,GLY:D:714,invalid,,,,,C(C(=O)O)N,
,,,GLY:D:715,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:714,invalid,,,,,C(C(=O)O)N,
,,,GLY:D:712,invalid,,,,,C(C(=O)O)N,
,,,GLY:D:713,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:715,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:712,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:711,invalid,,,,,C(C(=O)O)N,
,,,GLY:C:713,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:712,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:711,invalid,,,,,C(C(=O)O)N,
,,,NA:D:704,Part of Protein,,,,,[Na+],
,,,NA:C:707,Part of Protein,,,,,[Na+],
,,,NA:C:701,Part of Protein,,,,,[Na+],
,,,NA:D:705,Part of Protein,,,,,[Na+],
,,,NA:A:711,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:D:708,invalid,,,,,[Na+],
,,,NA:A:713,Part of Protein,,,,,[Na+],
,,,NA:C:708,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:C:706,Part of Protein,,,,,[Na+],
,,,NA:A:712,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,NA:D:709,Part of Protein,,,,,[Na+],
,,,NA:D:706,Part of Protein,,,,,[Na+],
,,,NA:B:708,Part of Protein,,,,,[Na+],
,,,NA:D:707,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:B:709,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,GTP:C:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HFD:C:704,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,HFD:D:703,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,HFD:A:701,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,HFD:B:701,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,TRS:B:714,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:713,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PO4:D:716,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4QG0,,,,,,,
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:705,invalid,,,,,[Mg+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,DUT:C:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:C:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,4TO0,,,,,,,
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DCP:D:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:C:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DTP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,4QG2,,,,,,,
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,GTP:D:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,4QG1,,,,,,,
,,,DTP:C:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GTP:D:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:704,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:D:705,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,4TNP,,,,,,,
,,,MG:D:701,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:C:701,invalid,,,,,[Mg+2],
,,,DCP:D:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:704,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:C:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,GTP:D:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4QFZ,,,,,,,
,,,DGT:C:703,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:702,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,TTP:C:704,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:703,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:703,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:A:705,invalid,,,,,[Mg+2],
,,,MG:D:706,invalid,,,,,[Mg+2],
,,,MG:C:705,invalid,,,,,[Mg+2],
,,,MG:D:705,invalid,,,,,[Mg+2],
,,,MG:C:706,invalid,,,,,[Mg+2],
6.1.1.3,,,,,,,,,
,Family. Representative Entry is ,4HWS,,,,,,,
,,,1B3:A:702,valid,Ki,=,0.8,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O,
,,,1B3:B:702,valid,Ki,=,0.8,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)nc(nc3N)Cl)N)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,4P3P,,,,,,,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,2CR:A:702,valid,Ki,=,4,nM,C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C,
,,,2CR:B:702,valid,Ki,=,4,nM,C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C/C=C/C[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C,
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,7CBI,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,FQU:B:703,valid,,,,,C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O,
,,,FQU:A:702,valid,,,,,C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,6L2Q,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,E4O:A:702,valid,Kd,=,1.36,uM,C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O,
,,,E4O:B:702,valid,Kd,=,1.36,uM,C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)N)O,
,,7CBH,,,,,,,
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,FQR:A:701,valid,,,,,C[C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Br)N)O,
,,7CBG,,,,,,,
,,,FQL:A:701,valid,ic50,=,0.5,uM,C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O,
,,,FQL:B:701,valid,ic50,=,0.5,uM,C[C@H]([C@@H](C(=O)NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O,
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,4HWP,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,X16:A:702,valid,Ki,=,17.2,nM,Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N,
,,,X16:B:702,valid,Ki,=,17.2,nM,Cc1nc2cc(ccc2c(n1)N)c3cccc(c3)S(=O)(=O)NC(=O)[C@H]([C@@H](C)O)N,
,,4HWO,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,409:A:702,valid,Ki,=,2.9,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O,
,,,409:B:702,valid,Ki,=,2.9,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)ncnc3N)N)O,
,,4HWR,,,,,,,
,,,1B2:A:702,valid,Ki,=,182,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O,
,,,1B2:B:702,valid,Ki,=,182,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,1EVL,,,,,,,
,,,TSB:A:2002,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,TSB:B:3002,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,TSB:C:4002,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,TSB:D:5002,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,1FYF,,,,,,,
,,,SSA:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,SSA:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,ZN:A:650,Part of Protein,,,,,[Zn+2],
,,,ZN:B:650,Part of Protein,,,,,[Zn+2],
,,1EVK,,,,,,,
,,,THR:B:801,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1TKE,,,,,,,
,,,SER:A:500,valid,,,,,C([C@@H](C(=O)O)N)O,
,,1TKY,,,,,,,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,1TKG,,,,,,,
,,,SSA:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,Family. Representative Entry is ,4RR7,,,,,,,
,,,A3S:A:201,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,4RRK,,,,,,,
,,,A3T:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,4RRH,,,,,,,
,,,A3S:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,4RR8,,,,,,,
,,,A3S:A:201,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,4RRD,,,,,,,
,,,A3T:A:501,valid,Kd,=,13.4,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,4RRC,,,,,,,
,,,A3T:A:500,valid,Kd,=,13.4,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,4RRL,,,,,,,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,4RR9,,,,,,,
,,,A3S:A:201,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,4RR6,,,,,,,
,,,A3S:A:500,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,4RRA,,,,,,,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,A3T:A:201,valid,Kd,=,13.4,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,4RRB,,,,,,,
,,,A3T:A:500,valid,Kd,=,13.4,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,4RRI,,,,,,,
,,,A3T:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,4RRJ,,,,,,,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,4RRM,,,,,,,
,,,A3T:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,CL:A:503,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3PD2,,,,,,,
,,,A3S:A:500,valid,Kd,=,3.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:B:501,valid,Kd,=,3.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,2HL0,,,,,,,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,2HKZ,,,,,,,
,,,SER:A:201,valid,,,,,C([C@@H](C(=O)O)N)O,
,,4RRQ,,,,,,,
,,,A3S:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,4RRR,,,,,,,
,,,A3T:B:201,valid,,,,,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,A3T:A:201,valid,,,,,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,3PD4,,,,,,,
,,,A3G:A:500,valid,Kd,=,33.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,,A3G:B:501,valid,Kd,=,33.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N,
,,2HL1,,,,,,,
,,,A3S:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,3PD3,,,,,,,
,,,A3T:A:148,valid,Kd,=,36.2,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,A3T:B:148,valid,Kd,=,36.2,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,3PD5,,,,,,,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,TSB:A:501,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,TSB:B:502,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,Family. Representative Entry is ,4RRG,,,,,,,
,,,A3T:A:501,valid,Kd,=,1538.5,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,A3T:B:201,valid,Kd,=,1538.5,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,,A3T:C:201,valid,Kd,=,1538.5,uM,C[C@H]([C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)CO)N)O,
,,4RRF,,,,,,,
,,,MG:C:202,invalid,,,,,[Mg+2],
,,,MG:D:202,invalid,,,,,[Mg+2],
,,,A3S:C:201,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:D:201,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:E:201,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:F:201,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:A:501,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,A3S:B:201,valid,Kd,=,239.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CO)N)O)N,
,,,CL:A:502,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3UH0,,,,,,,
,,,SO4:A:463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSB:A:1002,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4HWT,,,,,,,
,,,1B2:A:802,valid,Ki,>,50000,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O,
,,,1B2:B:802,valid,Ki,>,50000,nM,C[C@H]([C@@H](C(=O)NS(=O)(=O)c1cccc(c1)c2ccc3c(c2)c[nH]n3)N)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
4.1.1.20,,,,,,,,,
,Family. Representative Entry is ,1TUF,,,,,,,
,,,AZ1:A:502,valid,Ki,=,89,uM,C(CCCC(=O)O)CCCC(=O)O,
,,,AZ1:B:503,valid,Ki,=,89,uM,C(CCCC(=O)O)CCCC(=O)O,
,,1TWI,,,,,,,
,,,LYS:D:1601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:1602,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:1603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:1604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:1605,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:1606,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,MG:C:1607,invalid,,,,,[Mg+2],
,,,PLP:A:1501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1KO0,,,,,,,
,,,DLY:A:542,valid,,,,,C(CCN)C[C@H](C(=O)O)N,
,,,LYS:A:541,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,PLP:A:540,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
6.1.-.-,,,,,,,,,
,Family. Representative Entry is ,4RDH,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4D79,,,,,,,
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,K:D:301,Part of Protein,,,,,[K+],
,,,K:C:301,Part of Protein,,,,,[K+],
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:A:301,Part of Protein,,,,,[K+],
,,,ATP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4YED,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,4D7A,,,,,,,
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,K:D:301,Part of Protein,,,,,[K+],
,,,K:C:301,Part of Protein,,,,,[K+],
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:A:301,Part of Protein,,,,,[K+],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4RDI,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
2.1.1.43,,,,,,,,,
,Family. Representative Entry is ,6U9N,,,,,,,
,,,ZN:B:4002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4002,Part of Protein,,,,,[Zn+2],
,,,Q34:B:4001,valid,ic50,=,55.6,nM,c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl,
,,,Q34:A:4001,valid,ic50,=,55.6,nM,c1cc(ccc1CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)Cl,
,,6U9M,,,,,,,
,,,Q2M:B:4003,valid,ic50,=,66.5,nM,c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,Q2M:A:4002,valid,ic50,=,66.5,nM,c1cc(sc1)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,ZN:A:4001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4001,Part of Protein,,,,,[Zn+2],
,,,GOL:B:4002,invalid,,,,,C(C(CO)O)O,
,,6U9K,,,,,,,
,,,Q2V:B:4003,valid,ic50,=,138.4,nM,c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6,
,,,Q2V:A:4002,valid,ic50,=,138.4,nM,c1ccc(cc1)C(CCN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)c6ccccc6,
,,,ZN:A:4001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4001,Part of Protein,,,,,[Zn+2],
,,,GOL:B:4002,invalid,,,,,C(C(CO)O)O,
,,6U9R,,,,,,,
,,,Q2P:B:4002,valid,ic50,=,99.5,nM,c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,Q2P:A:4002,valid,ic50,=,99.5,nM,c1cc(cc(c1)Cl)CN2CC(C2)CN(CC[C@@H](C(=O)O)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,ZN:A:4001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4AU7,,,,,,,
,,,EDO:A:1256,invalid,,,,,C(CO)O,
,,,EDO:B:1226,invalid,,,,,C(CO)O,
,,,EDO:B:1225,invalid,,,,,C(CO)O,
,,,EDO:B:1222,invalid,,,,,C(CO)O,
,,,EDO:A:1255,invalid,,,,,C(CO)O,
,,,EDO:B:1224,invalid,,,,,C(CO)O,
,,,EDO:B:1221,invalid,,,,,C(CO)O,
,,,EDO:B:1223,invalid,,,,,C(CO)O,
,,,EDO:A:1257,invalid,,,,,C(CO)O,
,,,EDO:A:1252,invalid,,,,,C(CO)O,
,,,EDO:A:1253,invalid,,,,,C(CO)O,
,,,EDO:B:1220,invalid,,,,,C(CO)O,
,,,EDO:A:1250,invalid,,,,,C(CO)O,
,,,EDO:A:1254,invalid,,,,,C(CO)O,
,,,EDO:B:1227,invalid,,,,,C(CO)O,
,,,EDO:A:1251,invalid,,,,,C(CO)O,
,,,ZN:B:1219,invalid,,,,,[Zn+2],
,,,ZN:A:1249,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1248,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ARG HIS ARG MLY VAL LEU ARG ASP TYR:C:17,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C)CC(C)C)CCCNC(=[NH2+])N)CC(=O)[O-])Cc1ccc(O)cc1,
,Family. Representative Entry is ,6A5K,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,SAM:A:805,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6A5M,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,SAM:A:805,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3HNA,,,,,,,
,,,SAH:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2F69,,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M56,,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M5A,,,,,,,
,,,CO:A:2,Part of Protein,,,,,[Co+2],
,,,CO:A:3,Part of Protein,,,,,[Co+2],
,,,CO:A:367,Part of Protein,,,,,[Co+2],
,,,CO:A:4,Part of Protein,,,,,[Co+2],
,,,CO:A:5,Part of Protein,,,,,[Co+2],
,,,CO:A:7,Part of Protein,,,,,[Co+2],
,,,CO:A:8,Part of Protein,,,,,[Co+2],
,,,GOL:A:368,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:370,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M59,,,,,,,
,,,CO:A:2,invalid,,,,,[Co+2],
,,,CO:A:3,invalid,,,,,[Co+2],
,,,CO:A:367,invalid,,,,,[Co+2],
,,,GOL:A:368,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M58,,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M55,,,,,,,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6UCS,,,,,,,
,,,Q41:A:401,valid,Ki,<,0.02,nM,Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F,
,,,Q41:B:401,valid,Ki,<,0.02,nM,Cc1cc(ccc1c2cc(cc3c2CCN(C3=O)Cc4cc(cc(c4)OC)OC)C[N]5=C(N(C=C5)C)N)F,
,,2G99,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG MLY SER:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLY GLN THR ALA ARG MLY SER:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,6E22,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HLS:B:401,valid,Kd,=,1.3,nM,COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F,
,,,HLS:A:401,valid,Kd,=,1.3,nM,COc1cc(cc(c1)OC)CNC(=O)c2ccc(c(c2)CNC3=NCCN3)F,
,,6UHZ,,,,,,,
,,,Q8D:A:401,valid,,,,,c1cc2c(cc1C(=O)O)nnn2C3CCCCC3,
,,,Q8D:B:401,valid,,,,,c1cc2c(cc1C(=O)O)nnn2C3CCCCC3,
,,6PGA,,,,,,,
,,,OGM:A:401,valid,Kd,=,28.9,uM,COC(=O)NCCCCc1[nH]c(cn1)CO,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PG7,,,,,,,
,,,OH4:A:401,valid,Kd,=,22,uM,CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,6DAI,,,,,,,
,,,G2V:A:504,valid,,,,,CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4,
,,,G2V:A:503,valid,,,,,CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:A:501,invalid,,,,,CS(=O)C,
,,6PG4,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OHG:A:401,valid,Kd,=,260,uM,Cc1[nH]cc(n1)CO,
,,6DY7,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HH7:A:401,valid,Kd,=,66200,nM,c1cc(c(cc1Cl)Cl)OCCCNc2[nH]ccn2,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,6U8O,,,,,,,
,,,Q1G:A:401,valid,Kd,=,0.289,uM,c1cc(c(cc1C2(CCC2)C#N)NS(=O)(=O)c3cc(ccc3O)Br)O,
,,6PG9,,,,,,,
,,,OH1:A:401,valid,Kd,=,12,uM,c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO,
,,,OH1:B:401,valid,Kd,=,12,uM,c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO,
,,2CNX,,,,,,,
,,,ALA ARG THR MLY GLN:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCCC[NH+](C)C)CCC(=O)N,
,,3UVM,,,,,,,
,,,GLY ALA ALA ARG ALA GLU VAL TYR LEU ARG:B:2508,valid,Kd,=,0.03,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CC(C)C)Cc1ccc(O)cc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C)C)CCCNC(=[NH2+])N)C)CCC(=O)[O-])C(C)C,
,,6UJJ,,,,,,,
,,,QBP:A:401,valid,,,,,c1cc(ccc1c2[nH]nnn2)C(F)(F)F,
,,6E1Y,,,,,,,
,,,HLM:B:401,valid,Kd,=,22,nM,C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3,
,,,HLM:A:401,valid,Kd,=,22,nM,C[C@@H](c1cccc(c1)Cl)NC(=O)c2cccc(c2)CNC3=NCCN3,
,,6PG5,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OHV:A:401,valid,Kd,=,11,uM,c1ccc(cc1)COC(=O)NCCCCc2[nH]c(cn2)CO,
,,2H6K,,,,,,,
,,,ALA ARG THR MLZ GLN THR ALA ARG LYS:C:1,valid,Kd,=,8.7,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLZ GLN THR ALA ARG LYS:D:1,valid,Kd,=,8.7,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,6PGF,,,,,,,
,,,OJP:A:401,valid,,,,,C=CC(=O)NCCCCc1[nH]cc(n1)CO,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6U6W,,,,,,,
,,,Q0Y:B:401,valid,Kd,=,4.71,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br,
,,,Q0Y:A:401,valid,Kd,=,4.71,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br,
,,2H6Q,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:C:1,valid,Kd,=,7.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:D:1,valid,Kd,=,7.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,6PG6,,,,,,,
,,,OH7:A:402,valid,Kd,=,200,uM,CC(=O)NCCCCc1[nH]cc(n1)CO,
,,,OH7:B:402,valid,Kd,=,200,uM,CC(=O)NCCCCc1[nH]cc(n1)CO,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,6PG8,,,,,,,
,,,OGY:D:401,valid,Kd,=,140,uM,c1ccc(cc1)CCCc2[nH]cc(n2)CO,
,,,OGY:A:401,valid,Kd,=,140,uM,c1ccc(cc1)CCCc2[nH]cc(n2)CO,
,,,OGY:B:401,valid,Kd,=,140,uM,c1ccc(cc1)CCCc2[nH]cc(n2)CO,
,,,OGY:C:401,valid,Kd,=,140,uM,c1ccc(cc1)CCCc2[nH]cc(n2)CO,
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6U80,,,,,,,
,,,Q1J:A:401,valid,Kd,=,37,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br,
,,,Q1J:B:401,valid,Kd,=,37,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br,
,,4Y7R,,,,,,,
,,,TRS:A:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLU GLU ILE ASP VAL VAL SER VAL:B:260,valid,Kd,=,9.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CC(=O)[O-])C(C)C)C(C)C)CO)C(C)C,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6DAK,,,,,,,
,,,G1Y:A:401,valid,Ki,=,7.21,uM,c1ccc(cc1)C(=O)NCc2cccc(c2)c3cn4c(n3)CCC4,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,6E23,,,,,,,
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HLJ:B:401,valid,Kd,=,0.1,nM,[H]/N=C/1N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C,
,,,HLJ:A:401,valid,Kd,=,0.1,nM,[H]/N=C/1N(C=CN1Cc2cc(cc(c2)C(=O)NCc3ccc(c(c3)Cl)Cl)c4ccc(nc4C)F)C,
,,5SXM,,,,,,,
,,,ACE ALA ARG THR GLU VAL TYR NH2:D:0,valid,Kd,=,2.9,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CCCNC(=[NH2+])N)C(O)C)CCC(=O)[O-])C(C)C)Cc1ccc(O)cc1,
,,,ACE ALA ARG THR GLU VAL TYR NH2:C:0,valid,Kd,=,2.9,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CCCNC(=[NH2+])N)C(O)C)CCC(=O)[O-])C(C)C)Cc1ccc(O)cc1,
,,3PSL,,,,,,,
,,,ACE ALA ARG THR LYS GLN:C:0,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C)C)CCCNC(=[NH2+])N)C(O)C,
,,,ACE ALA ARG THR LYS GLN:D:0,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C)C)CCCNC(=[NH2+])N)C(O)C,
,,6D9X,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,FZM:A:502,valid,Ki,=,323,uM,c1ccc(cc1)c2cn3c(n2)CCC3,
,,6U8B,,,,,,,
,,,Q1M:A:401,valid,Kd,=,0.431,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br,
,,,Q1M:B:401,valid,Kd,=,0.431,uM,COc1ccc(cc1S(=O)(=O)Nc2cc(cc(c2O)C(=O)O)Cl)Br,
,,6DAS,,,,,,,
,,,G2D:B:401,valid,Ki,=,8.37,nM,Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5,
,,,G2D:A:401,valid,Ki,=,8.37,nM,Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5,
,,6E1Z,,,,,,,
,,,HLP:A:401,valid,Kd,=,150000,nM,c1cc(oc1Cn2ccnc2)C(=O)O,
,,,HLP:B:401,valid,Kd,=,150000,nM,c1cc(oc1Cn2ccnc2)C(=O)O,
,,6UIF,,,,,,,
,,,Q8P:B:401,valid,Kd,=,0.17,uM,CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,,Q8P:A:401,valid,Kd,=,0.17,uM,CNC(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,6OI0,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,6PGE,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,OJM:A:401,valid,Kd,=,240,uM,CCOC(=O)CCc1[nH]cc(n1)CO,
,,6DAR,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G2J:A:401,valid,Ki,=,0.219,uM,COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5,
,,5VFC,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9BA:A:401,valid,ic50,=,0.9,nM,[H]/N=C(NC)/NCCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC[C@@](C(=O)N1)(C)NC(=O)C(C)C)c2ccccc2)CC,
,,6PGB,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OJG:A:401,valid,Kd,=,25,uM,c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO,
,,6UHY,,,,,,,
,,,Q8G:B:401,valid,,,,,c1cc2c(cc1C(=O)O)ncn2C3CCCCC3,
,,,Q8G:A:401,valid,,,,,c1cc2c(cc1C(=O)O)ncn2C3CCCCC3,
,,6U8L,,,,,,,
,,,Q1P:B:401,valid,,,,,c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O,
,,,Q1P:A:401,valid,,,,,c1cc(c(cc1Br)S(=O)(=O)Nc2cc(c(c(c2O)C(=O)O)F)C3CC3)O,
,,,Q1S:B:402,valid,,,,,CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-],
,,,Q1S:A:402,valid,,,,,CN1CCN(CC1)c2ccc(cc2Nc3c4ccccc4ccn3)[N+](=O)[O-],
,,6U5Y,,,,,,,
,,,Q0M:A:401,valid,Kd,=,0.069,uM,CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N,
,,,Q0M:B:401,valid,Kd,=,0.069,uM,CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N,
,,6PGC,,,,,,,
,,,OJJ:A:403,valid,Kd,=,4.5,uM,COC(=O)N(CCCCc1[nH]cc(n1)CO)Cc2ccccc2,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2H13,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS SER:B:1,valid,Kd,=,4.5,uM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CC)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,2H6N,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:C:1,valid,Kd,=,1.02,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:D:1,valid,Kd,=,1.02,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,6UOZ,,,,,,,
,,,QF1:B:401,valid,,,,,CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,,QF1:A:401,valid,,,,,CS(=O)(=O)c1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,6UFX,,,,,,,
,,,Q6S:A:401,valid,Ki,=,0.049,nM,[H]/N=C/1N(C=CN1Cc2cc(cc(c2)C(=O)NCc3cc(cc(c3)OC)OC)c4ccc(cc4C)F)C,
,,6PGD,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OK4:A:401,valid,,,,,C[C@@H](C(=O)N[C@@H](CCCc1[nH]c(cn1)CO)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)C,
,,6UJL,,,,,,,
,,,QBM:A:402,valid,,,,,CCCSc1nc(c(nn1)C)O,
,,,QBM:A:401,valid,,,,,CCCSc1nc(c(nn1)C)O,
,,6UJ4,,,,,,,
,,,Q8S:B:401,valid,Kd,=,0.17,uM,Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,,Q8S:A:401,valid,Kd,=,0.17,uM,Cc1nc(cn1C2CCCC2)NS(=O)(=O)c3cc(cc(c3O)Cl)Br,
,,6OI2,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2MR:A:407,valid,,,,,CN/C(=N/C)/NCCC[C@@H](C(=O)O)N,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,6UJH,,,,,,,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,QBS:B:401,valid,,,,,CC(=O)[C@@H](C#N)c1ccc(cc1)Cl,
,,,QBS:A:401,valid,,,,,CC(=O)[C@@H](C#N)c1ccc(cc1)Cl,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6U5M,,,,,,,
,,,Q0S:B:401,valid,Kd,=,0.511,uM,CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br,
,,,Q0S:A:401,valid,Kd,=,0.511,uM,CS(=O)(=O)c1cc(cc(c1)S(F)(F)(F)(F)F)NS(=O)(=O)c2cc(ccc2O)Br,
,,6UIK,,,,,,,
,,,Q8M:B:401,valid,Kd,=,0.4,uM,c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br,
,,,Q8M:A:401,valid,Kd,=,0.4,uM,c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br,
,,6OI1,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NMM:A:404,valid,,,,,[H]/N=C(/NC)NCCC[C@@H](C(=O)O)N,
,,6PG3,,,,,,,
,,,OHJ:B:401,valid,Kd,=,480,uM,CCCCc1[nH]cc(n1)CO,
,,,OHJ:A:401,valid,Kd,=,480,uM,CCCCc1[nH]cc(n1)CO,
,Family. Representative Entry is ,5JLB,,,,,,,
,,,SCN:A:1803,invalid,,,,,C(#N)[S-],
,,,SCN:A:1804,invalid,,,,,C(#N)[S-],
,,,SCN:A:1802,invalid,,,,,C(#N)[S-],
,,,GOL:A:1806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1805,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1808,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1809,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1807,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JJY,,,,,,,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,SCN:A:1806,invalid,,,,,C(#N)[S-],
,,,SCN:A:1807,invalid,,,,,C(#N)[S-],
,,,SCN:B:101,invalid,,,,,C(#N)[S-],
,,,SCN:A:1805,invalid,,,,,C(#N)[S-],
,,,SCN:A:1808,invalid,,,,,C(#N)[S-],
,,,SAH:A:1804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6J9J,,,,,,,
,,,SCN:A:1807,invalid,,,,,C(#N)[S-],
,,,SCN:A:1806,invalid,,,,,C(#N)[S-],
,,,SCN:A:1805,invalid,,,,,C(#N)[S-],
,,,SCN:A:1808,invalid,,,,,C(#N)[S-],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1MT6,,,,,,,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1N6C,,,,,,,
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5MW4,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5JU:A:401,valid,Ki,=,0.002,nM,Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6,
,,,5JU:B:401,valid,Ki,=,0.002,nM,Cc1c(cccn1)c2c3cc(ccc3sc2Cl)NC(=O)NCC(=O)NCCCN(C)[C@@H]4CCCN(C4)c5c6c(ncn5)N=CC6,
,,5MVS,,,,,,,
,,,5JJ:B:402,valid,ic50,=,190,nM,CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl,
,,,5JJ:A:402,valid,ic50,=,190,nM,CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl,
,,,TLA:A:403,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ADN:A:401,valid,ic50,=,100,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:401,valid,ic50,=,100,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,5DTR,,,,,,,
,,,5F7:A:401,valid,ic50,=,39,uM,CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl,
,,,5F7:B:401,valid,ic50,=,39,uM,CN(c1ccc2c(c1)c(ccn2)OC)c3c(cccc3Cl)Cl,
,,5DT2,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5EV:A:401,valid,ic50,=,150,nM,Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC,
,,,5EV:B:401,valid,ic50,=,150,nM,Cc1cc2ccc(cc2n1c3ccccc3Oc4ccccc4)Nc5nccc(n5)NC,
,,5DRY,,,,,,,
,,,K:B:1001,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,5EK:A:402,valid,ic50,=,20,nM,c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl,
,,,5EK:B:1002,valid,ic50,=,20,nM,c1ccc(c(c1)c2nnnn2CC(=O)NNC(=O)Nc3ccc4ccn(c4c3)c5ccccc5Cl)Cl,
,,3SR4,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TT8:A:417,valid,Ki,=,0.29,uM,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O,
,,6TEN,,,,,,,
,,,N5K:B:401,valid,ic50,=,0.00017,uM,COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N,
,,,N5K:A:401,valid,ic50,=,0.00017,uM,COc1nc(nc(n1)Nc2cc(ccc2N[C@@H](c3cccc4c3OC(O4)(F)F)c5c(cccn5)Cl)S(=O)(=O)N)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6TE6,,,,,,,
,,,N4W:A:401,valid,ic50,=,0.27,uM,CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4,
,,,N4W:B:401,valid,ic50,=,0.27,uM,CS(=O)(=O)c1ccc(c(c1)Nc2ncccn2)N[C@@H](c3cccc(c3)Cl)c4ccccn4,
,,5DSX,,,,,,,
,,,K:B:1001,Part of Protein,,,,,[K+],
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,5EW:B:1002,valid,ic50,=,10,nM,Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC,
,,,5EW:A:1002,valid,ic50,=,10,nM,Cc1cc2ccc(cc2n1c3cc(cnc3Cl)C4=C(C=CN(C4=O)C)C)Nc5nccc(n5)NC,
,,5MW3,,,,,,,
,,,5JJ:A:401,valid,ic50,=,190,nM,CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl,
,,,5JJ:B:401,valid,ic50,=,190,nM,CCC#CCN(c1ccc2c(c1)c(ccn2)N)c3c(cccc3Cl)Cl,
,,,5JT:B:402,valid,ic50,=,240,uM,c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N,
,,,5JT:A:402,valid,ic50,=,240,uM,c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)N,
,,,TLA:A:403,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6TEL,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,N4Z:B:401,valid,ic50,=,0.00011,uM,COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C,
,,,N4Z:A:401,valid,ic50,=,0.00011,uM,COc1nc(nc(n1)N2CCNCC2)Nc3cc(ccc3N[C@@H](c4cccc5c4OC(O5)(F)F)c6c(cccn6)Cl)S(=O)(=O)C,
,,5DTM,,,,,,,
,,,5F4:B:401,valid,Kd,~,50,uM,CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl,
,,,5F4:A:401,valid,Kd,~,50,uM,CNC(=O)c1cc(c[nH]1)C(=O)c2c(cccc2Cl)Cl,
,,4WVL,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,3US:A:401,valid,,,,,CC(C)N(CCCNC(=O)Nc1ccc(cc1)C(C)(C)C)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4NCCCCNC(=O)C)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ICT,,,,,,,
,,,SAH:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6ICV,,,,,,,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4Z4P,,,,,,,
,,,SAH:A:5602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:5601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3F9W,,,,,,,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:E:16,valid,Kd,=,19,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:F:16,valid,Kd,=,19,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:G:16,valid,Kd,=,19,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:H:16,valid,Kd,=,19,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3F9Z,,,,,,,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:E:16,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:F:16,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:G:16,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:H:16,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2BQZ,,,,,,,
,,,ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR:B:17,valid,Kd,=,20,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH2+]C)C(C)C)CC(C)C)CCCNC(=[NH2+])N)CC(=O)[O-])CC(=O)N)Cc1ccc(O)cc1,
,,,ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR:F:17,valid,Kd,=,20,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH2+]C)C(C)C)CC(C)C)CCCNC(=[NH2+])N)CC(=O)[O-])CC(=O)N)Cc1ccc(O)cc1,
,,,SAH:A:1354,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:1354,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3F9X,,,,,,,
,,,ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP:E:16,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C,
,,,ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP:F:16,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C,
,,,ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP:G:16,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C,
,,,ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP:H:16,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1ZKK,,,,,,,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:E:16,valid,Kd,=,33,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:F:16,valid,Kd,=,33,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:G:16,valid,Kd,=,33,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP:H:16,valid,Kd,=,33,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)C)CCCC[NH3+])C(C)C,
,,,SAH:A:2800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:2802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:2803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3F9Y,,,,,,,
,,,ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP:E:16,valid,Kd,=,32,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH2+]C)C(C)C,
,,,ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP:F:16,valid,Kd,=,32,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH2+]C)C(C)C,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6BOX,,,,,,,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,SAH:B:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5CCM,,,,,,,
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,4ZX:A:505,valid,ic50,=,4,nM,c1ccc(cc1)CNC2CCN(CC2)S(=O)(=O)N3[C@@H]4CC[C@H]3CC(C4)NC(=O)c5cc6c(cc5Cl)NC(=O)C6,
,,3PDN,,,,,,,
,,,GOL:A:430,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,MG:A:439,invalid,,,,,[Mg+2],
,,,MG:A:440,invalid,,,,,[Mg+2],
,,,SFG:A:429,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:A:436,Part of Protein,,,,,[Zn+2],
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,,ZN:A:438,Part of Protein,,,,,[Zn+2],
,,6P7Z,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,O41:A:507,valid,,,,,CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3,
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,SAM:A:506,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5CCL,,,,,,,
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,4ZW:A:506,invalid,,,,,c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2,
,,,4ZW:A:505,valid,,,,,c1cc2c(cc1C(=O)NC3CCNCC3)CC(=O)N2,
,,5EX3,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,SAH:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ACY:A:505,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,ACY:A:506,invalid,,,,,CC(=O)O,
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,LEU LYS LEU GLY MLY SER LEU GLY ARG:D:828,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(C)C)CCCC[NH+](C)C)CO,
,,3RU0,,,,,,,
,,,SFG:A:437,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:437,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:A:438,Part of Protein,,,,,[Zn+2],
,,,ZN:A:439,Part of Protein,,,,,[Zn+2],
,,,ZN:A:440,Part of Protein,,,,,[Zn+2],
,,,ZN:B:438,Part of Protein,,,,,[Zn+2],
,,,ZN:B:439,Part of Protein,,,,,[Zn+2],
,,,ZN:B:440,Part of Protein,,,,,[Zn+2],
,,5HI7,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,62X:A:507,valid,Ki,=,14,nM,CN(C)CCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,6P6G,,,,,,,
,,,LUP:A:510,valid,Ki,=,6,nM,c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)NCCCC(F)(F)F)C4CC4,
,,,SAH:A:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,6P6K,,,,,,,
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,SAM:A:507,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,L0J:A:508,valid,,,,,c1c(onc1C(=O)NC2CCN(CC2)S(=O)(=O)CCN)C3CC3,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,6PAF,,,,,,,
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,O6A:A:509,valid,,,,,c1cc(ccc1CN)S(=O)(=O)N2CCC(CC2)NC(=O)c3cc(on3)C4CC4,
,,,SAM:A:508,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6IJL,,,,,,,
,,,A8U:A:501,invalid,,,,,CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c2ccc3ccc(nc3c2)c4ccc(cc4)C5(CC5)N,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,SAM:A:505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5WUK,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,73K:A:502,valid,Kd,=,14,nM,CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4,
,,5H17,,,,,,,
,,,LQE:A:501,valid,ic50,=,0.89,uM,CN1C[C@H](C[C@@H]2[C@@H]1Cc3cccc(c3C2)OC)Cc4cccc(c4)OC,
,,5U5T,,,,,,,
,,,YT3:B:501,invalid,,,,,[Y+3],
,,,YT3:B:502,invalid,,,,,[Y+3],
,,,7W7:B:503,valid,ic50,=,3.9,uM,[H]/N=C(/N)N1CCC[C@@H](C1)Cc2cccc3c2OCO3,
,,,7W7:A:501,valid,ic50,=,3.9,uM,[H]/N=C(/N)N1CCC[C@@H](C1)Cc2cccc3c2OCO3,
,,5H19,,,,,,,
,,,LQF:A:501,valid,ic50,=,0.32,uM,c1ccc(cc1)CN2CCc3c(c4nncn4c(c3C#N)NCc5ccco5)C2,
,,5H24,,,,,,,
,,,LQG:B:501,valid,,,,,c1cc(oc1)CNc2c(ccc3n2cnn3)C#N,
,,,LQG:A:501,valid,,,,,c1cc(oc1)CNc2c(ccc3n2cnn3)C#N,
,,5GSA,,,,,,,
,,,73K:B:501,valid,Kd,=,82.5,nM,CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4,
,,,73K:A:501,valid,Kd,=,82.5,nM,CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4ccco4,
,,5H14,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,LQB:A:502,valid,ic50,=,8.76,uM,Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C,
,,,LQB:B:502,valid,ic50,=,8.76,uM,Cc1cc(n(n1)c2cc(ccc2[N+](=O)[O-])N3CCc4ccccc4C3)C,
,,5U62,,,,,,,
,,,YT3:A:502,invalid,,,,,[Y+3],
,,,YT3:A:503,invalid,,,,,[Y+3],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,7WD:B:501,valid,ic50,=,1.3,uM,c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N,
,,,7WD:A:504,valid,ic50,=,1.3,uM,c1cc(c2c(c1)OCO2)C[C@@H]3CCc4cnc(n4C3)N,
,,5H15,,,,,,,
,,,LQD:B:501,valid,ic50,=,1.57,uM,Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC,
,,,LQD:A:501,valid,ic50,=,1.57,uM,Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC,
,Family. Representative Entry is ,4J8O,,,,,,,
,,,ACE SER LYS SER ALA ASP ARG LYS TYR THR LEU:B:186,Part of Protein,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4J83,,,,,,,
,,,ACE SER LYS SER ALA ASP ARG LYS TYR THR LEU:B:186,Part of Protein,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6KQQ,,,,,,,
,,,DQL:A:2102,invalid,,,,,c1c(cc2c(c1O)nc(s2)N)S,
,,,DQL:B:2102,invalid,,,,,c1c(cc2c(c1O)nc(s2)N)S,
,,,ZN:B:2106,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2106,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2104,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2105,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2104,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2105,Part of Protein,,,,,[Zn+2],
,,,CA:A:2108,Part of Protein,,,,,[Ca+2],
,,,CA:A:2107,Part of Protein,,,,,[Ca+2],
,,,DW9:A:2103,invalid,,,,,c1c(cc2c(c1O)nc(s2)N)SSc3cc(c4c(c3)sc(n4)N)O,
,,,SAM:B:2101,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:2101,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:B:2103,invalid,,,,,C(C(CO)O)O,
,,3OOI,,,,,,,
,,,SAM:A:237,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:235,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:232,Part of Protein,,,,,[Zn+2],
,,,ZN:A:233,Part of Protein,,,,,[Zn+2],
,,,ZN:A:234,Part of Protein,,,,,[Zn+2],
,,6KQP,,,,,,,
,,,ZN:A:2103,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2104,Part of Protein,,,,,[Zn+2],
,,,SAM:A:2101,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5VAC,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4O30,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,BME:B:402,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,5VAH,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5V22,,,,,,,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5V21,,,,,,,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,SAM:A:1804,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3P4F,,,,,,,
,,,HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU:C:3762,valid,,,,,O=C(NC(C(=O)NC(C=O)C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)C)C)CCCNC(=[NH2+])N)C)CCC(=O)[O-])C(C)C,
,Family. Representative Entry is ,5YLT,,,,,,,
,,,SFG:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,C7N:A:402,valid,ic50,=,0.41,uM,CN1CCC(=C2c3ccccc3C=Cc4c2ccc(c4)O)CC1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,3VUZ,,,,,,,
,,,K15:A:401,valid,,,,,CCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3VV0,,,,,,,
,,,KH3:A:401,valid,,,,,CCCCCCNCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3CBO,,,,,,,
,,,BME:A:395,invalid,,,,,C(CS)O,
,,,BME:A:396,invalid,,,,,C(CS)O,
,,,BME:A:397,invalid,,,,,C(CS)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,ILE LYS ARG SER MLZ LYS ASN SER LEU ALA:B:299,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CO,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3CBP,,,,,,,
,,,BME:A:395,invalid,,,,,C(CS)O,
,,,BME:A:396,invalid,,,,,C(CS)O,
,,,BME:A:397,invalid,,,,,C(CS)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,ILE LYS ARG SER LYS LYS ASN SER LEU ALA:B:299,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CO,
,,,SFG:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,5EG2,,,,,,,
,,,SER LYS SER MLZ ASP ARG LYS TYR THR LEU:B:186,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CC(=O)[O-])CCCC[NH2+]C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3OS5,,,,,,,
,,,BME:A:500,invalid,,,,,C(CS)O,
,,,EDO:A:391,invalid,,,,,C(CO)O,
,,,EDO:A:392,invalid,,,,,C(CO)O,
,,,EDO:A:393,invalid,,,,,C(CO)O,
,,,EDO:A:394,invalid,,,,,C(CO)O,
,,,EDO:A:395,invalid,,,,,C(CO)O,
,,,SAH:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,THR PRO ARG ARG SER MLZ SER ALA:B:137,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CO)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CO,
,,,UNL:A:400,invalid,,,,,NULL,
,,1XQH,,,,,,,
,,,LEU LYS SER MLZ LYS GLY GLN SER THR TYR:B:369,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CCCC[NH2+]C)CO)CCCC[NH3+])C([NH3+])CC(C)C,
,,,LEU LYS SER MLZ LYS GLY GLN SER THR TYR:F:369,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CCCC[NH2+]C)CO)CCCC[NH3+])C([NH3+])CC(C)C,
,,,SAH:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:2501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1N6A,,,,,,,
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1O9S,,,,,,,
,,,ALA ARG THR MLZ GLN THR ALA ARG LYS TYR:K:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLZ GLN THR ALA ARG LYS TYR:L:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,SAH:A:1367,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1367,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5AYF,,,,,,,
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,C7H:A:402,valid,Ki,=,15,uM,CN1CCC(=C2c3ccccc3C=Cc4c2cccc4)CC1,
,,3CBM,,,,,,,
,,,BME:A:395,invalid,,,,,C(CS)O,
,,,BME:A:396,invalid,,,,,C(CS)O,
,,,BME:A:397,invalid,,,,,C(CS)O,
,,,ILE LYS ARG SER MLZ LYS ASN SER LEU ALA:B:298,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CCCC[NH2+]C)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CO,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5VBC,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5HQ8,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,EDO:J:301,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,SAH:B:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6CEN,,,,,,,
,,,ZN:A:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,SAM:A:1301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ACE GLY VAL NLE ARG ILE NH2:D:0,valid,ic50,=,3.2,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C(C)C)CCCC)CCCNC(=[NH2+])N)C(CC)C,
,Family. Representative Entry is ,3QOX,,,,,,,
,,,SAH:A:417,valid,Ki,=,0.27,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QOW,,,,,,,
,,,SAM:A:417,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NW3,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EK9,,,,,,,
,,,EP4:A:501,valid,Ki,=,38000,nM,CN(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4C1Q,,,,,,,
,,,ZN:B:493,Part of Protein,,,,,[Zn+2],
,,,ZN:A:493,Part of Protein,,,,,[Zn+2],
,,,SAH:A:394,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS TYR:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,GOL:B:1358,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2R3A,,,,,,,
,,,SAM:A:304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5VA6,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5KJK,,,,,,,
,,,6T1:A:506,valid,ic50,=,0.012,uM,c1ccc(c(c1)c2cc(ccn2)C(=O)NCCCN3CCCC3)OC4CN(C4)CCc5ccc(c(c5)Cl)Cl,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,BU3:A:502,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:504,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:503,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:505,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3QWV,,,,,,,
,,,SAH:A:434,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:435,Part of Protein,,,,,[Zn+2],
,,,ZN:A:436,Part of Protein,,,,,[Zn+2],
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,3QWW,,,,,,,
,,,SFG:A:434,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:A:435,Part of Protein,,,,,[Zn+2],
,,,ZN:A:436,Part of Protein,,,,,[Zn+2],
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,4WUY,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,3UJ:A:501,valid,ic50,<,15,nM,Cc1cn(c2c1cccc2)CCN3CCN(CC3)c4ccccc4c5cc(cc(c5)C(=O)NCCCN6CCCC6)C#N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5ARF,,,,,,,
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1004,Part of Protein,,,,,[Zn+2],
,,,I9H:A:1001,valid,Kd,=,540,nM,CCN([C@H]1CN(N=C1c2ccc(cc2)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO,
,,,SAM:A:1002,invalid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5KJM,,,,,,,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,6TM:A:502,valid,ic50,=,0.065,uM,c1ccc(c(c1)c2cc(c3c[nH]nc3n2)C(=O)NCCCN4CCCC4)N5CCN(CC5)CCc6ccc(c(c6)Cl)Cl,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3TG4,,,,,,,
,,,GOL:A:438,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:439,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:440,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:441,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:442,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:434,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:435,Part of Protein,,,,,[Zn+2],
,,,ZN:A:436,Part of Protein,,,,,[Zn+2],
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,5ARG,,,,,,,
,,,SAM:A:1434,invalid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1004,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1433,invalid,,,,,C(C(CO)O)O,
,,,H41:A:1432,valid,ic50,=,27,nM,CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO,
,,3S7B,,,,,,,
,,,BU3:A:434,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:435,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:436,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:437,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:438,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,NH5:A:439,valid,Kd,=,0.5,uM,c1cc(c(cc1CCNCCC(=O)N(CCNCCc2ccc(c3c2OCC(=O)N3)O)C4CCCCC4)Cl)Cl,
,,,SAM:A:1000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:440,Part of Protein,,,,,[Zn+2],
,,,ZN:A:441,Part of Protein,,,,,[Zn+2],
,,,ZN:A:442,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4YNM,,,,,,,
,,,ZN:B:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2301,Part of Protein,,,,,[Zn+2],
,,,SAM:B:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4YPE,,,,,,,
,,,ZN:B:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2301,Part of Protein,,,,,[Zn+2],
,,,SAM:B:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4YPA,,,,,,,
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2302,Part of Protein,,,,,[Zn+2],
,,,SAM:B:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:3004,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:2304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5CPR,,,,,,,
,,,539:B:403,valid,Kd,=,27.8,nM,c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCCC4)Cl)Cl,
,,,SAM:B:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4BUP,,,,,,,
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1327,invalid,,,,,C(C(CO)O)O,
,,,SAM:B:500,valid,Kd,=,11.2,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:500,valid,Kd,=,11.2,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2W5Z,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG TYR:C:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(O)C)CCCC[NH+](C)C)CCC(=O)N)C(O)C)C)CCCNC(=[NH2+])N)Cc1ccc(O)cc1,
,,,GOL:A:4972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4973,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:4971,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:4970,Part of Protein,,,,,[Zn+2],
,,2W5Y,,,,,,,
,,,SAH:A:4971,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:4970,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3M54,,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M57,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3M53,,,,,,,
,,,SAH:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4FMU,,,,,,,
,,,0UM:A:1804,valid,Kd,=,360,nM,CCCN[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,UNX:A:1805,invalid,,,,,*,
,,,UNX:A:1806,invalid,,,,,*,
,,,UNX:A:1807,invalid,,,,,*,
,,,UNX:A:1808,invalid,,,,,*,
,,,UNX:A:1809,invalid,,,,,*,
,,,UNX:A:1810,invalid,,,,,*,
,,,UNX:A:1811,invalid,,,,,*,
,,,UNX:A:1812,invalid,,,,,*,
,,,UNX:A:1813,invalid,,,,,*,
,,,UNX:A:1814,invalid,,,,,*,
,,,UNX:A:1815,invalid,,,,,*,
,,,UNX:A:1816,invalid,,,,,*,
,,,UNX:A:1817,invalid,,,,,*,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,4H12,,,,,,,
,,,CL:A:1805,invalid,,,,,[Cl-],
,,,SAH:A:1804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,5JLE,,,,,,,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2RFI,,,,,,,
,,,SAH:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1U2Z,,,,,,,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
19.-.-.-,,,,,,,,,
,Family. Representative Entry is ,6R0P,,,,,,,
,,,JNT:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N,
,,,JNT:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,6R0G,,,,,,,
,,,APR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,6R0T,,,,,,,
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,JNT:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N,
,,,JNT:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)N,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,6R0F,,,,,,,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,4U60,,,,,,,
,,,SIA:B:404,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:E:407,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,BGC GAL SIA NGA GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,GAL SIA NGA:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,,GAL SIA NGA:G:3,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,6HKV,,,,,,,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GXB:D:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:J:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:C:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:A:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:I:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:E:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:F:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:G:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:B:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,GXB:H:401,valid,,,,,CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(=O)N)C(=O)c1ccc(cc1)Cn2cc(nn2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)OC(=O)C)O)C(=O)O)C(=O)c4ccc(cc4)Cn5cc(nn5)COC6(CC(C(C(O6)C(C(CO)O)O)OC(=O)C)O)C(=O)O,
,,,MG:G:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,CL:C:403,invalid,,,,,[Cl-],
,,4U62,,,,,,,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,SIA:C:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:J:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,EDO:G:401,invalid,,,,,C(CO)O,
,,4U61,,,,,,,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,SIA:C:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:J:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:H:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:I:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6HKU,,,,,,,
,,,SIA:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GLC GAL SIA:O:1,valid,,,,,,
,,,GLC GAL SIA:N:1,valid,,,,,,
,,,GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:M:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,2W5P,,,,,,,
,,,CL8:A:143,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:B:143,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:C:143,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,SO4:A:159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JKN,,,,,,,
,,,CL8:A:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:B:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:C:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:D:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:E:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CL8:F:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,EDO:A:1142,invalid,,,,,C(CO)O,
,,,EDO:A:1143,invalid,,,,,C(CO)O,
,,,EDO:B:1142,invalid,,,,,C(CO)O,
,,,EDO:B:1143,invalid,,,,,C(CO)O,
,,,EDO:C:1142,invalid,,,,,C(CO)O,
,,,EDO:C:1143,invalid,,,,,C(CO)O,
,,,EDO:D:1142,invalid,,,,,C(CO)O,
,,,EDO:D:1143,invalid,,,,,C(CO)O,
,,,EDO:E:1142,invalid,,,,,C(CO)O,
,,,EDO:E:1143,invalid,,,,,C(CO)O,
,,,EDO:F:1143,invalid,,,,,C(CO)O,
,,,EDO:F:1144,invalid,,,,,C(CO)O,
,,,SO4:A:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1USQ,,,,,,,
,,,CLM:A:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:B:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:C:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:D:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:E:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:F:1144,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,EDO:A:1141,invalid,,,,,C(CO)O,
,,,EDO:A:1142,invalid,,,,,C(CO)O,
,,,EDO:B:1141,invalid,,,,,C(CO)O,
,,,EDO:B:1142,invalid,,,,,C(CO)O,
,,,EDO:C:1141,invalid,,,,,C(CO)O,
,,,EDO:C:1142,invalid,,,,,C(CO)O,
,,,EDO:D:1141,invalid,,,,,C(CO)O,
,,,EDO:E:1141,invalid,,,,,C(CO)O,
,,,EDO:E:1142,invalid,,,,,C(CO)O,
,,,EDO:F:1142,invalid,,,,,C(CO)O,
,,,EDO:F:1143,invalid,,,,,C(CO)O,
,,,SO4:A:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1144,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1143,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JKL,,,,,,,
,,,BRX:A:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:B:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:B:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:C:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:D:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:D:1144,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:E:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,BRX:F:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-],
,,,CLM:A:1144,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:B:1144,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:C:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:D:1145,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:E:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:F:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,EDO:A:1142,invalid,,,,,C(CO)O,
,,,EDO:B:1141,invalid,,,,,C(CO)O,
,,,EDO:C:1141,invalid,,,,,C(CO)O,
,,,EDO:D:1142,invalid,,,,,C(CO)O,
,,,EDO:E:1141,invalid,,,,,C(CO)O,
,,,SO4:A:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JKJ,,,,,,,
,,,CLM:A:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:B:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:C:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:D:1142,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:E:1141,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CLM:F:1143,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,SO4:A:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1143,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1142,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1144,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TH8:B:1142,valid,,,,,CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O,
,,,TH8:D:1143,valid,,,,,CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O,
,Family. Representative Entry is ,1T44,,,,,,,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:G:701,Part of Protein,,,,,[Ca+2],
,,,CA:G:702,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2W65,,,,,,,
,,,ALA CIR GLY LEU THR GLY ARG HYP GLY:E:1,valid,,,,,O=C(NCCCC(NC(=O)C([NH3+])C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C(C(=O)NCC=O)CC(O)C1)CCCNC(=[NH2+])N)C(O)C)CC(C)C)N,
,,,ALA CIR GLY LEU THR GLY ARG HYP GLY:F:2,valid,,,,,O=C(NCCCC(NC(=O)C([NH3+])C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C(C(=O)NCC=O)CC(O)C1)CCCNC(=[NH2+])N)C(O)C)CC(C)C)N,
,,,SO4:A:1219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1219,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZQK,,,,,,,
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1006,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1005,Part of Protein,,,,,[Zn+2],
,,,SAM:A:1001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2WA2,,,,,,,
,,,SAM:A:1248,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1267,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
2.5.1.90,,,,,,,,,
,Family. Representative Entry is ,3WJO,,,,,,,
,,,IPE:A:401,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:A:402,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,5ZE6,,,,,,,
,,,HJX:B:401,valid,,,,,CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O,
,,,HJX:A:401,valid,,,,,CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
5.4.11.99,,,,,,,,,
,Family. Representative Entry is ,2PWG,,,,,,,
,,,CA:A:7000,Part of Protein,,,,,[Ca+2],
,,,CA:B:7001,Part of Protein,,,,,[Ca+2],
,,,CTS:A:8000,valid,Ki,=,15,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:B:8001,valid,Ki,=,15,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,4GI6,,,,,,,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GLC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,TRS:B:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2PWD,,,,,,,
,,,CA:A:7001,Part of Protein,,,,,[Ca+2],
,,,CA:B:7000,Part of Protein,,,,,[Ca+2],
,,,NOJ:A:8000,valid,Ki,=,40,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:8001,valid,Ki,=,40,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,2PWF,,,,,,,
,,,BGC:A:9998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:9999,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:9998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:9999,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:7000,Part of Protein,,,,,[Ca+2],
,,,CA:B:7001,Part of Protein,,,,,[Ca+2],
,,,CA:C:7000,Part of Protein,,,,,[Ca+2],
,,,CA:D:7001,Part of Protein,,,,,[Ca+2],
,,2PWE,,,,,,,
,,,CA:A:7001,Part of Protein,,,,,[Ca+2],
,,,CA:B:7000,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
1.12.98.1,,,,,,,,,
,Family. Representative Entry is ,6QGT,,,,,,,
,,,144:G:305,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:504,invalid,,,,,C[N+](CO)(CO)CO,
,,,J52:A:501,valid,,,,,C(#N)[Fe](=C=O)(C#N)[Ni]C#[O+],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,BU3:B:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:306,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:307,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,SF4:G:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,FES:G:304,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,6QGR,,,,,,,
,,,144:G:305,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:505,invalid,,,,,C[N+](CO)(CO)CO,
,,,MPD:A:509,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:506,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:308,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:507,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,BU3:B:306,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:304,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:510,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:306,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:307,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:309,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:305,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,SF4:G:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FES:G:304,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NFU:A:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,6QII,,,,,,,
,,,144:A:505,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:G:304,invalid,,,,,C[N+](CO)(CO)CO,
,,,BU3:B:306,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:304,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:312,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:313,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:G:311,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:305,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,XE:G:309,invalid,,,,,[Xe],
,,,XE:G:310,invalid,,,,,[Xe],
,,,XE:G:314,invalid,,,,,[Xe],
,,,XE:G:308,invalid,,,,,[Xe],
,,,XE:A:501,invalid,,,,,[Xe],
,,,XE:G:306,invalid,,,,,[Xe],
,,,XE:G:307,invalid,,,,,[Xe],
,,,SF4:G:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FES:G:305,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NFU:A:502,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,FE:A:503,Part of Protein,,,,,[Fe+3],
2.6.1.44,,,,,,,,,
,Family. Representative Entry is ,1H0C,,,,,,,
,,,AOA:A:1392,valid,,,,,C(C(=O)O)ON,
,,,GOL:A:1393,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1394,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1395,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1396,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:1391,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,2HUI,,,,,,,
,,,GLV:A:601,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:602,valid,,,,,C(=O)C(=O)O,
,,2HUU,,,,,,,
,,,1BO:B:801,invalid,,,,,CCCCO,
,,,ALA:A:701,valid,,,,,C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2ZC0,,,,,,,
,,,IMD:A:410,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:410,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:410,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:410,invalid,,,,,c1c[nH+]c[nH]1,
,,,PMP:A:409,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:409,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:409,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:409,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:C:408,Part of Protein,,,,,[Zn+2],
,,,ZN:D:408,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1VJO,,,,,,,
,,,PLP:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
2.3.1.202,,,,,,,,,
,Family. Representative Entry is ,4RI1,,,,,,,
,,,ACT:C:1302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1302,invalid,,,,,CC(=O)[O-],
,,,ACO:B:1301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:1301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.8.1.9,,,,,,,,,
,Family. Representative Entry is ,4J56,,,,,,,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4J57,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5MIT,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MIR,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MH4,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MIQ,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MIP,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MJK,,,,,,,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MIS,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2NVK,,,,,,,
,,,FAD:X:489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:X:490,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2Q0L,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2Q0K,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6RTJ,,,,,,,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FXH:A:603,valid,ic50,=,11.2,uM,CN(C)Cc1c2ccccc2ccc1O,
,,6RTM,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,KJH:A:605,valid,,,,,C=C1c2ccccc2C=CC1=O,
,,2X8G,,,,,,,
,,,FAD:A:1594,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1599,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1600,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1595,invalid,,,,,C(COCCO)O,
,,,PEG:A:1596,invalid,,,,,C(COCCO)O,
,,,PEG:A:1597,invalid,,,,,C(COCCO)O,
,,,PEG:A:1598,invalid,,,,,C(COCCO)O,
,,,PG4:A:1601,invalid,,,,,C(COCCOCCOCCO)O,
,,6FMZ,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DVQ:A:602,valid,,,,,C1CN(CCN1CCO)CCO,
,,6FMU,,,,,,,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DVK:A:602,valid,,,,,C1CN(CCN1CCCCN)CCO,
,,2V6O,,,,,,,
,,,FAD:A:1594,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NO3:A:1599,invalid,,,,,[N+](=O)([O-])[O-],
,,,PG4:A:1595,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1596,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1597,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1598,invalid,,,,,C(COCCOCCOCCO)O,
,,2X99,,,,,,,
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:603,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:604,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NDP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:616,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PG4:A:611,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:615,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:612,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:614,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:613,invalid,,,,,C(COCCOCCOCCO)O,
,,6FTC,,,,,,,
,,,EPE:A:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,2X8H,,,,,,,
,,,BME:A:1596,invalid,,,,,C(CS)O,
,,,CA:A:1600,Part of Protein,,,,,[Ca+2],
,,,FAD:A:1594,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:1595,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:A:1601,invalid,,,,,C(COCCO)O,
,,,PEG:A:1602,invalid,,,,,C(COCCO)O,
,,,PEG:A:1603,invalid,,,,,C(COCCO)O,
,,,PEG:A:1604,invalid,,,,,C(COCCO)O,
,,,PG4:A:1599,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1597,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1598,invalid,,,,,C(COCCOCCO)O,
,,6RTO,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,KJH:A:602,valid,,,,,C=C1c2ccccc2C=CC1=O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,6FP4,,,,,,,
,,,E1T:A:604,valid,ic50,=,1.1,mM,c1cc2ccc(nc2nc1)C(=O)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,250:A:606,invalid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,NA:A:605,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3QFA,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,7A76,,,,,,,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:B:402,invalid,,,,,[Na+],
,,,NA:A:402,invalid,,,,,[Na+],
,,,NA:D:402,invalid,,,,,[Na+],
,,,NA:C:402,invalid,,,,,[Na+],
,Family. Representative Entry is ,2Q7V,,,,,,,
,,,FAD:A:348,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3ITJ,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:506,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:503,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:505,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4UP3,,,,,,,
,,,EDO:B:1317,invalid,,,,,C(CO)O,
,,,NDP:A:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FAD:A:1315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.1.3.9,,,,,,,,,
,Family. Representative Entry is ,3L02,,,,,,,
,,,CP:A:346,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,SN0:A:345,valid,,,,,CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O,
,,,SO4:A:349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KZK,,,,,,,
,,,OLN:A:345,valid,,,,,CC(=O)N[C@@H](CCCNC(=O)N)C(=O)O,
,,,SO4:A:349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KZO,,,,,,,
,,,AN0:A:345,valid,,,,,CCC[C@@H](C(=O)O)NC(=O)C,
,,,CP:A:346,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,GOL:A:347,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KZN,,,,,,,
,,,AOR:A:345,valid,,,,,CC(=O)N[C@@H](CCCN)C(=O)O,
,,,GOL:A:346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:347,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M5D,,,,,,,
,,,PA9:A:345,valid,,,,,CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M4N,,,,,,,
,,,PA9:A:345,valid,,,,,CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KZM,,,,,,,
,,,CP:A:346,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,GOL:A:347,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M5C,,,,,,,
,,,PA9:A:345,valid,,,,,CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L04,,,,,,,
,,,CP:A:346,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,SN0:A:345,valid,,,,,CCC[C@@H](C(=O)O)NC(=O)CCC(=O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M4J,,,,,,,
,,,PA9:A:345,valid,,,,,CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O,
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
5.5.1.4,,,,,,,,,
,Family. Representative Entry is ,1VKO,,,,,,,
,,,CL:A:527,invalid,,,,,[Cl-],
,,,CL:A:528,invalid,,,,,[Cl-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:530,invalid,,,,,[I-],
,,,K:A:526,Part of Protein,,,,,[K+],
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,POP:A:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,1RM0,,,,,,,
,,,D6P:A:1520,valid,Ki,=,0.67,uM,C(CO)[C@H]([C@@H]([C@@H](C=CP(=O)(O)O)O)O)O,
,,,MN:A:630,Part of Protein,,,,,[Mn+2],
,,,NAI:A:650,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:660,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1P1K,,,,,,,
,,,NAI:A:650,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:660,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1P1I,,,,,,,
,,,NAD:A:650,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:660,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1P1H,,,,,,,
,,,NAD:A:650,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:660,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:670,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1P1J,,,,,,,
,,,GOL:A:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1311,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:650,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:660,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,PO4:A:1700,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JKI,,,,,,,
,,,DG6:A:630,valid,Ki,=,6,uM,C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O,
,,,DG6:B:640,valid,Ki,=,6,uM,C(CO)[C@H]([C@@H](C(COP(=O)(O)O)O)O)O,
,,,NAI:A:650,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:660,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NH4:A:670,invalid,,,,,[NH4+],
,,,NH4:B:680,invalid,,,,,[NH4+],
,Family. Representative Entry is ,1GR0,,,,,,,
,,,CAC:A:1500,invalid,,,,,C[As](=O)(C)[O-],
,,,NAD:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1200,Part of Protein,,,,,[Zn+2],
2.3.1.57,,,,,,,,,
,Family. Representative Entry is ,2Q4V,,,,,,,
,,,ACO:A:306,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2BEI,,,,,,,
,,,ACO:A:306,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6YUG,,,,,,,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,G6P:A:202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2B4B,,,,,,,
,,,B33:B:173,valid,,,,,CCCNCCCNCCCNCC,
,,,COA:A:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:172,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2JEV,,,,,,,
,,,NHQ:A:1171,valid,Ki,=,6,nM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O,
,,,NHQ:B:1171,valid,Ki,=,6,nM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCNCCCCNCCCN)O,
,,3BJ7,,,,,,,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2B58,,,,,,,
,,,COA:A:172,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2FXF,,,,,,,
,,,ACO:A:1000,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2000,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,2B3V,,,,,,,
,,,ACO:A:172,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3BJ8,,,,,,,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SPM:C:500,valid,,,,,C(CCNCCCN)CNCCCN,
,Family. Representative Entry is ,2B4D,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
2.3.1.128,,,,,,,,,
,Family. Representative Entry is ,2CNT,,,,,,,
,,,COA:A:1152,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1152,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1152,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1152,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:1153,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1153,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1153,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1153,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1154,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CNS,,,,,,,
,,,ACO:A:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:300,invalid,,,,,[O-]P(=O)([O-])[O-],
5.4.99.-,,,,,,,,,
,Family. Representative Entry is ,1TKU,,,,,,,
,,,5RP:A:701,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:801,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,2RIU,,,,,,,
,,,5RP:A:701,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4R3U,,,,,,,
,,,3KK:B:802,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O,
,,,3KK:A:802,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(C)(C)O)O,
,,,B12:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:D:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,5AD:A:803,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,3HC:A:801,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,3HC:B:801,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6F9Q,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1SNN,,,,,,,
,,,5RP:A:401,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,1PVY,,,,,,,
,,,5RP:A:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:601,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:703,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
2.1.1.220,,,,,,,,,
,Family. Representative Entry is ,5ERG,,,,,,,
,,,SAM:B:401,valid,Kd,=,44.33,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
3.4.13.9,,,,,,,,,
,Family. Representative Entry is ,5M4Q,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,PRO:B:504,valid,Ki,=,0.31,mM,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:504,valid,Ki,=,0.31,mM,C1C[C@H](NC1)C(=O)O,
,,,OH:B:501,invalid,,,,,[OH-],
,,,OH:A:501,invalid,,,,,[OH-],
,,6SRF,,,,,,,
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,GLY PRO:A:504,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,5MC1,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,NA:A:508,Part of Protein,,,,,[Na+],
,,,NA:B:500,Part of Protein,,,,,[Na+],
,,6H2Q,,,,,,,
,,,LEU PRO:A:503,valid,,,,,O=C(C(N)CC(C)C)N1C(C(=O)[O-])CCC1,
,,,LEU PRO:A:506,valid,,,,,O=C(C(N)CC(C)C)N1C(C(=O)[O-])CCC1,
,,,LEU PRO:B:503,valid,,,,,O=C(C(N)CC(C)C)N1C(C(=O)[O-])CCC1,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PRO LEU:A:507,valid,,,,,,
,,5MBZ,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:A:508,Part of Protein,,,,,[Na+],
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,6SRE,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,GLY PRO:B:508,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:A:507,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MH2:B:502,invalid,,,,,O[Mn+2],
,,,MH2:A:506,invalid,,,,,O[Mn+2],
,,5M4J,,,,,,,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,NA:A:499,Part of Protein,,,,,[Na+],
,,,NA:B:500,Part of Protein,,,,,[Na+],
,,,NA:B:499,Part of Protein,,,,,[Na+],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,5MC3,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,5MC4,,,,,,,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,5MC2,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,NA:B:500,Part of Protein,,,,,[Na+],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,5MBY,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GLY:A:503,valid,,,,,C(C(=O)O)N,
,,,GLY:B:503,valid,,,,,C(C(=O)O)N,
,,,PRO:A:504,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:504,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,5MC5,,,,,,,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,5M4L,,,,,,,
,,,LEU PRO:A:503,valid,,,,,O=C(C(N)CC(C)C)N1C(C(=O)[O-])CCC1,
,,,LEU PRO:B:503,valid,,,,,O=C(C(N)CC(C)C)N1C(C(=O)[O-])CCC1,
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:499,Part of Protein,,,,,[Mg+2],
,,,MG:A:499,Part of Protein,,,,,[Mg+2],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,NA:B:509,Part of Protein,,,,,[Na+],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,,5MC0,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GLY PRO:A:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,GLY PRO:B:503,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:499,Part of Protein,,,,,[Mn+2],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:499,Part of Protein,,,,,[Mn+2],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,NA:B:515,Part of Protein,,,,,[Na+],
,,,NA:A:511,Part of Protein,,,,,[Na+],
,,,OH:A:501,invalid,,,,,[OH-],
,,,OH:B:501,invalid,,,,,[OH-],
,Family. Representative Entry is ,4ZWP,,,,,,,
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,invalid,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,BA:A:503,invalid,,,,,[Ba+2],
,,,BA:A:507,invalid,,,,,[Ba+2],
,,,BA:A:506,Part of Protein,,,,,[Ba+2],
,,,M44:B:504,valid,,,,,CC(C)NP(=O)(NC(C)C)O,
,,,M44:A:508,valid,,,,,CC(C)NP(=O)(NC(C)C)O,
,,4ZWO,,,,,,,
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOA:B:504,valid,,,,,C(C(=O)O)O,
,,,GOA:A:506,valid,,,,,C(C(=O)O)O,
,,4ZWU,,,,,,,
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,BA:A:503,Part of Protein,,,,,[Ba+2],
,,,BA:B:506,Part of Protein,,,,,[Ba+2],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOA:B:501,valid,,,,,C(C(=O)O)O,
,Family. Representative Entry is ,3L24,,,,,,,
,,,GOA:A:521,valid,,,,,C(C(=O)O)O,
,,,GOA:B:522,valid,,,,,C(C(=O)O)O,
,,,GOA:C:521,valid,,,,,C(C(=O)O)O,
,,,MN:A:518,Part of Protein,,,,,[Mn+2],
,,,MN:A:519,Part of Protein,,,,,[Mn+2],
,,,MN:A:520,Part of Protein,,,,,[Mn+2],
,,,MN:B:518,Part of Protein,,,,,[Mn+2],
,,,MN:B:519,Part of Protein,,,,,[Mn+2],
,,,MN:B:520,Part of Protein,,,,,[Mn+2],
,,,MN:B:521,Part of Protein,,,,,[Mn+2],
,,,MN:C:518,Part of Protein,,,,,[Mn+2],
,,,MN:C:519,Part of Protein,,,,,[Mn+2],
,,,MN:C:520,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5FCF,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,GLY GLY GLY:C:1,valid,,,,,O=C(NCC(=O)NCC=O)C[NH3+],
,,5FCH,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,GLY GLY GLY:C:1,valid,,,,,O=C(NCC(=O)NCC=O)C[NH3+],
1.18.1.1,,,,,,,,,
,Family. Representative Entry is ,3KLJ,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
4.2.99.8,,,,,,,,,
,Family. Representative Entry is ,1D6S,,,,,,,
,,,MET PLP:A:401,valid,Kd,=,78,uM,,
,,,PLP MET:B:502,valid,Kd,=,78,uM,,
1.6.6.-,,,,,,,,,
,Family. Representative Entry is ,1KQB,,,,,,,
,,,BEZ:A:524,valid,Ki,=,0.1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:525,valid,Ki,=,0.1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:C:522,valid,Ki,=,0.1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:D:523,valid,Ki,=,0.1,mM,c1ccc(cc1)C(=O)O,
,,,FMN:A:518,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:519,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:520,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:521,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1KQD,,,,,,,
,,,FMN:A:518,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:519,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:520,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:521,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1KQC,,,,,,,
,,,ACT:A:522,invalid,,,,,CC(=O)[O-],
,,,ACT:B:523,invalid,,,,,CC(=O)[O-],
,,,ACT:C:525,invalid,,,,,CC(=O)[O-],
,,,ACT:D:524,invalid,,,,,CC(=O)[O-],
,,,FMN:A:518,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:519,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:520,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:521,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1NEC,,,,,,,
,,,FMN:A:217,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:219,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:220,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.4.21.91,,,,,,,,,
,Family. Representative Entry is ,6L4Z,,,,,,,
,,,E5X:H:201,valid,,,,,c1cc(ccc1CO)C(=O)O,
,Family. Representative Entry is ,6Y3B,,,,,,,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,O7N:B:202,valid,,,,,[H]/N=C(/N)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)CCCCN)CCCCN,
,,6L50,,,,,,,
,,,E60:H:201,valid,,,,,C1C(=O)NC(=S)S1,
,,6KK2,,,,,,,
,,,D9U:B:201,valid,,,,,[H]/N=C(N)/N[C@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN,
,,5ZOB,,,,,,,
,,,2UE ARG ARG ARG 00S:J:1,valid,,,,,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,2UE ARG ARG ARG 00S:I:1,valid,,,,,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,5H4I,,,,,,,
,,,7HQ:B:201,valid,,,,,c1ccc2c(c1)ncn2CO,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,6KK4,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,DE0:B:201,valid,,,,,[H]/N=C(/N)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CCNC1=O)CCCCN)CCCCN,
,,6KK5,,,,,,,
,,,DE6:B:201,valid,,,,,[H]/N=C(/N)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@@H](NC1=O)C)CCCCN)CCCCN,
,,5ZMQ,,,,,,,
,,,PAC DLY DLY DAR:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)Cc1ccccc1)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N,
,,,PAC DLY DLY DAR:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)Cc1ccccc1)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N,
,,6JPW,,,,,,,
,,,SER C0F GLY LYS ARG LYS:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]C(C2[NH2+]CCC(CC(NC(=O)C([NH3+])CO)C(=O)N)C2)SC1)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,,,SER C0F GLY LYS ARG LYS:L:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]C(C2[NH2+]CCC(CC(NC(=O)C([NH3+])CO)C(=O)N)C2)SC1)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,,,SER C0F GLY LYS ARG LYS:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]C(C2[NH2+]CCC(CC(NC(=O)C([NH3+])CO)C(=O)N)C2)SC1)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,,6KK6,,,,,,,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,DV0:B:202,valid,,,,,[H]/N=C(/N)N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)[C@H](NC1=O)C)CCCCN)CCCCN,
,,5ZMS,,,,,,,
,,,2UE DLY LYS DAR:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N,
,,,2UE DLY LYS DAR:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N,
,Family. Representative Entry is ,5Y6N,,,,,,,
,,,ADP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,6ADY,,,,,,,
,,,ADP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,5GJC,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,ATP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5Y6M,,,,,,,
,,,ADP AF3:A:702,valid,,,,,,
,,,ADP:A:702,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,AF3:A:703,invalid,,,,,F[Al](F)F,
,,6ADX,,,,,,,
,,,ADP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3U1I,,,,,,,
,,,BEZ NLE LYS ARG OAR:E:4,valid,Ki,=,5.6,uM,O=C(NC(C=O)CCC[NH+]=C(N)N)C(N)CCCNC(=[NH2+])N,
,,,BEZ NLE LYS ARG OAR:F:1,valid,Ki,=,5.6,uM,O=C(NC(C=O)CCC[NH+]=C(N)N)C(N)CCCNC(=[NH2+])N,
,,,SO4:F:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5CUQ,,,,,,,
,,,NSC:A:301,valid,ic50,=,7.7,uM,Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N,
,,,NSC:B:301,valid,ic50,=,7.7,uM,Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N,
,,5E9Q,,,,,,,
,,,5KY:A:302,valid,,,,,Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)C(F)(F)F)C(=O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5EHG,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5O0:A:302,valid,,,,,c1cc(cc(c1)S(=O)(=O)Oc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl,
,,5EKX,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,2CQ:A:302,valid,,,,,Cc1cc(c(cc1Cl)N)N,
,,4R8S,,,,,,,
,,,SFG:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,4CTJ,,,,,,,
,,,NA:A:1265,Part of Protein,,,,,[Na+],
,,,3A9:A:1264,valid,,,,,c1cc2c(cc1C(=O)O)CCO2,
,,,SAM:A:1263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:1263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4CTK,,,,,,,
,,,NA:A:1265,invalid,,,,,[Na+],
,,,SAM:A:1263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:1263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,DMS:A:1267,invalid,,,,,CS(=O)C,
,,,SVN:A:1266,valid,,,,,c1cnc2c(n1)c(cs2)N,
,,,SVN:A:1264,valid,,,,,c1cnc2c(n1)c(cs2)N,
,,5EC8,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5LP:A:302,valid,,,,,Cc1ccc(c(c1)NC(=O)Nc2ccc(cc2N)Cl)C(=O)O,
,,5EIW,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,X0V:A:302,valid,,,,,c1cc(c(cc1C(F)(F)F)N)N,
,,3P8Z,,,,,,,
,,,36A:A:263,valid,,,,,c1cc(cc(c1)Cl)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[C@@H](C(=O)O)N)O)O,
,,,SAH:C:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5EIF,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,4M0:A:302,valid,,,,,Cc1ccc(c(c1)N)C(=O)O,
,,5EHI,,,,,,,
,,,SAM:A:4001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5O3:A:4002,valid,,,,,c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)NC(=O)Nc3ccc(cc3N)Cl,
,,3P97,,,,,,,
,,,SAM:A:263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:263,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2JLR,,,,,,,
,,,ANP:A:1620,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:1619,Part of Protein,,,,,[Mn+2],
,,2JLS,,,,,,,
,,,ADP:A:1620,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BME:A:1621,invalid,,,,,C(CS)O,
,,,BME:A:1622,invalid,,,,,C(CS)O,
,,,CL:A:1623,invalid,,,,,[Cl-],
,,,GOL:A:1624,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1619,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6KK3,,,,,,,
,,,DUU:B:201,valid,,,,,[H]/N=C(N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc2ccc(cc2)CNC(=O)CCCNC1=O)CCCCN)CCCCN,
,Family. Representative Entry is ,2WHX,,,,,,,
,,,ADP:A:1619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1621,invalid,,,,,[Cl-],
,,,CL:A:1622,invalid,,,,,[Cl-],
,,,MN:A:1620,Part of Protein,,,,,[Mn+2],
1.3.1.56,,,,,,,,,
,Family. Representative Entry is ,3ZV6,,,,,,,
,,,4HB:A:1277,valid,,,,,c1cc(ccc1c2ccc(cc2)O)O,
,,,NAD:A:1276,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1276,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2Y99,,,,,,,
,,,NAD:A:1276,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1276,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3ZV5,,,,,,,
,,,BPY:A:1278,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,,NAD:A:1277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1277,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.4.24.71,,,,,,,,,
,Family. Representative Entry is ,3DWB,,,,,,,
,,,5HD:A:816,invalid,,,,,C(CCO)CC(CCCCO)CCO,
,,,RDF:A:817,valid,ic50,=,0.65,uM,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,ZN:A:771,Part of Protein,,,,,[Zn+2],
1.3.1.9,,,,,,,,,
,Family. Representative Entry is ,1QG6,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:601,valid,Kd,=,22,pM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:602,valid,Kd,=,22,pM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:603,valid,Kd,=,22,pM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:604,valid,Kd,=,22,pM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,3PJD,,,,,,,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:801,valid,ic50,=,380,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:802,valid,ic50,=,380,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1QSG,,,,,,,
,,,GLC:A:1303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1306,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:1309,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:D:1312,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:E:1315,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:F:1318,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:G:1321,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:H:1324,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAD:A:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1313,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1319,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1322,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:1302,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:1305,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:1308,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:1311,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:E:1314,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:F:1317,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:G:1320,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:H:1323,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1DFG,,,,,,,
,,,NAD NDT:A:501,valid,,,,,S(=O)(=O)(N1[B-](OC2C(O)C(COP(=O)(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])[O-])OC2[n+]2cc(C(=O)N)ccc2)(O)c2c(cccc2)C=N1)c1ccc(C)cc1,
,,,NAD NDT:B:501,valid,,,,,S(=O)(=O)(N1[B-](OC2C(O)C(COP(=O)(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])[O-])OC2[n+]2cc(C(=O)N)ccc2)(O)c2c(cccc2)C=N1)c1ccc(C)cc1,
,,1I30,,,,,,,
,,,826:A:302,valid,,,,,c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O,
,,,826:B:1302,valid,,,,,c1ccc2c(c1)c3c(n2Cc4ccc(cc4)O)CN(CC3)C(=O)c5ccc(cc5)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1DFH,,,,,,,
,,,NAD TDB:A:501,valid,,,,,S(=O)(=O)(CCC)n1b(O)c2c(sc(C)c2)cn1.P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,,NAD TDB:B:501,valid,,,,,S(=O)(=O)(CCC)n1b(O)c2c(sc(C)c2)cn1.P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,4CV2,,,,,,,
,,,NAI:A:1258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,PT6:A:1259,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:B:1259,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,4D46,,,,,,,
,,,NAD:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,J47:A:1259,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:B:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,1C14,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:502,valid,ic50,=,120,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:1502,valid,ic50,=,120,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1LXC,,,,,,,
,,,AYM:A:302,valid,ic50,=,0.37,uM,Cn1c2ccccc2cc1CN(C)C(=O)C=Cc3ccc(nc3)N,
,,,AYM:B:402,valid,ic50,=,0.37,uM,Cn1c2ccccc2cc1CN(C)C(=O)C=Cc3ccc(nc3)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1MFP,,,,,,,
,,,IDN:A:302,valid,ic50,=,0.07,uM,Cn1cc(c2c1cccc2)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4,
,,,IDN:B:1302,valid,ic50,=,0.07,uM,Cn1cc(c2c1cccc2)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:B:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CV3,,,,,,,
,,,NAI:A:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,VT4:A:1258,valid,Ki,=,7,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C,
,,,VT4:B:1258,valid,Ki,=,7,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccccc2C,
,,1DFI,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1D8A,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:502,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:504,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,3PJE,,,,,,,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:801,valid,ic50,=,470,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:802,valid,ic50,=,470,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1LX6,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZAM:A:502,valid,,,,,CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C,
,,,ZAM:B:504,valid,,,,,CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C,
,,3PJF,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:502,valid,ic50,=,68500,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:504,valid,ic50,=,68500,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,Family. Representative Entry is ,4OHU,,,,,,,
,,,2TK:B:301,valid,Ki,=,0.2,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br,
,,,2TK:A:301,valid,Ki,=,0.2,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br,
,,,2TK:D:301,valid,Ki,=,0.2,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br,
,,,2TK:C:301,valid,Ki,=,0.2,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Br,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6SQB,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,LSQ:A:302,valid,,,,,c1cc(cc(c1)Cl)CCC(=O)O,
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6SQ5,,,,,,,
,,,LRW:A:302,valid,ic50,>,1000,uM,c1cc(cc(c1)C(F)(F)F)/C=C/C(=O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5CPB,,,,,,,
,,,NAD:E:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5MTR,,,,,,,
,,,XT0:B:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:A:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:F:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:D:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:E:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:C:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:H:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,XT0:G:302,valid,Ki,=,350,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CCCC4,
,,,NAD:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,4BGI,,,,,,,
,,,I4I:A:1270,valid,,,,,C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O,
,,,I4I:F:1270,valid,,,,,C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O,
,,,I4I:B:1270,valid,,,,,C[C@@H]1[C@@H]([C@@H](NC(=O)[C@H]([C@H](OC(=O)[C@H](OC1=O)C(C)C)C)NC(=O)c2c(cccn2)O)Cc3cccnc3)O,
,,,NAD:E:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4OIM,,,,,,,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:310,invalid,,,,,CC(=O)[O-],
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,JUS:A:302,valid,Ki,=,2.14,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2IDZ,,,,,,,
,,,ZID:A:300,valid,Kd,<,0.4,nM,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,2AQH,,,,,,,
,,,NAI:A:270,valid,Kd,=,14.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6EP8,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,MPD:A:312,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4BII,,,,,,,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYW:D:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:A:1271,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:B:1271,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,3FNG,,,,,,,
,,,JPL:A:400,valid,ic50,=,110,nM,c1cc(c(cc1CC2CCCCC2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2H9I,,,,,,,
,,,EAD:A:300,valid,,,,,CCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,5OIC,,,,,,,
,,,9VQ:A:302,valid,ic50,<,1,mM,c1cnn(c1)Cc2ccc(cc2)CO,
,,,ETX:A:304,invalid,,,,,CCOCCO,
,,,ETX:A:303,invalid,,,,,CCOCCO,
,,,ETX:A:305,invalid,,,,,CCOCCO,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1ENY,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2NSD,,,,,,,
,,,4PI:A:400,valid,ic50,=,5.16,uM,Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3,
,,,4PI:B:400,valid,ic50,=,5.16,uM,Cc1ccc(cc1)C(=O)N2CCC(CC2)Cc3ccccc3,
,,,NAD:A:300,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2X23,,,,,,,
,,,DMS:B:1272,invalid,,,,,CS(=O)C,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCU:A:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:B:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:E:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:G:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,5G0U,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9CV:A:302,valid,ic50,=,0.297,uM,CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F,
,,,9CV:D:302,valid,ic50,=,0.297,uM,CNC(=O)c1cc(c(nc1)NC2CCN(CC2)c3ccccn3)NCc4ccc(c(c4)Oc5ccccc5)F,
,,4TRN,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,5OIM,,,,,,,
,,,ETX:A:304,invalid,,,,,CCOCCO,
,,,ETX:A:303,invalid,,,,,CCOCCO,
,,,ETX:A:305,invalid,,,,,CCOCCO,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9VZ:A:301,valid,ic50,=,790,uM,CCOC(=O)[C@@H]1CCc2c(sc(n2)C)C1,
,,2X22,,,,,,,
,,,DMS:A:1272,invalid,,,,,CS(=O)C,
,,,DMS:A:1273,invalid,,,,,CS(=O)C,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCU:A:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:B:1271,valid,Ki,=,7.8,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,6SQD,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,LT8:A:302,valid,,,,,c1ccc(c(c1)C(=O)O)n2cccn2,
,,6SQ9,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,BZJ:A:302,valid,,,,,c1ccc2cc(c(cc2c1)C(=O)O)O,
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4DQU,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2IE0,,,,,,,
,,,ZID:A:300,valid,,,,,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,4U0J,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,566:A:401,valid,ic50,=,10.66,uM,c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3,
,,4COD,,,,,,,
,,,NAD:F:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,KV1:H:1270,valid,ic50,=,34,nM,CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC,
,,,KV1:D:1270,valid,ic50,=,34,nM,CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC,
,,,KV1:B:1270,valid,ic50,=,34,nM,CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC,
,,,KV1:F:1271,valid,ic50,=,34,nM,CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c3coc4c3cccc4)C(=O)NCC,
,,5COQ,,,,,,,
,,,TCU:A:301,valid,Ki,=,427.5,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:C:302,valid,Ki,=,427.5,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:B:301,valid,Ki,=,427.5,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:D:301,valid,Ki,=,427.5,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:303,Part of Protein,,,,,[Na+],
,,6SQL,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,LTK:A:302,valid,ic50,=,310,nM,Cc1c2cc(ccc2sc1S(=O)(=O)Nc3cccc(c3)CN)Cl,
,,2AQ8,,,,,,,
,,,LYS:A:447,invalid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,NAI:A:270,valid,Kd,=,2.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4TZK,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,641:A:501,valid,ic50,=,0.39,uM,c1c(cc(cc1Cl)Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3,
,,4QXM,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,713:A:302,valid,ic50,=,0.05,uM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C,
,,,713:C:302,valid,ic50,=,0.05,uM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)C,
,,4BGE,,,,,,,
,,,PYW:D:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:A:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:C:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:B:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:F:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,,PYW:E:1270,valid,,,,,CC/C(=C1/C(=O)O[C@@H]([C@@H](C(=O)N[C@H]([C@H]([C@H](C(=O)O1)C)O)Cc2cccnc2)NC(=O)c3c(cccn3)O)C)/C,
,,2PR2,,,,,,,
,,,DG1:A:300,valid,Ki,=,130,nM,c1cnccc1C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O,
,,5OIR,,,,,,,
,,,9W8:A:302,valid,Kd,=,6.3,uM,CC1=CC(=O)C(=C(N1)C)C2CCN(CC2)c3ncccn3,
,,,ETX:A:304,invalid,,,,,CCOCCO,
,,,ETX:A:306,invalid,,,,,CCOCCO,
,,,ETX:A:303,invalid,,,,,CCOCCO,
,,,ETX:A:305,invalid,,,,,CCOCCO,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2NTJ,,,,,,,
,,,P1H:A:300,valid,Ki,=,2,nM,CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,P1H:B:400,valid,Ki,=,2,nM,CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,5G0W,,,,,,,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:1271,Part of Protein,,,,,[Mg+2],
,,,MG:D:1271,Part of Protein,,,,,[Mg+2],
,,,MG:D:1272,Part of Protein,,,,,[Mg+2],
,,,9NU:C:1271,valid,ic50,=,16.3,uM,C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C,
,,,9NU:B:1271,valid,ic50,=,16.3,uM,C[C@H]([C@@H](C(=O)N[C@H]1C[C@H](N(C1)C(=O)c2ccccc2)C(=O)NC)NC(=O)c3ccc(cc3)Cn4cccn4)OC(C)(C)C,
,,5MTP,,,,,,,
,,,NA:F:303,Part of Protein,,,,,[Na+],
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,NA:D:303,Part of Protein,,,,,[Na+],
,,,NAD:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,53K:F:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:G:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:B:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:E:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:D:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:C:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:H:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,53K:A:302,valid,Ki,=,610,nM,Cc1ccccc1Oc2ccc(cc2O)Cn3cc(nn3)c4ccccc4,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,4TRJ,,,,,,,
,,,665:A:501,valid,ic50,=,0.89,uM,c1cc(cc(c1)Br)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3FNF,,,,,,,
,,,JPM:A:400,valid,ic50,=,51,nM,c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPM:B:410,valid,ic50,=,51,nM,c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPM:C:420,valid,ic50,=,51,nM,c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPM:D:430,valid,ic50,=,51,nM,c1ccc(cc1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:320,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4BQR,,,,,,,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,IBH:B:1271,valid,ic50,=,0.2,uM,Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O,
,,,IBH:D:1271,valid,ic50,=,0.2,uM,Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O,
,,,IBH:A:1271,valid,ic50,=,0.2,uM,Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O,
,,,IBH:C:1271,valid,ic50,=,0.2,uM,Cc1csc(n1)[C@@](C)(C2=NN/C(=N/C(=O)Cc3c(cccc3F)F)/S2)O,
,,5VRM,,,,,,,
,,,9JJ:C:300,valid,,,,,B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O,
,,,9JJ:B:300,valid,,,,,B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O,
,,,9JJ:A:300,valid,,,,,B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O,
,,,9JJ:D:300,valid,,,,,B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O,
,,4BQP,,,,,,,
,,,NAD:F:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,VMY:E:1271,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,VMY:A:1272,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,VMY:F:1271,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,VMY:D:1271,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,VMY:B:1271,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,VMY:C:1271,valid,Kd,=,13.7,nM,Cc1csc(n1)[C@@](C)(c2nnc(s2)Nc3ccn(n3)Cc4c(cccc4F)F)O,
,,,NA:A:1271,Part of Protein,,,,,[Na+],
,,5OIS,,,,,,,
,,,9WK:D:301,valid,ic50,=,500,nM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N,
,,,9WK:B:301,valid,ic50,=,500,nM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N,
,,,9WK:F:301,valid,ic50,=,500,nM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N,
,,,9WK:H:301,valid,ic50,=,500,nM,Cc1cc(n(n1)Cc2ccc(cc2)C(=O)NCc3ccc(cc3Cl)F)N,
,,,NAD:D:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6SQ7,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9FN:A:302,valid,,,,,c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O,
,,4OXK,,,,,,,
,,,1S5:C:301,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,1S5:A:301,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,1S5:B:302,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,1S5:D:301,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,2NV:B:303,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:B:304,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,5UGU,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,XTV:A:302,valid,Ki,=,370,nM,c1ccc(c(c1)C#N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4,
,,5OIP,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9WE:A:302,valid,ic50,=,79,uM,c1cc(cnc1)CNC(=O)NC2CCN(CC2)c3ncccn3,
,,4OYR,,,,,,,
,,,1US:C:302,valid,Ki,=,0.96,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl,
,,,1US:B:302,valid,Ki,=,0.96,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl,
,,,1US:A:302,valid,Ki,=,0.96,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl,
,,,1US:D:302,valid,Ki,=,0.96,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2Cl,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4DTI,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3OF2,,,,,,,
,,,MPD:A:270,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:4345,valid,Kd,=,4.7,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3OEY,,,,,,,
,,,MPD:A:270,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:4345,valid,Kd,=,3.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2AQI,,,,,,,
,,,NAI:A:270,valid,Kd,=,32,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5G0S,,,,,,,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EEH:C:1271,valid,ic50,=,0.065,uM,Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC,
,,,EEH:B:1271,valid,ic50,=,0.065,uM,Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CCN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC,
,,2NV6,,,,,,,
,,,ZID:A:300,valid,ic50,=,323,nM,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,4U0K,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,744:A:501,valid,ic50,=,0.97,uM,Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl,
,,4DRE,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4TRO,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:304,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NAD ZID:A:301,valid,Ki,=,0.75,nM,,
,,2AQK,,,,,,,
,,,NAI:A:270,valid,Kd,=,23,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5OIF,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9W5:A:302,valid,ic50,=,500,uM,Cc1cc(n(n1)Cc2ccccc2)N,
,,,9W5:B:302,valid,ic50,=,500,uM,Cc1cc(n(n1)Cc2ccccc2)N,
,,5G0V,,,,,,,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:1271,Part of Protein,,,,,[Mg+2],
,,,JDD:B:1271,valid,ic50,=,5.917,uM,CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4,
,,5G0T,,,,,,,
,,,NAD:C:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,S72:D:1271,valid,ic50,=,0.057,uM,Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC,
,,,S72:A:1271,valid,ic50,=,0.057,uM,Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC,
,,,S72:C:1271,valid,ic50,=,0.057,uM,Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC,
,,,S72:B:1271,valid,ic50,=,0.057,uM,Cc1c(nnn1Cc2ccccc2)C(=O)NC3CCC(CC3)CC(=O)N(Cc4ccc(cc4)F)CC(=O)NC,
,,2NTV,,,,,,,
,,,P1H:A:300,valid,Ki,=,11,nM,CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,P1H:B:400,valid,Ki,=,11,nM,CCCc1cc(ccn1)C(=O)[C@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,4OXY,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,1TN:A:302,valid,Ki,=,129,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-],
,,,1TN:D:302,valid,Ki,=,129,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-],
,,,1TN:B:302,valid,Ki,=,129,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-],
,,,1TN:C:302,valid,Ki,=,129,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-],
,,2IEB,,,,,,,
,,,ZID:A:300,valid,,,,,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,3FNE,,,,,,,
,,,8PC:A:400,valid,ic50,=,29,nM,c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,8PC:B:410,valid,ic50,=,29,nM,c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,8PC:C:420,valid,ic50,=,29,nM,c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,8PC:D:430,valid,ic50,=,29,nM,c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:320,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2B35,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:312,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:300,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:302,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:304,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:306,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:E:309,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:F:311,valid,Ki,=,0.22,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,4TZT,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,468:A:501,valid,ic50,=,23.12,uM,Cc1c(cccc1Cl)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3,
,,4OXN,,,,,,,
,,,2NV:B:308,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:A:306,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:A:304,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:A:305,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:B:305,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:B:306,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:A:307,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,2NV:B:307,invalid,,,,,CCOCCOCCOCCOCCOC[C@@H](C)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,1S5:A:302,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,1S5:B:302,valid,Ki,=,40,nM,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,,EPE:B:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5CP8,,,,,,,
,,,TCU:A:301,valid,Ki,=,1570.6,nM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ETE:A:302,invalid,,,,,COCCOCCOCCOCCO,
,,3OEW,,,,,,,
,,,MPD:A:270,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:4345,valid,Kd,=,1.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6R9W,,,,,,,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,JVZ:A:301,valid,ic50,=,0.22,uM,c1ccc2c(c1)ncn2C[C@@H](COc3ccc4c(c3)CCC4)O,
,Family. Representative Entry is ,1D7O,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:502,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1CWU,,,,,,,
,,,NAD TDB:A:501,valid,,,,,S(=O)(=O)(CCC)n1b(O)c2c(sc(C)c2)cn1.P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,,NAD TDB:B:503,valid,,,,,S(=O)(=O)(CCC)n1b(O)c2c(sc(C)c2)cn1.P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,1ENO,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6VLY,,,,,,,
,,,NAI:A:302,valid,Kd,=,225,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:304,valid,Kd,=,225,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:303,valid,Kd,=,225,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:303,valid,Kd,=,225,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,CL:B:305,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5I7S,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,E9P:A:302,valid,Ki,=,32,nM,CCc1ccc(c(c1)O)Oc2ccccc2,
,,4BKU,,,,,,,
,,,NAI:A:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,1S5:A:1260,valid,,,,,CCCCCCC1=CC(=O)C(=CN1C)Oc2ccc(cc2C)N,
,,5I8W,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,69H:A:302,valid,Ki,=,55,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O,
,,5I9M,,,,,,,
,,,69K:A:302,valid,Ki,=,55,nM,CCc1cc(c(cc1F)Oc2cccnc2C)O,
,,,69K:C:302,valid,Ki,=,55,nM,CCc1cc(c(cc1F)Oc2cccnc2C)O,
,,,69K:B:302,valid,Ki,=,55,nM,CCc1cc(c(cc1F)Oc2cccnc2C)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5I8Z,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,JA1:A:302,valid,Ki,=,158,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,5I9L,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,9W7:A:302,valid,Ki,=,153,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,Family. Representative Entry is ,5GVH,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2Z6J,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TUI:A:501,valid,Ki,<,29,nM,c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O,
,,,TUI:B:502,valid,Ki,<,29,nM,c1ccnc(c1)Sc2cnc(s2)NC(=O)NCc3[nH]cc(n3)c4ccc(cc4)OCC(=O)O,
,Family. Representative Entry is ,2FOI,,,,,,,
,,,JPA:A:500,valid,ic50,=,440,nM,Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPA:B:501,valid,ic50,=,440,nM,Cc1ccccc1c2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:450,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:451,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1V35,,,,,,,
,,,NAI:A:501,valid,Ki,=,96,pM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:601,valid,Ki,=,96,pM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3LT2,,,,,,,
,,,FT3:A:502,valid,Ki,=,0.38,uM,c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl,
,,,FT3:B:602,valid,Ki,=,0.38,uM,c1cc(c(cc1CO)O)Oc2ccc(cc2Cl)Cl,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2OOS,,,,,,,
,,,JPJ:A:500,valid,ic50,=,76,nM,c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPJ:B:500,valid,ic50,=,76,nM,c1ccc(cc1)CCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:450,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:450,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3LT4,,,,,,,
,,,FB4:A:502,valid,Ki,=,0.1,uM,c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl,
,,,FB4:B:602,valid,Ki,=,0.1,uM,c1cc(c(cc1Cl)N)Oc2ccc(cc2O)Cl,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3AM4,,,,,,,
,,,FT1:A:802,valid,ic50,=,97,nM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,,FT1:B:902,valid,ic50,=,97,nM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,,NAD:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2O2Y,,,,,,,
,,,CL:A:710,invalid,,,,,[Cl-],
,,,CL:B:711,invalid,,,,,[Cl-],
,,,CL:C:712,invalid,,,,,[Cl-],
,,,CL:D:709,invalid,,,,,[Cl-],
,,,NAD:A:650,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1450,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:D:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TCL:A:705,valid,Ki,=,0.4,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:706,valid,Ki,=,0.4,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:708,valid,Ki,=,0.4,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:707,valid,Ki,=,0.4,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1VRW,,,,,,,
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1UH5,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:502,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:602,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,3AM3,,,,,,,
,,,NAD:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:802,valid,Ki,=,28,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:902,valid,Ki,=,28,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,3LT1,,,,,,,
,,,FT2:A:502,valid,Ki,=,0.32,uM,c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl,
,,,FT2:B:602,valid,Ki,=,0.32,uM,c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4IGE,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CHJ:B:501,valid,ic50,=,0.25,uM,CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl,
,,,CHJ:A:501,valid,ic50,=,0.25,uM,CC1=CC(=O)Oc2c1ccc(c2)Oc3ccc(cc3O)Cl,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,2OL4,,,,,,,
,,,JPN:A:700,valid,ic50,=,440,nM,c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,JPN:B:701,valid,ic50,=,440,nM,c1ccc(cc1)CCCc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl,
,,,NAD:A:450,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:451,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3LT0,,,,,,,
,,,FT1:A:502,valid,Ki,=,0.18,uM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,,FT1:B:602,valid,Ki,=,0.18,uM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3AM5,,,,,,,
,,,NAD:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:802,valid,Ki,=,38,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:902,valid,Ki,=,38,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,4IGF,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,CHV:B:501,valid,ic50,=,6,uM,c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl,
,,,CHV:A:501,valid,ic50,=,6,uM,c1cc2c(cc1O)OC(=O)C(=C2)Oc3ccc(cc3O)Cl,
,Family. Representative Entry is ,5CG1,,,,,,,
,,,NAD BBN:B:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O[B-]2(O)N(C(=O)N)N=Cc3c2cccc3)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,,NAD BBN:A:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O[B-]2(O)N(C(=O)N)N=Cc3c2cccc3)C([n+]2cc(C(=O)N)ccc2)O1)[O-],
,,5CG2,,,,,,,
,,,NAD CJ3:A:500,valid,,,,,S=C(N)N1[B-](OC2C(O)C(COP(=O)(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])[O-])OC2[n+]2cc(C(=O)N)ccc2)(O)c2c(cccc2)C=N1,
,,,NAD CJ3:B:500,valid,,,,,S=C(N)N1[B-](OC2C(O)C(COP(=O)(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])[O-])OC2[n+]2cc(C(=O)N)ccc2)(O)c2c(cccc2)C=N1,
,Family. Representative Entry is ,2Z6I,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPD:A:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,3OJF,,,,,,,
,,,IMJ:A:801,valid,ic50,=,0.06,uM,Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4,
,,,IMJ:B:803,valid,ic50,=,0.06,uM,Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4,
,,,IMJ:C:804,valid,ic50,=,0.06,uM,Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4,
,,,IMJ:D:802,valid,ic50,=,0.06,uM,Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5YCS,,,,,,,
,,,TCL:C:302,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:302,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:302,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:A:502,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QIO,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:601,valid,ic50,=,3.6,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:602,valid,ic50,=,3.6,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:603,valid,ic50,=,3.6,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:604,valid,ic50,=,3.6,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,5YCR,,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3OIG,,,,,,,
,,,IMJ:A:301,valid,,,,,Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4,
,,,NAD:A:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4O1M,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1NNU,,,,,,,
,,,NAD:A:450,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCT:A:500,valid,Ki,=,0.15,uM,c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O,
,,,TCT:B:600,valid,Ki,=,0.15,uM,c1cc(cc2c1cc(cc2)Oc3ccc(cc3O)Cl)O,
,,2NQ8,,,,,,,
,,,ZID:A:550,valid,ic50,=,320,nM,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,ZID:B:450,valid,ic50,=,320,nM,c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,1NHG,,,,,,,
,,,NAD:A:450,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:500,valid,Ki,=,0.05,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:600,valid,Ki,=,0.05,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,1NHW,,,,,,,
,,,NAD:A:450,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCC:A:600,valid,Ki,=,14.3,uM,c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O,
,,,TCC:B:700,valid,Ki,=,14.3,uM,c1ccc(c(c1)Nc2ccc(cc2Cl)Cl)O,
,Family. Representative Entry is ,2PD4,,,,,,,
,,,DCN:A:2414,valid,,,,,c1cc(ccc1Oc2ccc(cc2O)Cl)Cl,
,,,DCN:B:3414,valid,,,,,c1cc(ccc1Oc2ccc(cc2O)Cl)Cl,
,,,DCN:C:4414,valid,,,,,c1cc(ccc1Oc2ccc(cc2O)Cl)Cl,
,,,DCN:D:5414,valid,,,,,c1cc(ccc1Oc2ccc(cc2O)Cl)Cl,
,,,NAD:A:1780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2PD3,,,,,,,
,,,NAD:A:1780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:2414,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:3414,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:4414,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:5414,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,Family. Representative Entry is ,4Q9N,,,,,,,
,,,NAI:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,0WE:E:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:H:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:G:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:D:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:C:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:A:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:F:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,,0WE:B:302,valid,ic50,=,0.95,uM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
1.8.1.14,,,,,,,,,
,Family. Representative Entry is ,3NT6,,,,,,,
,,,CL:A:575,invalid,,,,,[Cl-],
,,,CL:B:575,invalid,,,,,[Cl-],
,,,COA:A:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3NTA,,,,,,,
,,,CL:A:575,invalid,,,,,[Cl-],
,,,CL:B:575,invalid,,,,,[Cl-],
,,,COA:A:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1YQZ,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,CL:A:3002,invalid,,,,,[Cl-],
,,,CL:A:3003,invalid,,,,,[Cl-],
,,,CL:A:3005,invalid,,,,,[Cl-],
,,,CL:B:3004,invalid,,,,,[Cl-],
,,,CL:B:3006,invalid,,,,,[Cl-],
,,,COA:A:441,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:442,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:439,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:440,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:2002,invalid,,,,,[Mg+2],
,,,MG:B:2001,invalid,,,,,[Mg+2],
,,,MG:B:2003,invalid,,,,,[Mg+2],
,,4EQR,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:3001,invalid,,,,,[Cl-],
,,,CL:B:3004,invalid,,,,,[Cl-],
,,,CL:B:3005,invalid,,,,,[Cl-],
,,,COA:A:505,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:3006,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:506,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3007,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:3002,invalid,,,,,[Mg+2],
,,,MG:B:3003,invalid,,,,,[Mg+2],
,,4EM4,,,,,,,
,,,CA8:A:508,Part of Protein,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O,
,,,CA8:B:506,Part of Protein,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)c4ccccc4)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,4EMW,,,,,,,
,,,CAJ:A:503,Part of Protein,,,,,CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAJ:B:504,Part of Protein,,,,,CCOC(=O)CCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,4EQW,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:3001,invalid,,,,,[Cl-],
,,,CL:B:3004,invalid,,,,,[Cl-],
,,,CL:B:3005,invalid,,,,,[Cl-],
,,,COA:A:505,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:3006,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:506,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3007,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:3002,invalid,,,,,[Mg+2],
,,,MG:B:3003,invalid,,,,,[Mg+2],
,,4EM3,,,,,,,
,,,CA6:A:507,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O,
,,,CA6:B:509,Part of Protein,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCS(=O)(=O)C)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,4EQX,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,4EQS,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:2003,invalid,,,,,[Cl-],
,,,CL:B:2004,invalid,,,,,[Cl-],
,,,COA:A:506,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2005,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:507,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:2001,invalid,,,,,[Mg+2],
,,,MG:B:2002,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3NTD,,,,,,,
,,,CL:A:566,invalid,,,,,[Cl-],
,,,CL:B:566,invalid,,,,,[Cl-],
,,,COA:A:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
6.2.1.45,,,,,,,,,
,Family. Representative Entry is ,6NYA,,,,,,,
,,,EDO:A:1114,invalid,,,,,C(CO)O,
,,,EDO:A:1115,invalid,,,,,C(CO)O,
,,,EDO:A:1119,invalid,,,,,C(CO)O,
,,,EDO:A:1111,invalid,,,,,C(CO)O,
,,,EDO:A:1116,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:A:1117,invalid,,,,,C(CO)O,
,,,EDO:D:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1113,invalid,,,,,C(CO)O,
,,,EDO:D:1212,invalid,,,,,C(CO)O,
,,,EDO:A:1120,invalid,,,,,C(CO)O,
,,,EDO:D:1213,invalid,,,,,C(CO)O,
,,,EDO:A:1118,invalid,,,,,C(CO)O,
,,,EDO:D:1216,invalid,,,,,C(CO)O,
,,,EDO:D:1218,invalid,,,,,C(CO)O,
,,,EDO:D:1214,invalid,,,,,C(CO)O,
,,,EDO:D:1215,invalid,,,,,C(CO)O,
,,,EDO:D:1210,invalid,,,,,C(CO)O,
,,,EDO:A:1112,invalid,,,,,C(CO)O,
,,,EDO:D:1211,invalid,,,,,C(CO)O,
,,,EDO:A:1121,invalid,,,,,C(CO)O,
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:D:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:D:1201,Part of Protein,,,,,[Mg+2],
3.1.13.-,,,,,,,,,
,Family. Representative Entry is ,3NGZ,,,,,,,
,,,CO:A:217,invalid,,,,,[Co+2],
,,,CO:B:217,invalid,,,,,[Co+2],
,,,DG  DC:C:1,valid,,,,,,
,,,DG  DC:D:1,valid,,,,,,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:B:2000,Part of Protein,,,,,[Mg+2],
,,3VA0,,,,,,,
,,,CO:B:302,invalid,,,,,[Co+2],
,,,DG  DG:C:1,valid,,,,,,
,,,DG  DG:D:1,valid,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6WUK,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6WUF,,,,,,,
,,,UBG:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2HBL,,,,,,,
,,,AMP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2PNZ,,,,,,,
,,,5GP:A:279,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MPD:A:251,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:252,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:282,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:280,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:281,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,UDP:A:250,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2PO2,,,,,,,
,,,CDP:A:250,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MPD:A:251,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:283,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:280,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:281,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:282,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,4OKE,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,AMP:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6S0M,,,,,,,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,G   G  :C:211,valid,,,,,,
,,4OKK,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,U5P:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
3.13.1.4,,,,,,,,,
,Family. Representative Entry is ,5AHS,,,,,,,
,,,SO4:C:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:F:411,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:411,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:411,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:411,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:411,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAD:F:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SIN:C:412,valid,,,,,C(CC(=O)O)C(=O)O,
,,5AF7,,,,,,,
,,,FAD:B:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
2.8.2.9,,,,,,,,,
,Family. Representative Entry is ,2ZPT,,,,,,,
,,,A3P:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,2ZYU,,,,,,,
,,,4NS:X:859,valid,,,,,c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1002,invalid,,,,,C(C(CO)O)O,
,,,PPS:X:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,2ZYV,,,,,,,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1006,invalid,,,,,C(C(CO)O)O,
,,,NPO:X:1601,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:X:1602,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,PPS:X:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,2ZYT,,,,,,,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1002,invalid,,,,,C(C(CO)O)O,
,,,PPS:X:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,2ZVP,,,,,,,
,,,A3P:X:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GOL:X:1301,invalid,,,,,C(C(CO)O)O,
,,,NPO:X:1201,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:X:1202,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,2ZVQ,,,,,,,
,,,1NP:X:501,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:X:502,valid,,,,,c1ccc2c(c1)cccc2O,
,,,A3P:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1002,invalid,,,,,C(C(CO)O)O,
,,2ZYW,,,,,,,
,,,A3P:X:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GOL:X:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:1003,invalid,,,,,C(C(CO)O)O,
,,,NPO:X:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:X:602,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
5.3.2.1,,,,,,,,,
,Family. Representative Entry is ,3L5R,,,,,,,
,,,47X:A:123,valid,ic50,=,38,nM,c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O,
,,,GOL:B:123,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:123,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LJT,,,,,,,
,,,HDI:A:115,valid,ic50,=,7,uM,COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O,
,,,HDI:B:115,valid,ic50,=,7,uM,COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O,
,,,HDI:C:115,valid,ic50,=,7,uM,COC(=O)C[C@H]1CC(=NO1)c2ccc(cc2)O,
,,5J7Q,,,,,,,
,,,IPA:C:204,invalid,,,,,CC(C)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,,6H2:A:201,valid,Ki,=,26.6,uM,c1ccn2cc(nc2c1)c3ccc(c(c3)O)O,
,,5HVT,,,,,,,
,,,NVS:C:202,valid,Kd,=,0.055,uM,COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O,
,,,NVS:B:202,valid,Kd,=,0.055,uM,COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O,
,,,NVS:A:202,valid,Kd,=,0.055,uM,COc1ccc(cc1)N2Cc3ccc(cc3OC2=O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPA:B:206,invalid,,,,,CC(C)O,
,,,IPA:A:206,invalid,,,,,CC(C)O,
,,,IPA:C:203,invalid,,,,,CC(C)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,5B4O,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6DQ:B:202,valid,,,,,c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3,
,,,6DQ:A:201,valid,,,,,c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3,
,,,6DQ:C:201,valid,,,,,c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3,
,,,6DQ:B:201,valid,,,,,c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,1GCZ,,,,,,,
,,,CIT:A:550,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:551,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:552,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:A:553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:560,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YZ9:A:900,valid,Ki,=,7.4,uM,CCOC(=O)C1=Cc2ccc(cc2OC1=O)O,
,,,YZ9:B:902,valid,Ki,=,7.4,uM,CCOC(=O)C1=Cc2ccc(cc2OC1=O)O,
,,,YZ9:C:901,valid,Ki,=,7.4,uM,CCOC(=O)C1=Cc2ccc(cc2OC1=O)O,
,,3L5P,,,,,,,
,,,428:A:123,valid,,,,,CC(C)c1cn2c(n1)ccc(n2)O,
,,,GOL:A:124,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:123,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:123,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HVS,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,65V:C:202,valid,Kd,=,0.071,uM,c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O,
,,,65V:B:203,valid,Kd,=,0.071,uM,c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O,
,,,65V:A:203,valid,Kd,=,0.071,uM,c1cc(cc(c1)Oc2cccc3c2ccc(n3)c4cn(nn4)c5ccc(c(c5)F)O)C(=O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,6B1C,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9J:A:202,valid,Kd,=,0.111,uM,CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O,
,,,C9J:B:201,valid,Kd,=,0.111,uM,CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(c(c4)F)O,
,,3L5T,,,,,,,
,,,956:A:123,valid,,,,,CN1c2ccccc2C(=C(C1=O)C#N)N3CCN(CC3)C(=O)c4cccs4,
,,,SO4:B:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IJJ,,,,,,,
,,,AVR:C:200,valid,,,,,C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N,
,,,CL:A:801,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:B:804,invalid,,,,,[Cl-],
,,,CL:C:803,invalid,,,,,[Cl-],
,,,CL:C:806,invalid,,,,,[Cl-],
,,,CL:C:808,invalid,,,,,[Cl-],
,,,EN1:A:900,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/O)O,
,,,EN1:B:900,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/O)O,
,,,EN1:C:900,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/O)O,
,,,ENO:A:901,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:B:901,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:C:901,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,6CBG,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,EWG:C:204,valid,Ki,=,113,uM,c1cc(cc(c1)C(=O)O)c2c[nH]nc2,
,,,EWG:B:204,valid,Ki,=,113,uM,c1cc(cc(c1)C(=O)O)c2c[nH]nc2,
,,4K9G,,,,,,,
,,,1Q2:A:201,valid,,,,,[H]/N=C(/C[C@H](CC(=O)C)O)c1ccc(c(c1)F)O,
,,,1Q2:C:201,valid,,,,,[H]/N=C(/C[C@H](CC(=O)C)O)c1ccc(c(c1)F)O,
,,,1Q2:B:201,valid,,,,,[H]/N=C(/C[C@H](CC(=O)C)O)c1ccc(c(c1)F)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1Q1:A:202,valid,,,,,CC(=O)C[C@@H]1CC(=NO1)c2ccc(c(c2)F)O,
,,3IJG,,,,,,,
,,,AVR:C:200,valid,Kd,=,54,uM,C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:B:608,invalid,,,,,[Cl-],
,,,CL:C:603,invalid,,,,,[Cl-],
,,,CL:C:606,invalid,,,,,[Cl-],
,,4WRB,,,,,,,
,,,3TW:A:201,valid,Ki,=,0.65,uM,COCCOc1ccc2c(c1)ccc(n2)c3cn(nn3)c4ccc(cc4)O,
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:C:206,invalid,,,,,CC(C)O,
,,,IPA:B:204,invalid,,,,,CC(C)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,1CA7,,,,,,,
,,,ENO:A:501,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:B:601,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:C:701,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,2OOH,,,,,,,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,OX3:B:200,valid,ic50,=,1.3,uM,c1cc(ccc1C=NOC(=O)C2CCCCC2)O,
,,,OX3:C:200,valid,ic50,=,1.3,uM,c1cc(ccc1C=NOC(=O)C2CCCCC2)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OOZ,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:703,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:801,invalid,,,,,CC(C)O,
,,,OX5:A:200,valid,ic50,=,7,uM,CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O,
,,,OX5:B:200,valid,ic50,=,7,uM,CC(C)(C)CC(=O)O/N=C/c1ccc(cc1)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DJI,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:F:201,invalid,,,,,[Cl-],
,,,CL:F:202,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:D:201,invalid,,,,,[Cl-],
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:F:203,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,3E1:B:201,valid,,,,,CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O,
,,6CBF,,,,,,,
,,,EWD:C:201,valid,Ki,=,6.8,uM,c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3,
,,,EWD:A:201,valid,Ki,=,6.8,uM,c1ccc(cc1)Oc2ccc(cc2C(=O)O)c3c[nH]nc3,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L5U,,,,,,,
,,,SO4:A:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEC:A:123,valid,,,,,c1cc2c(cc1O)sc(n2)S(=O)(=O)N,
,,,ZEC:B:123,valid,,,,,c1cc2c(cc1O)sc(n2)S(=O)(=O)N,
,,,ZEC:C:123,valid,,,,,c1cc2c(cc1O)sc(n2)S(=O)(=O)N,
,,6CB5,,,,,,,
,,,EV7:A:201,valid,Ki,=,4.3,uM,c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4,
,,,EV7:B:201,valid,Ki,=,4.3,uM,c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4,
,,,EV7:C:201,valid,Ki,=,4.3,uM,c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B1K,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9G:A:201,valid,Kd,=,0.213,uM,CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O,
,,,C9G:B:201,valid,Kd,=,0.213,uM,CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O,
,,,C9G:C:201,valid,Kd,=,0.213,uM,CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,3L5S,,,,,,,
,,,88X:A:123,valid,,,,,CCC1=CC(=O)N=C2N1C=C(N2)C(=O)c3ccccc3,
,,,SO4:B:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CBH,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,EWJ:C:202,valid,Ki,=,0.51,uM,c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4F,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:C:204,invalid,,,,,CC(C)O,
,,3U18,,,,,,,
,,,EDO:A:117,invalid,,,,,C(CO)O,
,,,EDO:B:115,invalid,,,,,C(CO)O,
,,,EDO:B:119,invalid,,,,,C(CO)O,
,,,GOL:A:115,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:116,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:120,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:118,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:120,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:555,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:116,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:117,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:558,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:888,invalid,,,,,CC(C)O,
,,,IPA:B:121,invalid,,,,,CC(C)O,
,,,IPA:C:118,invalid,,,,,CC(C)O,
,,,IPA:C:557,invalid,,,,,CC(C)O,
,,,NA:A:118,Part of Protein,,,,,[Na+],
,,,NA:A:119,Part of Protein,,,,,[Na+],
,,,NA:A:121,Part of Protein,,,,,[Na+],
,,,NA:B:117,Part of Protein,,,,,[Na+],
,,,SO4:B:116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Y0X:A:999,valid,ic50,=,0.81,uM,COc1c(ccc(c1)c2cc(c(cc2)/N=N/c3c(c4c(c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)N)O)OC)/N=N/c5c(c6c(c(cc(c6cc5)S(=O)(=O)O)S(=O)(=O)O)N)O,
,,6B2C,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9Y:B:201,valid,Kd,=,0.094,uM,c1cc(c(cc1n2cc(nn2)c3ccc4c(n3)C(=O)N(C=C4)CC(=O)O)F)O,
,Family. Representative Entry is ,1GYY,,,,,,,
,,,FHC:A:500,valid,Ki,=,230,uM,c1cc(ccc1C=C(/C(=O)[O-])F)O,
,,,FHC:B:500,valid,Ki,=,230,uM,c1cc(ccc1C=C(/C(=O)[O-])F)O,
,,1GYX,,,,,,,
,,,BEZ:A:1077,valid,Ki,=,3.3,mM,c1ccc(cc1)C(=O)O,
,,,EPE:B:1077,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
3.3.1.1,,,,,,,,,
,Family. Representative Entry is ,3OND,,,,,,,
,,,ADN:A:506,valid,ic50,=,67,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:507,valid,ic50,=,67,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3ONE,,,,,,,
,,,ADE:A:506,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:507,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3ONF,,,,,,,
,,,3AD:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N,
,,,3AD:B:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5M67,,,,,,,
,,,3D1:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:D:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,invalid,,,,,[Na+],
,,,NA:C:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:D:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,ADE:A:504,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:503,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ACT:C:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6EXI,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,NA:C:501,Part of Protein,,,,,[Na+],
,,,NA:D:501,Part of Protein,,,,,[Na+],
,,,ADN:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,5M5K,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:D:503,invalid,,,,,C(COCCOCCO)O,
,,,ADN:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,3AD:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N,
,,,ACT:D:504,invalid,,,,,CC(=O)[O-],
,,5M65,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,BR:B:504,invalid,,,,,[Br-],
,,,BR:A:504,invalid,,,,,[Br-],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,ADE:A:502,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:502,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5M66,,,,,,,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:C:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ADN:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,6F3M,,,,,,,
,,,ADN:D:502,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:502,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:502,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:502,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:D:505,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:C:505,Part of Protein,,,,,[K+],
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:506,Part of Protein,,,,,[Zn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5TOW,,,,,,,
,,,NAI:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,ADN:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5TOV,,,,,,,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NAI:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3X2F,,,,,,,
,,,NO3:B:516,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:517,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:519,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:509,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:503,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:511,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:520,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:512,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:514,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:522,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:519,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:514,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:508,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:510,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:508,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:516,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:513,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:506,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:518,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:513,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:518,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:524,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:515,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:509,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:520,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:512,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:515,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:507,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:504,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:521,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:521,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:523,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:506,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:505,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:511,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:505,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:504,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:517,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:510,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:507,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAI:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2ZJ1,,,,,,,
,,,ARJ:A:500,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N,
,,,ARJ:B:500,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N,
,,,ARJ:C:500,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N,
,,,ARJ:D:500,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H](C(=O)[C@H]3O)CO)N,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3DHY,,,,,,,
,,,3DH:A:500,valid,,,,,CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,3DH:B:500,valid,,,,,CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,3DH:C:500,valid,,,,,CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,3DH:D:500,valid,,,,,CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZJ0,,,,,,,
,,,2FA:A:500,valid,ic50,=,66,uM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,2FA:B:500,valid,ic50,=,66,uM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,2FA:C:500,valid,ic50,=,66,uM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,2FA:D:500,valid,ic50,=,66,uM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3CE6,,,,,,,
,,,ADN:A:500,valid,ic50,~,500,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:500,valid,ic50,~,500,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:500,valid,ic50,~,500,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:500,valid,ic50,~,500,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZIZ,,,,,,,
,,,AD3:A:500,valid,ic50,=,20,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AD3:B:500,valid,ic50,=,20,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AD3:C:500,valid,ic50,=,20,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AD3:D:500,valid,ic50,=,20,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1V8B,,,,,,,
,,,ADN:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:2502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:3502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3NJ4,,,,,,,
,,,AFX:A:601,valid,ic50,=,0.48,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N,
,,,AFX:B:602,valid,ic50,=,0.48,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N,
,,,AFX:C:603,valid,ic50,=,0.48,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N,
,,,AFX:D:604,valid,ic50,=,0.48,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C(=O)C(=C3F)CO)O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4PFJ,,,,,,,
,,,ADN:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5W49,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9W1:A:508,valid,ic50,=,8,uM,Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC,
,,,9W1:B:509,valid,ic50,=,8,uM,Cc1cc(cc(n1)[C@@H]2CCN(C2)C(=O)c3c(non3)N)Nc4cccc(c4)OC,
,,1LI4,,,,,,,
,,,IPA:A:900,invalid,,,,,CC(C)O,
,,,IPA:A:901,invalid,,,,,CC(C)O,
,,,NAD:A:433,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NOC:A:434,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H]([C@H]3O)O)CO)N,
,Family. Representative Entry is ,6F3N,,,,,,,
,,,NAD:C:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,K:D:501,Part of Protein,,,,,[K+],
,,,K:C:501,Part of Protein,,,,,[K+],
,,,K:B:501,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADN:D:506,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:505,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:505,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:505,valid,Kd,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,6F3Q,,,,,,,
,,,RB:C:501,invalid,,,,,[Rb+],
,,,RB:B:502,invalid,,,,,[Rb+],
,,,RB:A:501,invalid,,,,,[Rb+],
,,,RB:D:501,invalid,,,,,[Rb+],
,,,RB:B:501,invalid,,,,,[Rb+],
,,,NAD:C:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADE:A:505,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:505,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:507,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:506,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,6F3P,,,,,,,
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,3AD:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N,
,,,3AD:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6F3O,,,,,,,
,,,NAD:C:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,K:D:501,Part of Protein,,,,,[K+],
,,,K:C:501,Part of Protein,,,,,[K+],
,,,K:B:501,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ADE:A:505,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:505,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:505,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:506,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
2.7.1.25,,,,,,,,,
,Family. Representative Entry is ,2PEZ,,,,,,,
,,,DAT:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,DAT:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,GGZ:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P@@](=O)(O4)O)N,
,,2PEY,,,,,,,
,,,ADX:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,DAT:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,DAT:B:227,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,5CB8,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADX:B:301,valid,Ki,=,18.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:A:301,valid,Ki,=,18.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3UIE,,,,,,,
,,,ADX:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2OFW,,,,,,,
,,,ADX:A:1100,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:A:1101,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:1200,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:1201,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:C:1300,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:C:1301,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:D:1400,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:D:1401,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:E:1500,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:E:1501,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:F:1600,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:F:1601,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:G:1700,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:G:1701,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:H:1800,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:H:1801,valid,Ki,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,,,MG:E:1005,Part of Protein,,,,,[Mg+2],
,,,MG:F:1006,Part of Protein,,,,,[Mg+2],
,,,MG:H:1008,Part of Protein,,,,,[Mg+2],
,,2OFX,,,,,,,
,,,ADP:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PPS:A:1100,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,,,PPS:B:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,1M7G,,,,,,,
,,,ADP:B:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1309,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADX:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:1305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:C:1307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:D:1310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,AV2:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N,
,,,AV2:C:1306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[V](=O)(O4)O)N,
,,,GOL:B:2011,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2010,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M7H,,,,,,,
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADX:B:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:D:1306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.185,,,,,,,,,
,Family. Representative Entry is ,3WKX,,,,,,,
,,,FUB:A:701,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
4.2.3.3,,,,,,,,,
,Family. Representative Entry is ,1IK4,,,,,,,
,,,PGH:A:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:C:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:D:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:E:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:F:153,valid,Ki,=,39,nM,C(C(=O)NO)OP(=O)(O)O,
,,1S89,,,,,,,
,,,PGA:A:201,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:202,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:203,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:204,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:E:205,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:F:206,valid,Ki,=,5.8,uM,C(C(=O)O)OP(=O)(O)O,
,,1EGH,,,,,,,
,,,PGA:A:201,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:211,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:221,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:231,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:E:241,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:F:251,valid,Ki,=,2,uM,C(C(=O)O)OP(=O)(O)O,
,,1S8A,,,,,,,
,,,PGA:A:201,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:202,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:203,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:204,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:E:205,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:F:206,valid,Ki,~,74,uM,C(C(=O)O)OP(=O)(O)O,
4.6.1.2,,,,,,,,,
,Family. Representative Entry is ,4IAE,,,,,,,
,,,1DX:A:201,valid,,,,,c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O,
,,,1DX:B:201,valid,,,,,c1cc(ccc1C[N@@](CCCCC(=O)O)CCc2cc(ccc2OCc3ccc(cc3)c4ccc(cc4)C(F)(F)F)F)C(=O)O,
,,,MLI:B:202,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:202,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:203,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4JQH,,,,,,,
,,,1MF:B:201,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O,
,,,1MF:A:201,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)c3ccc(cc3)COc4ccccc4CCN(CCCCC(=O)O)Cc5ccc(cc5)C(=O)O,
,,,MLA:A:202,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:202,invalid,,,,,C(C(=O)O)C(=O)O,
,,3L6J,,,,,,,
,,,Z90:A:190,valid,,,,,c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O,
,,,Z90:B:190,valid,,,,,c1ccc(cc1)CCc2ccc(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4ccc(cc4)C(=O)O,
1.14.11.38,,,,,,,,,
,Family. Representative Entry is ,6OXH,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
5.3.3.1,,,,,,,,,
,Family. Representative Entry is ,5AI1,,,,,,,
,,,EQU:A:1128,valid,Kd,=,0.34,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,3CPO,,,,,,,
,,,FP2:A:132,valid,,,,,c1ccc(c(c1)O)F,
,,1W6Y,,,,,,,
,,,BME:A:501,invalid,,,,,C(CS)O,
,,,BME:A:601,invalid,,,,,C(CS)O,
,,,BME:A:701,invalid,,,,,C(CS)O,
,,,EQU:A:201,valid,Kd,=,4.4,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,5G2G,,,,,,,
,,,EQU:B:1129,valid,Kd,=,0.9,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:A:1129,valid,Kd,=,0.9,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,6C17,,,,,,,
,,,DNX:A:202,valid,,,,,c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-],
,,,MG:A:201,invalid,,,,,[Mg+2],
,,1GS3,,,,,,,
,,,EQU:A:801,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,5KP1,,,,,,,
,,,EQU:B:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:201,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:A:201,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OHO,,,,,,,
,,,EQU:A:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1CQS,,,,,,,
,,,EQU:A:801,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:802,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,3OWY,,,,,,,
,,,EQU:A:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:E:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:H:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,5KP4,,,,,,,
,,,6VW:B:201,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,
,,3IPT,,,,,,,
,,,EQU:A:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1OH0,,,,,,,
,,,BME:B:1332,invalid,,,,,C(CS)O,
,,,EQU:A:1128,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:1331,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1OGX,,,,,,,
,,,EQU:A:1128,valid,Kd,=,0.81,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:1328,valid,Kd,=,0.81,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1E3V,,,,,,,
,,,DXC:A:801,valid,Kd,=,45.74,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:B:801,valid,Kd,=,45.74,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,6C1J,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,invalid,,,,,[Mg+2],
,,,DNX:A:204,valid,,,,,c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,6UFS,,,,,,,
,,,Q6J:B:201,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4,
,,2PZV,,,,,,,
,,,IPH:A:401,valid,Kd,=,135,uM,c1ccc(cc1)O,
,,,IPH:B:402,valid,Kd,=,135,uM,c1ccc(cc1)O,
,,,IPH:C:403,valid,Kd,=,135,uM,c1ccc(cc1)O,
,,,IPH:D:404,valid,Kd,=,135,uM,c1ccc(cc1)O,
,,3FZW,,,,,,,
,,,EQU:A:132,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:132,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,GOL:A:133,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:134,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:135,invalid,,,,,CC(C)O,
,,6C1X,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,invalid,,,,,[Mg+2],
,,,DNX:A:203,valid,,,,,c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-],
,,3T8N,,,,,,,
,,,EDT:D:135,valid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,SO4:A:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:133,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:133,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:134,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E3R,,,,,,,
,,,AND:A:801,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,
,,,AND:B:801,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,
,,2INX,,,,,,,
,,,FFP:A:132,valid,,,,,c1cc(c(c(c1)F)O)F,
,,3OWU,,,,,,,
,,,EQU:A:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,5KP3,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EQU:A:201,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:201,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,3OWS,,,,,,,
,,,EQU:A:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:200,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,Family. Representative Entry is ,1OGZ,,,,,,,
,,,EQU:A:1126,valid,Kd,=,1.4,uM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1OHS,,,,,,,
,,,5SD:A:1126,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,5SD:B:1326,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,5SD:C:1126,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,5UGI,,,,,,,
,,,EQU:A:201,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,1OHP,,,,,,,
,,,ESR:A:1126,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4,
,,,ESR:B:1326,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4,
,,,ESR:C:1126,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4,
,,,ESR:D:1326,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@H]3CCC(=O)C4,
,,1QJG,,,,,,,
,,,EQU:A:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:B:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:C:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:D:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:E:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,EQU:F:130,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CCC2=O)O,
,,,SO4:B:1140,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.7.8,,,,,,,,,
,Family. Representative Entry is ,3GCM,,,,,,,
,,,5GP:B:550,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:551,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:550,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FLC:A:550,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:551,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:552,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:553,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:554,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:555,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:551,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:552,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:552,invalid,,,,,[Mg+2],
,,,MG:B:556,invalid,,,,,[Mg+2],
,,,MG:C:553,invalid,,,,,[Mg+2],
1.14.13.239,,,,,,,,,
,Family. Representative Entry is ,6ZGP,,,,,,,
,,,FE:L:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:H:401,Part of Protein,,,,,[Fe+3],
,,,FE:K:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:J:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:G:401,Part of Protein,,,,,[Fe+3],
,,,FE:I:401,Part of Protein,,,,,[Fe+3],
,,,FE:E:401,Part of Protein,,,,,[Fe+3],
,,,FE:F:401,Part of Protein,,,,,[Fe+3],
,,,FES:I:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:H:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:L:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,EPE:B:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:J:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:H:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:L:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:E:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:I:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:G:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:K:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,QKQ:I:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:C:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:G:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:J:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:L:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:B:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:K:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:A:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:D:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:F:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:E:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,,QKQ:H:403,valid,Ki,=,1.09,uM,COc1ccc(cc1)c2cncc3c2nc(cc3)C(=O)NCCCn4ccnc4,
,,6Y9D,,,,,,,
,,,FE:L:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:H:401,Part of Protein,,,,,[Fe+3],
,,,FE:K:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:J:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:G:401,Part of Protein,,,,,[Fe+3],
,,,FE:I:401,Part of Protein,,,,,[Fe+3],
,,,FE:E:401,Part of Protein,,,,,[Fe+3],
,,,FE:F:401,Part of Protein,,,,,[Fe+3],
,,,FES:I:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:H:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:L:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,152:D:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:J:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:I:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:F:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:C:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:B:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:A:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:H:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:L:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:G:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:E:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:K:403,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,SCN:F:404,invalid,,,,,C(#N)[S-],
,,,SCN:D:404,invalid,,,,,C(#N)[S-],
,,,SCN:C:404,invalid,,,,,C(#N)[S-],
,,,SCN:H:404,invalid,,,,,C(#N)[S-],
,,,SCN:K:404,invalid,,,,,C(#N)[S-],
,,,SCN:L:404,invalid,,,,,C(#N)[S-],
,,,SCN:I:404,invalid,,,,,C(#N)[S-],
,,,SCN:E:404,invalid,,,,,C(#N)[S-],
,,,SCN:G:404,invalid,,,,,C(#N)[S-],
,,,SCN:B:404,invalid,,,,,C(#N)[S-],
,,,SCN:J:404,invalid,,,,,C(#N)[S-],
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,EPE:H:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:J:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:G:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:E:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:I:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:L:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:K:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6Y8S,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,NM2:A:403,valid,,,,,C[N+](C)(C)CCCC(=O)O,
,,,NM2:A:405,valid,,,,,C[N+](C)(C)CCCC(=O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,FES:A:402,Part of Protein,,,,,S1[Fe]S[Fe]1,
4.1.1.21,,,,,,,,,
,Family. Representative Entry is ,3V4S,,,,,,,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,CO3:A:403,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:404,invalid,,,,,C(=O)([O-])[O-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4DLK,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ATP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3ETH,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,3ETJ,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,PI:A:403,invalid,,,,,OP(=O)([O-])[O-],
,,,PI:B:403,invalid,,,,,OP(=O)([O-])[O-],
,,1B6S,,,,,,,
,,,ADP:A:1100,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1201,Part of Protein,,,,,[Mg+2],
,,,MG:C:1301,Part of Protein,,,,,[Mg+2],
,,,MG:D:1401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3K5I,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AIR:A:402,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:B:402,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:C:402,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:D:402,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,NA:A:384,Part of Protein,,,,,[Na+],
,,,NHE:A:385,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:C:384,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,3K5H,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2NSJ,,,,,,,
,,,C2R:A:242,valid,Kd,=,16.3,uM,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,2NSL,,,,,,,
,,,C2R:A:300,valid,Kd,=,20.9,uM,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,2NSH,,,,,,,
,,,NIA:A:300,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-],
,,2ATE,,,,,,,
,,,NIA:A:400,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)[N+](=O)[O-],
,,1D7A,,,,,,,
,,,AIR:A:300,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:B:350,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:C:400,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:D:450,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3RGG,,,,,,,
,,,AIR:A:1001,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:B:1002,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:C:1003,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:D:1004,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
1.3.1.54,,,,,,,,,
,Family. Representative Entry is ,4X7G,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,3Y8:A:302,valid,,,,,CC1=C2[C@H]([C@]([C@@](N2)([C@H]3[C@@H]([C@@]([C@@H](N3)CC4=N[C@@](CC5=NC1[C@@](C5CCC(=O)O)(C)CC(=O)O)(C(=C4CCC(=O)O)CC(=O)O)C)(C)C=CC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O,
3.1.3.-,,,,,,,,,
,Family. Representative Entry is ,1ZSQ,,,,,,,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,PIB:A:3632,valid,,,,,CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC,
,,1ZVR,,,,,,,
,,,3PI:A:3632,valid,,,,,CCC[C@H](O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4PYH,,,,,,,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4RKK,,,,,,,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC:A:417,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:415,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:D:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:G:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:H:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2JAR,,,,,,,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,UMP:A:1200,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2JAO,,,,,,,
,,,DGP:A:1201,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,GOL:A:1200,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2HJ9,,,,,,,
,,,AI2:A:501,valid,,,,,[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O,
,,,AI2:B:502,valid,,,,,[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O,
,Family. Representative Entry is ,3L8G,,,,,,,
,,,GMB:A:3523,valid,,,,,C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:188,Part of Protein,,,,,[Mg+2],
,,,NA:A:190,Part of Protein,,,,,[Na+],
,,,ZN:A:189,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4DID,,,,,,,
,,,GDP:A:200,valid,Kd,=,6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4KYQ,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,4KYR,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC GLC GLC GLC:E:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:C:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
2.4.1.20,,,,,,,,,
,Family. Representative Entry is ,3ACT,,,,,,,
,,,BGC:A:2901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:3901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:2904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3906,invalid,,,,,C(C(CO)O)O,
,,,K:A:2903,Part of Protein,,,,,[K+],
,,,K:B:3903,Part of Protein,,,,,[K+],
,,,PO4:A:2902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2CQS,,,,,,,
,,,BGC:A:1901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:1902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CQT,,,,,,,
,,,BGC:A:1901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:1903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2903,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2902,invalid,,,,,[O-]P(=O)([O-])[O-],
2.7.11.30,,,,,,,,,
,Family. Representative Entry is ,5QTZ,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,QMY:A:601,valid,ic50,=,0.001,uM,Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3,
,,4X2F,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3WJ:A:601,valid,,,,,c1cc(ccc1N)N2C=CC(=O)c3c2ncnc3N,
,,4X0M,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3WA:A:601,valid,,,,,c1nc(c2c(n1)NC=CC2=O)N,
,,1RW8,,,,,,,
,,,580:A:501,valid,ic50,=,0.175,uM,Cc1cccc(n1)c2c(c3n(n2)CCC3)c4ccc(cc4)F,
,,3GXL,,,,,,,
,,,QIG:A:999,valid,ic50,=,0.025,uM,Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5,
,,5QIM,,,,,,,
,,,J2Y:A:601,valid,,,,,CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(cn4)OC,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,2WOT,,,,,,,
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,ZZG:A:1500,valid,ic50,=,44,nM,Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c(c(c4)OC)OC)OC,
,,1VJY,,,,,,,
,,,460:A:999,valid,ic50,=,0.023,uM,Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4,
,,4X2K,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3WO:A:601,valid,,,,,c1cc(cc(c1)Nc2c3c(ncn2)N=CCC3=O)N,
,,4X2G,,,,,,,
,,,3WK:A:601,valid,,,,,c1cc(ccc1N)Nc2c3c(ncn2)N=CCC3=O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5QIK,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,J2M:A:601,valid,,,,,CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)CCNC3=O)c4ccc(nc4)F,
,,5QIL,,,,,,,
,,,J2V:A:601,valid,,,,,CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC,
,,4X2J,,,,,,,
,,,3WN:A:601,valid,,,,,c1cc(cc(c1)Nc2c3c(ncn2)NC=CC3=O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WOU,,,,,,,
,,,EDO:A:1497,invalid,,,,,C(CO)O,
,,,ZZF:A:1500,valid,ic50,=,72,nM,Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc3)S(=O)(=O)N,
,,3HMM,,,,,,,
,,,855:A:857,valid,ic50,=,0.025,uM,Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccncc4,
,,5QU0,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,QMV:A:601,valid,ic50,=,0.0016,uM,c1cc(c(cc1c2c(n(cn2)CCO)c3ccc4ncc(n4n3)C#N)Cl)F,
,,3TZM,,,,,,,
,,,085:A:1,valid,,,,,c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5,
,,1PY5,,,,,,,
,,,PY1:A:700,valid,ic50,=,51,nM,c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4,
,,,SO4:A:650,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B8Y,,,,,,,
,,,D0A:A:601,valid,,,,,c1cc(nc(c1)C(F)(F)F)c2nc3c(cc[nH]3)c(n2)Nc4ccncc4F,
,Family. Representative Entry is ,6JUX,,,,,,,
,,,C9U:A:501,valid,ic50,=,9.4,nM,CCn1cc(c(n1)c2cccnc2)c3ccnc(n3)Nc4ccc(cc4)N5CCNCC5,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GI6,,,,,,,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EZB:A:501,valid,ic50,=,0.194,uM,Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GIP,,,,,,,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EUN:A:501,valid,ic50,=,0.042,uM,Cc1c(ccc2c1C(=O)NC(=N2)C)c3ccnc4c3cccc4,
,,6GIN,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,IR2:B:501,valid,ic50,=,0.032,uM,c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6,
,,,IR2:A:501,valid,ic50,=,0.032,uM,c1ccc2c(c1)c(ccn2)c3ccc4c(c3)C(=O)N(C=N4)c5ccc(cc5)N6CCOCC6,
,,6ACR,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9TO:B:501,valid,ic50,=,0.684,uM,COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4,
,,,9TO:A:501,valid,ic50,=,0.684,uM,COc1ccc(cc1)Nc2nccc(n2)c3c[nH]nc3c4cccnc4,
,Family. Representative Entry is ,3H9R,,,,,,,
,,,PG4:A:6,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:7,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:8,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAK:A:1,valid,,,,,c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5,
,Family. Representative Entry is ,2QLU,,,,,,,
,,,ADE:A:488,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5QIN,,,,,,,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,J2V:A:601,valid,,,,,CC(=O)Nc1cc(ccn1)c2c(c3c([nH]2)cccn3)c4ccc(nc4)OC,
,Family. Representative Entry is ,4P7U,,,,,,,
,,,1PS:A:201,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,Family. Representative Entry is ,2GOO,,,,,,,
,,,NDG:C:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:400,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
1.3.1.99,,,,,,,,,
,Family. Representative Entry is ,5DF1,,,,,,,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,58X:A:901,valid,Ki,=,4,uM,CC(=CCC/C(=C/C(=O)O)/C)C,
,,,58X:B:901,valid,Ki,=,4,uM,CC(=CCC/C(=C/C(=O)O)/C)C,
,,,NAP:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,IMD:A:903,invalid,,,,,c1c[nH+]c[nH]1,
,,5DCU,,,,,,,
,,,TEG:B:902,valid,,,,,C(COCCOCC(=O)O)O,
,,,TEG:A:902,valid,,,,,C(COCCOCC(=O)O)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,NAP:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5DBF,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5DBG,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5DBI,,,,,,,
,,,XOG:B:402,valid,,,,,C/C(=CC=O)/CC/C=C(C)/C=O,
,,,XOG:A:402,valid,,,,,C/C(=CC=O)/CC/C=C(C)/C=O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5DCY,,,,,,,
,,,PGE:A:901,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:901,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,NAP:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
4.4.1.16,,,,,,,,,
,Family. Representative Entry is ,3A9Y,,,,,,,
,,,CYS:A:601,valid,Ki,=,9.6,mM,C([C@@H](C(=O)O)N)S,
,,,CYS PLP:B:601,Part of Protein,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:501,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3A9Z,,,,,,,
,,,PLP:A:501,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SLP:A:502,valid,,,,,C(C[SeH])C(=O)O,
,,,SLP:B:503,valid,,,,,C(C[SeH])C(=O)O,
1.13.11.31,,,,,,,,,
,Family. Representative Entry is ,3RDE,,,,,,,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,FE2:B:2,Part of Protein,,,,,[Fe+2],
,,,FE2:C:3,Part of Protein,,,,,[Fe+2],
,,,FE2:D:4,Part of Protein,,,,,[Fe+2],
,,,K:A:2,Part of Protein,,,,,[K+],
,,,K:D:1,Part of Protein,,,,,[K+],
,,,OYP:A:664,valid,,,,,CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O,
,,,OYP:B:664,valid,,,,,CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O,
,,,OYP:C:664,valid,,,,,CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O,
,,,OYP:D:664,valid,,,,,CCCCCCCCCCC#CCOCc1ccc(cc1)CCC(=O)O,
2.1.2.1,,,,,,,,,
,Family. Representative Entry is ,2VMQ,,,,,,,
,,,GLY PLP:A:502,valid,,,,,P(=O)(OCc1c(C=NCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2VMO,,,,,,,
,,,GLY PLP:A:502,valid,,,,,P(=O)(OCc1c(C=NCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2W7F,,,,,,,
,,,MPD:A:720,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:721,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER PLP:A:601,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,2W7L,,,,,,,
,,,PLP ALO:A:501,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])C(O)C)c(O)c(C)nc1)([O-])[O-],
,,1KKP,,,,,,,
,,,PLP SER:A:501,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C)c(O)c(C)nc1)([O-])[O-],
,,2VMP,,,,,,,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER PLP:A:502,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,1YJY,,,,,,,
,,,PLP SER:A:501,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C)c(O)c(C)nc1)([O-])[O-],
,,2VMW,,,,,,,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER PLP:A:502,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,2W7K,,,,,,,
,,,SER PLP:A:601,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,1KL1,,,,,,,
,,,PLP GLY:A:501,valid,,,,,P(=O)(OCC1=C(C=NCC(=O)[O-])C(=O)C(C)=NC1)([O-])[O-],
,,2W7J,,,,,,,
,,,GLY PLP:A:601,valid,,,,,P(=O)(OCc1c(C=NCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,2W7M,,,,,,,
,,,GLY PLP:A:601,valid,,,,,P(=O)(OCc1c(C=NCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,2VMX,,,,,,,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PLP ALO:A:501,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])C(O)C)c(O)c(C)nc1)([O-])[O-],
,,1YJZ,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2VMT,,,,,,,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER PLP:A:502,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,2W7G,,,,,,,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PLP ALO:A:501,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])C(O)C)c(O)c(C)nc1)([O-])[O-],
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1YJS,,,,,,,
,,,PLP GLY:A:501,valid,,,,,P(=O)(OCC1=C(C=NCC(=O)[O-])C(=O)C(C)=NC1)([O-])[O-],
,Family. Representative Entry is ,6UXJ,,,,,,,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:C:806,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:C:801,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:C:807,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,EDO:D:707,invalid,,,,,C(CO)O,
,,,EDO:C:804,invalid,,,,,C(CO)O,
,,,FFO:B:502,valid,Kd,=,17,uM,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:A:502,valid,Kd,=,17,uM,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:C:803,valid,Kd,=,17,uM,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:D:705,valid,Kd,=,17,uM,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:802,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:D:704,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,6UXI,,,,,,,
,,,PLG:B:801,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,6UXL,,,,,,,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,Family. Representative Entry is ,4WXG,,,,,,,
,,,2BO:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O,
,,,2BO:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,4WXB,,,,,,,
,,,CIT:C:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,CAC:D:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:502,invalid,,,,,C[As](=O)(C)[O-],
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,4WXF,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,Family. Representative Entry is ,6SMW,,,,,,,
,,,PLP:D:1310,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:D:1303,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:D:1307,invalid,,,,,C(CO)O,
,,,EDO:D:1309,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:D:1301,invalid,,,,,C(CO)O,
,,,EDO:D:1302,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:D:1306,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:D:1308,invalid,,,,,C(CO)O,
,,,EDO:D:1304,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,SER:C:613,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,PLS:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,LYA:C:608,valid,Ki,=,119.4,uM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:D:1305,valid,Ki,=,119.4,uM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:A:710,valid,Ki,=,119.4,uM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,6SMR,,,,,,,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,MTX:B:501,valid,Ki,=,179.3,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:A:503,valid,Ki,=,179.3,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:703,valid,Ki,=,179.3,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PLS:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:D:702,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,TRS:C:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6SMN,,,,,,,
,,,EDO:D:708,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:B:2409,invalid,,,,,C(CO)O,
,,,EDO:B:2405,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:2412,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:C:618,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:B:2406,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:B:2411,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:2407,invalid,,,,,C(CO)O,
,,,EDO:B:2403,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:2408,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:D:709,invalid,,,,,C(CO)O,
,,,EDO:B:2410,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:B:2401,invalid,,,,,C(CO)O,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:D:707,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,MTX:C:617,valid,Ki,=,270.2,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:A:603,valid,Ki,=,270.2,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:603,valid,Ki,=,270.2,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:2404,valid,Ki,=,270.2,uM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PLS:B:2402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,SER:D:702,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,6YMF,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,1PE:A:506,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PLS:A:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,Family. Representative Entry is ,6QVL,,,,,,,
,,,CA:A:604,invalid,,,,,[Ca+2],
,,,PLP:B:603,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:605,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,4DW:B:602,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,6QVG,,,,,,,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GLY:A:601,valid,,,,,C(C(=O)O)N,
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,PLP:B:603,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:608,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DDF:B:602,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,DDF:A:607,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,5V7I,,,,,,,
,,,8Z1:A:601,valid,,,,,Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N,
,,,8Z1:B:601,valid,,,,,Cc1c2c([nH]n1)OC(=C([C@@]2(c3cc(cc(c3)N4CCCC4)C(F)(F)F)C(C)C)C#N)N,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,GLY:B:603,valid,,,,,C(C(=O)O)N,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6CD1,,,,,,,
,,,EDO:G:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:H:603,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:C:602,invalid,,,,,CC(=O)[O-],
,,,ACT:H:601,invalid,,,,,CC(=O)[O-],
,,,PLS:D:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLG:F:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,Family. Representative Entry is ,1DFO,,,,,,,
,,,FFO:A:1002,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:B:2002,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:C:3002,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:D:4002,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,PLG:A:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:2001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:3001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:D:4001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
1.14.99.46,,,,,,,,,
,Family. Representative Entry is ,5WAN,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:409,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,URA:A:401,valid,,,,,C1=CNC(=O)NC1=O,
3.1.3.26,,,,,,,,,
,Family. Representative Entry is ,4ARU,,,,,,,
,,,TLA:A:1415,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1414,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,CL:A:1419,invalid,,,,,[Cl-],
,,,NA:A:1416,invalid,,,,,[Na+],
,,,K:A:1417,Part of Protein,,,,,[K+],
,,4ARO,,,,,,,
,,,IHS:A:501,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:A:502,invalid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,K:A:504,Part of Protein,,,,,[K+],
2.5.1.113,,,,,,,,,
,Family. Representative Entry is ,5I7A,,,,,,,
,,,68Q:C:401,valid,Kd,=,0.32,uM,c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O,
,,,68Q:B:401,valid,Kd,=,0.32,uM,c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O,
,,,68Q:D:401,valid,Kd,=,0.32,uM,c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O,
,,,68Q:A:401,valid,Kd,=,0.32,uM,c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O,
,,,PLP:A:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5I7R,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,68W:A:402,valid,Kd,=,1.7,uM,c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O,
,,,68W:B:402,valid,Kd,=,1.7,uM,c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O,
,,5I7O,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,S16:A:402,valid,Kd,=,3.4,uM,c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O,
,,,S16:D:402,valid,Kd,=,3.4,uM,c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O,
,,,S16:C:402,valid,Kd,=,3.4,uM,c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O,
,,,S16:B:402,valid,Kd,=,3.4,uM,c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O,
,,5I6D,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,AU6:A:402,valid,Kd,=,8,uM,Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O,
,,,AU6:D:402,valid,Kd,=,8,uM,Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O,
,,,AU6:C:402,valid,Kd,=,8,uM,Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O,
,,,AU6:B:402,valid,Kd,=,8,uM,Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,5IW8,,,,,,,
,,,6EC:A:401,valid,Kd,=,2.2,uM,c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O,
,,,6EC:B:401,valid,Kd,=,2.2,uM,c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,PLP:B:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:403,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
1.2.3.3,,,,,,,,,
,Family. Representative Entry is ,4KGD,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,K:A:709,Part of Protein,,,,,[K+],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,TDP:A:704,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:703,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2EZ8,,,,,,,
,,,FAD:A:1614,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1617,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:1510,Part of Protein,,,,,[Mg+2],
,,,MG:B:1512,Part of Protein,,,,,[Mg+2],
,,,NA:A:1513,Part of Protein,,,,,[Na+],
,,,NA:B:1511,Part of Protein,,,,,[Na+],
,,,PYR:A:1615,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1618,valid,,,,,CC(=O)C(=O)O,
,,,TDL:A:1611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDL:B:1616,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,4FEG,,,,,,,
,,,FAD:A:709,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:710,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,MG:A:707,Part of Protein,,,,,[Mg+2],
,,,MG:B:708,Part of Protein,,,,,[Mg+2],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:701,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:702,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:701,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:702,valid,,,,,CC(=O)C(=O)O,
,,,TDM:A:708,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,TDM:B:709,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,1POX,,,,,,,
,,,FAD:A:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,NA:A:614,Part of Protein,,,,,[Na+],
,,,NA:B:614,Part of Protein,,,,,[Na+],
,,,TPP:A:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2EZT,,,,,,,
,,,FAD:A:1612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1615,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:1510,Part of Protein,,,,,[Mg+2],
,,,MG:B:1513,Part of Protein,,,,,[Mg+2],
,,,NA:A:1514,Part of Protein,,,,,[Na+],
,,,NA:B:1511,Part of Protein,,,,,[Na+],
,,,PO4:A:1512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:1613,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1616,valid,,,,,CC(=O)C(=O)O,
,,,TDM:A:1611,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,TDM:B:1614,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,1Y9D,,,,,,,
,,,FAD:A:2603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:2903,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:2601,Part of Protein,,,,,[Mg+2],
,,,MG:B:2701,Part of Protein,,,,,[Mg+2],
,,,MG:C:2801,Part of Protein,,,,,[Mg+2],
,,,MG:D:2901,Part of Protein,,,,,[Mg+2],
,,,NA:A:2605,Part of Protein,,,,,[Na+],
,,,NA:B:2705,Part of Protein,,,,,[Na+],
,,,SO4:A:2804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:2602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2702,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2802,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:2902,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6HAF,,,,,,,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,PO4:A:712,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:710,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDP:A:704,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:704,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,K:A:702,Part of Protein,,,,,[K+],
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2EZ9,,,,,,,
,,,FAD:A:1612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1614,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:1510,Part of Protein,,,,,[Mg+2],
,,,MG:B:1512,Part of Protein,,,,,[Mg+2],
,,,NA:A:1513,Part of Protein,,,,,[Na+],
,,,NA:B:1511,Part of Protein,,,,,[Na+],
,,,TDK:A:1611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDK:B:1613,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2EZ4,,,,,,,
,,,FAD:A:1617,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1619,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:1610,Part of Protein,,,,,[Mg+2],
,,,MG:B:1613,Part of Protein,,,,,[Mg+2],
,,,NA:A:1614,Part of Protein,,,,,[Na+],
,,,NA:B:1611,Part of Protein,,,,,[Na+],
,,,PO4:A:1612,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TPP:A:1616,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1618,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1POW,,,,,,,
,,,FAD:A:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,TPP:A:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,4FEE,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,MG:A:710,Part of Protein,,,,,[Mg+2],
,,,MG:B:708,Part of Protein,,,,,[Mg+2],
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:703,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:704,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:702,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:703,valid,,,,,CC(=O)C(=O)O,
,,,TDM:A:708,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,TDM:B:704,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(C)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,2EZU,,,,,,,
,,,FAD:A:1615,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1618,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTL:A:1614,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,HTL:B:1617,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1610,Part of Protein,,,,,[Mg+2],
,,,MG:B:1612,Part of Protein,,,,,[Mg+2],
,,,NA:A:1613,Part of Protein,,,,,[Na+],
,,,NA:B:1611,Part of Protein,,,,,[Na+],
,,,PYR:A:1616,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1619,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,1V5F,,,,,,,
,,,FAD:A:1601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:1603,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:1602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1V5E,,,,,,,
,,,FAD:A:1601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V5G,,,,,,,
,,,FAD:A:1601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTL:A:1602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1603,Part of Protein,,,,,[Mg+2],
,,2DJI,,,,,,,
,,,FAD:A:1601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1606,invalid,,,,,[O-]S(=O)(=O)[O-],
3.1.27.3,,,,,,,,,
,Family. Representative Entry is ,1RNT,,,,,,,
,,,2GP:A:105,valid,Kd,=,6.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,6GSP,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1TRP,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:305,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,5GSP,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,7RNT,,,,,,,
,,,2AM:A:105,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,1FYS,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1LOV,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,6RNT,,,,,,,
,,,2AM:A:105,valid,Kd,=,4.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,1RGA,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,,G:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1RLS,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,1LOW,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1I2F,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1DET,,,,,,,
,,,2GP:A:105,valid,Kd,=,50,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,NA:A:106,Part of Protein,,,,,[Na+],
,,,NA:A:107,Part of Protein,,,,,[Na+],
,,1HZ1,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,MG:A:105,Part of Protein,,,,,[Mg+2],
,,5BIR,,,,,,,
,,,2GP:A:105,valid,Kd,=,255,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:306,valid,Kd,=,255,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,1FZU,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1B2M,,,,,,,
,,,G   U34:C:105,valid,,,,,,
,,,G   U34:D:105,valid,,,,,,
,,,G   U34:E:105,valid,,,,,,
,,1BVI,,,,,,,
,,,2GP:A:252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:253,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:254,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:255,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:256,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:C:250,Part of Protein,,,,,[Ca+2],
,,,CA:D:251,Part of Protein,,,,,[Ca+2],
,,1I2E,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1G02,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1BIR,,,,,,,
,,,2GP:A:106,valid,Kd,=,138,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:107,valid,Kd,=,138,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,3BIR,,,,,,,
,,,2GP:A:105,valid,Kd,=,112,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1CH0,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,,CA:B:108,Part of Protein,,,,,[Ca+2],
,,,CA:C:109,Part of Protein,,,,,[Ca+2],
,,,CA:C:110,Part of Protein,,,,,[Ca+2],
,,,CL:C:111,invalid,,,,,[Cl-],
,,1I3I,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,4GSP,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,,SGP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,2AAD,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:B:107,Part of Protein,,,,,[Ca+2],
,,5HOH,,,,,,,
,,,2GP:A:307,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:308,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:309,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:310,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:311,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,3BU4,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,invalid,,,,,[Ca+2],
,,3SYU,,,,,,,
,,,2GP:A:105,valid,Kd,=,50,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,NA:A:106,Part of Protein,,,,,[Na+],
,,,NA:A:107,Part of Protein,,,,,[Na+],
,,,UNX:A:991,invalid,,,,,*,
,,1I0V,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1RHL,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1I2G,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,1I0X,,,,,,,
,,,2GP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:605,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:705,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:704,Part of Protein,,,,,[Ca+2],
,,1RGK,,,,,,,
,,,2AM:A:105,valid,Kd,=,49.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,1I3F,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1LRA,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,NA:A:106,invalid,,,,,[Na+],
,,4HOH,,,,,,,
,,,2GP:A:107,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:108,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:109,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:110,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:111,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:C:105,Part of Protein,,,,,[Ca+2],
,,,CA:D:106,Part of Protein,,,,,[Ca+2],
,,2RNT,,,,,,,
,,,CA:A:223,Part of Protein,,,,,[Ca+2],
,,,GPG:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N,
,,2BU4,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,5BU4,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,2BIR,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,1RGC,,,,,,,
,,,3GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,3GP:B:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,1GSP,,,,,,,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,SGP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,2HOH,,,,,,,
,,,2GP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:305,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:306,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:307,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:C:300,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,PO4:B:113,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HYF,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,SR:A:105,invalid,,,,,[Sr+2],
,,7GSP,,,,,,,
,,,PO4:A:105,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:106,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SGP:A:107,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,,SGP:B:108,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,3GSP,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,,SGP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,3HOH,,,,,,,
,,,2GP:A:107,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:108,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:109,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:C:110,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:D:111,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:C:105,Part of Protein,,,,,[Ca+2],
,,,CA:D:106,Part of Protein,,,,,[Ca+2],
,,1LOY,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,,1BU4,,,,,,,
,,,2GP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,2GSP,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CA:A:107,Part of Protein,,,,,[Ca+2],
,,,SGP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,1RGL,,,,,,,
,,,2GP:A:105,valid,Kd,=,37,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,1TRQ,,,,,,,
,,,2GP:A:105,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:305,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:106,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,4BU4,,,,,,,
,,,2GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,CA:A:105,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1FUT,,,,,,,
,,,2GP:A:108,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1GOY,,,,,,,
,,,3GP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
4.2.2.12,,,,,,,,,
,Family. Representative Entry is ,2E22,,,,,,,
,,,MAN:A:1001,valid,Ki,=,837,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1J0N,,,,,,,
,,,CA:A:779,Part of Protein,,,,,[Ca+2],
,,,CEG:A:780,valid,,,,,C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O,
,,1X1I,,,,,,,
,,,46M:A:780,valid,,,,,C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O)O)O)C(=O)O,
,,1X1J,,,,,,,
,,,46D:A:2001,valid,,,,,C[C@@]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(=O)O)O)O)O)O)O)C(=O)O,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
2.4.1.221,,,,,,,,,
,Family. Representative Entry is ,5KY5,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,5KY7,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC:B:1001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5KY3,,,,,,,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GFB:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,5KY2,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,BGC:B:1001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5KXH,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5KY9,,,,,,,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5KY0,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5KY8,,,,,,,
,,,BGC:B:1001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5UXH,,,,,,,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GFB:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GFB:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,Family. Representative Entry is ,3ZY6,,,,,,,
,,,GFB:A:1381,valid,Kd,=,0.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,3ZY3,,,,,,,
,,,GDP:A:1384,valid,Kd,=,0.35,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1381,valid,Kd,=,0.35,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:1382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZY5,,,,,,,
,,,BTB:A:1387,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,GFB:A:1386,valid,Kd,=,0.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,SO4:A:1382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZY2,,,,,,,
,,,GDP:A:1381,valid,Kd,=,0.35,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:1380,invalid,,,,,[Mn+2],
,Family. Representative Entry is ,5KY4,,,,,,,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PGO:A:405,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:404,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:406,invalid,,,,,C[C@@H](CO)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5KXQ,,,,,,,
,,,NA:C:404,Part of Protein,,,,,[Na+],
,,,NAG:C:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GDP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5FOE,,,,,,,
,,,NAG:A:1427,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1427,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:B:1431,invalid,,,,,C(CO)O,
,,,EDO:A:1430,invalid,,,,,C(CO)O,
,,,EDO:A:1429,invalid,,,,,C(CO)O,
,,,EDO:A:1433,invalid,,,,,C(CO)O,
,,,EDO:B:1432,invalid,,,,,C(CO)O,
,,,EDO:A:1431,invalid,,,,,C(CO)O,
,,,EDO:B:1429,invalid,,,,,C(CO)O,
,,,EDO:B:1428,invalid,,,,,C(CO)O,
,,,EDO:A:1432,invalid,,,,,C(CO)O,
,,,EDO:B:1430,invalid,,,,,C(CO)O,
,,,GDP:A:1428,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1426,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
1.14.99.1,,,,,,,,,
,Family. Representative Entry is ,3LN0,,,,,,,
,,,52B:A:701,valid,ic50,=,0.01,uM,c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl,
,,,52B:B:701,valid,ic50,=,0.01,uM,c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl,
,,,52B:C:701,valid,ic50,=,0.01,uM,c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl,
,,,52B:D:701,valid,ic50,=,0.01,uM,c1c(cc(c2c1C=C([C@H](O2)C(F)(F)F)C(=O)O)Cl)Cl,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HEM:A:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6OFY,,,,,,,
,,,ACD:A:608,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:606,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,COH:B:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:A:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,NAG NAG:B:602,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:602,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BOG:A:606,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,AKR:A:607,invalid,,,,,C=CC(=O)O,
,,3KRK,,,,,,,
,,,ACD:A:700,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:700,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,AKR:A:622,valid,,,,,C=CC(=O)O,
,,,AKR:A:623,valid,,,,,C=CC(=O)O,
,,,AKR:B:622,valid,,,,,C=CC(=O)O,
,,,AKR:B:623,valid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:625,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:626,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:624,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:624,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:F:1,Part of Protein,,,,,,
,,3OLT,,,,,,,
,,,ACD:A:620,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:1,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:621,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,3NTG,,,,,,,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,D72:A:701,valid,ic50,=,0.028,uM,CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl,
,,,D72:B:701,valid,ic50,=,0.028,uM,CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl,
,,,D72:C:701,valid,ic50,=,0.028,uM,CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl,
,,,D72:D:701,valid,ic50,=,0.028,uM,CC(C)COc1c(cc2c(c1Cl)O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3NT1,,,,,,,
,,,BOG:A:3,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:6,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:620,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:3,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,HEM:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:9,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NPS:A:5,valid,ic50,=,0.9,uM,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPS:B:4,valid,ic50,=,0.9,uM,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,4M11,,,,,,,
,,,NAG:C:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MXM:D:606,valid,ic50,=,150,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,,MXM:A:606,valid,ic50,=,150,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,,MXM:C:606,valid,ic50,=,150,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,,MXM:B:606,valid,ic50,=,150,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,,HEM:D:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BOG:C:607,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:607,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3PGH,,,,,,,
,,,FLP:A:701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,FLP:B:701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,FLP:C:701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,FLP:D:701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,HEM:A:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:671,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:671,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:671,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:671,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1CVU,,,,,,,
,,,ACD:A:701,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:2701,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:2702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:2704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN MAN:G:1,Part of Protein,,,,,,
,,,THR LYS THR ALA THR ILE ASN ALA SER:F:2595,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCCC[NH3+])C(O)C)C)C(O)C)C(CC)C)CC(=O)N)C)CO,
,,3MDL,,,,,,,
,,,1AG:A:1,valid,,,,,CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO)O,
,,,1AG:B:1,valid,,,,,CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO)O,
,,,AKR:A:2,invalid,,,,,C=CC(=O)O,
,,,AKR:A:3,invalid,,,,,C=CC(=O)O,
,,,AKR:B:3,invalid,,,,,C=CC(=O)O,
,,,AKR:B:4,invalid,,,,,C=CC(=O)O,
,,,AKR:B:5,invalid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:614,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:615,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,3Q7D,,,,,,,
,,,BOG:A:3,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:6,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:620,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:3,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:620,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,HEM:A:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:682,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:671,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:9,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:661,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:671,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:9,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NPX:A:1591,valid,ic50,=,430,nM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPX:B:1591,valid,ic50,=,430,nM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,4Z0L,,,,,,,
,,,N1B:B:707,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,N1B:A:707,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,N1B:D:707,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,N1B:C:707,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,4LA:A:706,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,4LA:D:706,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,4LA:C:706,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,4LA:B:706,valid,ic50,=,0.051,uM,B123B45B167B289B31B823B966B744B622[C@@]45C321C(=O)n1c(c(c2c1ccc(c2)OC)CC(=O)OC)C,
,,,NAG:C:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BOG:B:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:709,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,HEM:D:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3HS5,,,,,,,
,,,ACD:A:1,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:1,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,AKR:A:2,valid,,,,,C=CC(=O)O,
,,,AKR:A:3,valid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:B:10,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,3TZI,,,,,,,
,,,ACD:A:1,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:1,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,AKR:A:10,invalid,,,,,C=CC(=O)O,
,,,AKR:A:9,invalid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,NAG:A:681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,invalid,,,,,,
,,3QH0,,,,,,,
,,,AKR:A:2,invalid,,,,,C=CC(=O)O,
,,,AKR:A:3,invalid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:626,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:627,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:619,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,EDO:B:621,invalid,,,,,C(CO)O,
,,,EDO:B:622,invalid,,,,,C(CO)O,
,,,EDO:B:623,invalid,,,,,C(CO)O,
,,,EDO:B:624,invalid,,,,,C(CO)O,
,,,EDO:B:625,invalid,,,,,C(CO)O,
,,,EDO:B:626,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,HSQ NAG:C:1,Part of Protein,,,,,,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NDG:E:1,Part of Protein,,,,,,
,,,PLM:A:625,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3OLU,,,,,,,
,,,1AG:A:619,valid,,,,,CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO)O,
,,,1AG:B:1,valid,,,,,CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:620,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:15,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,4M10,,,,,,,
,,,HEM:A:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BOG:B:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ICD:B:706,valid,,,,,Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O,
,,,ICD:A:706,valid,,,,,Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O,
,,,ICD:C:706,valid,,,,,Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O,
,,,ICD:D:706,valid,,,,,Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O,
,,4OTJ,,,,,,,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,HEM:D:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:706,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:B:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,IXP:D:707,valid,ic50,=,0.29,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6,
,,,IXP:A:706,valid,ic50,=,0.29,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6,
,,,IXP:B:707,valid,ic50,=,0.29,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6,
,,,IXP:C:706,valid,ic50,=,0.29,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)NCCCCNC(=O)CCC(=O)O[C@@H]4c5cc6c(cc5[C@@H]([C@H]7[C@H]4COC7=O)c8cc(c(c(c8)OC)OC)OC)OCO6,
,,,BOG:D:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5W58,,,,,,,
,,,NAG NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FF8:A:709,valid,ic50,=,39,nM,CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[C@H](C)C(=O)O,
,,,BOG:A:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HEM:A:708,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4OTY,,,,,,,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BOG:B:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,LUR:A:705,valid,ic50,=,0.04,uM,Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F,
,,,LUR:B:705,valid,ic50,=,0.04,uM,Cc1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)F,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3NTB,,,,,,,
,,,BOG:A:7,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:6,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:5,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:8,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HEM:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,T1N:A:3,valid,ic50,=,0.67,uM,C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O,
,,,T1N:B:1,valid,ic50,=,0.67,uM,C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O,
,,,T1N:C:2,valid,ic50,=,0.67,uM,C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O,
,,,T1N:D:4,valid,ic50,=,0.67,uM,C[C@@H](c1ccc2cc(ccc2c1)SC)C(=O)O,
,,4PH9,,,,,,,
,,,IBP:A:601,valid,,,,,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O,
,,,IBP:B:601,valid,,,,,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O,
,,,AKR:A:610,invalid,,,,,C=CC(=O)O,
,,,AKR:A:609,invalid,,,,,C=CC(=O)O,
,,,AKR:B:610,invalid,,,,,C=CC(=O)O,
,,,AKR:B:611,invalid,,,,,C=CC(=O)O,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:618,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:B:617,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,BOG:A:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:603,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:603,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:E:1,invalid,,,,,,
,,4E1G,,,,,,,
,,,AKR:A:712,invalid,,,,,C=CC(=O)O,
,,,AKR:A:713,invalid,,,,,C=CC(=O)O,
,,,BOG:A:709,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,LNL:A:701,valid,,,,,CCC=CCC=CCC=C/CCCCCCCC(=O)O,
,,,LNL:B:701,valid,,,,,CCC=CCC=CCC=C/CCCCCCCC(=O)O,
,,,NAG:A:708,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:707,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,invalid,,,,,,
,,4RUT,,,,,,,
,,,LM8:C:706,valid,Ki,=,250,uM,CCCCC/C=C[C@H](C)/C=CC/C=CC/C=CCCCC(=O)O,
,,,LM8:B:706,valid,Ki,=,250,uM,CCCCC/C=C[C@H](C)/C=CC/C=CC/C=CCCCC(=O)O,
,,,LM8:D:706,valid,Ki,=,250,uM,CCCCC/C=C[C@H](C)/C=CC/C=CC/C=CCCCC(=O)O,
,,,LM8:A:706,valid,Ki,=,250,uM,CCCCC/C=C[C@H](C)/C=CC/C=CC/C=CCCCC(=O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,COH:C:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:A:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:D:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:705,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,BOG:D:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3HS6,,,,,,,
,,,AKR:A:2,valid,,,,,C=CC(=O)O,
,,,AKR:A:3,valid,,,,,C=CC(=O)O,
,,,AKR:B:2,valid,,,,,C=CC(=O)O,
,,,AKR:B:3,valid,,,,,C=CC(=O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:B:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,EDO:B:621,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EPA:A:1,valid,,,,,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,EPA:B:1,valid,,,,,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NDG:E:1,Part of Protein,,,,,,
,,3LN1,,,,,,,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CEL:A:682,valid,,,,,Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,
,,,CEL:B:682,valid,,,,,Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,
,,,CEL:C:682,valid,,,,,Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,
,,,CEL:D:682,valid,,,,,Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,
,,,HEM:A:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:661,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:681,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4O1Z,,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MXM:B:807,valid,ic50,=,990,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,,MXM:A:807,valid,ic50,=,990,nM,Cc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O,
,,1Q4G,,,,,,,
,,,BFL:A:701,valid,,,,,C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O,
,,,BFL:B:1701,valid,,,,,C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O,
,,,BOG:A:751,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:752,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:753,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:754,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1750,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1751,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1752,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1753,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:759,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1758,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1759,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1760,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG BMA BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA BMA:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,,NAG NDG BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NDG BMA MAN MAN:E:1,Part of Protein,,,,,,
,,2AYL,,,,,,,
,,,BOG:A:751,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:752,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:753,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:754,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1750,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1751,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1753,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FLP:A:1701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,FLP:B:2701,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,GOL:A:758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:759,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:760,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1759,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1760,invalid,,,,,C(C(CO)O)O,
,,,MNH:A:601,Part of Protein,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,MNH:B:1601,Part of Protein,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,Family. Representative Entry is ,5IKR,,,,,,,
,,,COH:B:603,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,BOG:A:609,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:601,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:608,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:607,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NH4:B:609,invalid,,,,,[NH4+],
,,,NH4:A:610,invalid,,,,,[NH4+],
,,,NH4:A:612,invalid,,,,,[NH4+],
,,,NH4:B:608,invalid,,,,,[NH4+],
,,,NH4:A:611,invalid,,,,,[NH4+],
,,,NAG:B:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN:D:1,invalid,,,,,,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,ID8:B:602,valid,,,,,Cc1cccc(c1C)Nc2ccccc2C(=O)O,
,,,ID8:A:601,valid,,,,,Cc1cccc(c1C)Nc2ccccc2C(=O)O,
,,5IKQ,,,,,,,
,,,JMS:A:602,valid,,,,,Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl,
,,,JMS:B:602,valid,,,,,Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl,
,,,NAG NAG MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG MAN MAN:C:1,invalid,,,,,,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BOG:A:601,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COH:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:A:609,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,AKR:A:610,invalid,,,,,C=CC(=O)O,
,,,AKR:B:609,invalid,,,,,C=CC(=O)O,
,,,AKR:B:610,invalid,,,,,C=CC(=O)O,
,,5IKT,,,,,,,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:610,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:611,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:610,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,COH:B:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,TLF:B:601,valid,,,,,Cc1c(cccc1Cl)Nc2ccccc2C(=O)O,
,,,TLF:A:601,valid,,,,,Cc1c(cccc1Cl)Nc2ccccc2C(=O)O,
,,,NAG NAG MAN:E:1,invalid,,,,,,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
3.4.23.6,,,,,,,,,
,Family. Representative Entry is ,5APR,,,,,,,
,,,CA:I:400,Part of Protein,,,,,[Ca+2],
,,,HIS PRO PHE CYS STA LEU PHE DHL:I:3,valid,Ki,<,17,nM,,
,,3APR,,,,,,,
,,,DHI PRO PHE HIS PUK VAL TYR:I:2,valid,,,,,,
,,6APR,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:1,valid,Ki,<,17,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,4APR,,,,,,,
,,,IVA HIS PRO PHE HIS STA LEU PHE:I:3,valid,Ki,=,200,nM,,
3.1.30.1,,,,,,,,,
,Family. Representative Entry is ,5FBF,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,DCM:A:601,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:A:602,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5FBB,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,CA:A:902,invalid,,,,,[Ca+2],
,,,CA:B:902,invalid,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,NA:B:801,Part of Protein,,,,,[Na+],
,,,BTB:A:1002,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:1001,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:1001,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:1002,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AMP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ETE:A:1101,invalid,,,,,COCCOCCOCCOCCO,
,,5FBC,,,,,,,
,,,AS:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=S)(O)O)O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,5FBD,,,,,,,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DCZ:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,5FBG,,,,,,,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GNG:B:701,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,DCZ:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,DCZ:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,Family. Representative Entry is ,1AK0,,,,,,,
,,,ADS THS THS THS:A:292,valid,,,,,S=P([S-])(OCC1C(OP(=S)([S-])OCC2C(OP(=S)([S-])OCC3C(O)CC(N4C(=O)NC(=O)C(C)=C4)O3)CC(N3C(=O)NC(=O)C(C)=C3)O2)CC(N2C(=O)NC(=O)C(C)=C2)O1)OC1C(CO)OC(n2c3ncnc(N)c3nc2)C1,
,,,NAG:A:285,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:287,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:271,Part of Protein,,,,,[Zn+2],
,,,ZN:A:272,Part of Protein,,,,,[Zn+2],
,,,ZN:A:273,Part of Protein,,,,,[Zn+2],
,,,ZN:A:274,Part of Protein,,,,,[Zn+2],
3.5.1.28,,,,,,,,,
,Family. Representative Entry is ,2Y2B,,,,,,,
,,,AH0:A:1000,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,MHI:A:1001,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N,
,,,ZN:A:1180,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1180,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1180,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4KNL,,,,,,,
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:C:505,Part of Protein,,,,,[Na+],
,,,NA:D:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,,MUB ALA ZGL ALY DAL NH2:F:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)N)CCCCNC(=O)C)C,
,,,MUB ALA ZGL ALY DAL NH2:G:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)N)CCCCNC(=O)C)C,
,,,TAR:C:504,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,MPD:C:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,IMD:D:501,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:501,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:501,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:501,invalid,,,,,c1c[nH+]c[nH]1,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,OXM:B:505,invalid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,3D2Y,,,,,,,
,,,AH0 ALA FGA LYS:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(O)C2OC(C1NC(=O)C)OC2)C)C)CCC(=O)NC(C(=O)[O-])CCCC[NH3+],
,,,GOL:A:262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:263,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1H8G,,,,,,,
,,,CHT:A:401,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:402,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:403,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:404,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:405,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:406,valid,,,,,C[N+](C)(C)CCO,
,Family. Representative Entry is ,4M6G,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ALA ZGL:A:403,valid,,,,,O=C(NC(C(=O)N)CCC(=O)[O-])C([NH3+])C,
,Family. Representative Entry is ,4X36,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CHT:A:408,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:412,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:411,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:410,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:409,valid,,,,,C[N+](C)(C)CCO,
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1XOV,,,,,,,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,GLU LYS:A:2001,valid,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1008,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
2.7.1.100,,,,,,,,,
,Family. Representative Entry is ,2PUL,,,,,,,
,,,ACP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CPS:A:777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,2PUN,,,,,,,
,,,ACP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CPS:A:777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,SR1:A:998,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
,,,SR1:B:998,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
,,2OLC,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CPS:A:777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,2PUI,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CPS:B:777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PYW,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:888,invalid,,,,,[Cl-],
,,,CL:B:888,invalid,,,,,[Cl-],
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,SR1:A:998,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
,,,SR1:B:998,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
3.2.1.145,,,,,,,,,
,Family. Representative Entry is ,7BYS,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CIT:A:504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:506,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,7BYX,,,,,,,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GAL GAL GAL:S:1,invalid,,,,,,
,,,GAL GAL GAL:P:1,valid,,,,,,
,,,GAL GAL GAL:H:1,valid,,,,,,
,,,GAL GAL GAL:L:1,valid,,,,,,
,,,CA:D:507,Part of Protein,,,,,[Ca+2],
,,,CA:C:508,Part of Protein,,,,,[Ca+2],
,,,CA:B:508,Part of Protein,,,,,[Ca+2],
,,,CA:A:510,Part of Protein,,,,,[Ca+2],
,,,NAG NAG MAN:Q:1,invalid,,,,,,
,,,NAG NAG MAN:F:1,invalid,,,,,,
,,,NAG NAG MAN:K:1,invalid,,,,,,
,,,NAG NAG MAN:E:1,invalid,,,,,,
,,,NAG NAG MAN:G:1,invalid,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ACT:A:514,invalid,,,,,CC(=O)[O-],
,,,ACT:B:512,invalid,,,,,CC(=O)[O-],
,,,ACT:D:514,invalid,,,,,CC(=O)[O-],
,,,ACT:D:517,invalid,,,,,CC(=O)[O-],
,,,ACT:C:513,invalid,,,,,CC(=O)[O-],
,,,ACT:B:515,invalid,,,,,CC(=O)[O-],
,,,ACT:C:515,invalid,,,,,CC(=O)[O-],
,,,ACT:A:517,invalid,,,,,CC(=O)[O-],
,,,ACT:D:516,invalid,,,,,CC(=O)[O-],
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NDG:N:1,invalid,,,,,,
,,,NAG NDG:I:1,invalid,,,,,,
,,7BYV,,,,,,,
,,,GAL:A:510,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL GAL GAL:C:1,valid,,,,,,
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,7BYT,,,,,,,
,,,ACT:A:510,invalid,,,,,CC(=O)[O-],
,,,ACT:A:511,invalid,,,,,CC(=O)[O-],
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,ACY:A:509,invalid,,,,,CC(=O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLA:A:506,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,GAL:A:507,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
1.1.2.3,,,,,,,,,
,Family. Representative Entry is ,1KBI,,,,,,,
,,,FMN:A:770,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:870,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HEM:A:760,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MPD:A:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:704,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:B:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:B:800,valid,,,,,CC(=O)C(=O)O,
,,1FCB,,,,,,,
,,,FMN:A:570,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:570,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HEM:A:560,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PYR:B:580,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,1KBJ,,,,,,,
,,,EDO:A:600,invalid,,,,,C(CO)O,
,,,EDO:B:700,invalid,,,,,C(CO)O,
,,,FMN:A:570,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:670,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
4.1.99.3,,,,,,,,,
,Family. Representative Entry is ,1QNF,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HDF:A:486,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O,
,,1OWM,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OWN,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OWL,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:487,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OWO,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OWP,,,,,,,
,,,FAD:A:485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4CDN,,,,,,,
,,,PGE:A:1467,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1469,invalid,,,,,C(COCCOCCO)O,
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1464,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1463,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1463,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1465,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1464,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1470,invalid,,,,,C(COCCO)O,
,,,PEG:A:1471,invalid,,,,,C(COCCO)O,
,,,PEG:A:1468,invalid,,,,,C(COCCO)O,
,,,PEG:A:1472,invalid,,,,,C(COCCO)O,
,,,FO1:A:999,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,FO1:B:999,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,SO4:A:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5O86,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,5O8D,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,2XRY,,,,,,,
,,,FAD:A:1463,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1473,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1474,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1469,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1470,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1471,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5O8E,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2J07,,,,,,,
,,,CL:A:1423,invalid,,,,,[Cl-],
,,,CL:A:1424,invalid,,,,,[Cl-],
,,,CL:A:1425,invalid,,,,,[Cl-],
,,,FAD:A:1421,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HDF:A:1422,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O,
,,,PO4:A:1426,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2J09,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,FAD:A:1421,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1422,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:1423,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1424,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1IQR,,,,,,,
,,,FAD:A:421,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:422,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1IQU,,,,,,,
,,,FAD:A:421,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:422,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDR:A:500,valid,,,,,CC1=CNC(=O)NC1=O,
,Family. Representative Entry is ,3UMV,,,,,,,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,URE:A:901,invalid,,,,,C(=O)(N)N,
,,,URE:A:902,invalid,,,,,C(=O)(N)N,
,,,URE:A:903,invalid,,,,,C(=O)(N)N,
,,,URE:A:904,invalid,,,,,C(=O)(N)N,
,,,URE:A:905,invalid,,,,,C(=O)(N)N,
,,,URE:B:901,invalid,,,,,C(=O)(N)N,
,,,URE:B:902,invalid,,,,,C(=O)(N)N,
,,,URE:B:904,invalid,,,,,C(=O)(N)N,
,,,URE:B:905,invalid,,,,,C(=O)(N)N,
,Family. Representative Entry is ,1DNP,,,,,,,
,,,FAD:A:472,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:472,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MHF:A:473,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,,,MHF:B:473,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
3.4.21.39,,,,,,,,,
,Family. Representative Entry is ,3N7O,,,,,,,
,,,N7O:A:1,valid,Ki,=,72,nM,C[P@@](=O)([C@@H](c1csc2c1cc(cc2)Cl)C(=O)N/C=C/c3ccc(c(c3)F)F)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,UNL:A:249,invalid,,,,,NULL,
,,,UNL:A:250,invalid,,,,,NULL,
,,4K60,,,,,,,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,1P8:A:703,valid,ic50,=,570,uM,c1cc2c(cc1Br)NC(=O)C2,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1T31,,,,,,,
,,,CO:A:909,Part of Protein,,,,,[Co+2],
,,,MES:A:910,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:302,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,OHH:A:901,valid,Ki,=,2.3,nM,CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4K5Z,,,,,,,
,,,1P7:A:703,valid,,,,,c1cc2c(cc1Cl)C(=O)NC2,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3S0N,,,,,,,
,,,0BB:A:230,valid,ic50,=,180,nM,Cc1cccc2c1c(cs2)CN3c4ccccc4N(C3=O)CCCC(=O)O,
,,,NAG:A:227,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:228,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:229,Part of Protein,,,,,[Zn+2],
,,5YJM,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,8W3:A:304,valid,Kd,=,0.000000064,M,CC[C@H](c1ccc(c(c1)N)C(=O)O)NC(=O)N2C/C(=N/Oc3ccccc3)/NC[C@H](C2=O)Cc4cc(ccc4OC)Cl,
,,4K2Y,,,,,,,
,,,ES2:A:303,valid,ic50,=,470,uM,c1cc2c(cc1Cl)NC(=O)C2,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5YJP,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,8W6:A:304,valid,ic50,=,0.24,uM,CC[C@H](c1ccc(cc1)C(=O)O)NC(=O)N2C/C(=N/OCC)/NC[C@H](C2=O)Cc3cc(ccc3OC)Cl,
,,4K69,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,1P9:A:304,valid,ic50,=,0.04,uM,CCC[C@@H](CC(=O)O)N1c2ccccc2N(C1=O)Cc3cc(cc4c3CC(=O)N4)Br,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
3.5.4.16,,,,,,,,,
,Family. Representative Entry is ,1WUR,,,,,,,
,,,8DG:A:821,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:A:825,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:C:822,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:D:823,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:D:824,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,,1WUQ,,,,,,,
,,,8GT:A:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,8GT:A:815,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,8GT:C:812,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,8GT:C:813,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,8GT:D:814,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1A8R,,,,,,,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:405,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:G:407,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:H:408,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:I:409,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:J:410,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:K:411,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:L:412,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:M:413,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:N:414,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:O:415,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6Z86,,,,,,,
,,,QBQ:D:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:S:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:B:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:M:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:H:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:I:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:L:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:E:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:J:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:N:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:O:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:R:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:P:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:Q:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:G:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:F:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:A:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:T:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:C:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,QBQ:K:302,valid,Kd,=,798,uM,c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,ZN:K:301,Part of Protein,,,,,[Zn+2],
,,,ZN:N:301,Part of Protein,,,,,[Zn+2],
,,,ZN:M:301,Part of Protein,,,,,[Zn+2],
,,,ZN:P:301,Part of Protein,,,,,[Zn+2],
,,,ZN:L:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:O:301,Part of Protein,,,,,[Zn+2],
,,,ZN:J:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:T:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:R:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:S:301,Part of Protein,,,,,[Zn+2],
,,,ZN:I:301,Part of Protein,,,,,[Zn+2],
,,6Z89,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,QBK:E:302,valid,,,,,C12=NC(=O)SC1=NC(=NC2=O)N,
,,,QBK:A:301,valid,,,,,C12=NC(=O)SC1=NC(=NC2=O)N,
1.1.1.268,,,,,,,,,
,Family. Representative Entry is ,2CFC,,,,,,,
,,,KPC:A:1252,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,KPC:B:1252,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,KPC:C:1252,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,KPC:D:1252,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,NAD:A:1251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.4.1.4,,,,,,,,,
,Family. Representative Entry is ,5GUD,,,,,,,
,,,2IT:B:501,valid,,,,,[H]/N=C(/CCC(=O)O)C(=O)O,
,,,2IT:A:501,valid,,,,,[H]/N=C(/CCC(=O)O)C(=O)O,
,,,2IT:F:501,valid,,,,,[H]/N=C(/CCC(=O)O)C(=O)O,
,,,2IT:C:501,valid,,,,,[H]/N=C(/CCC(=O)O)C(=O)O,
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:F:504,Part of Protein,,,,,[K+],
,,,K:E:505,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:D:501,Part of Protein,,,,,[K+],
,,,K:E:504,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:E:501,Part of Protein,,,,,[K+],
,,,K:F:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:E:506,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,NDP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CIT:E:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5IJZ,,,,,,,
,,,NAP:G:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AKG:D:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:H:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:G:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:J:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
4.1.3.7,,,,,,,,,
,Family. Representative Entry is ,1CSI,,,,,,,
,,,CMX:A:700,valid,Ki,=,1.6,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,1CSS,,,,,,,
,,,FCX:A:700,valid,Ki,=,0.8,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@@H](C(=O)O)F)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,1CSR,,,,,,,
,,,FAM:A:700,valid,Ki,=,42,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCC[C@H](C(=O)N)F)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,1CSH,,,,,,,
,,,AMX:A:700,valid,Ki,=,28,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)N)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,2CSC,,,,,,,
,,,CMC:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O,
,,,MLT:A:702,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,6CSC,,,,,,,
,,,CIT:A:701,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:701,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,COF:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O,
,,,COF:B:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)C(F)(F)F)O,
,,3CSC,,,,,,,
,,,ACO:A:700,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,LMR:A:702,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,2CTS,,,,,,,
,,,CIT:A:439,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,COA:A:438,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5CTS,,,,,,,
,,,CMC:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,4CSC,,,,,,,
,,,ACO:A:700,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MLT:A:702,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,1CSC,,,,,,,
,,,CMC:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O,
,,,LMR:A:702,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,1AL6,,,,,,,
,,,HAX:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)NO)O,
,,,OAA:A:702,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,6CTS,,,,,,,
,,,CIC:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC[C@@](CC(=O)O)(C(=O)O)O)O,
,,1AMZ,,,,,,,
,,,MLT:A:702,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,NMX:A:700,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCC[N+](=O)[O-])O,
,Family. Representative Entry is ,1IXE,,,,,,,
,,,CIT:A:405,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:406,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:407,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:408,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:404,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:414,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:381,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:389,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1AJ8,,,,,,,
,,,CIT:A:1000,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2000,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,COA:A:3000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:4000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
5.3.1.9,,,,,,,,,
,Family. Representative Entry is ,2O2C,,,,,,,
,,,G6Q:A:5001,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:5002,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:C:5003,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:7001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7006,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:7003,invalid,,,,,C(C(CO)O)O,
,,2O2D,,,,,,,
,,,CIT:A:5001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:5002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:5003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:7001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7002,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:7003,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2GC0,,,,,,,
,,,PAN:A:901,valid,Ki,=,3,uM,C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O,
,,,PAN:B:902,valid,Ki,=,3,uM,C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
,,1QY4,,,,,,,
,,,6PG:A:300,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:301,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,NI:A:210,Part of Protein,,,,,[Ni+2],
,,,NI:B:211,Part of Protein,,,,,[Ni+2],
,,1X7N,,,,,,,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,PA5:A:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,1QXR,,,,,,,
,,,NI:A:200,Part of Protein,,,,,[Ni+2],
,,,NI:B:201,Part of Protein,,,,,[Ni+2],
,,,PA5:A:300,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:B:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,2GC3,,,,,,,
,,,M6P:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,1X82,,,,,,,
,,,PA5:A:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,2GC2,,,,,,,
,,,F6R:A:501,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:502,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2GC1,,,,,,,
,,,S6P:A:502,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:501,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2CXS,,,,,,,
,,,F6P:A:1601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:2601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,2CXR,,,,,,,
,,,6PG:A:1601,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:2601,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,2CXQ,,,,,,,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,,S6P:A:1601,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:2601,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,2CXO,,,,,,,
,,,DER:A:1601,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DER:B:2601,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,2CXT,,,,,,,
,,,F6P:A:1601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:2601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,2CXP,,,,,,,
,,,A5P:A:1601,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:2601,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,GOL:A:1701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1703,invalid,,,,,C(C(CO)O)O,
,,1U0G,,,,,,,
,,,BME:A:962,invalid,,,,,C(CS)O,
,,,BME:A:963,invalid,,,,,C(CS)O,
,,,BME:A:964,invalid,,,,,C(CS)O,
,,,BME:B:961,invalid,,,,,C(CS)O,
,,,BME:B:966,invalid,,,,,C(CS)O,
,,,E4P:A:901,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:B:902,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:972,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:951,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:954,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:956,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:952,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:953,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:955,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:957,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1U0F,,,,,,,
,,,BME:B:1011,invalid,,,,,C(CS)O,
,,,G6P:A:900,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6Q:A:901,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:1021,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1023,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1024,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1025,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1026,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1027,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1030,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1031,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1032,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1022,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1028,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1029,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1T10,,,,,,,
,,,F6P:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1J3R,,,,,,,
,,,6PG:A:600,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:601,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,1X9I,,,,,,,
,,,G6Q:A:600,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:601,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,1X9H,,,,,,,
,,,F6R:A:701,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:700,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TZC,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,PA5:A:600,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:B:601,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:454,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1KOJ,,,,,,,
,,,PAN:A:902,valid,Ki,=,0.2,uM,C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O,
,,,PAN:B:901,valid,Ki,=,0.2,uM,C([C@H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)O,
,,1G98,,,,,,,
,,,PA5:A:558,valid,Ki,=,2,uM,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:B:558,valid,Ki,=,2,uM,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,6XUI,,,,,,,
,,,PG6:D:601,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:B:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:A:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:C:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PA5:D:602,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:B:601,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:A:601,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:C:601,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,6XUH,,,,,,,
,,,PA5:C:600,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,PA5:A:600,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,O1B:D:600,valid,Ki,=,0.7,uM,C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N,
,,,O1B:B:600,valid,Ki,=,0.7,uM,C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N,
,,1IRI,,,,,,,
,,,E4P:A:601,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:B:602,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:C:603,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:D:604,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,1XTB,,,,,,,
,,,S6P:A:2002,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:2001,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,1HOX,,,,,,,
,,,F6P:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,1DQR,,,,,,,
,,,6PG:A:600,valid,Ki,=,43,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:601,valid,Ki,=,43,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1C7R,,,,,,,
,,,PA5:A:500,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O,
1.14.13.225,,,,,,,,,
,Family. Representative Entry is ,6ICI,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.3.99.3,,,,,,,,,
,Family. Representative Entry is ,1UDY,,,,,,,
,,,CS8:A:400,valid,,,,,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CS8:B:1400,valid,,,,,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CS8:C:2400,valid,,,,,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CS8:D:3400,valid,,,,,CCCCCSCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:3399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3MDE,,,,,,,
,,,CO8:A:400,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:B:400,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3MDD,,,,,,,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1EGD,,,,,,,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3PFD,,,,,,,
,,,FDA:A:390,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:390,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:390,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:390,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IOD:A:391,invalid,,,,,[I-],
,,,IOD:A:392,invalid,,,,,[I-],
,,,IOD:A:393,invalid,,,,,[I-],
,,,IOD:A:394,invalid,,,,,[I-],
,,,IOD:A:395,invalid,,,,,[I-],
,,,IOD:A:396,invalid,,,,,[I-],
,,,IOD:A:397,invalid,,,,,[I-],
,,,IOD:A:398,invalid,,,,,[I-],
,,,IOD:A:399,invalid,,,,,[I-],
,,,IOD:A:400,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:A:411,invalid,,,,,[I-],
,,,IOD:A:412,invalid,,,,,[I-],
,,,IOD:A:413,invalid,,,,,[I-],
,,,IOD:A:414,invalid,,,,,[I-],
,,,IOD:A:415,invalid,,,,,[I-],
,,,IOD:A:416,invalid,,,,,[I-],
,,,IOD:A:417,invalid,,,,,[I-],
,,,IOD:A:418,invalid,,,,,[I-],
,,,IOD:A:419,invalid,,,,,[I-],
,,,IOD:A:420,invalid,,,,,[I-],
,,,IOD:A:421,invalid,,,,,[I-],
,,,IOD:B:391,invalid,,,,,[I-],
,,,IOD:B:392,invalid,,,,,[I-],
,,,IOD:B:393,invalid,,,,,[I-],
,,,IOD:B:394,invalid,,,,,[I-],
,,,IOD:B:395,invalid,,,,,[I-],
,,,IOD:B:396,invalid,,,,,[I-],
,,,IOD:B:397,invalid,,,,,[I-],
,,,IOD:B:398,invalid,,,,,[I-],
,,,IOD:B:399,invalid,,,,,[I-],
,,,IOD:B:400,invalid,,,,,[I-],
,,,IOD:B:401,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:B:407,invalid,,,,,[I-],
,,,IOD:B:408,invalid,,,,,[I-],
,,,IOD:B:409,invalid,,,,,[I-],
,,,IOD:B:410,invalid,,,,,[I-],
,,,IOD:B:411,invalid,,,,,[I-],
,,,IOD:B:412,invalid,,,,,[I-],
,,,IOD:B:413,invalid,,,,,[I-],
,,,IOD:B:414,invalid,,,,,[I-],
,,,IOD:B:415,invalid,,,,,[I-],
,,,IOD:B:416,invalid,,,,,[I-],
,,,IOD:B:417,invalid,,,,,[I-],
,,,IOD:B:418,invalid,,,,,[I-],
,,,IOD:C:391,invalid,,,,,[I-],
,,,IOD:C:392,invalid,,,,,[I-],
,,,IOD:C:393,invalid,,,,,[I-],
,,,IOD:C:394,invalid,,,,,[I-],
,,,IOD:C:395,invalid,,,,,[I-],
,,,IOD:C:396,invalid,,,,,[I-],
,,,IOD:C:397,invalid,,,,,[I-],
,,,IOD:C:398,invalid,,,,,[I-],
,,,IOD:C:399,invalid,,,,,[I-],
,,,IOD:C:400,invalid,,,,,[I-],
,,,IOD:C:401,invalid,,,,,[I-],
,,,IOD:C:402,invalid,,,,,[I-],
,,,IOD:C:403,invalid,,,,,[I-],
,,,IOD:C:404,invalid,,,,,[I-],
,,,IOD:C:405,invalid,,,,,[I-],
,,,IOD:C:406,invalid,,,,,[I-],
,,,IOD:C:407,invalid,,,,,[I-],
,,,IOD:C:408,invalid,,,,,[I-],
,,,IOD:C:409,invalid,,,,,[I-],
,,,IOD:C:410,invalid,,,,,[I-],
,,,IOD:C:411,invalid,,,,,[I-],
,,,IOD:C:412,invalid,,,,,[I-],
,,,IOD:D:391,invalid,,,,,[I-],
,,,IOD:D:392,invalid,,,,,[I-],
,,,IOD:D:393,invalid,,,,,[I-],
,,,IOD:D:394,invalid,,,,,[I-],
,,,IOD:D:395,invalid,,,,,[I-],
,,,IOD:D:396,invalid,,,,,[I-],
,,,IOD:D:397,invalid,,,,,[I-],
,,,IOD:D:398,invalid,,,,,[I-],
,,,IOD:D:399,invalid,,,,,[I-],
,,,IOD:D:400,invalid,,,,,[I-],
,,,IOD:D:401,invalid,,,,,[I-],
,,,IOD:D:402,invalid,,,,,[I-],
,,,IOD:D:403,invalid,,,,,[I-],
,,,IOD:D:404,invalid,,,,,[I-],
,,,IOD:D:405,invalid,,,,,[I-],
,,,IOD:D:406,invalid,,,,,[I-],
,,,IOD:D:407,invalid,,,,,[I-],
,,,IOD:D:408,invalid,,,,,[I-],
,,,IOD:D:409,invalid,,,,,[I-],
,,,IOD:D:410,invalid,,,,,[I-],
,,,IOD:D:411,invalid,,,,,[I-],
,,,IOD:D:412,invalid,,,,,[I-],
,,,IOD:D:413,invalid,,,,,[I-],
,,,IOD:D:414,invalid,,,,,[I-],
,,,IOD:D:415,invalid,,,,,[I-],
,,,IOD:D:416,invalid,,,,,[I-],
,,,IOD:D:417,invalid,,,,,[I-],
,,,IOD:D:418,invalid,,,,,[I-],
,Family. Representative Entry is ,1UKW,,,,,,,
,,,CO:B:411,Part of Protein,,,,,[Co+2],
,,,FAD:A:420,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:421,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.18.-.-,,,,,,,,,
,Family. Representative Entry is ,2XDQ,,,,,,,
,,,MGX:A:1463,valid,,,,,[H]/N=C(/N)NC,
,,,SF4:A:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:B:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FWY,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.1.6.8,,,,,,,,,
,Family. Representative Entry is ,1E2S,,,,,,,
,,,CSN:P:701,valid,,,,,c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O,
,,,MG:P:600,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
3.4.22.36,,,,,,,,,
,Family. Representative Entry is ,1SC3,,,,,,,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
2.4.1.155,,,,,,,,,
,Family. Representative Entry is ,5ZIC,,,,,,,
,,,BMA Z4Y NAG:C:1,valid,,,,,SCC1C(O)C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(OCC2C(O)C(O)C(O)C(O)O2)O1,
,,,BMA Z4Y NAG:D:1,valid,,,,,SCC1C(O)C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(OCC2C(O)C(O)C(O)C(O)O2)O1,
3.1.4.11,,,,,,,,,
,Family. Representative Entry is ,1MAI,,,,,,,
,,,I3P:A:200,valid,Kd,=,210,nM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2W2X,,,,,,,
,,,GSP:A:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1179,Part of Protein,,,,,[Mg+2],
,,,MG:B:1179,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2FJU,,,,,,,
,,,CA:B:1000,Part of Protein,,,,,[Ca+2],
,,,GSP:A:2466,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:179,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1DJX,,,,,,,
,,,ACT:A:5,invalid,,,,,CC(=O)[O-],
,,,ACT:B:5,invalid,,,,,CC(=O)[O-],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,I3P:A:1,valid,Kd,=,1.7,uM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:1,valid,Kd,=,1.7,uM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,1DJW,,,,,,,
,,,ACT:A:5,invalid,,,,,CC(=O)[O-],
,,,ACT:B:5,invalid,,,,,CC(=O)[O-],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:4,Part of Protein,,,,,[Ca+2],
,,,CIP:A:1,valid,,,,,C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O,
,,,CIP:B:1,valid,,,,,C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O,
,Family. Representative Entry is ,1YWO,,,,,,,
,,,GLN PRO PRO VAL PRO PRO GLN ARG PRO MET:P:1,valid,Kd,=,12.5,uM,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C4N(C(=O)C5N(C(=O)C([NH3+])CCC(=O)N)CCC5)CCC4)C(C)C)CCC3)CCC2)CCC(=O)N)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
2.1.1.198,,,,,,,,,
,Family. Representative Entry is ,5HW4,,,,,,,
,,,SAM:B:801,valid,Ka,=,42900,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:801,valid,Ka,=,42900,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:801,valid,Ka,=,42900,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
4.2.1.37,,,,,,,,,
,Family. Representative Entry is ,1EB9,,,,,,,
,,,HBA:A:1259,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:1260,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:1259,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:1260,valid,,,,,c1cc(ccc1C=O)O,
,,1E8D,,,,,,,
,,,CNH:A:1259,valid,,,,,CC(C)(C#N)O,
,,,CNH:A:1260,valid,,,,,CC(C)(C#N)O,
,,,CNH:A:1261,valid,,,,,CC(C)(C#N)O,
,,,CNH:B:1259,valid,,,,,CC(C)(C#N)O,
,,1DWQ,,,,,,,
,,,ATO:A:1259,valid,,,,,CC(=O)CCl,
3.2.1.52,,,,,,,,,
,Family. Representative Entry is ,5UTQ,,,,,,,
,,,OAN:B:401,valid,Ki,=,0.05,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:A:401,valid,Ki,=,0.05,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,MES:A:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5UTP,,,,,,,
,,,8M7:B:901,valid,Ki,=,3,uM,CCC(CC)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,8M7:A:900,valid,Ki,=,3,uM,CCC(CC)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,4MSS,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,2CZ:A:401,valid,Ki,=,3.6,uM,CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O,
,,,2CZ:B:401,valid,Ki,=,3.6,uM,CC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O,
,,5UTR,,,,,,,
,,,8MP:A:401,valid,Kd,=,7,uM,CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O,
,,,8MP:B:401,valid,Kd,=,7,uM,CCCC(=O)N[C@H]1CNC[C@@H]([C@H]([C@@H]1O)O)O,
,Family. Representative Entry is ,5ABH,,,,,,,
,,,YWN:B:1717,valid,Ki,=,1.7,nM,CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,,,YWN:A:1717,valid,Ki,=,1.7,nM,CCCCCN1[C@@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,,,EDO:B:1718,invalid,,,,,C(CO)O,
,,,EDO:A:1718,invalid,,,,,C(CO)O,
,,,CL:A:1716,invalid,,,,,[Cl-],
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,2XJ7,,,,,,,
,,,CA:A:1716,Part of Protein,,,,,[Ca+2],
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,,GC2:A:1000,valid,Kd,=,246,nM,CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,
,,,GC2:B:1000,valid,Kd,=,246,nM,CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,
,,2WZH,,,,,,,
,,,CA:A:1591,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1590,invalid,,,,,C(C(CO)O)O,
,,,NGO:A:1589,valid,,,,,CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O,
,,4AIU,,,,,,,
,,,CA:A:1590,Part of Protein,,,,,[Ca+2],
,,,GC3:A:1589,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC(=N2)CO)O)O)O,
,,2VVS,,,,,,,
,,,OAN:A:900,valid,Ki,=,46,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,2W66,,,,,,,
,,,CA:A:1717,Part of Protein,,,,,[Ca+2],
,,,CA:B:1719,Part of Protein,,,,,[Ca+2],
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,,HQ6:A:1716,valid,Ki,=,89,uM,CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O,
,,,HQ6:B:1716,valid,Ki,=,89,uM,CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O,
,,2X0H,,,,,,,
,,,14T:A:1000,valid,,,,,c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F,
,,,14T:B:1000,valid,,,,,c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)F)F)F,
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1719,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1720,invalid,,,,,C(C(CO)O)O,
,,5ABG,,,,,,,
,,,EDO:B:1717,invalid,,,,,C(CO)O,
,,,EDO:A:1716,invalid,,,,,C(CO)O,
,,,V0N:B:1718,valid,Ki,=,9,nM,CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O,
,,,V0N:A:1717,valid,Ki,=,9,nM,CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2ccc(cc2)F)CO)O)O,
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,4AIS,,,,,,,
,,,GOA:A:1716,valid,,,,,C(C(=O)O)O,
,,,GOA:B:1716,valid,,,,,C(C(=O)O)O,
,,,GOL:A:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,2XM1,,,,,,,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1718,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,,LTM:A:1717,valid,Kd,=,8.5,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O,
,,,LTM:B:1716,valid,Kd,=,8.5,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)CO)O)O,
,,2W4X,,,,,,,
,,,CA:A:1592,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1590,invalid,,,,,C(C(CO)O)O,
,,,STZ:A:1591,valid,Kd,=,14,uM,CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O,
,,4UR9,,,,,,,
,,,CA:B:1719,Part of Protein,,,,,[Ca+2],
,,,OAN:A:1718,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:B:1718,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,BK9:B:1717,valid,Kd,=,3.1,mM,CCOc1c2ccccc2ncn1,
,,,BK9:A:1717,valid,Kd,=,3.1,mM,CCOc1c2ccccc2ncn1,
,,2WCA,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,NP6:A:900,valid,,,,,CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,2VVN,,,,,,,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,NH4:A:1717,invalid,,,,,[NH4+],
,,,NHT:A:1718,valid,,,,,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NHT:B:1716,valid,,,,,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,5ABE,,,,,,,
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,,XQO:B:1717,valid,Ki,=,890,uM,CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,,,XQO:A:1716,valid,Ki,=,890,uM,CCCCCN1[C@H]([C@@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,,2J4G,,,,,,,
,,,ACT:A:1591,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1591,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1719,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1719,invalid,,,,,C(C(CO)O)O,
,,,NB1:A:1590,valid,Ki,=,0.25,uM,CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NB1:B:1590,valid,Ki,=,0.25,uM,CCCC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,5MI7,,,,,,,
,,,7NT:A:802,invalid,,,,,CCC(=O)Nc1nc(c2ccsc2n1)N3CCOCC3,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,OAN:A:801,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,5MI5,,,,,,,
,,,7NQ:A:802,invalid,,,,,CCC(=O)Nc1nc2ccccc2c(n1)OCC,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,OAN:A:801,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,2WZI,,,,,,,
,,,5FN:A:1719,valid,,,,,CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O,
,,,5FN:B:1721,valid,,,,,CC1=N[C@@H]2[C@H]([C@@H]([C@](O[C@@H]2O1)(CO)F)O)O,
,,,CA:A:1717,Part of Protein,,,,,[Ca+2],
,,,CA:B:1718,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1718,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,NA:B:1719,Part of Protein,,,,,[Na+],
,,,NA:B:1720,Part of Protein,,,,,[Na+],
,,2JIW,,,,,,,
,,,BEU:A:1594,valid,,,,,CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N,
,,,BEU:B:1594,valid,,,,,CC(=O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)N,
,,2W67,,,,,,,
,,,CA:A:1718,Part of Protein,,,,,[Ca+2],
,,,CA:B:1590,Part of Protein,,,,,[Ca+2],
,,,F34:A:1716,valid,Ki,=,11,uM,CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O,
,,,F34:B:1589,valid,Ki,=,11,uM,CC(=O)N[C@H]1CNC[C@H]([C@H]([C@@H]1O)O)O,
,,,GOL:A:1717,invalid,,,,,C(C(CO)O)O,
,,2XM2,,,,,,,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,,LOG:A:1000,valid,Ki,=,24,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,LOG:B:1000,valid,Ki,=,24,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,5MI6,,,,,,,
,,,7NQ:A:802,invalid,,,,,CCC(=O)Nc1nc2ccccc2c(n1)OCC,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,CA:A:806,Part of Protein,,,,,[Ca+2],
,,,NHT:A:801,valid,,,,,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,2J47,,,,,,,
,,,GDV:A:1590,valid,Ki,=,3.9,uM,CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)C(=O)Nc3ccccc3,
,,,GOL:A:1719,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2EPN,,,,,,,
,,,NGT:A:1650,valid,Ki,=,60,nM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGT:B:2650,valid,Ki,=,60,nM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,Family. Representative Entry is ,2J62,,,,,,,
,,,CL:A:1625,invalid,,,,,[Cl-],
,,,CL:A:1627,invalid,,,,,[Cl-],
,,,CL:B:1625,invalid,,,,,[Cl-],
,,,CL:B:1626,invalid,,,,,[Cl-],
,,,GSZ:A:1626,valid,Ki,=,4.6,pM,CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3,
,,,GSZ:B:1627,valid,Ki,=,4.6,pM,CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3,
,,2X0Y,,,,,,,
,,,X0T:A:1625,valid,Ki,=,25,uM,CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C,
,,,X0T:B:1625,valid,Ki,=,25,uM,CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C,
,,2XPK,,,,,,,
,,,Z0M:A:1625,valid,Ki,=,0.005,nM,c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS,
,,,Z0M:B:1625,valid,Ki,=,0.005,nM,c1ccc(cc1)CCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)NC(=O)CCS,
,,2WB5,,,,,,,
,,,CL:A:1625,invalid,,,,,[Cl-],
,,,CL:A:1626,invalid,,,,,[Cl-],
,,,CL:B:1625,invalid,,,,,[Cl-],
,,,CL:B:1626,invalid,,,,,[Cl-],
,,,CL:B:1627,invalid,,,,,[Cl-],
,,,NA:A:1627,invalid,,,,,[Na+],
,,,VGB:A:1628,valid,,,,,CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3,
,,,VGB:B:1628,valid,,,,,CCC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H]([C@@H]1O)O)CO)CCc3ccccc3,
,,2VUR,,,,,,,
,,,SO4:A:1627,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YX1:A:1626,valid,ic50,=,30,uM,CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO,
,,,YX1:B:1626,valid,ic50,=,30,uM,CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)NO,
,,2CBJ,,,,,,,
,,,CL:B:1626,invalid,,,,,[Cl-],
,,,CL:B:1627,invalid,,,,,[Cl-],
,,,OAN:A:1625,valid,Ki,=,5.4,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:B:1625,valid,Ki,=,5.4,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,7KHV,,,,,,,
,,,CA:E:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,SO4:F:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X1A:B:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,X1A:C:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,X1A:D:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,X1A:E:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,X1A:A:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,X1A:F:701,valid,ic50,=,3300,nM,Cc1cc(n2c(n1)ncn2)N3CCC4(C3)CN(C4)Cc5cnc(s5)NC(=O)C,
,,,CL:C:702,invalid,,,,,[Cl-],
,,,CL:D:703,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:F:702,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5FD0,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:601,valid,Ki,=,2.4,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JAK,,,,,,,
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,IFG:A:601,valid,Ki,=,2.7,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M01,,,,,,,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:507,valid,Kd,=,3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FCZ,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,TNX:A:601,valid,Ki,=,68,uM,CC(=S)NC1=CO[C@@H]([C@H]([C@@H]1O)O)CO,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,1HP5,,,,,,,
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,NGT:A:511,valid,,,,,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C7F,,,,,,,
,,,EDO:A:1505,invalid,,,,,C(CO)O,
,,,EDO:A:1504,invalid,,,,,C(CO)O,
,,,EDO:B:1498,invalid,,,,,C(CO)O,
,,,EDO:B:1503,invalid,,,,,C(CO)O,
,,,EDO:A:1502,invalid,,,,,C(CO)O,
,,,EDO:A:1508,invalid,,,,,C(CO)O,
,,,EDO:A:1503,invalid,,,,,C(CO)O,
,,,EDO:A:1509,invalid,,,,,C(CO)O,
,,,EDO:A:1510,invalid,,,,,C(CO)O,
,,,EDO:A:1495,invalid,,,,,C(CO)O,
,,,EDO:B:1502,invalid,,,,,C(CO)O,
,,,EDO:B:1500,invalid,,,,,C(CO)O,
,,,EDO:B:1506,invalid,,,,,C(CO)O,
,,,EDO:A:1500,invalid,,,,,C(CO)O,
,,,EDO:A:1496,invalid,,,,,C(CO)O,
,,,EDO:B:1496,invalid,,,,,C(CO)O,
,,,EDO:B:1509,invalid,,,,,C(CO)O,
,,,EDO:B:1505,invalid,,,,,C(CO)O,
,,,EDO:A:1499,invalid,,,,,C(CO)O,
,,,EDO:B:1499,invalid,,,,,C(CO)O,
,,,EDO:A:1498,invalid,,,,,C(CO)O,
,,,EDO:B:1495,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,EDO:B:1504,invalid,,,,,C(CO)O,
,,,EDO:B:1501,invalid,,,,,C(CO)O,
,,,EDO:A:1506,invalid,,,,,C(CO)O,
,,,EDO:B:1507,invalid,,,,,C(CO)O,
,,,EDO:B:1508,invalid,,,,,C(CO)O,
,,,EDO:B:1497,invalid,,,,,C(CO)O,
,,,EDO:A:1507,invalid,,,,,C(CO)O,
,,,EDO:A:1497,invalid,,,,,C(CO)O,
,,,GC2:B:1510,valid,,,,,CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,
,,,GC2:A:1511,valid,,,,,CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,
,,1M04,,,,,,,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:507,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C7G,,,,,,,
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,EDO:A:1505,invalid,,,,,C(CO)O,
,,,EDO:A:1503,invalid,,,,,C(CO)O,
,,,EDO:A:1506,invalid,,,,,C(CO)O,
,,,EDO:A:1504,invalid,,,,,C(CO)O,
,,,EDO:A:1499,invalid,,,,,C(CO)O,
,,,EDO:A:1498,invalid,,,,,C(CO)O,
,,,EDO:A:1500,invalid,,,,,C(CO)O,
,,,EDO:A:1502,invalid,,,,,C(CO)O,
,,,EDO:A:1497,invalid,,,,,C(CO)O,
,,,EDO:A:1496,invalid,,,,,C(CO)O,
,,,NGO:A:1495,valid,,,,,CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O,
,,1M03,,,,,,,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:507,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1NOW,,,,,,,
,,,GOL:A:558,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:559,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:559,invalid,,,,,C(C(CO)O)O,
,,,IFG:A:557,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O,
,,,IFG:B:558,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](CN1)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:B:557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O7A,,,,,,,
,,,EDO:A:800,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:800,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:C:800,invalid,,,,,C(CO)O,
,,,EDO:C:801,invalid,,,,,C(CO)O,
,,,EDO:C:802,invalid,,,,,C(CO)O,
,,,EDO:E:800,invalid,,,,,C(CO)O,
,,,EDO:E:801,invalid,,,,,C(CO)O,
,,,EDO:E:802,invalid,,,,,C(CO)O,
,,,EDO:F:800,invalid,,,,,C(CO)O,
,,,EDO:F:801,invalid,,,,,C(CO)O,
,,,EDO:F:802,invalid,,,,,C(CO)O,
,,,GDL:A:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:B:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:C:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:D:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:E:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:F:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,NAG:A:702,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:702,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:703,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:702,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:702,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:703,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1C7S,,,,,,,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1QBB,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1C7T,,,,,,,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3SUT,,,,,,,
,,,OAN:A:2000,valid,Ki,=,0.014,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUV,,,,,,,
,,,NOK:A:2000,valid,,,,,CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUU,,,,,,,
,,,OGN:A:2000,valid,Ki,=,0.003,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GH7,,,,,,,
,,,NGA:A:1300,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUR,,,,,,,
,,,NGT:A:2000,valid,Ki,=,70,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUS,,,,,,,
,,,GNL:A:2000,valid,Ki,=,71,uM,CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUW,,,,,,,
,,,GC2:A:2000,valid,Ki,=,20,uM,CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]2[C@H]([C@@H]1O)O)O,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GH5,,,,,,,
,,,NAG:A:1300,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6Q63,,,,,,,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:C:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CU:C:901,Part of Protein,,,,,[Cu+2],
,,,CU:A:901,Part of Protein,,,,,[Cu+2],
,,,CU:B:901,Part of Protein,,,,,[Cu+2],
,,,NAG:C:903,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:903,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2OXN,,,,,,,
,,,OAN:A:501,valid,Ki,=,0.036,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,3GSM,,,,,,,
,,,GOL:A:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:344,invalid,,,,,C(C(CO)O)O,
,,,VPU:A:341,valid,,,,,CCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,3GS6,,,,,,,
,,,GOL:A:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:343,invalid,,,,,C(C(CO)O)O,
,,,NP6:A:341,valid,,,,,CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,1Y65,,,,,,,
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5A69,,,,,,,
,,,OGN:A:1627,valid,Ki,=,1.1,nM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,5AC4,,,,,,,
,,,NGA:B:1627,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1627,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,5A6K,,,,,,,
,,,NSG:A:1627,valid,Ki,=,1130,nM,C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NSG:B:1627,valid,Ki,=,1130,nM,C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O,
,,5AC5,,,,,,,
,,,EDO:A:1629,invalid,,,,,C(CO)O,
,,,GOL:B:1628,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1628,invalid,,,,,C(C(CO)O)O,
,,,NAG:B:1627,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1627,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4AZ6,,,,,,,
,,,EDO:A:1616,invalid,,,,,C(CO)O,
,,,EDO:A:1617,invalid,,,,,C(CO)O,
,,,EDO:A:1615,invalid,,,,,C(CO)O,
,,,OAN:A:1614,valid,Ki,=,0.8,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,P15:A:1618,invalid,,,,,COCCOCCOCCOCCOCCOCCO,
,,4AZ7,,,,,,,
,,,LOG:A:1614,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,LOG:A:1615,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,EDO:A:1620,invalid,,,,,C(CO)O,
,,,EDO:A:1618,invalid,,,,,C(CO)O,
,,,EDO:A:1623,invalid,,,,,C(CO)O,
,,,EDO:A:1621,invalid,,,,,C(CO)O,
,,,EDO:A:1619,invalid,,,,,C(CO)O,
,,,MG:A:1617,Part of Protein,,,,,[Mg+2],
,,,MG:A:1622,invalid,,,,,[Mg+2],
,,,P15:A:1616,invalid,,,,,COCCOCCOCCOCCOCCOCCO,
,,4AZB,,,,,,,
,,,SO4:A:1614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1610,invalid,,,,,C(CO)O,
,,,EDO:A:1608,invalid,,,,,C(CO)O,
,,,EDO:A:1607,invalid,,,,,C(CO)O,
,,,EDO:A:1611,invalid,,,,,C(CO)O,
,,,EDO:A:1609,invalid,,,,,C(CO)O,
,,,OAN:A:1606,valid,Kd,=,57.69,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,4AZ5,,,,,,,
,,,PE4:A:1618,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,MG:A:1616,Part of Protein,,,,,[Mg+2],
,,,MG:A:1623,invalid,,,,,[Mg+2],
,,,MG:A:1617,Part of Protein,,,,,[Mg+2],
,,,MG:A:1622,invalid,,,,,[Mg+2],
,,,EDO:A:1620,invalid,,,,,C(CO)O,
,,,EDO:A:1621,invalid,,,,,C(CO)O,
,,,EDO:A:1619,invalid,,,,,C(CO)O,
,,,NGW:A:1615,valid,Kd,=,1.02,uM,C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,2YL8,,,,,,,
,,,15P:A:1624,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:1625,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,EDO:A:1628,invalid,,,,,C(CO)O,
,,,MN:A:1615,Part of Protein,,,,,[Mn+2],
,,,MN:A:1616,Part of Protein,,,,,[Mn+2],
,,,MN:A:1617,Part of Protein,,,,,[Mn+2],
,,,MN:A:1618,Part of Protein,,,,,[Mn+2],
,,,MN:A:1619,Part of Protein,,,,,[Mn+2],
,,,MN:A:1620,Part of Protein,,,,,[Mn+2],
,,,MN:A:1621,Part of Protein,,,,,[Mn+2],
,,,MN:A:1622,Part of Protein,,,,,[Mn+2],
,,,MN:A:1623,Part of Protein,,,,,[Mn+2],
,,,MAN NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,3S6T,,,,,,,
,,,OAN:A:1,valid,Ki,=,0.045,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,5Y0V,,,,,,,
,,,BER:A:701,valid,Ki,=,12,uM,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OZP,,,,,,,
,,,OAN:A:1,valid,Ki,=,0.24,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,3WMC,,,,,,,
,,,NF6:A:601,valid,Ki,=,0.31,uM,Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4N(C)C)C2=O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5Y1B,,,,,,,
,,,8KL:A:703,valid,Ki,=,8.5,uM,COc1ccc2cc-3[n+](cc2c1OCCC[n+]4cccc5c4cccc5)CCc6c3cc7c(c6)OCO7,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3NSN,,,,,,,
,,,NAG NAG NAG TMX:B:1,valid,,,,,O=C(NC1C(O)C(OC2C([N+](C)(C)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,3VTR,,,,,,,
,,,NAG:A:602,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG TMX:B:1,valid,Ki,=,2.714,uM,O=C(NC1C(O)C(OC2C([N+](C)(C)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,2CHN,,,,,,,
,,,CA:A:1717,Part of Protein,,,,,[Ca+2],
,,,CA:B:1716,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1719,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1718,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1720,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1720,invalid,,,,,C(C(CO)O)O,
,,,NGT:A:1718,valid,Ki,=,0.2,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGT:B:1717,valid,Ki,=,0.2,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,UNK UNK UNK UNK UNK UNK UNK:C:900,invalid,,,,,,
,,,UNK UNK UNK UNK UNK UNK UNK:D:900,invalid,,,,,,
,Family. Representative Entry is ,4GVF,,,,,,,
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,4GVI,,,,,,,
,,,AH0 NAG:B:401,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OCC)C(NC(=O)C)C2OC1CO2)C,
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG AH0:A:401,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C2OC(C1NC(=O)C)OC2)C,
,,4HZM,,,,,,,
,,,1BW:B:401,valid,Ki,=,23.2,uM,CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO,
,,,1BW:A:400,valid,Ki,=,23.2,uM,CCCC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO,
,,,MES:B:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,5G3R,,,,,,,
,,,89A:B:1336,valid,,,,,C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,89A:A:1334,valid,,,,,C[C@H](C(=O)NC(C)C(=O)N)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,NAG:B:1335,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1333,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:B:1333,invalid,,,,,C(COCCO)O,
,,,PEG:B:1334,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6K5J,,,,,,,
,,,NAG:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6K35,,,,,,,
,,,NGT:A:701,valid,ic50,=,11.9,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGT:B:701,valid,ic50,=,11.9,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,Family. Representative Entry is ,1NP0,,,,,,,
,,,GOL:A:558,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:559,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:559,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGT:A:557,valid,,,,,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGT:B:558,valid,,,,,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,SO4:B:557,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4AZI,,,,,,,
,,,EDO:B:2042,invalid,,,,,C(CO)O,
,,,EDO:B:2043,invalid,,,,,C(CO)O,
,,,EDO:A:2041,invalid,,,,,C(CO)O,
,,,EDO:B:2041,invalid,,,,,C(CO)O,
,,,EDO:A:2039,invalid,,,,,C(CO)O,
,,,EDO:A:2040,invalid,,,,,C(CO)O,
,,,BR:A:2043,invalid,,,,,[Br-],
,,,BR:A:2044,invalid,,,,,[Br-],
,,,BR:A:2042,invalid,,,,,[Br-],
,,,BR:B:2044,invalid,,,,,[Br-],
,,,OAN:B:2040,valid,Kd,=,35.56,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:A:2038,valid,Kd,=,35.56,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,BCN:B:2046,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:2045,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:2045,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,4AZH,,,,,,,
,,,EDO:C:2045,invalid,,,,,C(CO)O,
,,,EDO:B:2043,invalid,,,,,C(CO)O,
,,,EDO:A:2045,invalid,,,,,C(CO)O,
,,,EDO:C:2044,invalid,,,,,C(CO)O,
,,,EDO:A:2048,invalid,,,,,C(CO)O,
,,,EDO:C:2046,invalid,,,,,C(CO)O,
,,,EDO:B:2044,invalid,,,,,C(CO)O,
,,,EDO:C:2043,invalid,,,,,C(CO)O,
,,,EDO:C:2042,invalid,,,,,C(CO)O,
,,,EDO:A:2046,invalid,,,,,C(CO)O,
,,,EDO:C:2047,invalid,,,,,C(CO)O,
,,,EDO:A:2047,invalid,,,,,C(CO)O,
,,,LOG:A:2044,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,LOG:D:2040,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,LOG:C:2041,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,,LOG:B:2042,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NO)CO)O)O,
,,4AZG,,,,,,,
,,,EDO:B:2045,invalid,,,,,C(CO)O,
,,,EDO:A:2045,invalid,,,,,C(CO)O,
,,,EDO:B:2046,invalid,,,,,C(CO)O,
,,,EDO:A:2044,invalid,,,,,C(CO)O,
,,,EDO:A:2048,invalid,,,,,C(CO)O,
,,,EDO:B:2047,invalid,,,,,C(CO)O,
,,,EDO:B:2048,invalid,,,,,C(CO)O,
,,,EDO:A:2046,invalid,,,,,C(CO)O,
,,,EDO:A:2047,invalid,,,,,C(CO)O,
,,,OAN:B:2041,valid,Kd,=,79.05,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:A:2040,valid,Kd,=,79.05,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,ACT:A:2042,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2044,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2042,invalid,,,,,CC(=O)[O-],
,,,ACT:A:2043,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2043,invalid,,,,,CC(=O)[O-],
,,,ACT:A:2041,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3NVD,,,,,,,
,,,ACT:A:644,invalid,,,,,CC(=O)[O-],
,,,ACT:A:645,invalid,,,,,CC(=O)[O-],
,,,ACT:B:644,invalid,,,,,CC(=O)[O-],
,,,ACT:B:645,invalid,,,,,CC(=O)[O-],
,,,NA:A:643,Part of Protein,,,,,[Na+],
,,,NA:B:643,Part of Protein,,,,,[Na+],
,,,OAN:A:646,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:B:646,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,PG4:A:647,invalid,,,,,C(COCCOCCOCCO)O,
,,4GYK,,,,,,,
,,,MUB NAG:D:1,valid,,,,,,
,,,MUB NAG:C:1,valid,,,,,,
,,4GYJ,,,,,,,
,,,MUB NAG:C:1,valid,,,,,,
,,,MUB NAG:D:1,valid,,,,,,
,Family. Representative Entry is ,6JEB,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ACM:A:502,valid,,,,,CC(=O)N,
,,6JEA,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
1.1.1.236,,,,,,,,,
,Family. Representative Entry is ,2AE2,,,,,,,
,,,NAP:A:261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PTO:A:262,valid,,,,,CN1[C@H]2CC[C@@H]1CC(C2)O,
,,,PTO:B:262,valid,,,,,CN1[C@H]2CC[C@@H]1CC(C2)O,
,,1IPE,,,,,,,
,,,NDP:A:261,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:262,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1IPF,,,,,,,
,,,NDP:A:261,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1261,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TNE:A:262,valid,,,,,CN1[C@H]2CC[C@@H]1CC(=O)C2,
,,,TNE:B:1262,valid,,,,,CN1[C@H]2CC[C@@H]1CC(=O)C2,
,Family. Representative Entry is ,1AE1,,,,,,,
,,,NAP:A:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1XHL,,,,,,,
,,,NDP:A:1278,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2278,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TNE:A:1279,valid,,,,,CN1[C@H]2CC[C@@H]1CC(=O)C2,
,,,TNE:B:2279,valid,,,,,CN1[C@H]2CC[C@@H]1CC(=O)C2,
3.4.21.34,,,,,,,,,
,Family. Representative Entry is ,6T7P,,,,,,,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:311,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:309,invalid,,,,,CS(=O)C,
,,,DMS:A:310,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,GSH:A:301,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,MU8:A:314,valid,Ki,=,0.97,uM,c1ccc(cc1)[C@H]2C[C@H](N(C2)C(=O)c3ccc4c(c3)OC[C@H]4N)C(=O)Nc5cccc(c5)Cl,
,,2ANW,,,,,,,
,,,BAM:A:249,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,2ANY,,,,,,,
,,,BAM:A:1,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5TJX,,,,,,,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GBT:A:701,valid,,,,,Cc1c2c(cc(n1)N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC2)Cn5cccn5,
,,6O1S,,,,,,,
,,,7SD:E:803,valid,,,,,Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N,
,,,EDO:E:802,invalid,,,,,C(CO)O,
,,,PO4:E:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6O1G,,,,,,,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7SD:A:703,valid,ic50,=,0.001,uM,Cc1cc(nc(c1CNC(=O)c2cnn(c2)Cc3ccc(cc3)Cn4cccn4)C)N,
,,6I44,,,,,,,
,,,FMT:A:716,invalid,,,,,C(=O)O,
,,,FMT:A:714,invalid,,,,,C(=O)O,
,,,FMT:A:715,invalid,,,,,C(=O)O,
,,,FMT:A:719,invalid,,,,,C(=O)O,
,,,FMT:A:720,invalid,,,,,C(=O)O,
,,,FMT:A:717,invalid,,,,,C(=O)O,
,,,FMT:A:713,invalid,,,,,C(=O)O,
,,,FMT:A:718,invalid,,,,,C(=O)O,
,,,ACT:A:724,invalid,,,,,CC(=O)[O-],
,,,ACT:A:721,invalid,,,,,CC(=O)[O-],
,,,ACT:A:722,invalid,,,,,CC(=O)[O-],
,,,ACT:A:723,invalid,,,,,CC(=O)[O-],
,,,ACT:A:726,invalid,,,,,CC(=O)[O-],
,,,ACT:A:725,invalid,,,,,CC(=O)[O-],
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BAM:A:701,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PE4:A:703,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,GLY:A:729,valid,,,,,C(C(=O)O)N,
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,SER:A:730,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
3.2.1.125,,,,,,,,,
,Family. Representative Entry is ,4EK7,,,,,,,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,BGC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3U57,,,,,,,
,,,CL:A:514,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,DH8:A:1000,valid,,,,,C/C=C/1[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4,
,,,DH8:B:1000,valid,,,,,C/C=C/1[C@@H]2C[C@H]3[C@@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5OC(=O)C)[N@]3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)c7ccccc7N4,
,,3U5Y,,,,,,,
,,,CL:B:514,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,SCG:A:1001,valid,,,,,COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,SCG:B:1001,valid,,,,,COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
2.1.1.77,,,,,,,,,
,Family. Representative Entry is ,1DL5,,,,,,,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:621,invalid,,,,,[Cd+2],
,,,CD:A:641,invalid,,,,,[Cd+2],
,,,CD:A:650,invalid,,,,,[Cd+2],
,,,CD:A:651,invalid,,,,,[Cd+2],
,,,CD:B:701,invalid,,,,,[Cd+2],
,,,CD:B:721,invalid,,,,,[Cd+2],
,,,CD:B:741,invalid,,,,,[Cd+2],
,,,CD:B:761,invalid,,,,,[Cd+2],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:622,invalid,,,,,[Cl-],
,,,CL:A:623,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:B:722,invalid,,,,,[Cl-],
,,,CL:B:723,invalid,,,,,[Cl-],
,,,CL:B:742,invalid,,,,,[Cl-],
,,,CL:B:743,invalid,,,,,[Cl-],
,,,SAH:A:699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1I1N,,,,,,,
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1KR5,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1R18,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1JG3,,,,,,,
,,,ADN:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,VAL TYR PRO IAS HIS ALA:C:1,valid,,,,,,
,,,VAL TYR PRO IAS HIS ALA:D:1,valid,,,,,,
,,1JG1,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1JG4,,,,,,,
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1JG2,,,,,,,
,,,ADN:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NA:A:236,invalid,,,,,[Na+],
1.1.2.8,,,,,,,,,
,Family. Representative Entry is ,4CVC,,,,,,,
,,,ZN:A:1614,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1612,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1615,invalid,,,,,[Zn+2],
,,,ZN:A:1611,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1610,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1609,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1613,Part of Protein,,,,,[Zn+2],
,,,PQQ:A:1608,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,CL:A:1616,invalid,,,,,[Cl-],
,,,PPI:A:1617,invalid,,,,,CCC(=O)O,
,,,PEG:A:1607,invalid,,,,,C(COCCO)O,
,,4CVB,,,,,,,
,,,PPI:A:1614,invalid,,,,,CCC(=O)O,
,,,ZN:A:1612,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1611,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1610,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1609,Part of Protein,,,,,[Zn+2],
,,,PQQ:A:1608,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,CA:A:1607,Part of Protein,,,,,[Ca+2],
,,,CL:A:1613,invalid,,,,,[Cl-],
4.1.1.22,,,,,,,,,
,Family. Representative Entry is ,4E1O,,,,,,,
,,,PLP PVH:A:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PVH:B:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PVH:C:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PVH:D:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PVH:E:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PVH:F:1000,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)OC)Cc2nc[nH]c2)c(O)c(C)nc1)([O-])[O-],
2.7.2.8,,,,,,,,,
,Family. Representative Entry is ,1GS5,,,,,,,
,,,ANP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1261,invalid,,,,,[Mg+2],
,,,NLG:A:1259,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,2X2W,,,,,,,
,,,SO4:A:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X2W:A:1259,valid,,,,,CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O,
,,,X2W:B:1259,valid,,,,,CC(=O)N[C@@H](CCC(=O)OP(=O)(O)O)C(=O)O,
,,1OHB,,,,,,,
,,,ACT:A:1261,invalid,,,,,CC(=O)[O-],
,,,ADP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OH9,,,,,,,
,,,ADP ALF:A:1259,valid,,,,,,
,,,MG:A:1262,invalid,,,,,[Mg+2],
,,,NLG:A:1260,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1OHA,,,,,,,
,,,ACT:A:1261,invalid,,,,,CC(=O)[O-],
,,,ADP:A:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1262,invalid,,,,,[Mg+2],
,,,NLG:A:1260,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,2WXB,,,,,,,
,,,ACT:A:1260,invalid,,,,,CC(=O)[O-],
,,,DTU:A:1259,valid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:B:1259,valid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,EDO:B:1260,invalid,,,,,C(CO)O,
,,1GSJ,,,,,,,
,,,ANP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1261,invalid,,,,,[Mg+2],
,,,NLG:A:1259,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,3ZZH,,,,,,,
,,,ARG:C:1362,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CL:A:1359,invalid,,,,,[Cl-],
,,,CL:B:1367,invalid,,,,,[Cl-],
,,,CL:C:1360,invalid,,,,,[Cl-],
,,,CL:D:1367,invalid,,,,,[Cl-],
,,,CL:D:1368,invalid,,,,,[Cl-],
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1356,invalid,,,,,C(CO)O,
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1351,invalid,,,,,C(CO)O,
,,,EDO:B:1352,invalid,,,,,C(CO)O,
,,,EDO:B:1353,invalid,,,,,C(CO)O,
,,,EDO:B:1354,invalid,,,,,C(CO)O,
,,,EDO:B:1355,invalid,,,,,C(CO)O,
,,,EDO:B:1356,invalid,,,,,C(CO)O,
,,,EDO:B:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1361,invalid,,,,,C(CO)O,
,,,EDO:B:1362,invalid,,,,,C(CO)O,
,,,EDO:B:1363,invalid,,,,,C(CO)O,
,,,EDO:B:1364,invalid,,,,,C(CO)O,
,,,EDO:B:1365,invalid,,,,,C(CO)O,
,,,EDO:B:1366,invalid,,,,,C(CO)O,
,,,EDO:C:1351,invalid,,,,,C(CO)O,
,,,EDO:C:1352,invalid,,,,,C(CO)O,
,,,EDO:C:1353,invalid,,,,,C(CO)O,
,,,EDO:C:1354,invalid,,,,,C(CO)O,
,,,EDO:C:1355,invalid,,,,,C(CO)O,
,,,EDO:C:1356,invalid,,,,,C(CO)O,
,,,EDO:C:1357,invalid,,,,,C(CO)O,
,,,EDO:C:1358,invalid,,,,,C(CO)O,
,,,EDO:D:1352,invalid,,,,,C(CO)O,
,,,EDO:D:1353,invalid,,,,,C(CO)O,
,,,EDO:D:1354,invalid,,,,,C(CO)O,
,,,EDO:D:1355,invalid,,,,,C(CO)O,
,,,EDO:D:1356,invalid,,,,,C(CO)O,
,,,EDO:D:1357,invalid,,,,,C(CO)O,
,,,EDO:D:1358,invalid,,,,,C(CO)O,
,,,EDO:D:1359,invalid,,,,,C(CO)O,
,,,EDO:D:1360,invalid,,,,,C(CO)O,
,,,EDO:D:1361,invalid,,,,,C(CO)O,
,,,EDO:D:1362,invalid,,,,,C(CO)O,
,,,EDO:D:1363,invalid,,,,,C(CO)O,
,,,EDO:D:1364,invalid,,,,,C(CO)O,
,,,EDO:D:1365,invalid,,,,,C(CO)O,
,,,EDO:D:1366,invalid,,,,,C(CO)O,
,,,GOL:C:1359,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1360,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1368,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1369,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NLG:A:1361,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:B:1369,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:C:1361,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:D:1370,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,3ZZF,,,,,,,
,,,CL:A:1361,invalid,,,,,[Cl-],
,,,CL:A:1362,invalid,,,,,[Cl-],
,,,CL:B:1362,invalid,,,,,[Cl-],
,,,CL:B:1363,invalid,,,,,[Cl-],
,,,CL:B:1364,invalid,,,,,[Cl-],
,,,CL:C:1359,invalid,,,,,[Cl-],
,,,CL:D:1358,invalid,,,,,[Cl-],
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1356,invalid,,,,,C(CO)O,
,,,EDO:B:1352,invalid,,,,,C(CO)O,
,,,EDO:B:1353,invalid,,,,,C(CO)O,
,,,EDO:B:1354,invalid,,,,,C(CO)O,
,,,EDO:B:1355,invalid,,,,,C(CO)O,
,,,EDO:B:1356,invalid,,,,,C(CO)O,
,,,EDO:B:1357,invalid,,,,,C(CO)O,
,,,EDO:C:1353,invalid,,,,,C(CO)O,
,,,EDO:C:1354,invalid,,,,,C(CO)O,
,,,EDO:D:1353,invalid,,,,,C(CO)O,
,,,GOL:A:1357,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1358,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1354,invalid,,,,,C(C(CO)O)O,
,,,NLG:A:1360,valid,Ki,=,400,mM,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:B:1361,valid,Ki,=,400,mM,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:C:1358,valid,Ki,=,400,mM,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:D:1357,valid,Ki,=,400,mM,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
1.1.1.86,,,,,,,,,
,Family. Representative Entry is ,1QMG,,,,,,,
,,,APX:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N,
,,,APX:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N,
,,,APX:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N,
,,,APX:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)[NH2+]CNC2N,
,,,DMV:A:620,valid,,,,,CC[C@](C)([C@H](C(=O)O)O)O,
,,,DMV:B:620,valid,,,,,CC[C@](C)([C@H](C(=O)O)O)O,
,,,DMV:C:620,valid,,,,,CC[C@](C)([C@H](C(=O)O)O)O,
,,,DMV:D:620,valid,,,,,CC[C@](C)([C@H](C(=O)O)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YVE,,,,,,,
,,,CL:I:604,invalid,,,,,[Cl-],
,,,CL:J:604,invalid,,,,,[Cl-],
,,,CL:K:604,invalid,,,,,[Cl-],
,,,HIO:I:603,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:J:603,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:K:603,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:L:603,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,MG:I:601,Part of Protein,,,,,[Mg+2],
,,,MG:I:602,Part of Protein,,,,,[Mg+2],
,,,MG:J:601,Part of Protein,,,,,[Mg+2],
,,,MG:J:602,Part of Protein,,,,,[Mg+2],
,,,MG:K:601,Part of Protein,,,,,[Mg+2],
,,,MG:K:602,Part of Protein,,,,,[Mg+2],
,,,MG:L:601,Part of Protein,,,,,[Mg+2],
,,,MG:L:602,Part of Protein,,,,,[Mg+2],
,,,NDP:I:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:K:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:K:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:L:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4XDY,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,HIO:B:401,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:A:406,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,5W3K,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,NDP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,9TY:B:401,valid,Ki,=,2.73,uM,C1CC1(C(=O)O)C(=O)O,
,,,9TY:A:401,valid,Ki,=,2.73,uM,C1CC1(C(=O)O)C(=O)O,
,,6AQJ,,,,,,,
,,,40E:B:401,valid,,,,,CC(C)NC(=O)C(=O)O,
,,,40E:A:403,valid,,,,,CC(C)NC(=O)C(=O)O,
,,,HIO:A:408,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:B:402,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,NDP:B:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,6VO2,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,R67:A:403,valid,,,,,CS(=O)(=O)CC(=O)C(=O)O,
,,,R67:B:403,valid,,,,,CS(=O)(=O)CC(=O)C(=O)O,
,,,NDP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3ULK,,,,,,,
,,,MG:A:498,Part of Protein,,,,,[Mg+2],
,,,MG:A:499,Part of Protein,,,,,[Mg+2],
,,,MG:B:497,Part of Protein,,,,,[Mg+2],
,,,MG:B:498,Part of Protein,,,,,[Mg+2],
,,,NDP:A:492,valid,Kd,=,19.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:492,valid,Kd,=,19.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:496,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:497,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:496,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5E4R,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,40E:A:504,valid,,,,,CC(C)NC(=O)C(=O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4XDZ,,,,,,,
,,,EPE:A:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,40E:B:404,valid,,,,,CC(C)NC(=O)C(=O)O,
,,,40E:A:404,valid,,,,,CC(C)NC(=O)C(=O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4KQW,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TLA:B:403,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:403,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:401,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4KQX,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:409,Part of Protein,,,,,[Mg+2],
,,,MG:B:407,Part of Protein,,,,,[Mg+2],
,,,HIS:B:403,invalid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,HIO:A:402,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,,,HIO:B:401,valid,,,,,CC(C)N(C(=O)C(=O)O)O,
,Family. Representative Entry is ,4TSK,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,NDP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TLA:A:404,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
4.2.3.7,,,,,,,,,
,Family. Representative Entry is ,6WKD,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,FDF:A:401,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
,,6WKJ,,,,,,,
,,,FDF:A:401,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
,,6WKF,,,,,,,
,,,FDF:A:401,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
4.2.1.126,,,,,,,,,
,Family. Representative Entry is ,4LZJ,,,,,,,
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,22H:D:402,valid,Ki,=,0.23,mM,C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,22H:B:401,valid,Ki,=,0.23,mM,C[C@H](C(=O)O)O[C@H]([C@H](CO)NC(=O)C)[C@@H]([C@@H](COP(=O)(O)O)O)O,
1.10.2.2,,,,,,,,,
,Family. Representative Entry is ,2FYU,,,,,,,
,,,FDN:C:400,valid,,,,,C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F,
,,,FES:E:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:381,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:382,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:242,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1L0L,,,,,,,
,,,FES:E:197,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMX:C:611,valid,,,,,C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3)Oc4ccccc4,
,,,HEM:C:609,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:610,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:242,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3CXH,,,,,,,
,,,6PH:E:4013,invalid,,,,,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,
,,,6PH:L:4113,invalid,,,,,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:D:4014,invalid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:O:4114,invalid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,8PE:C:4010,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,
,,,8PE:N:4110,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,
,,,9PE:C:4111,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN,
,,,9PE:N:4011,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN,
,,,CN6:C:4031,invalid,,,,,CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC,
,,,CN6:N:4131,invalid,,,,,CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCC,
,,,FES:E:4004,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:P:4024,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:4001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:4002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:4003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:N:4021,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:N:4022,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:O:4023,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:W:4026,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SMA:C:4005,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:N:4025,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UMQ:A:4021,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:L:4121,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC FRU:X:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3CX5,,,,,,,
,,,6PH:A:4013,invalid,,,,,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,
,,,6PH:L:4113,invalid,,,,,CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:D:4014,invalid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:O:4114,invalid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,8PE:C:4010,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,
,,,8PE:N:4110,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC,
,,,9PE:C:4011,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN,
,,,9PE:N:4111,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)CO[P@@](=O)(O)OCCN,
,,,CN3:D:4031,invalid,,,,,CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC,
,,,CN3:N:4131,invalid,,,,,CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](COC(=O)CC)OC(=O)CCC)O)OC(=O)CCCCCCCC,
,,,CN5:C:4033,invalid,,,,,CCCCCCCCCCCCCCC(=O)OCCCO[P@](=O)(O)OC[C@H](CO[P@](=O)(O)OCCCOC(=O)C)O,
,,,FES:E:4004,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:P:4024,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:4001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:4002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:4003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:N:4021,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:N:4022,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:O:4023,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:W:4026,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SMA:C:4005,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:N:4025,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UMQ:A:4021,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:L:4121,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC FRU:X:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,2QJY,,,,,,,
,,,BGL:B:1041,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGL:E:1042,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGL:G:1043,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGL:K:1044,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGL:N:1045,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGL:P:1046,invalid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:I:2004,invalid,,,,,[Cl-],
,,,CL:R:2005,invalid,,,,,[Cl-],
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:L:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:O:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:R:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:J:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:J:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:K:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:M:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:M:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:N:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:Q:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LOP:A:1021,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,LOP:D:1022,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,LOP:G:1023,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,LOP:J:1024,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,LOP:M:1025,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,LOP:P:1026,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,NA:R:2001,Part of Protein,,,,,[Na+],
,,,SMA:A:1001,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:D:1002,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:G:1003,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:J:1004,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:M:1005,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:P:1006,valid,Kd,~,0.7,nM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SR:A:1017,invalid,,,,,[Sr+2],
,,,SR:B:1011,invalid,,,,,[Sr+2],
,,,SR:E:1012,invalid,,,,,[Sr+2],
,,,SR:G:1018,invalid,,,,,[Sr+2],
,,,SR:H:1013,invalid,,,,,[Sr+2],
,,,SR:K:1014,invalid,,,,,[Sr+2],
,,,SR:M:1019,invalid,,,,,[Sr+2],
,,,SR:N:1015,invalid,,,,,[Sr+2],
,,,SR:Q:1016,invalid,,,,,[Sr+2],
,,,UQ2:A:1101,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,,UQ2:D:1102,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,,UQ2:G:1103,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,,UQ2:J:1104,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,,UQ2:M:1105,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,,UQ2:P:1106,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,2IBZ,,,,,,,
,,,FES:E:4,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SMA:C:505,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UQ6:C:506,valid,,,,,Cc1c(c(c(c(c1O)OC)OC)O)CC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,2A06,,,,,,,
,,,AZI:A:4002,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:2005,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:G:4001,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:P:3005,invalid,,,,,[N-]=[N+]=[N-],
,,,CDL:C:2004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:D:2003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:P:3004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:Q:3003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FES:E:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:R:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:C:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:4009,invalid,,,,,C(C(CO)O)O,
,,,HEC:D:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:Q:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEE:B:4017,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:2007,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:2006,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:P:3007,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:Q:3006,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PO4:A:2010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4011,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:4015,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:2009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:3010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Q:4012,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:4013,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:4014,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:T:4016,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SMA:C:2001,valid,Kd,~,30,pM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:P:3001,valid,Kd,~,30,pM,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UNL:A:4032,invalid,,,,,NULL,
,,,UNL:A:4035,invalid,,,,,NULL,
,,,UNL:A:4038,invalid,,,,,NULL,
,,,UNL:A:4048,invalid,,,,,NULL,
,,,UNL:A:4075,invalid,,,,,NULL,
,,,UNL:A:4076,invalid,,,,,NULL,
,,,UNL:A:4081,invalid,,,,,NULL,
,,,UNL:A:4085,invalid,,,,,NULL,
,,,UNL:A:4087,invalid,,,,,NULL,
,,,UNL:A:4091,invalid,,,,,NULL,
,,,UNL:B:4025,invalid,,,,,NULL,
,,,UNL:B:4026,invalid,,,,,NULL,
,,,UNL:B:4030,invalid,,,,,NULL,
,,,UNL:B:4034,invalid,,,,,NULL,
,,,UNL:B:4039,invalid,,,,,NULL,
,,,UNL:B:4042,invalid,,,,,NULL,
,,,UNL:B:4051,invalid,,,,,NULL,
,,,UNL:B:4052,invalid,,,,,NULL,
,,,UNL:B:4057,invalid,,,,,NULL,
,,,UNL:B:4079,invalid,,,,,NULL,
,,,UNL:B:4080,invalid,,,,,NULL,
,,,UNL:C:4018,invalid,,,,,NULL,
,,,UNL:C:4023,invalid,,,,,NULL,
,,,UNL:C:4045,invalid,,,,,NULL,
,,,UNL:C:4063,invalid,,,,,NULL,
,,,UNL:C:4068,invalid,,,,,NULL,
,,,UNL:C:4086,invalid,,,,,NULL,
,,,UNL:D:4027,invalid,,,,,NULL,
,,,UNL:D:4036,invalid,,,,,NULL,
,,,UNL:D:4054,invalid,,,,,NULL,
,,,UNL:D:4059,invalid,,,,,NULL,
,,,UNL:D:4062,invalid,,,,,NULL,
,,,UNL:D:4067,invalid,,,,,NULL,
,,,UNL:D:4083,invalid,,,,,NULL,
,,,UNL:E:4050,invalid,,,,,NULL,
,,,UNL:E:4061,invalid,,,,,NULL,
,,,UNL:F:4028,invalid,,,,,NULL,
,,,UNL:G:4053,invalid,,,,,NULL,
,,,UNL:G:4064,invalid,,,,,NULL,
,,,UNL:G:4070,invalid,,,,,NULL,
,,,UNL:I:4033,invalid,,,,,NULL,
,,,UNL:I:4072,invalid,,,,,NULL,
,,,UNL:N:4019,invalid,,,,,NULL,
,,,UNL:N:4022,invalid,,,,,NULL,
,,,UNL:N:4029,invalid,,,,,NULL,
,,,UNL:N:4073,invalid,,,,,NULL,
,,,UNL:O:4020,invalid,,,,,NULL,
,,,UNL:O:4031,invalid,,,,,NULL,
,,,UNL:O:4037,invalid,,,,,NULL,
,,,UNL:O:4041,invalid,,,,,NULL,
,,,UNL:O:4043,invalid,,,,,NULL,
,,,UNL:O:4071,invalid,,,,,NULL,
,,,UNL:O:4082,invalid,,,,,NULL,
,,,UNL:O:4084,invalid,,,,,NULL,
,,,UNL:P:4021,invalid,,,,,NULL,
,,,UNL:P:4040,invalid,,,,,NULL,
,,,UNL:P:4046,invalid,,,,,NULL,
,,,UNL:P:4058,invalid,,,,,NULL,
,,,UNL:P:4060,invalid,,,,,NULL,
,,,UNL:P:4074,invalid,,,,,NULL,
,,,UNL:P:4089,invalid,,,,,NULL,
,,,UNL:Q:4044,invalid,,,,,NULL,
,,,UNL:R:4055,invalid,,,,,NULL,
,,,UNL:R:4069,invalid,,,,,NULL,
,,,UNL:S:4047,invalid,,,,,NULL,
,,,UNL:T:4065,invalid,,,,,NULL,
,,,UNL:T:4066,invalid,,,,,NULL,
,,,UNL:U:4049,invalid,,,,,NULL,
,,,UNL:U:4056,invalid,,,,,NULL,
,,,UNL:V:4024,invalid,,,,,NULL,
,,,UNL:V:4078,invalid,,,,,NULL,
,,,UNL:V:4088,invalid,,,,,NULL,
,,,UNL:V:4090,invalid,,,,,NULL,
,,,UNL:W:4077,invalid,,,,,NULL,
,,,UQ:C:2002,invalid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)/CCC=C(C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)CCC=C(C)CCC=C(C)C,
,,,UQ:P:3002,invalid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)/CCC=C(C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)CCC=C(C)CCC=C(C)C,
,,,JZR:A:4004,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:C:2011,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:3012,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:4003,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:P:3011,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:S:2012,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,1PP9,,,,,,,
,,,AZI:A:4005,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:2014,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:D:4004,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:P:3014,invalid,,,,,[N-]=[N+]=[N-],
,,,CDL:G:2003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:2004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:Q:3003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:3004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FES:E:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:R:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:2013,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:3013,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:3009,invalid,,,,,C(C(CO)O)O,
,,,HEC:D:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:Q:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEE:A:4003,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:2007,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:2012,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:2006,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:G:2005,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:N:3012,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:P:3007,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:Q:3006,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:T:3005,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PO4:B:3010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:2010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SMA:C:2001,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:P:3001,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UQ:C:2002,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)/CCC=C(C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)CCC=C(C)CCC=C(C)C,
,,,UQ:P:3002,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)/CCC=C(C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)CCC=C(C)CCC=C(C)C,
,,,JZR:A:4002,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:C:2008,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:3011,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:4001,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:P:3008,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:S:2011,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,1PPJ,,,,,,,
,,,ANY:C:2002,valid,,,,,CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC,
,,,ANY:P:3002,valid,,,,,CCCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)[C@H](C)CC,
,,,AZI:A:4011,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:2005,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:G:4009,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:O:4010,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:P:3005,invalid,,,,,[N-]=[N+]=[N-],
,,,CDL:D:2003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:2004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:P:3003,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:3004,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FES:E:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:R:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:3009,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:4005,invalid,,,,,C(C(CO)O)O,
,,,HEC:D:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:Q:501,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEE:C:2007,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:2006,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:P:3007,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:Q:3006,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PO4:A:2013,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:2012,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:3013,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:3012,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SMA:C:2001,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SMA:P:3001,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,JZR:A:4004,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:C:2010,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:C:4002,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:D:4003,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:3011,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:F:4001,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:P:3010,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:R:4007,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:S:2011,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1EZV,,,,,,,
,,,FES:E:4,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SMA:C:505,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,UQ6:C:506,valid,,,,,Cc1c(c(c(c(c1O)OC)OC)O)CC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,1P84,,,,,,,
,,,3PE:C:710,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,,,3PE:C:711,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,,,3PH:A:713,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,3PH:D:714,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:D:731,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DBT:C:705,valid,,,,,CCCCCCCC1=C(C(=O)c2c(ncs2)C1=O)O,
,,,FES:E:704,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:703,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PC1:D:715,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,UMQ:A:721,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UQ6:C:706,invalid,,,,,Cc1c(c(c(c(c1O)OC)OC)O)CC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(C)C,
3.5.3.-,,,,,,,,,
,Family. Representative Entry is ,5AK8,,,,,,,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1469,invalid,,,,,C(CO)O,
,,,EDO:A:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1473,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1468,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1471,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1484,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1470,invalid,,,,,C(CO)O,
,,,EDO:A:1467,invalid,,,,,C(CO)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1474,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,ALA ARG:A:1001,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCNC(=[NH2+])N,
,,,NA:A:1466,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4PXD,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,1AL:B:502,valid,,,,,C(C(=O)[O-])(NC(=O)N)NC(=O)N,
,,,1AL:A:502,valid,,,,,C(C(=O)[O-])(NC(=O)N)NC(=O)N,
,,1Z2L,,,,,,,
,,,1AL:B:516,valid,,,,,C(C(=O)[O-])(NC(=O)N)NC(=O)N,
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:B:513,Part of Protein,,,,,[Zn+2],
,,,ZN:B:514,Part of Protein,,,,,[Zn+2],
3.5.1.23,,,,,,,,,
,Family. Representative Entry is ,2ZWS,,,,,,,
,,,FMT:A:649,invalid,,,,,C(=O)O,
,,,FMT:A:650,invalid,,,,,C(=O)O,
,,,FMT:A:651,invalid,,,,,C(=O)O,
,,,GOL:A:653,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:654,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:655,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:656,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:657,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:658,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:659,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:660,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:661,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:662,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:663,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:664,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:665,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:666,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:667,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:668,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:669,invalid,,,,,C(C(CO)O)O,
,,,MG:A:648,Part of Protein,,,,,[Mg+2],
,,,PLM:A:652,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,ZN:A:647,Part of Protein,,,,,[Zn+2],
,,2ZXC,,,,,,,
,,,2ED:A:701,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@@H](CO)NC(=O)C)O,
,,,2ED:B:702,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@@H](CO)NC(=O)C)O,
,,,DMS:B:652,invalid,,,,,CS(=O)C,
,,,DMS:B:653,invalid,,,,,CS(=O)C,
,,,FMT:A:648,invalid,,,,,C(=O)O,
,,,FMT:A:649,invalid,,,,,C(=O)O,
,,,FMT:A:650,invalid,,,,,C(=O)O,
,,,FMT:A:651,invalid,,,,,C(=O)O,
,,,FMT:B:648,invalid,,,,,C(=O)O,
,,,FMT:B:649,invalid,,,,,C(=O)O,
,,,FMT:B:650,invalid,,,,,C(=O)O,
,,,FMT:B:651,invalid,,,,,C(=O)O,
,,,MG:A:652,Part of Protein,,,,,[Mg+2],
,,,MG:B:654,Part of Protein,,,,,[Mg+2],
,,,ZN:A:647,Part of Protein,,,,,[Zn+2],
,,,ZN:B:647,Part of Protein,,,,,[Zn+2],
2.1.1.20,,,,,,,,,
,Family. Representative Entry is ,1XVA,,,,,,,
,,,ACT:A:294,invalid,,,,,CC(=O)[O-],
,,,ACT:B:294,invalid,,,,,CC(=O)[O-],
,,,SAM:A:293,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:293,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3THR,,,,,,,
,,,C2F:A:1100,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:1700,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:C:1410,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:D:1200,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,TAM:A:1500,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:C:1600,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:D:1400,invalid,,,,,C(CO)C(CCO)(CCO)N,
2.3.1.4,,,,,,,,,
,Family. Representative Entry is ,3CXQ,,,,,,,
,,,GLP:A:185,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4AG9,,,,,,,
,,,16G:A:1168,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:1167,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,COA:A:1166,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1166,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:1167,invalid,,,,,C(CO)O,
,,,EDO:B:1168,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1I1D,,,,,,,
,,,16G:A:905,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:906,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:D:908,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,COA:A:900,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:901,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,IMD:A:910,invalid,,,,,c1c[nH+]c[nH]1,
,,1I12,,,,,,,
,,,ACO:A:1201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1200,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1202,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1203,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,IMD:A:1002,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1001,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,6TDG,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,N3W:A:202,valid,Kd,=,0.8,uM,c1cc(c(c(c1)N)Cl)c2[nH]cnn2,
,,2VXK,,,,,,,
,,,16G:A:1191,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,COA:A:1193,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PO4:A:1192,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6TDH,,,,,,,
,,,N2Z:A:202,valid,Kd,=,6,uM,c1ccc(c(c1)c2[nH]cnn2)Cl,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2VEZ,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,G6P:A:202,valid,Ki,=,2.6,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6TDF,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,N3Q:A:202,valid,Kd,=,5,uM,c1c(cc(c(c1Cl)c2[nH]cnn2)Cl)N(CCO)CCO,
,,,G6P:A:203,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
4.6.1.1,,,,,,,,,
,Family. Representative Entry is ,1CS4,,,,,,,
,,,101:B:1082,valid,ic50,=,2.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)OP(=O)(O)O)N,
,,,CL:C:398,invalid,,,,,[Cl-],
,,,FOK:A:1002,valid,,,,,CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O,
,,,GSP:C:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MES:A:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1083,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:581,Part of Protein,,,,,[Mg+2],
,,,MG:C:396,Part of Protein,,,,,[Mg+2],
,,,POP:A:1005,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1AZS,,,,,,,
,,,FKP:A:1,valid,,,,,CC1(CC[C@@H]([C@]2([C@H]1[C@@H]([C@@H]([C@@]3([C@@]2(C(=O)C[C@](O3)(C)C=C)O)C)OC(=O)CCCCN4CCN(CC4)C)O)C)O)C,
,,,GSP:C:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,1CUL,,,,,,,
,,,103:B:1082,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O,
,,,3PO:A:1003,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,CL:C:397,invalid,,,,,[Cl-],
,,,CL:C:398,invalid,,,,,[Cl-],
,,,FOK:A:1001,valid,,,,,CC(=O)O[C@H]1[C@H]([C@H]2C(CC[C@@H]([C@@]2([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O)(C)C)O,
,,,GSP:C:395,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MES:A:1004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1083,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,,MG:A:1007,Part of Protein,,,,,[Mg+2],
,,,MG:C:396,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3N0Y,,,,,,,
,,,APC:A:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MN:A:182,Part of Protein,,,,,[Mn+2],
,,,MN:B:182,Part of Protein,,,,,[Mn+2],
,,3N10,,,,,,,
,,,CMP:A:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,MN:A:182,Part of Protein,,,,,[Mn+2],
,,,MN:A:183,Part of Protein,,,,,[Mn+2],
,,,MN:B:183,Part of Protein,,,,,[Mn+2],
,,,SO4:A:185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N0Z,,,,,,,
,,,3AT:A:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3AT:B:181,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MN:A:182,Part of Protein,,,,,[Mn+2],
,,,MN:B:182,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2BW7,,,,,,,
,,,APC:A:2200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:2200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:2200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:2200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:2202,Part of Protein,,,,,[Ca+2],
,,,CA:B:2202,Part of Protein,,,,,[Ca+2],
,,,CA:C:2202,Part of Protein,,,,,[Ca+2],
,,,CA:D:2202,Part of Protein,,,,,[Ca+2],
,,,ECS:A:2203,valid,ic50,~,2,uM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O,
,,,ECS:B:2203,valid,ic50,~,2,uM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O,
,,,MG:A:2201,Part of Protein,,,,,[Mg+2],
,,,MG:B:2201,Part of Protein,,,,,[Mg+2],
,,,MG:C:2201,Part of Protein,,,,,[Mg+2],
,,,MG:D:2201,Part of Protein,,,,,[Mg+2],
,,1WC0,,,,,,,
,,,APC:A:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:2100,Part of Protein,,,,,[Ca+2],
,,,CA:B:2100,Part of Protein,,,,,[Ca+2],
,,1WC5,,,,,,,
,,,APC:A:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:2100,Part of Protein,,,,,[Ca+2],
,,,CA:B:2100,Part of Protein,,,,,[Ca+2],
,,,CA:C:2100,Part of Protein,,,,,[Ca+2],
,,,CA:D:2100,Part of Protein,,,,,[Ca+2],
,,,MG:A:2000,Part of Protein,,,,,[Mg+2],
,,,MG:B:2000,Part of Protein,,,,,[Mg+2],
,,,MG:C:2000,Part of Protein,,,,,[Mg+2],
,,,MG:D:2000,Part of Protein,,,,,[Mg+2],
,,1WC3,,,,,,,
,,,APC:A:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1500,valid,Ki,=,0.3,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,SR:A:1501,invalid,,,,,[Sr+2],
,,,SR:B:1501,invalid,,,,,[Sr+2],
,,1WC1,,,,,,,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,MG:C:1501,Part of Protein,,,,,[Mg+2],
,,,MG:C:1502,Part of Protein,,,,,[Mg+2],
,,,TAT:A:1500,valid,Ki,~,0.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:B:1500,valid,Ki,~,0.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:C:1500,valid,Ki,~,0.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,Family. Representative Entry is ,4YUS,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2EV1,,,,,,,
,,,1PE:A:1104,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1103,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,OLA:A:1002,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1001,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,2EV4,,,,,,,
,,,CL:A:211,invalid,,,,,[Cl-],
,,,OLA:A:1001,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1002,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,2EV2,,,,,,,
,,,OLA:A:1001,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1002,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1ZOT,,,,,,,
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:801,Part of Protein,,,,,[Ca+2],
,,,EMA:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)CCOC[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1YKD,,,,,,,
,,,CMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,4OYA,,,,,,,
,,,1VE:A:501,valid,ic50,=,0.36,uM,c1ccc2c(c1)[nH]c(n2)COc3cccc(c3)C(=O)c4c(non4)N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,4CLP,,,,,,,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,GOL:A:1471,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1472,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1479,invalid,,,,,C(COCCO)O,
,,,CMP:A:1473,valid,Kd,=,54.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:1474,valid,Kd,=,54.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,ACT:A:1470,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1469,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1468,invalid,,,,,CC(=O)[O-],
,,4CLW,,,,,,,
,,,EDO:A:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1470,invalid,,,,,C(CO)O,
,,,EDO:A:1471,invalid,,,,,C(CO)O,
,,,EDO:A:1473,invalid,,,,,C(CO)O,
,,,SO3:A:1468,invalid,,,,,[O-]S(=O)[O-],
,,,CA:A:1474,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1469,invalid,,,,,C(COCCO)O,
,,,APC:A:1467,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,4OZ3,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,1Z8:A:501,valid,ic50,=,28,uM,c1ccc(cc1)c2c[nH]nc2C(F)(F)F,
,,5D0R,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,B1T:A:501,valid,Kd,=,0.43,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,4CLK,,,,,,,
,,,APC:A:1468,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:1469,invalid,,,,,[Cl-],
,,,EDO:A:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1471,invalid,,,,,C(CO)O,
,,,CA:A:1470,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1473,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1474,invalid,,,,,C(C(CO)O)O,
,,5IV3,,,,,,,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,CA:A:508,Part of Protein,,,,,[Ca+2],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,LRI:A:506,valid,,,,,c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3,
,,,APC:A:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,4OYO,,,,,,,
,,,1WC:A:502,valid,,,,,Cc1c(cn[nH]1)c2ccccc2Cl,
,,,1WC:A:503,valid,,,,,Cc1c(cn[nH]1)c2ccccc2Cl,
,,,1WC:A:501,valid,,,,,Cc1c(cn[nH]1)c2ccccc2Cl,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4CLT,,,,,,,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,CL:A:1475,invalid,,,,,[Cl-],
,,,MG:A:1471,Part of Protein,,,,,[Mg+2],
,,,CMP:A:1472,valid,Ki,=,54.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:1473,valid,Ki,=,54.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,POP:A:1474,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4OYP,,,,,,,
,,,BZ2:A:502,valid,,,,,c1ccc2c(c1)cc(o2)C(=O)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,4OYM,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,1ZC:A:501,valid,ic50,=,11,uM,COc1cccc(c1)C(=O)c2c(non2)N,
,,4USU,,,,,,,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1474,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,APC:A:1470,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:1472,invalid,,,,,[Cl-],
,,,CL:A:1473,invalid,,,,,[Cl-],
,,,CA:A:1471,Part of Protein,,,,,[Ca+2],
,,4CLZ,,,,,,,
,,,PEG:A:1477,invalid,,,,,C(COCCO)O,
,,,PEG:A:1476,invalid,,,,,C(COCCO)O,
,,,PEG:A:1478,invalid,,,,,C(COCCO)O,
,,,4DS:A:1481,valid,,,,,c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S,
,,,4DS:A:1479,valid,,,,,c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S,
,,,4DS:A:1480,valid,,,,,c1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S,
,,,EDO:A:1473,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1474,invalid,,,,,C(CO)O,
,,,ACT:A:1471,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1472,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1470,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1469,invalid,,,,,CC(=O)[O-],
,,,DMS:A:1482,invalid,,,,,CS(=O)C,
,,,DMS:A:1483,invalid,,,,,CS(=O)C,
,,5IV4,,,,,,,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,PEG:A:514,invalid,,,,,C(COCCO)O,
,,,LRI:A:501,valid,,,,,c1cc(sc1)CN(c2cc(nc(n2)N)Cl)C3CC3,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,CL:A:513,invalid,,,,,[Cl-],
,,4OYI,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,1VK:A:501,valid,ic50,=,19,uM,c1ccc(cc1)C(=O)c2c(non2)N,
,,4USW,,,,,,,
,,,NA:A:1468,Part of Protein,,,,,[Na+],
,,,GOL:A:1472,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:1471,valid,Kd,=,2.03,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:1470,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1469,invalid,,,,,CC(=O)[O-],
,,4OZ2,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,1Z6:A:501,valid,,,,,Cc1c(c[nH]n1)c2ccc(cc2)F,
,,4OYB,,,,,,,
,,,1VJ:A:502,valid,ic50,=,1.6,uM,CCOC(=O)COc1cccc(c1)C(=O)c2c(non2)N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,4OYX,,,,,,,
,,,APC:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1YBU,,,,,,,
,,,APC:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
2.4.1.1,,,,,,,,,
,Family. Representative Entry is ,2AMV,,,,,,,
,,,BIN:A:930,valid,Ki,=,1.6,nM,CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C,
,,,GOL:A:998,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MRT,,,,,,,
,,,12E:A:920,valid,ic50,=,200,uM,c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,12E:A:998,valid,ic50,=,200,uM,c1cnccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1AXR,,,,,,,
,,,HTP:A:998,valid,Ki,=,540,uM,c1c2[n+]([nH]n1)[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FTY,,,,,,,
,,,GL7:A:998,valid,,,,,CN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MQF,,,,,,,
,,,20X:A:920,valid,ic50,=,5.7,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F,
,,,20X:A:998,valid,ic50,=,5.7,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F,
,,3MS7,,,,,,,
,,,22S:A:920,valid,ic50,=,370,uM,c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl,
,,,22S:A:998,valid,ic50,=,370,uM,c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl,
,,4EKY,,,,,,,
,,,D1J:A:901,valid,Ki,=,303,uM,CCCC#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1C50,,,,,,,
,,,CHI:A:920,valid,ic50,=,334,nM,c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6F3R,,,,,,,
,,,PLP:A:901,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CKZ:A:902,valid,Ki,=,1.19,uM,c1ccc-2c(c1)Cc3c2ccc(c3)c4[nH]c(nn4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,
,,5MCB,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CGG:A:902,valid,Ki,=,2.5,mM,c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@@H]([C@@H]2O)O)(C(=O)O)O)O)O,
,,3L7D,,,,,,,
,,,DK5:A:843,valid,Ki,=,6.55,mM,c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@H]([C@@H]([C@H](O3)CO)O)F,
,,1WUY,,,,,,,
,,,BN3:A:930,valid,ic50,=,1.6,uM,c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2ccc(cc2Cl)Cl,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2PRI,,,,,,,
,,,D6G:A:930,valid,Ki,=,1.23,mM,C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6Y5O,,,,,,,
,,,O9Z:A:901,valid,Ki,=,3.89,uM,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)F,
,,1NOK,,,,,,,
,,,NTZ:A:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1WV0,,,,,,,
,,,BN4:A:930,valid,ic50,=,2.9,uM,Cc1c(c(ccc1NC(=O)NC(=O)c2ccc(cc2Cl)Cl)OCCCC(=O)O)C,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5OWY,,,,,,,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B0W:A:902,valid,,,,,c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O,
,,1E1Y,,,,,,,
,,,CPB:A:940,valid,ic50,=,2.5,uM,C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO3:A:997,invalid,,,,,[O-][P-](=O)[O-],
,,1B4D,,,,,,,
,,,CRA:A:998,valid,Ki,=,15.6,uM,COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6R0I,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,JNB:A:901,valid,Ki,=,9.7,uM,c1ccc(cc1)c2ccc(cc2)C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,4MI6,,,,,,,
,,,26V:A:901,valid,Ki,=,48.68,uM,c1cc2c(cc1CCCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CCCC2,
,,2QRM,,,,,,,
,,,M09:A:998,valid,Ki,=,92.5,uM,c1cc(ccc1C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2)[N+](=O)[O-],
,,3G2I,,,,,,,
,,,RUG:A:998,valid,Ki,=,13.7,uM,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,1XL0,,,,,,,
,,,OX2:A:998,valid,Ki,=,145.2,uM,Cc1nnc(o1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5LRE,,,,,,,
,,,KS3:A:902,valid,,,,,c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,KS3:A:901,valid,,,,,c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,PLP:A:903,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1GPY,,,,,,,
,,,G6P:A:998,valid,Kd,~,25,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2GJ4,,,,,,,
,,,2TH:A:949,valid,ic50,=,319,nM,c1ccc2c(c1)C[C@H]([C@@H]2O)NC(=O)c3cc4cc(sc4[nH]3)Cl,
,,,PLR:A:940,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,SO4:A:941,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:942,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:943,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:944,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:945,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:946,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:947,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:948,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GPA,,,,,,,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:996,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1P4G,,,,,,,
,,,CGF:A:998,valid,Ki,=,1.8,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@](O1)(C(N)O)N=[N+]=[N-])O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1Z6Q,,,,,,,
,,,195:A:843,valid,ic50,=,74,nM,c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc2ccc(c(c2)NC(=O)c3cccc(c3)[N+](=O)[O-])Oc4ccc(c(c4)C(=O)O)C(=O)O,
,,3NC4,,,,,,,
,,,26O:A:920,valid,ic50,=,26.6,uM,c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,,26O:A:998,valid,ic50,=,26.6,uM,c1ccc(c(c1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,3MS4,,,,,,,
,,,21N:A:920,valid,ic50,=,524.3,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F,
,,,21N:A:998,valid,ic50,=,524.3,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(F)(F)F,
,,3L79,,,,,,,
,,,DKX:A:843,valid,Ki,=,3.46,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O,
,,2QRH,,,,,,,
,,,M08:A:998,valid,Ki,=,19.6,uM,c1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1WW3,,,,,,,
,,,NTF:A:998,valid,Ki,=,75,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(F)(F)F)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MTD,,,,,,,
,,,25E:A:843,valid,ic50,=,340.5,uM,c1cc(ccc1/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,,25E:A:844,valid,ic50,=,340.5,uM,c1cc(ccc1/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,1FU4,,,,,,,
,,,GL9:A:998,valid,,,,,CC(=O)NN1C(=O)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC1=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1P2B,,,,,,,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2FFR,,,,,,,
,,,DL6:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CN=[N+]=[N-])O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1WUT,,,,,,,
,,,BN2:A:930,valid,ic50,=,1.9,uM,c1ccc(c(c1)C(=O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl)Cl,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2G9U,,,,,,,
,,,G27:A:998,valid,ic50,=,0.84,uM,c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO,
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6F3U,,,,,,,
,,,PLP:A:901,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CNK:A:903,valid,Ki,=,11.5,uM,c1ccc2c(c1)cccc2c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,IMP:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,4CTN,,,,,,,
,,,DMS:A:991,invalid,,,,,CS(=O)C,
,,,M8P:A:998,valid,Ki,=,10,uM,c1ccc2cc(ccc2c1)C(=O)/N=C3/NC(=O)[C@]4(S3)[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,DTT:A:990,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,PLP:A:1680,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2GM9,,,,,,,
,,,3TH:A:1,valid,ic50,=,41,nM,c1ccc2c(c1)C[C@H](C(=O)N2)NC(=O)c3cc4cc(sc4[nH]3)Cl,
,,,PLR:A:900,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,6S52,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,KVN:A:901,valid,Ki,=,162.3,uM,c1ccc(cc1)c2nnn(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1NOI,,,,,,,
,,,NTZ:A:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:B:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:C:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:D:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4MHO,,,,,,,
,,,26M:A:901,valid,Ki,=,8.25,uM,c1ccc(cc1)c2ccc(cc2)OCC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,3MT9,,,,,,,
,,,18O:A:920,valid,ic50,=,25.7,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,18O:A:998,valid,ic50,=,25.7,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,4CTM,,,,,,,
,,,PO4:A:1837,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MIF:A:998,valid,Ki,=,24,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=N)S2)O)O)O)O,
,,,PLP:A:1680,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3SYR,,,,,,,
,,,GPK:A:843,valid,Ki,=,7.9,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)F,
,,6S4O,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,KV5:A:901,valid,Ki,=,4.58,uM,c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,3G2N,,,,,,,
,,,OAK:A:998,valid,,,,,c1ccc(cc1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,3NP7,,,,,,,
,,,Z15:A:997,valid,ic50,=,95,uM,c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,Z15:A:998,valid,ic50,=,95,uM,c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,Z16:A:999,valid,ic50,=,140,uM,c1c(cc(c(c1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)Cl)O,
,,2F3Q,,,,,,,
,,,6GP:A:998,valid,Ki,=,0.22,mM,COC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4YUA,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,REF:A:902,valid,Ki,=,13.4,uM,c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O,
,,2IEI,,,,,,,
,,,FRX:A:904,valid,ic50,=,0.121,uM,c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl,
,,,FRX:B:903,valid,ic50,=,0.121,uM,c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl,
,,,PLR:A:901,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:B:902,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,4EL0,,,,,,,
,,,D1K:A:901,valid,Ki,=,32.4,uM,CCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1WW2,,,,,,,
,,,NBG:A:998,valid,Ki,=,32,uM,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4EL5,,,,,,,
,,,D1M:A:901,valid,Ki,=,4.7,uM,C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,4MI3,,,,,,,
,,,26R:A:901,valid,Ki,=,75.29,uM,C[C@H](Cc1ccc(cc1)C(C)C)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,3L7C,,,,,,,
,,,DK4:A:843,valid,Ki,=,3.67,mM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O)F,
,,6S4R,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,KVH:A:901,valid,Ki,=,26.2,uM,c1ccc2cc(ccc2c1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,1FTQ,,,,,,,
,,,GL2:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)N)O)O)O)O,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3T3E,,,,,,,
,,,GPQ:A:843,valid,Ki,=,1.02,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl,
,,3GPB,,,,,,,
,,,G1P:A:900,valid,Kd,=,9.5,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:A:901,valid,Kd,=,9.5,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2QRG,,,,,,,
,,,M07:A:998,valid,Ki,=,6.6,uM,COc1ccc(cc1)C2=NO[C@]3(C2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,3L7B,,,,,,,
,,,DKZ:A:843,valid,Ki,=,4.01,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O,
,,3AMV,,,,,,,
,,,BIN:A:930,valid,Ki,=,10.8,nM,CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:996,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5OX1,,,,,,,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,PLP:A:903,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B1K:A:901,valid,Ki,=,1.95,uM,COc1ccc(cc1)c2[nH]nc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,2PRJ,,,,,,,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,NBG:A:998,valid,Ki,=,32,uM,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1C8L,,,,,,,
,,,BIN:A:930,valid,ic50,=,6.9,nM,CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2Cl)C(=O)OC(C)C)C,
,,,CFF:A:940,valid,ic50,=,0.45,mM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,GOL:A:998,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1XC7,,,,,,,
,,,GL6:A:998,valid,Ki,=,5.1,mM,COP(=O)(N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC,
,,,PLP:A:999,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:996,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3MSC,,,,,,,
,,,24S:A:843,valid,ic50,=,484.2,uM,c1ccc(c(c1)/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,24S:A:844,valid,ic50,=,484.2,uM,c1ccc(c(c1)/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,1FU7,,,,,,,
,,,CR1:A:998,valid,,,,,COC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4MRA,,,,,,,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,QUE:A:901,valid,ic50,=,33.5,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,5LRC,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,73E:A:902,valid,Ki,=,7,uM,c1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,2G9R,,,,,,,
,,,G27:A:998,valid,ic50,=,0.84,uM,c1ccc(cc1)CCC[N@@]2C[C@@H]([C@H]([C@@H](C2)O)O)CO,
,,1FTW,,,,,,,
,,,GL5:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)N(C(=O)N2)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4MIC,,,,,,,
,,,26Y:A:901,valid,Ki,=,4.98,uM,CC(C)c1ccc(cc1)/C=C/C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1Z62,,,,,,,
,,,IAA:A:990,valid,Ki,=,16,uM,C1C=CC=C2C1=N/C(=C3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O,
,,,IAA:A:991,valid,Ki,=,16,uM,C1C=CC=C2C1=N/C(=C3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O,
,,,IAA:A:992,valid,Ki,=,16,uM,C1C=CC=C2C1=N/C(=C3/C4=CC=CCC4=NC3=O)/C2=N/OCC(=O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2SKD,,,,,,,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5GPB,,,,,,,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GPM:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O,
,,,GPM:A:909,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2G9V,,,,,,,
,,,IFM:A:998,valid,Ki,=,5.2,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3MT7,,,,,,,
,,,16O:A:920,valid,ic50,=,93.2,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br,
,,,16O:A:998,valid,ic50,=,93.2,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br,
,,5OWZ,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B0Z:A:903,valid,Ki,=,111,uM,c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(F)(F)F,
,,,IMP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,2QRQ,,,,,,,
,,,DMS:A:931,invalid,,,,,CS(=O)C,
,,,DMS:A:936,invalid,,,,,CS(=O)C,
,,,DMS:A:937,invalid,,,,,CS(=O)C,
,,,DMS:A:938,invalid,,,,,CS(=O)C,
,,,DMS:A:939,invalid,,,,,CS(=O)C,
,,,DMS:A:940,invalid,,,,,CS(=O)C,
,,,DMS:A:942,invalid,,,,,CS(=O)C,
,,,DMS:A:945,invalid,,,,,CS(=O)C,
,,,DMS:A:946,invalid,,,,,CS(=O)C,
,,,DMS:A:947,invalid,,,,,CS(=O)C,
,,,DMS:A:948,invalid,,,,,CS(=O)C,
,,,DMS:A:953,invalid,,,,,CS(=O)C,
,,,DMS:A:955,invalid,,,,,CS(=O)C,
,,,DMS:A:956,invalid,,,,,CS(=O)C,
,,,DMS:A:958,invalid,,,,,CS(=O)C,
,,,DMS:A:972,invalid,,,,,CS(=O)C,
,,,S13:A:998,valid,Ki,=,7.9,uM,Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)ON2,
,,5LRF,,,,,,,
,,,KS3:A:902,valid,Ki,=,0.41,uM,c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,KS3:A:901,valid,Ki,=,0.41,uM,c1ccc2cc(ccc2c1)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,PLP:A:905,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,1A8I,,,,,,,
,,,GLS:A:998,valid,Ki,=,3,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O,
,,8GPB,,,,,,,
,,,AMP:A:930,valid,Kd,=,250,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:940,valid,Kd,=,250,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6F3J,,,,,,,
,,,CKQ:A:903,valid,Ki,=,4.42,uM,c1cc(ccc1c2ccc(cc2)C(=O)O)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,PLP:A:901,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,IMP:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,3SYM,,,,,,,
,,,GP0:A:843,valid,Ki,=,27.1,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F,
,,1GG8,,,,,,,
,,,GLG:A:998,valid,Ki,=,1,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)C(=O)N)O)O)O)O,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3T3G,,,,,,,
,,,GPU:A:843,valid,Ki,=,3.27,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br,
,,5LRD,,,,,,,
,,,KS2:A:901,valid,Ki,=,1.7,uM,Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,3NP9,,,,,,,
,,,Z2T:A:998,valid,ic50,=,39.8,uM,COc1cc(c(c(c1)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1Z8D,,,,,,,
,,,ADE:A:902,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,AMP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GLC:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6QA6,,,,,,,
,,,HT8:A:1102,valid,Ki,=,2.11,uM,c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3,
,,,HT8:A:1103,valid,Ki,=,2.11,uM,c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3,
,,,DMS:A:1101,invalid,,,,,CS(=O)C,
,,,PLP:A:1104,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3G2L,,,,,,,
,,,LEW:A:998,valid,Ki,=,135.9,uM,c1ccc2c(c1)cccc2c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,4MI9,,,,,,,
,,,26W:A:901,valid,Ki,=,376.87,uM,CCc1ccc(cc1)[C@H](C)CC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,3G2J,,,,,,,
,,,9GP:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CO)O)O)O)O,
,,1P4J,,,,,,,
,,,CBF:A:998,valid,Ki,=,0.88,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C(=O)N)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1GGN,,,,,,,
,,,GLS:A:998,valid,Ki,=,3.1,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=O)N2)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3L7A,,,,,,,
,,,DKY:A:843,valid,Ki,=,46.42,uM,c1ccc(cc1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)F)O,
,,1KTI,,,,,,,
,,,AZC:A:998,valid,Ki,=,370,uM,CC(=O)NC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2GPB,,,,,,,
,,,GLC:A:910,valid,Ki,=,2,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6F3S,,,,,,,
,,,CKW:A:902,valid,Ki,=,2.38,uM,c1ccc(cc1)c2ccc(cc2)c3[nH]c(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,PLP:A:901,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2F3P,,,,,,,
,,,4GP:A:998,valid,Ki,=,0.71,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C(=O)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5OX3,,,,,,,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B1N:A:901,valid,Ki,=,2.9,uM,c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,6S4P,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,KVE:A:901,valid,Ki,=,158,uM,c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,1LWN,,,,,,,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1P29,,,,,,,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1XKX,,,,,,,
,,,IMK:A:910,valid,Ki,=,8.6,uM,Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,IMK:A:920,valid,Ki,=,8.6,uM,Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,IMK:A:998,valid,Ki,=,8.6,uM,Cc1ccc2c(c1)nc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2SKE,,,,,,,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO3:A:997,invalid,,,,,[O-][P-](=O)[O-],
,,1FS4,,,,,,,
,,,CRA:A:998,valid,,,,,COC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1GFZ,,,,,,,
,,,CFF:A:940,valid,Ki,~,0.15,mM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3S0J,,,,,,,
,,,Z15:A:998,valid,ic50,=,169.9,uM,c1c(c(cc(c1O)Cl)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,6S4K,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,KVW:A:901,valid,Ki,=,310,uM,c1ccc(cc1)c2csc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1WV1,,,,,,,
,,,BN5:A:930,valid,ic50,=,2.8,uM,Cc1c(cccc1OCCCCC(=O)O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6S51,,,,,,,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,KVQ:A:901,valid,Ki,=,326,uM,c1ccc(cc1)c2nc(cs2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,6F3L,,,,,,,
,,,CJW:A:902,valid,Ki,=,5.05,uM,c1cc(cc2c1cc(cc2)C(=O)O)c3nc([nH]n3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,PLP:A:901,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6Y5C,,,,,,,
,,,O9T:A:901,valid,Ki,=,21.36,uM,Cc1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O,
,,6R0H,,,,,,,
,,,JN2:A:901,valid,Ki,=,56.1,uM,c1cc(cc(c1)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3ccc(cc3)F,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2F3S,,,,,,,
,,,7GP:A:998,valid,Ki,=,0.92,mM,CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6Y55,,,,,,,
,,,O9Q:A:901,valid,Ki,=,2.23,uM,Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O,
,,3T3D,,,,,,,
,,,CJB:A:843,valid,Ki,=,12.39,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1K08,,,,,,,
,,,BZD:A:920,valid,Ki,=,4.6,uM,c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,BZD:A:998,valid,Ki,=,4.6,uM,c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6QA8,,,,,,,
,,,PLP:A:902,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,HTE:A:901,valid,Ki,=,9,uM,c1ccc(cc1)C2=N[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)N2,
,,5JTT,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,6MY:A:902,valid,Ki,=,0.28,uM,c1ccc(cc1)c2cnc([nH]2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,3G2H,,,,,,,
,,,DMS:A:931,invalid,,,,,CS(=O)C,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,KOT:A:998,valid,Ki,=,151.3,uM,c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1C8K,,,,,,,
,,,CPB:A:940,valid,ic50,=,1,uM,C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MTA,,,,,,,
,,,22O:A:920,valid,ic50,=,50.4,uM,c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,22O:A:998,valid,ic50,=,50.4,uM,c1cc(cc(c1)Br)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,2QN1,,,,,,,
,,,0AS:A:930,valid,,,,,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,
,,5OX0,,,,,,,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B1H:A:901,valid,Ki,=,33.5,uM,c1cc(ccc1c2nc([nH]n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[N+](=O)O,
,,3MRV,,,,,,,
,,,16F:A:920,valid,ic50,=,180,uM,c1cc(cc(c1)O)/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,16F:A:998,valid,ic50,=,180,uM,c1cc(cc(c1)O)/C=NNC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,DMS:A:843,invalid,,,,,CS(=O)C,
,,2PYD,,,,,,,
,,,DMS:A:970,invalid,,,,,CS(=O)C,
,,,DMS:A:971,invalid,,,,,CS(=O)C,
,,,DMS:A:972,invalid,,,,,CS(=O)C,
,,,DMS:A:973,invalid,,,,,CS(=O)C,
,,,DMS:A:974,invalid,,,,,CS(=O)C,
,,,DMS:A:975,invalid,,,,,CS(=O)C,
,,,DMS:A:976,invalid,,,,,CS(=O)C,
,,,DMS:A:977,invalid,,,,,CS(=O)C,
,,,DMS:A:978,invalid,,,,,CS(=O)C,
,,,DMS:A:979,invalid,,,,,CS(=O)C,
,,,DMS:A:980,invalid,,,,,CS(=O)C,
,,,DMS:A:981,invalid,,,,,CS(=O)C,
,,,DMS:A:982,invalid,,,,,CS(=O)C,
,,,DMS:A:983,invalid,,,,,CS(=O)C,
,,,DMS:A:984,invalid,,,,,CS(=O)C,
,,,DMS:A:985,invalid,,,,,CS(=O)C,
,,,DMS:A:986,invalid,,,,,CS(=O)C,
,,,DMS:A:987,invalid,,,,,CS(=O)C,
,,,GLC:A:998,valid,Ki,=,1.7,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1P4H,,,,,,,
,,,CR6:A:998,valid,Ki,=,0.31,mM,CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4GPB,,,,,,,
,,,GFP:A:900,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O,
,,,GFP:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1FU8,,,,,,,
,,,CR6:A:998,valid,,,,,CC(=O)N[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)N,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5MEM,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,7LS:A:902,valid,Ki,=,71,nM,c1ccc2c(c1)C(=O)c3cc(ccc3N2)NC4=NC(=O)N(C=C4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,
,,2SKC,,,,,,,
,,,FPO:A:997,valid,,,,,[O-]P(=O)([O-])F,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IMP:A:930,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MT8,,,,,,,
,,,17T:A:920,valid,ic50,=,28.3,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl,
,,,17T:A:998,valid,ic50,=,28.3,uM,c1cc(ccc1/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Cl,
,,1LWO,,,,,,,
,,,CHI:A:920,valid,,,,,c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1K06,,,,,,,
,,,BZD:A:920,valid,Ki,=,4.6,uM,c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,BZD:A:998,valid,Ki,=,4.6,uM,c1ccc(cc1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4YI3,,,,,,,
,,,4D0:A:902,valid,Ki,=,4.95,uM,c1ccc(cc1)c2ccc(cc2)CCC(=O)NC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,5JTU,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,6NE:A:902,valid,Ki,=,0.031,uM,c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,4MHS,,,,,,,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,26Q:A:901,valid,Ki,=,5.14,uM,c1ccc(cc1)c2ccc(cc2)/C=C/C(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,5OX4,,,,,,,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,B1W:A:901,valid,Ki,=,0.67,uM,c1cc(ccc1c2[nH]c(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,1XL1,,,,,,,
,,,PLP:A:999,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,TH1:A:998,valid,Ki,=,76,uM,Cc1ccc2c(c1)nc(s2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,1H5U,,,,,,,
,,,CHI:A:920,valid,ic50,=,178,nM,c1cc(ccc1C[C@@H](C(=O)N2CCC(CC2)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl)F,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2QRP,,,,,,,
,,,DMS:A:931,invalid,,,,,CS(=O)C,
,,,DMS:A:934,invalid,,,,,CS(=O)C,
,,,DMS:A:936,invalid,,,,,CS(=O)C,
,,,DMS:A:937,invalid,,,,,CS(=O)C,
,,,DMS:A:938,invalid,,,,,CS(=O)C,
,,,DMS:A:939,invalid,,,,,CS(=O)C,
,,,DMS:A:940,invalid,,,,,CS(=O)C,
,,,DMS:A:942,invalid,,,,,CS(=O)C,
,,,DMS:A:945,invalid,,,,,CS(=O)C,
,,,DMS:A:946,invalid,,,,,CS(=O)C,
,,,DMS:A:947,invalid,,,,,CS(=O)C,
,,,DMS:A:948,invalid,,,,,CS(=O)C,
,,,DMS:A:953,invalid,,,,,CS(=O)C,
,,,DMS:A:959,invalid,,,,,CS(=O)C,
,,,DMS:A:972,invalid,,,,,CS(=O)C,
,,,S06:A:998,valid,Ki,=,0.63,uM,c1ccc2cc(ccc2c1)C3C[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)ON3,
,,3NPA,,,,,,,
,,,Z57:A:998,valid,ic50,=,136.4,uM,c1c(c(cc(c1O)Br)O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1P2G,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Ki,=,7.4,mM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4Z5X,,,,,,,
,,,GDE:A:901,valid,Ki,=,1730,uM,c1c(cc(c(c1O)O)O)C(=O)O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4YI5,,,,,,,
,,,PLP:A:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,4D1:A:902,valid,Ki,=,2.53,uM,CC(C)c1ccc(cc1)/C=C/C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,IMP:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,1NOJ,,,,,,,
,,,NTZ:A:998,valid,Ki,=,700,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2F3U,,,,,,,
,,,8GP:A:998,valid,Ki,=,1.41,mM,C1CC1NC(=O)C(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1UZU,,,,,,,
,,,INR:A:1000,valid,Ki,=,13.8,uM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)S(=O)(=O)O)/N2,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4CTO,,,,,,,
,,,M7C:A:998,valid,Ki,=,9,uM,c1ccc(cc1)C(=O)/N=C2/NC(=O)[C@]3(S2)[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,PO4:A:1837,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PLP:A:1680,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3G2K,,,,,,,
,,,SKY:A:998,valid,Ki,=,16.1,uM,c1ccc2cc(ccc2c1)c3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,6QA7,,,,,,,
,,,HTW:A:901,valid,Ki,=,13,uM,c1ccc2c(c1)cccc2C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3,
,,,PLP:A:902,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1Z6P,,,,,,,
,,,194:A:843,valid,ic50,=,0.9,uM,c1ccc(c(c1)NC(=O)c2cccc(c2)[N+](=O)[O-])Oc3ccc(c(c3)C(=O)O)C(=O)O,
,,2PYI,,,,,,,
,,,DL8:A:998,valid,Ki,=,179,uM,c1ccc(cc1)c2cn(nn2)CC(=O)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,DMS:A:931,invalid,,,,,CS(=O)C,
,,,DMS:A:936,invalid,,,,,CS(=O)C,
,,,DMS:A:937,invalid,,,,,CS(=O)C,
,,,DMS:A:938,invalid,,,,,CS(=O)C,
,,,DMS:A:939,invalid,,,,,CS(=O)C,
,,,DMS:A:940,invalid,,,,,CS(=O)C,
,,,DMS:A:942,invalid,,,,,CS(=O)C,
,,,DMS:A:945,invalid,,,,,CS(=O)C,
,,,DMS:A:946,invalid,,,,,CS(=O)C,
,,,DMS:A:972,invalid,,,,,CS(=O)C,
,,3MRX,,,,,,,
,,,17S:A:920,valid,ic50,=,406.5,uM,COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,17S:A:998,valid,ic50,=,406.5,uM,COc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,2IEG,,,,,,,
,,,FRY:A:901,valid,ic50,=,0.135,uM,c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl,
,,,FRY:B:902,valid,ic50,=,0.135,uM,c1ccc2c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl,
,,,PLR:A:903,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:B:904,invalid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,2G9Q,,,,,,,
,,,1AB:A:998,valid,ic50,=,0.84,uM,C1[C@H]([C@@H]([C@H](N1)CO)O)O,
,,,PO4:A:995,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:996,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3MTB,,,,,,,
,,,23V:A:920,valid,ic50,=,23.2,uM,c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,23V:A:998,valid,ic50,=,23.2,uM,c1cc(cc(c1)Cl)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,2OFF,,,,,,,
,,,OFF:A:930,valid,Ki,=,0.46,uM,c1cc(ccc1C=CC(=O)O[C@@H](CC(=O)O)[C@H](C(=O)O)OC(=O)C=Cc2ccc(cc2)O)O,
,,1P2D,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1HLF,,,,,,,
,,,GL4:A:998,valid,Ki,=,2.3,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@]2(O1)C(=O)NC(=S)N2)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3MS2,,,,,,,
,,,18S:A:920,valid,ic50,=,192.4,uM,Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,18S:A:998,valid,ic50,=,192.4,uM,Cc1ccc(cc1)/C=N/NC(=S)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,6S4H,,,,,,,
,,,KUQ:A:901,valid,Ki,=,68.6,uM,c1ccc(cc1)c2[nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,PLP:A:903,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,1QM5,,,,,,,
,,,PLP:A:999,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:999,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GLC GLC GLC SGC PO4 GLC:C:1,valid,Ki,=,1.5,uM,[SH0](OP(=O)([O-])[O-])(=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC SGC PO4 GLC:D:1,valid,Ki,=,1.5,uM,[SH0](OP(=O)([O-])[O-])(=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2AV6,,,,,,,
,,,BGC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BGC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,NO3:A:1999,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:2999,invalid,,,,,[N+](=O)([O-])[O-],
,,,PLP:A:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1L6I,,,,,,,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PLP:A:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:999,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:999,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L5W,,,,,,,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,PLP:A:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:998,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:999,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2AW3,,,,,,,
,,,BGC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BGC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,PLP:A:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:1999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1L5V,,,,,,,
,,,G1P:A:900,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,TRS:A:990,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:991,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2AZD,,,,,,,
,,,BGC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PLP:A:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:900,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,TRS:A:990,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1990,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,VO4:A:999,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,VO4:B:1999,invalid,,,,,[O-][V](=O)([O-])[O-],
,Family. Representative Entry is ,1EM6,,,,,,,
,,,CP4:A:862,valid,ic50,=,6,nM,c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,MPD:B:1902,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1L5R,,,,,,,
,,,700:A:862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,MRD:B:902,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,RBF:A:859,valid,Kd,=,17,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,1L5Q,,,,,,,
,,,700:A:862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,700:B:1862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,CFF:A:863,valid,Kd,=,108,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:A:864,valid,Kd,=,108,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:1863,valid,Kd,=,108,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:1864,valid,Kd,=,108,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1EXV,,,,,,,
,,,700:A:862,valid,ic50,=,45,nM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,700:B:1862,valid,ic50,=,45,nM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,MPD:A:1901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1902,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1L7X,,,,,,,
,,,700:A:862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,700:B:1862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,CFF:A:863,valid,Kd,=,92,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:A:864,valid,Kd,=,92,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:1863,valid,Kd,=,92,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,MRD:B:1902,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:902,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:903,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3DDS,,,,,,,
,,,26B:A:905,valid,ic50,=,506,nM,Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C,
,,,26B:B:905,valid,ic50,=,506,nM,Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C,
,,,26B:B:906,valid,ic50,=,506,nM,Cc1cc(c(c(c1)C)NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)O)C,
,,,CFF:A:904,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:903,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,MES:B:904,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MPD:A:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NBG:A:901,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:901,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:903,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FC0,,,,,,,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3CEM,,,,,,,
,,,AVD:A:833,valid,Kd,=,24,nM,c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O,
,,,AVD:B:833,valid,Kd,=,24,nM,c1ccc(c(c1)C(=O)O)N2C=C(C(=O)c3c2cc(c(c3)Nc4c(cc(cc4Cl)F)F)Cl)C(=O)O,
,,,NBG:A:1,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:2,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:832,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:832,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2ATI,,,,,,,
,,,GLC:A:847,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:847,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IHU:A:848,valid,ic50,=,23,nM,COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O,
,,,IHU:B:848,valid,ic50,=,23,nM,COc1ccc(cc1NC(=O)NC(=O)c2ccc(cc2Cl)F)O,
,,,PLP:A:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1L5S,,,,,,,
,,,700:A:862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,700:B:1862,valid,ic50,=,0.145,uM,c1ccc(cc1)C[C@@H](C(=O)N2CC(C2)C(=O)O)NC(=O)c3cc4cc(ccc4[nH]3)Cl,
,,,MRD:A:1902,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:904,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:905,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:902,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:903,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,URC:A:863,valid,Kd,=,550,uM,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:1863,valid,Kd,=,550,uM,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,1FA9,,,,,,,
,,,AMP:A:997,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GLC:A:998,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PLP:A:999,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1XOI,,,,,,,
,,,288:A:862,valid,ic50,=,0.057,uM,c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O,
,,,288:B:1862,valid,ic50,=,0.057,uM,c1cc2c(cc1Cl)cc([nH]2)C(=O)NCC(N(CCO)C3CCCC3)O,
,,,NBG:A:861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:1861,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:860,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1860,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3DDW,,,,,,,
,,,055:A:905,valid,ic50,=,1067,nM,Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl,
,,,055:B:906,valid,ic50,=,1067,nM,Cc1cccc(c1NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](c4ccccc4)C(=O)O)Cl,
,,,CFF:A:903,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:903,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,MES:B:904,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:905,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MPD:A:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:907,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NBG:A:901,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NBG:B:901,valid,,,,,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLP:A:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:902,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2ZB2,,,,,,,
,,,A46:A:850,valid,ic50,=,0.9,uM,c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl,
,,,A46:B:850,valid,ic50,=,0.9,uM,c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl,
,,,GLC:A:847,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:847,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MES:A:848,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:848,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MPD:B:851,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:852,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PLP:A:849,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:849,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
3.-.-.-,,,,,,,,,
,Family. Representative Entry is ,4IN9,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,SER TRP PHE PRO:B:1,valid,Ki,=,10.7,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C([NH3+])CO,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,2XS4,,,,,,,
,,,ALA PHE THR:B:301,valid,,,,,O=C(NC(C=O)C(O)C)C(NC(=O)C([NH3+])C)Cc1ccccc1,
,,,CL:A:1202,invalid,,,,,[Cl-],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,2XS3,,,,,,,
,,,ALA PHE THR SER:C:201,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1ccccc1)C(O)C,
,,,ALA PHE THR SER:D:201,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1ccccc1)C(O)C,
,,,TRS:B:1305,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3L8H,,,,,,,
,,,FMT:A:2007,invalid,,,,,C(=O)O,
,,,FMT:D:2009,invalid,,,,,C(=O)O,
,,,FX1:C:2006,valid,,,,,C([C@@H]1C(=O)[C@@H]([C@](O1)(CO)O)O)O,
,,,MG:A:180,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:803,Part of Protein,,,,,[Mg+2],
,,,MG:D:804,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:2004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAR:D:2008,invalid,,,,,CNCC(=O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:C:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:904,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4N6W,,,,,,,
,,,FLC:A:203,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FE:A:202,Part of Protein,,,,,[Fe+3],
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,5FOW,,,,,,,
,,,ACE TRP HIS THR ALA NH2 NH2:F:0,valid,Kd,=,93,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)C(O)C)C,
,,,ACE TRP HIS THR ALA NH2 NH2:E:0,valid,Kd,=,93,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)C(O)C)C,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FOV,,,,,,,
,,,ACE PHE HIS THR GLY NH2:E:0,valid,Kd,=,1590,uM,,
,,,ACE PHE HIS THR GLY NH2:F:1,valid,Kd,=,1590,uM,,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4D6P,,,,,,,
,,,ANP:A:1350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1352,Part of Protein,,,,,[Mg+2],
,,,MG:B:1352,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1350,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1351,invalid,,,,,C(C(CO)O)O,
,,5J4K,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,6FZ:A:404,valid,,,,,c1ccc2c(c1)CC(C2)C(=O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5FOU,,,,,,,
,,,PO4:A:1351,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACE PHE HIS PRO ALA NH2:C:0,valid,Kd,=,113,uM,O=C([NH3+])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)Cc2ccccc2)Cc2nc[nH]c2)CCC1)C,
,,4B34,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ABV:A:1351,valid,Kd,=,0.73,mM,c1ccc2c(c1)nc(s2)N,
,,4B32,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,03V:A:1351,valid,Kd,=,0.46,mM,c1ccc2cc(ccc2c1)O,
,,4B3C,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,5H1:A:1351,valid,Kd,=,1.9,mM,c1cc2c(cc[nH]2)cc1O,
,,4B33,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1NP:A:1351,valid,Kd,=,0.43,mM,c1ccc2c(c1)cccc2O,
,,4B2I,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LZ1:A:1351,valid,Kd,=,1,mM,c1ccc2c(c1)cn[nH]2,
,,4B35,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4ME:A:1351,valid,Kd,=,1.3,mM,COC(=O)c1cccc2c1cc[nH]2,
,,4B2L,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TR7:A:1351,valid,Kd,=,0.57,mM,COC(=O)[C@H](Cc1c[nH]c2c1cccc2)N,
,,4UQO,,,,,,,
,,,NA:B:1353,invalid,,,,,[Na+],
,,,NA:B:1352,Part of Protein,,,,,[Na+],
,,,NA:A:1352,invalid,,,,,[Na+],
,,,ADP:A:1350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1351,Part of Protein,,,,,[Mg+2],
,,,MG:B:1351,Part of Protein,,,,,[Mg+2],
,,5FOT,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACE PHE HIS THR ABA NH2:C:0,valid,Kd,=,680,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc1nc[nH]c1)C(O)C)CC,
,,5FOX,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:1351,invalid,,,,,C(C(CO)O)O,
,,,ACE PHE HIS ALA ALA NH2:C:0,valid,Kd,=,675,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc1nc[nH]c1)C)C,
,,4B3D,,,,,,,
,,,5MI:A:1351,valid,Kd,=,2.1,mM,Cc1ccc2c(c1)cc[nH]2,
,,,5MI:C:1352,valid,Kd,=,2.1,mM,Cc1ccc2c(c1)cc[nH]2,
,,,5MI:A:1352,valid,Kd,=,2.1,mM,Cc1ccc2c(c1)cc[nH]2,
,,,5MI:C:1351,valid,Kd,=,2.1,mM,Cc1ccc2c(c1)cc[nH]2,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5J4H,,,,,,,
,,,1F1:A:401,valid,,,,,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,CA:A:404,invalid,,,,,[Ca+2],
,,4B3B,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACE PHE HIS THR ALA NH2:C:0,valid,Kd,=,250,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)Cc1nc[nH]c1)C(O)C)C,
,,5FPK,,,,,,,
,,,PO4:A:1350,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACE PHE ALA THR ALA NH2:C:0,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C)C(O)C)C,
,Family. Representative Entry is ,5NNA,,,,,,,
,,,BZM:B:301,valid,,,,,c1ccc(cc1)COC(=O)c2ccccc2,
,,,BZM:A:301,valid,,,,,c1ccc(cc1)COC(=O)c2ccccc2,
,,,BZM:C:301,valid,,,,,c1ccc(cc1)COC(=O)c2ccccc2,
,,,BZM:D:301,valid,,,,,c1ccc(cc1)COC(=O)c2ccccc2,
,,,1PE:B:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,BTB:A:303,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,5NNB,,,,,,,
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,92K:B:302,valid,,,,,c1ccc(c(c1)C(=O)C(=O)O)N,
,,,92K:D:302,valid,,,,,c1ccc(c(c1)C(=O)C(=O)O)N,
,,,92K:A:302,valid,,,,,c1ccc(c(c1)C(=O)C(=O)O)N,
,Family. Representative Entry is ,1JGT,,,,,,,
,,,APC:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC CMA:A:801,invalid,,,,,,
,,,CMA:B:804,valid,,,,,C(C[C@@H](C(=O)O)NCCC(=O)O)CNC(=N)N,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:713,invalid,,,,,C(C(CO)O)O,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,1MC1,,,,,,,
,,,AMP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,PCX:A:703,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N1CCC1=O,
,,,PCX:B:706,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N1CCC1=O,
,,,POP:A:701,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:704,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1MB9,,,,,,,
,,,AMP:A:706,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,POP:A:705,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1MBZ,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,IOT:A:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N,
,,,IOT:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CN[C@@H](CCCNC(=N)N)C(=O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,POP:A:605,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:604,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,6V9N,,,,,,,
,,,GOL:B:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,QTD:B:2001,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5NNS,,,,,,,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,CU:A:303,Part of Protein,,,,,[Cu+2],
,,,CU:B:303,Part of Protein,,,,,[Cu+2],
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AKR:B:313,valid,,,,,C=CC(=O)O,
,,,AKR:B:314,valid,,,,,C=CC(=O)O,
,,,AKR:A:313,valid,,,,,C=CC(=O)O,
,,,AKR:A:312,valid,,,,,C=CC(=O)O,
,,,AKR:B:315,valid,,,,,C=CC(=O)O,
,,,NA:A:314,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1CLU,,,,,,,
,,,DBG:A:167,valid,Kd,=,5.4,nM,c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,6O36,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6GOD,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,6BOF,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6ZLI,,,,,,,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,QME:B:203,valid,,,,,c1ccc2c(c1)cc([nH]2)[C@H]3CCCCN3,
,,3RS3,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,CA:A:196,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,HEX:A:201,invalid,,,,,CCCCCC,
,,,HEX:A:202,invalid,,,,,CCCCCC,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,2CL6,,,,,,,
,,,CAG:X:167,valid,,,,,C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,MG:X:168,Part of Protein,,,,,[Mg+2],
,,,XY2:X:332,invalid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,5WDO,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,GNP:A:205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,3TGP,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1P2T,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,4Q01,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,2XH:B:203,invalid,,,,,c1ccc2c(c1)cccc2S,
,,,2XH:A:203,invalid,,,,,c1ccc2c(c1)cccc2S,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4M21,,,,,,,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21Y:B:201,invalid,,,,,CCC(=O)N1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)Cl,
,,6ARK,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,BQD:A:203,invalid,,,,,CCC(=O)N1CC[C@H]([C@H]1C(=O)Nc2ccc3cc(ccc3c2)Br)O,
,,6P8Y,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,O5Y:A:303,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4,
,,,O5Y:B:303,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)Cn2cc(c3c2ccc(c3)Br)C(=O)N4CCc5c(cccc5OC)C4,
,,821P,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1Q21,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:173,Part of Protein,,,,,[Mg+2],
,,5VPZ,,,,,,,
,,,GSP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,6MBQ,,,,,,,
,,,GNP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,4DSU,,,,,,,
,,,BZI:A:203,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6F76,,,,,,,
,,,GNP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CVK:F:203,valid,,,,,CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4,
,,,CVK:C:203,valid,,,,,CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4,
,,,CVK:B:203,valid,,,,,CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4,
,,,CVK:A:203,valid,,,,,CN(C)Cc1cccc(c1)Nc2ccc(cc2OC)c3cccc4c3OCCO4,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,6Q21,,,,,,,
,,,GCP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:C:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:173,Part of Protein,,,,,[Mg+2],
,,,MG:B:173,Part of Protein,,,,,[Mg+2],
,,,MG:C:173,Part of Protein,,,,,[Mg+2],
,,,MG:D:173,Part of Protein,,,,,[Mg+2],
,,6TAM,,,,,,,
,,,MZQ:A:203,invalid,,,,,CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ccc3C2)c4ccc(cc4F)F,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6O46,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4L9W,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6E6G,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,4WA7,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,3V4F,,,,,,,
,,,CA:A:191,Part of Protein,,,,,[Ca+2],
,,,CA:A:196,Part of Protein,,,,,[Ca+2],
,,,DTU:A:201,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,3K9N,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,5OCO,,,,,,,
,,,9RK:E:202,valid,,,,,c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3,
,,,9RK:D:202,valid,,,,,c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3,
,,,9RK:B:202,valid,,,,,c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3,
,,,9RK:C:202,valid,,,,,c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3,
,,,9RK:F:202,valid,,,,,c1ccc2c(c1)OC[C@H](O2)CNC(=O)c3ccco3,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:E:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:204,Part of Protein,,,,,[Mg+2],
,,,MG:F:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,4M1T,,,,,,,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21M:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl,
,,6P8X,,,,,,,
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,GDP:B:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,O5V:C:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br,
,,,O5V:B:305,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br,
,,,O5V:D:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br,
,,,O5V:A:305,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2C(=O)N3CC=C(C3)c4ccccc4)Br,
,,6ZL3,,,,,,,
,,,EZZ:A:203,valid,,,,,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,6MTA,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4XVQ,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,5V71,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,8ZG:B:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:C:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:F:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:E:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:D:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,5VP7,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PGE:A:203,invalid,,,,,C(COCCOCCO)O,
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:F:203,Part of Protein,,,,,[Na+],
,,2QUZ,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:273,Part of Protein,,,,,[Mg+2],
,,6GJ7,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GCP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,F0B:A:203,valid,,,,,c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O,
,,4L8G,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:203,invalid,,,,,[Na+],
,,5VBM,,,,,,,
,,,92V:A:203,invalid,,,,,COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2RGD,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,4PZY,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,2XR:B:203,invalid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)CCl,
,,,2XR:B:204,invalid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)CCl,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4LPK,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:B:203,invalid,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,4DLV,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,DTT:A:205,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GNP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,4LRW,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2CLD,,,,,,,
,,,GDP:X:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:X:168,Part of Protein,,,,,[Mg+2],
,,6E6C,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4M1W,,,,,,,
,,,GDP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21R:A:202,invalid,,,,,CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl,
,,,21R:C:201,invalid,,,,,CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl,
,,,21R:B:201,invalid,,,,,CCc1cc(c(cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)CC)Cl)Cl,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,3L8Z,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,3LBH,,,,,,,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:169,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,6PGP,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,OHY:A:504,invalid,,,,,CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C,
,,,OHY:B:504,invalid,,,,,CCC(=O)N1CCN(CC1)C2=NC(=O)N(c3c2cc(c(c3)c4c(cccc4F)O)Cl)c5ccccc5C(C)C,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,721P,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1LF5,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:273,Part of Protein,,,,,[Mg+2],
,,1GNR,,,,,,,
,,,CAG:A:167,valid,,,,,C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,4LUC,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,20G:B:203,invalid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS,
,,,20G:A:203,invalid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)NC(=O)CCCS,
,,,GDP:B:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2RGE,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,4DLS,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GNP:A:205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,4DST,,,,,,,
,,,9LI:A:201,valid,,,,,Cc1c(c2c([nH]1)cc(cc2Cl)Cl)CCN,
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,GCP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:208,Part of Protein,,,,,[Mg+2],
,,4M22,,,,,,,
,,,22C:B:202,invalid,,,,,CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl,
,,,22C:C:202,invalid,,,,,CCC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2Cl)Cl,
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,4DLY,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,DTT:A:204,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:207,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GNP:A:208,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,6M9W,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1ZW6,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GNP:A:268,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:269,Part of Protein,,,,,[Mg+2],
,,6UT0,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,M1X:A:203,invalid,,,,,C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F,
,,,M1X:B:203,invalid,,,,,C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F,
,,,M1X:C:203,invalid,,,,,C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F,
,,,M1X:D:203,invalid,,,,,C[C@@H](C(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5c(ccc6)Cl)F,
,,2RGC,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,5VQ1,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5V9L,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,91D:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl,
,,,91D:C:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl,
,,,91D:B:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4ccccc4F)Cl,
,,2CL0,,,,,,,
,,,GNP:X:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:X:167,Part of Protein,,,,,[Mg+2],
,,,MG:X:168,Part of Protein,,,,,[Mg+2],
,,,MG:X:169,Part of Protein,,,,,[Mg+2],
,,,MG:X:170,Part of Protein,,,,,[Mg+2],
,,,MG:X:171,Part of Protein,,,,,[Mg+2],
,,,TRS:X:199,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,XY2:X:332,invalid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,4TQA,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,6GOF,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6GOM,,,,,,,
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:205,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,F6E:A:204,valid,,,,,CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4,
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3RRZ,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:217,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:218,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:219,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:223,invalid,,,,,C(C(CO)O)O,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,5VPY,,,,,,,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,9GM:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,9GM:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@H]([C@@H]([C@@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4DSO,,,,,,,
,,,BEN:A:203,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GSP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,2EVW,,,,,,,
,,,CAG:X:367,valid,,,,,C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,MG:X:368,Part of Protein,,,,,[Mg+2],
,,,XY2:X:332,valid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,2RGB,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,4LDJ,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1XJ0,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:181,Part of Protein,,,,,[Mg+2],
,,,MG:A:182,Part of Protein,,,,,[Mg+2],
,,6E6P,,,,,,,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,NA:C:204,Part of Protein,,,,,[Na+],
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,1ZVQ,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:181,Part of Protein,,,,,[Mg+2],
,,,MG:A:182,Part of Protein,,,,,[Mg+2],
,,5VQ6,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GSP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,6DZH,,,,,,,
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DTT:B:205,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,1P2S,,,,,,,
,,,ETF:A:400,valid,,,,,C(C(F)(F)F)O,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,5V6V,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,invalid,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,8YA:A:204,invalid,,,,,Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2,
,,,8YA:B:207,invalid,,,,,Cc1ccc2c(c1c3c(cc4c(c3F)ncnc4N5CCN(CC5)C(=O)CCN)Cl)cn[nH]2,
,,621P,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1P2V,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,HEZ:A:1870,invalid,,,,,C(CCCO)CCO,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,2CL7,,,,,,,
,,,GTP:X:1167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:X:168,Part of Protein,,,,,[Mg+2],
,,,MG:X:169,Part of Protein,,,,,[Mg+2],
,,,XY2:X:332,invalid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,3OIW,,,,,,,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:168,Part of Protein,,,,,[Ca+2],
,,,CA:A:171,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,4LV6,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,GDP:B:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,20H:B:203,invalid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS,
,,,20H:A:203,invalid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)N2CCC(CC2)C(=O)NCCS,
,,6P8Z,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,GDP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,O5S:B:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C,
,,,O5S:A:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)Cn2c3c(cc(cc3c(c2C4CC4)C(=O)N5CCc6c(cccc6OC)C5)Cl)C,
,,4DLT,,,,,,,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,1P2U,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,IPA:A:171,invalid,,,,,CC(C)O,
,,,IPA:A:172,invalid,,,,,CC(C)O,
,,,IPA:A:173,invalid,,,,,CC(C)O,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,6MS9,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6QUW,,,,,,,
,,,GCP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,JJQ:B:203,valid,,,,,C[C@@]12CC(N[C@@]1(Nc3c2cccc3)C)(C)C,
,,5V6S,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,8YD:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(ccc5c4cn[nH]5)C)Cl,
,,5UK9,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6ASE,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3RS0,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,,YEG:A:206,invalid,,,,,C1CCC(C1)O,
,,,YEG:A:216,invalid,,,,,C1CCC(C1)O,
,,6PGO,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,OJ1:A:303,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl,
,,,OJ1:B:303,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3c(nn2)c4ccccc4)c5c(cccc5F)O)Cl,
,,5B30,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,invalid,,,,,[Ca+2],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,5B2Z,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,3KKN,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,4M1O,,,,,,,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21J:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl,
,,6P8W,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,O67:A:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br,
,,,O67:B:304,invalid,,,,,CCC(=O)N1CC(C1)NC(=O)COc2ccc(cc2NC(=O)c3cc(no3)C)Br,
,,,GDP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5VQ0,,,,,,,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4M1Y,,,,,,,
,,,21S:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2c(cc(c3c2nsn3)Cl)Cl,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5VPI,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5W22,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6GJ6,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,EZZ:A:204,valid,Kd,=,20.4,uM,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,,GCP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6MQN,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3I3S,,,,,,,
,,,CA:R:169,Part of Protein,,,,,[Ca+2],
,,,GNP:R:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:R:168,Part of Protein,,,,,[Mg+2],
,,,MG:R:170,Part of Protein,,,,,[Mg+2],
,,,MG:R:171,Part of Protein,,,,,[Mg+2],
,,4OBE,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3RRY,,,,,,,
,,,CA:A:191,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,1QRA,,,,,,,
,,,GTP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,6USX,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,M1R:B:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6,
,,,M1R:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6,
,,6QUX,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,JJN:B:205,valid,Kd,=,1,mM,CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3,
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GCP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6GJ8,,,,,,,
,,,F0K:A:201,valid,,,,,Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O,
,,,GCP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6BP1,,,,,,,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6USZ,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,QH4:A:203,invalid,,,,,CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OC[C@@H]4CCCN4C)CN(CC3)c5cccc6c5cccc6,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4LYJ,,,,,,,
,,,GDP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,21F:A:202,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I,
,,121P,,,,,,,
,,,GCP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,6GJ5,,,,,,,
,,,GCP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,F0N:B:203,valid,Kd,=,440,uM,c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4,
,,,F0N:A:203,valid,Kd,=,440,uM,c1ccc2c(c1)c(c([nH]2)[C@H]3CCCN3)[C@@H]4c5ccccc5C(=O)N4,
,,1RVD,,,,,,,
,,,DBG:A:167,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2)N)N[P@@](=O)(N[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,5VBZ,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,92V:C:301,invalid,,,,,COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F,
,,2RGA,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,3RS7,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,5UHV,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,2CLC,,,,,,,
,,,GTP:X:1167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:X:168,Part of Protein,,,,,[Mg+2],
,,,MG:X:169,Part of Protein,,,,,[Mg+2],
,,,XY2:X:332,invalid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,4EPT,,,,,,,
,,,0QW:A:203,valid,,,,,c1ccc(c(c1)C(=S)N2CCCC2)O,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,4EPY,,,,,,,
,,,0QY:A:203,valid,Kd,=,340,uM,c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccc(cc4n3)NC(=O)[C@@H]5CCCN5,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,4DLZ,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,DTU:A:204,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:A:206,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,GNP:A:208,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,1AGP,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1GNQ,,,,,,,
,,,CAG:A:167,valid,,,,,C[C@H](c1ccccc1[N+](=O)[O-])O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,2Q21,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:173,Part of Protein,,,,,[Mg+2],
,,3RS2,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,ETF:A:201,invalid,,,,,C(C(F)(F)F)O,
,,,ETF:A:202,invalid,,,,,C(C(F)(F)F)O,
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,5VQ8,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6MBT,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,4L9S,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:A:205,invalid,,,,,[Na+],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6B0Y,,,,,,,
,,,8ZG:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,8ZG:B:204,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4ccccc4F)Cl,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GDP:B:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,6GQT,,,,,,,
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,F8N:D:203,valid,,,,,COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4,
,,,F8N:C:203,valid,,,,,COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4,
,,,F8N:B:203,valid,,,,,COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4,
,,,F8N:F:203,valid,,,,,COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NCCCn4ccnc4,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:204,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:204,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4M1S,,,,,,,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21K:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2ccc(cc2Cl)Cl,
,,4EPV,,,,,,,
,,,0QX:A:203,valid,,,,,c1ccc2c(c1)c(c[nH]2)Cc3[nH]c4ccncc4n3,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,5WDP,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,invalid,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,6QUU,,,,,,,
,,,GCP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6GOE,,,,,,,
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4TQ9,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,3K8Y,,,,,,,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:169,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,3OIV,,,,,,,
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,DTT:A:171,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:172,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,5OCT,,,,,,,
,,,MG:E:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:204,Part of Protein,,,,,[Mg+2],
,,,MG:F:205,Part of Protein,,,,,[Mg+2],
,,,9R5:A:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:C:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:E:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:F:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:B:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:D:203,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:D:202,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:F:203,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,9R5:E:203,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,DMS:F:204,invalid,,,,,CS(=O)C,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,5VBE,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,92V:A:202,invalid,,,,,COc1ccc(cc1)n2c(c(cn2)C(=O)NCCCS)C(F)(F)F,
,,4Q02,,,,,,,
,,,2XG:A:203,invalid,,,,,c1cc(c(cc1S)F)F,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6ZIR,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,GDP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EZZ:A:204,valid,Kd,=,33,uM,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,,EZZ:A:205,valid,Kd,=,33,uM,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,3LBI,,,,,,,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:169,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,3RSL,,,,,,,
,,,CA:A:591,Part of Protein,,,,,[Ca+2],
,,,CA:A:593,Part of Protein,,,,,[Ca+2],
,,,CA:A:596,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:592,Part of Protein,,,,,[Mg+2],
,,,RSF:A:203,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:204,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:205,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:206,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:207,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:208,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:209,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:210,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:211,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:212,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:213,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:214,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:215,invalid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,6TAN,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MZN:A:203,invalid,,,,,CCC(=O)N1CC[C@H](C1)C2=NC(=O)c3cc(ncc3C2)c4c(cccc4F)O,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4DSN,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,6T5B,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,O7K:A:203,valid,,,,,CCC(=O)N1C[C@@H]2C(=O)N(c3cnc4c(c3N2C[C@H]1C)cc(c(c4F)c5c(cccc5F)O)Cl)C,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PQ3,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6GOG,,,,,,,
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CIT:D:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:204,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1LF0,,,,,,,
,,,CA:A:169,Part of Protein,,,,,[Ca+2],
,,,CA:A:170,Part of Protein,,,,,[Ca+2],
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,1XCM,,,,,,,
,,,GNP:A:170,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,,MG:A:172,Part of Protein,,,,,[Mg+2],
,,421P,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,4DLR,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,DTU:A:203,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,GNP:A:208,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,2CE2,,,,,,,
,,,GDP:X:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:X:170,Part of Protein,,,,,[Mg+2],
,,,XY2:X:190,invalid,,,,,CC(=O)N(C)CCN(C)c1ccc(c2c1non2)[N+](=O)[O-],
,,4QL3,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,4Q21,,,,,,,
,,,GDP:A:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:273,Part of Protein,,,,,[Mg+2],
,,4DLU,,,,,,,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,1CTQ,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,5OCG,,,,,,,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,9R5:A:203,valid,,,,,c1cc2c(cc1Cl)OC[C@H](O2)CN,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,3OIU,,,,,,,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:170,Part of Protein,,,,,[Ca+2],
,,,CA:A:171,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,6QUV,,,,,,,
,,,GCP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,JJN:B:201,valid,Kd,=,1,mM,CC1(CCN(CC1)C)[C@@]23[C@@H](c4ccccc4C(=O)N2)c5ccccc5N3,
,,6B0V,,,,,,,
,,,C8G:A:203,invalid,,,,,CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl,
,,,C8G:B:203,invalid,,,,,CCC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNc3cc(c(cc3O)Cl)Cl,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,GDP:B:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3RS5,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,DMF:A:201,invalid,,,,,CN(C)C=O,
,,,DMF:A:202,invalid,,,,,CN(C)C=O,
,,,DMF:A:203,invalid,,,,,CN(C)C=O,
,,,DMF:A:220,invalid,,,,,CN(C)C=O,
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,6OIM,,,,,,,
,,,MOV:A:303,invalid,,,,,CCC(=O)N1CCN([C@H](C1)C)C2=NC(=O)N(c3c2cc(c(n3)c4c(cccc4F)O)F)c5c(ccnc5C(C)C)C,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4EPW,,,,,,,
,,,0QV:A:203,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=S)N3CCC(CC3)O,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,5WDQ,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:210,invalid,,,,,[Mg+2],
,,,MG:A:208,Part of Protein,,,,,[Mg+2],
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,1IOZ,,,,,,,
,,,GDP:A:1180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,221P,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,4LYH,,,,,,,
,,,GDP:C:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,21F:C:202,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I,
,,,21F:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2OC)Cl)I,
,,4DLX,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,DTU:A:205,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,GNP:A:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,6ZJ0,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,GCP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,EZZ:A:204,valid,,,,,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,4Q03,,,,,,,
,,,2XE:A:203,invalid,,,,,c1cc(ccc1S)Br,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4PZZ,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,2XO:A:203,invalid,,,,,c1ccc2c(c1)[nH]c(n2)CS,
,,3KKM,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,SO4:A:169,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:170,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JAI,,,,,,,
,,,GCP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MN:A:168,Part of Protein,,,,,[Mn+2],
,,3L8Y,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,YCN:A:300,invalid,,,,,C1CNCCNCCNCCN1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3RS4,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,HEZ:A:201,invalid,,,,,C(CCCO)CCO,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,3LBN,,,,,,,
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,4NMM,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,Y9Z:A:202,valid,,,,,CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O,
,,5VQ2,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3RSO,,,,,,,
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,,CA:A:195,Part of Protein,,,,,[Ca+2],
,,,GNP:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,RSG:A:204,invalid,,,,,C1CO[C@@H]2[C@H]1[C@@H](CO2)O,
,,,RSG:A:208,invalid,,,,,C1CO[C@@H]2[C@H]1[C@@H](CO2)O,
,,4XVR,,,,,,,
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,5P21,,,,,,,
,,,GNP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,5F2E,,,,,,,
,,,GDP:A:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,5UT:A:204,invalid,,,,,CC1(CC1)c2cc(c(cc2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C,
,,,GLY:A:205,invalid,,,,,C(C(=O)O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4EPX,,,,,,,
,,,0QR:A:203,valid,,,,,c1cc(nc(c1)NS(=O)(=O)c2ccc(cc2)F)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6ZL5,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,F0K:A:203,valid,Kd,=,2,uM,Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MQG,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4EPR,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6P0Z,,,,,,,
,,,ACE:A:203,invalid,,,,,CC=O,
,,,ACE:B:204,invalid,,,,,CC=O,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,6MNX,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,GTP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4DLW,,,,,,,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,5WHD,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6CU6,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,GNP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,6ZIZ,,,,,,,
,,,EZZ:A:203,valid,,,,,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,,EZZ:B:203,valid,,,,,CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5V9O,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,91G:A:203,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3nc(n2)NCCC(=O)N(C)C)c4cc(cc5c4cccc5)O)Cl,
,,5V9U,,,,,,,
,,,91S:B:204,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl,
,,,91S:A:204,invalid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(c(c3ncn2)F)c4c(cccc4F)O)Cl,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,GDP:A:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2RGG,,,,,,,
,,,GNP:A:528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,6E6H,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4LYF,,,,,,,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,21C:B:201,invalid,,,,,CCS(=O)(=O)NC1CCN(CC1)C(=O)CNc2cc(c(cc2O)Cl)Cl,
,,6MBU,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,6T5V,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MKZ:A:203,valid,,,,,CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc5c4cn[nH]5)C)Cl,
,,1JAH,,,,,,,
,,,GCP:A:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5EXW,,,,,,,
,,,7DT:B:501,valid,Kd,=,0.000000064,M,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,7DT:A:501,valid,Kd,=,0.000000064,M,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,5EY4,,,,,,,
,,,DTP:A:501,valid,Kd,=,0.00075,M,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:501,valid,Kd,=,0.00075,M,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,5EX5,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,7DD:A:503,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,7DD:B:503,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,5F1X,,,,,,,
,,,ATP:A:501,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3LDP,,,,,,,
,,,3P1:A:408,valid,Kd,=,2.41,uM,c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N,
,,,3P1:B:502,valid,Kd,=,2.41,uM,c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N,
,,5F2R,,,,,,,
,,,ACP:A:501,valid,Kd,=,0.000052,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:501,valid,Kd,=,0.000052,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,3LDO,,,,,,,
,,,ANP:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5EVZ,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A501:0,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:501,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,3LDL,,,,,,,
,,,ATP:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:1,invalid,,,,,[Mg+2],
,,5F0X,,,,,,,
,,,DTP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG  PO4:A:501,invalid,,,,,,
,,,DAT:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,3IUC,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:411,Part of Protein,,,,,[Ca+2],
,,,CA:C:411,Part of Protein,,,,,[Ca+2],
,,,CA:C:412,Part of Protein,,,,,[Ca+2],
,,6ZYH,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6AID,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,9YL:A:404,valid,,,,,CCOC(=O)[C@@H](C)O,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,LAC:A:407,valid,,,,,C[C@H](C(=O)O)O,
,Family. Representative Entry is ,1O9P,,,,,,,
,,,MLA:A:501,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:501,valid,,,,,C(C(=O)O)C(=O)O,
,,1OBL,,,,,,,
,,,MLA:A:501,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:501,valid,,,,,C(C(=O)O)C(=O)O,
,,1O9O,,,,,,,
,,,MLM:A:501,valid,,,,,C(C(=O)N)C(=O)O,
,,,MLM:B:501,valid,,,,,C(C(=O)N)C(=O)O,
,,1OCL,,,,,,,
,,,MLA:A:1413,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:1413,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,3KPE,,,,,,,
,,,PG4:A:210,invalid,,,,,C(COCCOCCOCCO)O,
,,,TM3:A:1,valid,,,,,Cc1ccc(c(c1)NCc2ccc3c(c2)n(c(n3)NCCCN4CCOCC4)Cc5c(ccc(n5)C)O)CCCO,
,Family. Representative Entry is ,4AG5,,,,,,,
,,,ADP:A:1591,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1589,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1590,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1593,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1590,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1589,Part of Protein,,,,,[Mg+2],
,,,MG:B:1588,Part of Protein,,,,,[Mg+2],
,,,MG:C:1533,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1592,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MUQ,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,PE3:A:307,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:309,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:308,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:310,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,LY0:A:302,valid,,,,,C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,2D8:A:303,valid,,,,,C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O,
,Family. Representative Entry is ,5GG9,,,,,,,
,,,8GT:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O,
,,,POP:A:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,8GM:A:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O,
,,5XD2,,,,,,,
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,5FA:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,5GG7,,,,,,,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,8OG:B:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,8OG:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,POP:A:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,8DG:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5GG8,,,,,,,
,,,POP:A:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,8OG:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,8DG:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5XD4,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,5XD5,,,,,,,
,,,MG:B:410,invalid,,,,,[Mg+2],
,,,MG:A:408,invalid,,,,,[Mg+2],
,,,MG:B:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:B:409,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,CL:B:416,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:B:414,invalid,,,,,[Cl-],
,,,CL:B:415,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,F:B:413,invalid,,,,,[F-],
,,,F:B:411,invalid,,,,,[F-],
,,,F:B:412,invalid,,,,,[F-],
,,,F:A:409,invalid,,,,,[F-],
,,,F:A:410,invalid,,,,,[F-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5GG6,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,8DG:B:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5XD1,,,,,,,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,5FA:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6M72,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,8GD:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,POP:A:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,5GGB,,,,,,,
,,,8GD:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,5GGA,,,,,,,
,,,POP:A:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,G8D:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)OP(=O)(O)O,
,,,8GM:A:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)NC2=O)O)O)OP(=O)(O)O,
,,6M6Y,,,,,,,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,8DG:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,POP:A:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,5XD3,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,6M65,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,POP:A:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6M69,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,POP:A:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1TX4,,,,,,,
,,,ALF GDP:B:682,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:B:681,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5SWI,,,,,,,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:709,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CA:D:705,Part of Protein,,,,,[Ca+2],
,,,BMA:C:703,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:708,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:706,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:D:704,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1SZO,,,,,,,
,,,CA:B:2001,invalid,,,,,[Ca+2],
,,,CA:F:2002,invalid,,,,,[Ca+2],
,,,CA:I:2003,invalid,,,,,[Ca+2],
,,,CA:K:2004,invalid,,,,,[Ca+2],
,,,CAX:A:5001,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:B:5002,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:C:5003,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:D:5004,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:E:5005,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:F:5006,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:G:5007,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:H:5008,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:I:5009,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:J:5010,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:K:5011,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,,,CAX:L:5012,valid,,,,,C[C@@H]1C(=O)C[C@H](C1(C)C)CC(O)O,
,Family. Representative Entry is ,1GP2,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1GG2,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1OW3,,,,,,,
,,,GDP:B:680,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:681,Part of Protein,,,,,[Mg+2],
,,,MGF:B:682,invalid,,,,,F[Mg-](F)F,
,,5M70,,,,,,,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:G:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ALF:G:203,invalid,,,,,F[Al-](F)(F)F,
,,,ALF:B:203,invalid,,,,,F[Al-](F)(F)F,
,,,MG:G:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,5M6X,,,,,,,
,,,GDP:I:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MGF:I:203,invalid,,,,,F[Mg-](F)F,
,,,MGF:B:203,invalid,,,,,F[Mg-](F)F,
,,,MG:I:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OG9,,,,,,,
,,,MLT:A:500,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:500,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,2XCF,,,,,,,
,,,BBQ:A:1182,valid,,,,,B12([C@H](CCO1)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)Oc5c6ccccc6ccn5)OCC(CO2)O,
,,,MG:A:1181,Part of Protein,,,,,[Mg+2],
,,,MG:C:1041,Part of Protein,,,,,[Mg+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5MWK,,,,,,,
,,,BR:A:1209,invalid,,,,,[Br-],
,,,BR:A:1210,invalid,,,,,[Br-],
,,,CA:A:1208,Part of Protein,,,,,[Ca+2],
,,,IOD:A:1207,invalid,,,,,[I-],
,,,RAM 8OQ GAL 8PK ARA RAM:B:1,valid,,,,,O=C([O-])C1(O)C(OC2C(OC3C(OC)C(O)C(O)C(C)O3)C(O)C(OC3C(OC4C(O)C(O)C(O)C(C)O4)C(O)C(O)CO3)C(CO)O2)C(OC2C(O)C(O)OC(C)C2O)OC1C,
,,5MQM,,,,,,,
,,,CA:A:1202,invalid,,,,,[Ca+2],
,,,CA:A:1203,invalid,,,,,[Ca+2],
,,,CA:A:1201,Part of Protein,,,,,[Ca+2],
,,,RPQ:A:1204,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H](c2n1nnn2)O)O)O,
,,,PG4:A:1206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1207,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1208,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6KJP,,,,,,,
,,,D9F:A:402,valid,,,,,C[C@@H]1CCC/C=C/C=C[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=CC(=O)O1)O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6KJQ,,,,,,,
,,,D9F:A:401,valid,,,,,C[C@@H]1CCC/C=C/C=C[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=C/C=CC(=O)O1)O)O)O,
,,6KJR,,,,,,,
,,,D9O:A:401,valid,,,,,C[C@@H]1CCC/C=C/C=C[C@@H](C[C@H](C/C=C/C=C/[C@H](C/C=CC=CC(=O)O1)OC(=O)CCC(=O)O)O)O,
,,6KJJ,,,,,,,
,,,D9L:A:401,valid,,,,,CC(=O)NCCSC(=O)CCC(=O)O,
,Family. Representative Entry is ,6VJF,,,,,,,
,,,GCP:A:701,valid,Kd,=,18,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:701,valid,Kd,=,18,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:701,valid,Kd,=,18,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:C:701,valid,Kd,=,18,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,6DEF,,,,,,,
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,GCP:C:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6DI7,,,,,,,
,,,GDP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6G14,,,,,,,
,,,G4P:A:301,valid,Kd,=,3.26,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:B:301,valid,Kd,=,3.26,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,6G12,,,,,,,
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6G15,,,,,,,
,,,C1Z:A:301,valid,Kd,=,4.31,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N,
,,,C1Z:B:301,valid,Kd,=,4.31,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)NC(=NC2=O)N,
,,6G0Z,,,,,,,
,,,GDP:B:301,valid,Kd,=,4.84,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,Kd,=,4.84,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6D5E,,,,,,,
,,,FVG:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5CN)Cl,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2011,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GOL:B:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:B:2010,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,NA:C:203,Part of Protein,,,,,[Na+],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WLB,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,PG4:A:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2GJ8,,,,,,,
,,,ALF GDP:A:601,valid,Kd,=,0.92,uM,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:B:611,valid,Kd,=,0.92,uM,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:C:621,valid,Kd,=,0.92,uM,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:D:631,valid,Kd,=,0.92,uM,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:613,Part of Protein,,,,,[K+],
,,,K:C:623,Part of Protein,,,,,[K+],
,,,K:D:633,Part of Protein,,,,,[K+],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:612,Part of Protein,,,,,[Mg+2],
,,,MG:C:622,Part of Protein,,,,,[Mg+2],
,,,MG:D:632,Part of Protein,,,,,[Mg+2],
,,,SE:A:641,Part of Protein,,,,,[SeH2],
,,,SE:C:643,Part of Protein,,,,,[SeH2],
,,,SE:D:642,Part of Protein,,,,,[SeH2],
,,2GJ9,,,,,,,
,,,ALF:A:401,valid,,,,,F[Al-](F)(F)F,
,,,ALF GDP:B:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:C:601,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:D:701,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,RB:A:403,invalid,,,,,[Rb+],
,,,RB:B:503,invalid,,,,,[Rb+],
,,,RB:C:603,invalid,,,,,[Rb+],
,,,RB:D:703,invalid,,,,,[Rb+],
,,2GJA,,,,,,,
,,,ALF GDP:A:401,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:B:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NH4:A:403,invalid,,,,,[NH4+],
,,,NH4:B:503,invalid,,,,,[NH4+],
,Family. Representative Entry is ,6UB1,,,,,,,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6UAZ,,,,,,,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1TAD,,,,,,,
,,,ALF:C:355,valid,,,,,F[Al-](F)(F)F,
,,,ALF GDP:A:355,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:B:355,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,CA:A:352,Part of Protein,,,,,[Ca+2],
,,,CA:B:352,Part of Protein,,,,,[Ca+2],
,,,CA:C:352,Part of Protein,,,,,[Ca+2],
,,,CAC:A:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:354,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:354,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:354,invalid,,,,,C[As](=O)(C)[O-],
,,,GDP:C:351,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1TAG,,,,,,,
,,,GDP:A:351,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:352,Part of Protein,,,,,[Mg+2],
,,1TND,,,,,,,
,,,CAC:A:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:354,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:354,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:353,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:354,invalid,,,,,C[As](=O)(C)[O-],
,,,GSP:A:351,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:351,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:C:351,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:352,Part of Protein,,,,,[Mg+2],
,,,MG:B:352,Part of Protein,,,,,[Mg+2],
,,,MG:C:352,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3WSJ,,,,,,,
,,,SO4:A:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:212,invalid,,,,,C(COCCOCCOCCO)O,
,,,MK1:A:201,valid,Ki,=,35,uM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,3LIT,,,,,,,
,,,E15:A:117,valid,,,,,C[C@H](C(C)C)NC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C,
,,3LIQ,,,,,,,
,,,E14:B:117,valid,,,,,CC(C)CNC(=O)[C@@H]1C(SCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)N)O)(C)C,
,,3LIN,,,,,,,
,,,E13:B:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,,E13:C:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,,E13:E:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,,E13:H:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,,E13:I:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,,E13:L:117,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](c3ccccc3)NC(=O)OC)O)C(=O)NCC(C)(C)C)C,
,,3LIY,,,,,,,
,,,ACE ALA PRO GLN VAL STA VAL MET HIS PRO:I:402,valid,,,,,S(CCC(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(N)C)CCC1)CCC(=O)N)C(C)C)CC(C)C)C(C)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)Cc1nc[nH]c1)C,
,,,ACE ALA PRO GLN VAL STA VAL MET HIS PRO:J:402,valid,,,,,S(CCC(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(N)C)CCC1)CCC(=O)N)C(C)C)CC(C)C)C(C)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)Cc1nc[nH]c1)C,
,,,ACE ALA PRO GLN VAL STA VAL MET HIS PRO:K:402,valid,,,,,S(CCC(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(N)C)CCC1)CCC(=O)N)C(C)C)CC(C)C)C(C)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)Cc1nc[nH]c1)C,
,,,PEG:A:117,invalid,,,,,C(COCCO)O,
,,,PEG:C:117,invalid,,,,,C(COCCO)O,
,,,PEG:E:117,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4P5F,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,AR6:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,3IVM,,,,,,,
,,,ZPR:A:1000,valid,,,,,c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O,
,,,ZPR:A:999,valid,,,,,c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O,
,,3IUQ,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,ZPR:A:700,valid,,,,,c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O,
,Family. Representative Entry is ,3TUR,,,,,,,
,,,0JC:A:501,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:A:502,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:A:503,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:A:504,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:B:502,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:B:503,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:B:504,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,0JC:B:505,invalid,,,,,C1C[NH2][Pt+]2([NH2]1)I[Pt+]3(I2)[NH2]CC[NH2]3,
,,,6CL:A:506,valid,,,,,C(C[C@H](C(=O)O)[NH3+])C[C@@H](C(=O)O)N,
,,,DGL:A:505,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,PT:B:501,invalid,,,,,[Pt+2],
,,4GSU,,,,,,,
,,,DWZ:A:501,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,DWZ:B:501,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,Family. Representative Entry is ,1QXA,,,,,,,
,,,ETM:A:248,invalid,,,,,C[N+](C)(C)CCS,
,,,GLY GLY GLY:B:245,valid,,,,,O=C(NCC(=O)NCC=O)C[NH3+],
,Family. Representative Entry is ,1AV5,,,,,,,
,,,AP2:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5C5T,,,,,,,
,,,AKG:B:301,valid,Kd,=,681,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,Kd,=,681,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6R3U,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,FRU FRU FRU FRU:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(O)(CO)O2)(CO)O1)C1(CO)C(O)C(O)C(COC2(CO)C(O)C(O)C(CO)O2)O1,
,Family. Representative Entry is ,3NJG,,,,,,,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,3NJF,,,,,,,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:D:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,3NJI,,,,,,,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,3NJN,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PRO ALA ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)C(CC)C,
,,,PRO ALA ILE ILE ASN ARG PRO GLN ASN:D:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)C(CC)C,
,,3NJJ,,,,,,,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,3N55,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,BME:A:501,invalid,,,,,C(CS)O,
,,,PRO GLN ILE ILE ASN ARG PRO GLN ASN:B:117,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CC(=O)N)C(CC)C)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)C(CC)C,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2CDO,,,,,,,
,,,CA:A:1139,Part of Protein,,,,,[Ca+2],
,,,CA:A:1140,Part of Protein,,,,,[Ca+2],
,,,CA:B:1139,Part of Protein,,,,,[Ca+2],
,,,CA:B:1140,Part of Protein,,,,,[Ca+2],
,,,CA:C:1139,Part of Protein,,,,,[Ca+2],
,,,CA:C:1140,Part of Protein,,,,,[Ca+2],
,,,CA:D:1139,Part of Protein,,,,,[Ca+2],
,,,CA:D:1140,Part of Protein,,,,,[Ca+2],
,,,CL:A:1141,invalid,,,,,[Cl-],
,,,CL:A:1142,invalid,,,,,[Cl-],
,,,CL:A:1143,invalid,,,,,[Cl-],
,,,CL:B:1143,invalid,,,,,[Cl-],
,,,CL:B:1144,invalid,,,,,[Cl-],
,,,CL:C:1142,invalid,,,,,[Cl-],
,,,CL:C:1143,invalid,,,,,[Cl-],
,,,CL:C:1144,invalid,,,,,[Cl-],
,,,CL:D:1141,invalid,,,,,[Cl-],
,,,CL:D:1142,invalid,,,,,[Cl-],
,,,EDO:B:1141,invalid,,,,,C(CO)O,
,,,EDO:B:1142,invalid,,,,,C(CO)O,
,,,EDO:B:1145,invalid,,,,,C(CO)O,
,,,EDO:C:1141,invalid,,,,,C(CO)O,
,,,EDO:C:1145,invalid,,,,,C(CO)O,
,,,EDO:C:1146,invalid,,,,,C(CO)O,
,,,EDO:D:1143,invalid,,,,,C(CO)O,
,,,GAL AAL GAL AAL GAL AAL:H:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:E:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:G:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:F:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,Family. Representative Entry is ,1QHH,,,,,,,
,,,ATP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2V4V,,,,,,,
,,,NA:A:3052,Part of Protein,,,,,[Na+],
,,,XYP:A:3051,valid,Ka,=,1700,M^-1,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3REF,,,,,,,
,,,GDP:A:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,MG:B:550,Part of Protein,,,,,[Mg+2],
,,,SO4:A:193,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:194,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3REG,,,,,,,
,,,GSP:A:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,,,MG:B:550,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1FQK,,,,,,,
,,,ALF:A:362,valid,,,,,F[Al-](F)(F)F,
,,,ALF:C:363,valid,,,,,F[Al-](F)(F)F,
,,,GDP:A:360,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:361,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:352,Part of Protein,,,,,[Mg+2],
,,,MG:C:352,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5T63,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ALA ALA ALA ALA:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,Family. Representative Entry is ,6EXO,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,C3E:A:304,valid,Ki,=,5.1,nM,c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N,
,,,C3E:B:303,valid,Ki,=,5.1,nM,c1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OC/C=C/CO2)C(=O)NC4(CC4)C#N,
,,6EX8,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,C2K:B:305,valid,Ki,=,11,nM,c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl,
,,,C2K:A:301,valid,Ki,=,11,nM,c1cc2c(cc1C[C@H](NC(=O)c3ccc(cc3OCCCCO2)C(F)(F)F)C(=O)NC4(CC4)CN)Cl,
,,6EXQ,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,C2W:B:303,valid,Ki,=,9,nM,COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N,
,,,C2W:A:302,valid,Ki,=,9,nM,COc1ccc2c(c1)C(=O)N[C@@H](Cc3ccc(c(c3)Cl)OCCCCO2)C(=O)NC4(CC4)C#N,
,Family. Representative Entry is ,6IFG,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,TYR SER ALA:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CO)C,
,,,TYR SER ALA:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CO)C,
,Family. Representative Entry is ,6V94,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,QTV:B:2001,valid,,,,,Cc1nc(cn1Cc2ccc(cc2)F)[N+](=O)[O-],
,Family. Representative Entry is ,5WA9,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,9ZD:A:201,valid,Kd,=,0.175,uM,C[C@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6N3V,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,KB7:A:201,valid,Kd,=,2.45,uM,CCNC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)O,
,,5IPC,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,6CE:A:201,valid,Kd,=,13,uM,c1ccc2c(c1)c(c[nH]2)CCNP(=O)(O)SC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O,
,,4EQG,,,,,,,
,,,A5A:B:201,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,EPE:B:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6N3W,,,,,,,
,,,KBJ:A:201,valid,Kd,=,1.56,uM,c1ccc(cc1)CCNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,5I2E,,,,,,,
,,,67D:A:201,valid,Kd,=,0.23,uM,c1ccc2c(c1)c(c[nH]2)CCC(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,3O1C,,,,,,,
,,,ADN:A:127,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NA:A:128,Part of Protein,,,,,[Na+],
,,,NA:A:129,Part of Protein,,,,,[Na+],
,,6N3X,,,,,,,
,,,KBD:A:201,valid,Kd,=,8.09,uM,c1ccc(cc1)CNC(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,CL:B:201,invalid,,,,,[Cl-],
,,5IPE,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,6CG:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O)O)O)NC(=NC2=O)N,
,,,CL:B:201,invalid,,,,,[Cl-],
,,4RHN,,,,,,,
,,,RIB:A:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,3O1X,,,,,,,
,,,ADN:A:1450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NA:A:127,Part of Protein,,,,,[Na+],
,,4ZKL,,,,,,,
,,,AMP:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,JB6:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCO[P@](=O)(OC[C@@H](CO[P@@](=O)(OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N,
,,3QGZ,,,,,,,
,,,ADN:A:127,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,5I2F,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,BS5:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,1KPF,,,,,,,
,,,AMP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4EQH,,,,,,,
,,,EPE:B:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,WSA:B:201,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,1RZY,,,,,,,
,,,5AS:A:301,valid,Ki,=,1.25,uM,CCNS(=O)(=O)OC[C@@H]1[C@H]([C@H](C(O1)n2cnc3c2ncnc3N)O)O,
,,4EQE,,,,,,,
,,,EPE:B:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,KAA:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,6N3Y,,,,,,,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,HHJ:A:201,valid,Kd,=,3.65,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4NC(=NC5=O)N)O)O,
,,5WA8,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,9ZA:A:201,valid,Kd,=,0.587,uM,C[C@@H](C(=O)OC)NP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6B42,,,,,,,
,,,D5M:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,3RHN,,,,,,,
,,,5GP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6C9B,,,,,,,
,,,CL:C:401,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,EGV:B:401,valid,,,,,[H]/N=C(/N)NC[C@H](CC(=O)C(=O)O)O,
,,5BK7,,,,,,,
,,,EQJ:F:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:H:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:C:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:B:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:E:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:G:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:A:400,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:D:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,5DJ3,,,,,,,
,,,5DK:B:401,valid,,,,,[H]/N=C(N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,5DK:C:500,valid,,,,,[H]/N=C(N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,5DK:A:500,valid,,,,,[H]/N=C(N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,5DK:D:500,valid,,,,,[H]/N=C(N)/NCCC[C@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6BVM,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,EBV:B:2001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3HST,,,,,,,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:C:3,invalid,,,,,C(CO)O,
,,,EDO:C:396,invalid,,,,,C(CO)O,
,,,TAR:C:395,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6OGQ,,,,,,,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:102,invalid,,,,,C(COCCO)O,
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JDV:A:103,valid,ic50,=,26,nM,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,6MKL,,,,,,,
,,,7OA:A:400,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,4NPT,,,,,,,
,,,017:A:401,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,6OGT,,,,,,,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,JDY:A:102,valid,ic50,=,31,nM,CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,Family. Representative Entry is ,6SAU,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,NA:B:510,Part of Protein,,,,,[Na+],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,BGC GLC AC1 GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3C)CC2CO)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(O)C(CO)=C2)C(C)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC AC1 GLC AC1:E:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3C)CC2CO)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(O)C(CO)=C2)C(C)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLN:B:501,invalid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4RDZ,,,,,,,
,,,MYR:A:404,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:404,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,,CO:B:402,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,4RE0,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MYR:A:407,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,4RDY,,,,,,,
,,,3M5:B:403,valid,,,,,CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,3M5:A:403,valid,,,,,CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,CO:B:402,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6PKU,,,,,,,
,,,M6P:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:C:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:D:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NDG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1OJ8,,,,,,,
,,,DA  DC  DG  DA:B:301,valid,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OJ1,,,,,,,
,,,CG2:A:1106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=NC5=O)N)CO)O)O)O)N=C(NC2=O)N,
,,,SO4:A:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MUS,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,LY0:B:202,valid,,,,,C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O,
,,,LY0:A:203,valid,,,,,C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O,
,,,2D8:A:202,valid,,,,,C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O,
,,,2D8:B:203,valid,,,,,C[C@@H](CP(=O)([C@@H](C)N)O)C(=O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,4MUT,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DAL:B:202,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:A:202,valid,,,,,C[C@H](C(=O)O)N,
,,,PE3:A:204,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1Q0R,,,,,,,
,,,1PE:A:2712,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,AKT:A:600,valid,,,,,CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)N(C)C)O)C(=O)c5c(cccc5O)C3=O)O,
,,,SO4:A:3482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Q0Z,,,,,,,
,,,1PE:A:2712,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,AKA:A:600,valid,,,,,CC[C@@]1(Cc2cc3c(c(c2[C@H](C1)O[C@H]4C[C@@H]([C@@H]([C@@H](O4)C)OC5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6CCC(=O)[C@H](O6)C)O)N(C)C)O)C(=O)c7c(cccc7O)C3=O)O,
,,,SO4:A:3482,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3E7J,,,,,,,
,,,ACT:A:3,invalid,,,,,CC(=O)[O-],
,,,ACT:A:4,invalid,,,,,CC(=O)[O-],
,,,ACT:A:5,invalid,,,,,CC(=O)[O-],
,,,ACT:A:773,invalid,,,,,CC(=O)[O-],
,,,ACT:B:773,invalid,,,,,CC(=O)[O-],
,,,NAG GCU NAG GCD:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)CC(=C(O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1C(=O)[O-])C,
,,,NAG GCU NAG GCD:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)CC(=C(O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1C(=O)[O-])C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3E80,,,,,,,
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:5,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:9,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:7,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:8,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:6,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,,NDG GCD:H:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)C(O)C(O)C=1,
,,,NDG GCD:G:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)C(O)C(O)C=1,
,,,NDG GCD:I:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)C(O)C(O)C=1,
,,,MAN GCU RAM XYS:F:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYS:E:1,Part of Protein,,,,,,
,,,MAN GCU RAM XYS:D:1,Part of Protein,,,,,,
,,2FUT,,,,,,,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,,SGN UAP:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,Family. Representative Entry is ,5L7V,,,,,,,
,,,GNL:A:601,valid,Kd,=,9.6,nM,CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,GNL:B:601,valid,Kd,=,9.6,nM,CC1=N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O,
,,5L7U,,,,,,,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,NGA:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1T2W,,,,,,,
,,,LEU PRO GLU THR GLY:A:331,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(N)CC(C)C)CCC1)CCC(=O)[O-])C(O)C,
,Family. Representative Entry is ,2C3W,,,,,,,
,,,GLC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:J:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:L:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:I:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:M:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:K:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4L1A,,,,,,,
,,,AB1:A:101,valid,ic50,=,5.39,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,Family. Representative Entry is ,4QPW,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,6LGI,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,MG:A:708,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,BDF:A:706,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:B:706,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,ACT:B:707,invalid,,,,,CC(=O)[O-],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,BGC:A:704,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:704,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,FRU:B:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,6LGG,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6LGF,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6LGD,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,1AB:B:703,valid,,,,,C1[C@H]([C@@H]([C@H](N1)CO)O)O,
,,,1AB:A:705,valid,,,,,C1[C@H]([C@@H]([C@H](N1)CO)O)O,
,,,PGE:A:708,invalid,,,,,C(COCCOCCO)O,
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,6LGB,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,GLC:A:704,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,6LGE,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,BGC GLC AC1:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,BGC GLC AC1:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,invalid,,,,,[Mg+2],
,,6LGC,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,NOJ:A:703,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:703,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,Family. Representative Entry is ,2VHJ,,,,,,,
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1W4B,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,1W48,,,,,,,
,,,APC:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,2VHC,,,,,,,
,,,APC:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MN:A:1301,Part of Protein,,,,,[Mn+2],
,,,MN:B:1301,Part of Protein,,,,,[Mn+2],
,,,MN:C:1301,Part of Protein,,,,,[Mn+2],
,,2VHQ,,,,,,,
,,,ATP:A:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1328,Part of Protein,,,,,[Mg+2],
,,,MG:B:1328,Part of Protein,,,,,[Mg+2],
,,,MG:C:1328,Part of Protein,,,,,[Mg+2],
,,1W44,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1W4A,,,,,,,
,,,APC:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:C:701,Part of Protein,,,,,[Mn+2],
,,4BLR,,,,,,,
,,,UTP:B:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:C:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DTT:A:401,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,1W47,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:C:701,Part of Protein,,,,,[Mn+2],
,,1W49,,,,,,,
,,,APC:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,4BLT,,,,,,,
,,,APC:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,1UYY,,,,,,,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:1132,Part of Protein,,,,,[Ca+2],
,,,CA:A:1133,Part of Protein,,,,,[Ca+2],
,,,CA:B:1132,Part of Protein,,,,,[Ca+2],
,,,CA:B:1133,Part of Protein,,,,,[Ca+2],
,,1UYX,,,,,,,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:1133,Part of Protein,,,,,[Ca+2],
,,,CA:A:1134,Part of Protein,,,,,[Ca+2],
,,,CA:B:1135,Part of Protein,,,,,[Ca+2],
,,,CA:B:1136,Part of Protein,,,,,[Ca+2],
,,1UZ0,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1132,Part of Protein,,,,,[Ca+2],
,,,CA:A:1139,Part of Protein,,,,,[Ca+2],
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,GOL:A:1138,invalid,,,,,C(C(CO)O)O,
,,1UYZ,,,,,,,
,,,CA:A:1132,Part of Protein,,,,,[Ca+2],
,,,CA:A:1135,Part of Protein,,,,,[Ca+2],
,,,CA:B:1132,Part of Protein,,,,,[Ca+2],
,,,CA:B:1134,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1136,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1135,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1136,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1133,invalid,,,,,[Na+],
,,,NA:A:1134,invalid,,,,,[Na+],
,,,NA:B:1133,invalid,,,,,[Na+],
,,,XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,1UY0,,,,,,,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1131,Part of Protein,,,,,[Ca+2],
,,,CA:A:1136,Part of Protein,,,,,[Ca+2],
,,,CA:B:1131,Part of Protein,,,,,[Ca+2],
,,,CA:B:1137,Part of Protein,,,,,[Ca+2],
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,CL:A:1139,invalid,,,,,[Cl-],
,,,CL:B:1139,invalid,,,,,[Cl-],
,,,GOL:A:1132,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1133,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1132,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1138,invalid,,,,,[Na+],
,,,NA:B:1138,invalid,,,,,[Na+],
,,,NA:B:1140,invalid,,,,,[Na+],
,Family. Representative Entry is ,6D5G,,,,,,,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,GOL:B:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,BME:C:203,invalid,,,,,C(CS)O,
,,,FVD:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNCC5)Cl,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4FDU,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,IHS:A:501,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:B:501,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,2WVZ,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:C:800,Part of Protein,,,,,[Ca+2],
,,,CA:D:800,Part of Protein,,,,,[Ca+2],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,KIF:A:801,valid,Ki,=,96,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,KIF:B:801,valid,Ki,=,96,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,KIF:C:801,valid,Ki,=,96,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,KIF:D:801,valid,Ki,=,96,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,2WW3,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:C:800,Part of Protein,,,,,[Ca+2],
,,,CA:D:800,Part of Protein,,,,,[Ca+2],
,,,CA:E:800,Part of Protein,,,,,[Ca+2],
,,,CA:F:800,Part of Protein,,,,,[Ca+2],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:802,invalid,,,,,C(C(CO)O)O,
,,,Z5L MAN:J:1,valid,,,,,,
,,,Z5L MAN:L:1,valid,,,,,,
,,,Z5L MAN:I:1,valid,,,,,,
,,,Z5L MAN:K:1,valid,,,,,,
,,,Z5L MAN:G:1,valid,,,,,,
,,,Z5L MAN:H:1,valid,,,,,,
,,2WZS,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:C:800,Part of Protein,,,,,[Ca+2],
,,,CA:D:800,Part of Protein,,,,,[Ca+2],
,,,CA:E:800,Part of Protein,,,,,[Ca+2],
,,,CA:F:800,Part of Protein,,,,,[Ca+2],
,,,CA:G:800,Part of Protein,,,,,[Ca+2],
,,,CA:H:800,Part of Protein,,,,,[Ca+2],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:802,invalid,,,,,C(C(CO)O)O,
,,,MVL:A:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:B:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:C:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:D:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:E:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:F:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:G:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:H:801,valid,Ki,=,140,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,2WW1,,,,,,,
,,,Z5L MAN:H:1,valid,,,,,,
,,,Z5L MAN:E:1,valid,,,,,,
,,,Z5L MAN:G:1,valid,,,,,,
,,,Z5L MAN:F:1,valid,,,,,,
,Family. Representative Entry is ,4G9E,,,,,,,
,,,C4L:A:301,valid,,,,,CCCC(=O)N[C@@H](CCO)C(=O)O,
,,,C4L:B:301,valid,,,,,CCCC(=O)N[C@@H](CCO)C(=O)O,
,,4G8C,,,,,,,
,,,C6L:A:301,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,,C6L:B:301,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,4G8B,,,,,,,
,,,HL6:A:301,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL6:B:301,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,6PHR,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,SS9:B:502,valid,ic50,=,160,uM,C(CCNCCCN)CCS,
,,,SS9:A:502,valid,ic50,=,160,uM,C(CCNCCCN)CCS,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,,K:B:506,Part of Protein,,,,,[K+],
,,,MES:B:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6PHT,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:D:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:C:405,Part of Protein,,,,,[Zn+2],
,,,OKP:A:401,valid,ic50,=,390,uM,B(CCCCCNCCCN)(O)O,
,,,OKP:C:401,valid,ic50,=,390,uM,B(CCCCCNCCCN)(O)O,
,,,OKP:B:401,valid,ic50,=,390,uM,B(CCCCCNCCCN)(O)O,
,,,OKP:D:401,valid,ic50,=,390,uM,B(CCCCCNCCCN)(O)O,
,,,K:D:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,6PIC,,,,,,,
,,,ZN:F:401,Part of Protein,,,,,[Zn+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:G:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:H:401,Part of Protein,,,,,[Zn+2],
,,,K:E:402,Part of Protein,,,,,[K+],
,,,K:E:403,Part of Protein,,,,,[K+],
,,,K:G:402,Part of Protein,,,,,[K+],
,,,K:D:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:F:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:H:403,Part of Protein,,,,,[K+],
,,,K:H:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:F:403,Part of Protein,,,,,[K+],
,,,K:G:403,Part of Protein,,,,,[K+],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,K:C:403,Part of Protein,,,,,[K+],
,,,6XA:D:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:E:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:C:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:F:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:G:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:H:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:B:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,6XA:A:405,valid,ic50,=,410,uM,C(CCC(=O)NO)CCN,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:E:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:H:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:G:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,6PIA,,,,,,,
,,,XS6:C:406,valid,ic50,=,550,uM,C(CCC(=O)NO)CCNCCCN,
,,,XS6:D:405,valid,ic50,=,550,uM,C(CCC(=O)NO)CCNCCCN,
,,,XS6:A:407,valid,ic50,=,550,uM,C(CCC(=O)NO)CCNCCCN,
,,,XS6:B:406,valid,ic50,=,550,uM,C(CCC(=O)NO)CCNCCCN,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,K:D:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,6PID,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,OKS:B:405,valid,ic50,=,380,uM,C(CCCC(=O)NO)CCCN,
,,,OKS:A:406,valid,ic50,=,380,uM,C(CCCC(=O)NO)CCCN,
,,,K:A:405,Part of Protein,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,6PI1,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,B3N:D:405,valid,ic50,=,160,uM,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:A:405,valid,ic50,=,160,uM,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:406,valid,ic50,=,160,uM,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:405,valid,ic50,=,160,uM,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,K:D:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,6PHZ,,,,,,,
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,FKS:B:406,valid,ic50,=,350,uM,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,,,FKS:A:406,valid,ic50,=,350,uM,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,Family. Representative Entry is ,1UOZ,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SSG SGC SSG GLC:B:1,valid,,,,,S(C1C(O)C(O)C(S)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,1UP0,,,,,,,
,,,1PG:A:1386,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,ACT:A:1385,invalid,,,,,CC(=O)[O-],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,SO4:A:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UP3,,,,,,,
,,,1PG:A:388,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:389,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:390,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:391,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,MGL SGC BGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,SO4:A:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UP2,,,,,,,
,,,1PG:A:393,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,ACT:A:390,invalid,,,,,CC(=O)[O-],
,,,ACT:A:391,invalid,,,,,CC(=O)[O-],
,,,IFM BGC:A:381,valid,,,,,O(C1C(O)C[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,IFM BGC:A:383,valid,,,,,O(C1C(O)C[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4M51,,,,,,,
,,,FE2:A:503,Part of Protein,,,,,[Fe+2],
,,,BEZ:A:501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,EPE:A:504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5GLN,,,,,,,
,,,ACT:B:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:613,invalid,,,,,CC(=O)[O-],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP:E:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:F:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP:A:532,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,NA:B:411,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYS:B:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,5GLM,,,,,,,
,,,NA:A:410,invalid,,,,,[Na+],
,,,NA:B:410,invalid,,,,,[Na+],
,,,NA:B:411,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,ACT:B:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:613,invalid,,,,,CC(=O)[O-],
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:G:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:F:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,SIN:B:601,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,TRS:B:500,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:500,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5GLP,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ARA:B:404,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:403,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:403,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:404,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,5GLR,,,,,,,
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,FUB:A:404,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FUB:B:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARA:A:403,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,5GLQ,,,,,,,
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,FUB:B:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FUB:A:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,5GLO,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:B:401,invalid,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,ARA:B:404,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:404,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,FUB:B:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FUB:A:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4OHB,,,,,,,
,,,5HM:A:201,valid,,,,,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO,
,Family. Representative Entry is ,6OJB,,,,,,,
,,,NAG:A:418,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:419,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,X6X:A:420,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,Family. Representative Entry is ,4B9E,,,,,,,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAH:A:1311,invalid,,,,,C(C(=O)O)F,
,,,FAH:A:1309,invalid,,,,,C(C(=O)O)F,
,,,FAH:A:1301,valid,,,,,C(C(=O)O)F,
,,,GOL:A:1308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1310,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1Q5H,,,,,,,
,,,DUD:A:779,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:B:778,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:C:777,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6P2L,,,,,,,
,,,CL:A:1037,invalid,,,,,[Cl-],
,,,CL:A:1040,invalid,,,,,[Cl-],
,,,CL:A:1025,invalid,,,,,[Cl-],
,,,CL:A:1018,invalid,,,,,[Cl-],
,,,CL:A:1031,invalid,,,,,[Cl-],
,,,CL:A:1022,invalid,,,,,[Cl-],
,,,CL:A:1032,invalid,,,,,[Cl-],
,,,CL:A:1020,invalid,,,,,[Cl-],
,,,CL:A:1019,invalid,,,,,[Cl-],
,,,CL:A:1024,invalid,,,,,[Cl-],
,,,CL:A:1033,invalid,,,,,[Cl-],
,,,CL:A:1021,invalid,,,,,[Cl-],
,,,CL:A:1041,invalid,,,,,[Cl-],
,,,CL:A:1016,invalid,,,,,[Cl-],
,,,CL:A:1035,invalid,,,,,[Cl-],
,,,CL:A:1030,invalid,,,,,[Cl-],
,,,CL:A:1028,invalid,,,,,[Cl-],
,,,CL:A:1042,invalid,,,,,[Cl-],
,,,CL:A:1029,invalid,,,,,[Cl-],
,,,CL:A:1027,invalid,,,,,[Cl-],
,,,CL:A:1039,invalid,,,,,[Cl-],
,,,CL:A:1017,invalid,,,,,[Cl-],
,,,CL:A:1026,invalid,,,,,[Cl-],
,,,CL:A:1038,invalid,,,,,[Cl-],
,,,CL:A:1023,invalid,,,,,[Cl-],
,,,CL:A:1036,invalid,,,,,[Cl-],
,,,CL:A:1034,invalid,,,,,[Cl-],
,,,BGC BGC BGC XYS BGC XYS XYS:C:1,invalid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,,GLC BGC BGC XYS BGC XYS XYS GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,2B1N,,,,,,,
,,,LYS ALA SER VAL GLY:B:1,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C)CO)C(C)C,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,Family. Representative Entry is ,6R5R,,,,,,,
,,,MG:B:807,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,PGE:B:806,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:805,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:803,invalid,,,,,C(COCCO)O,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,PEG:B:802,invalid,,,,,C(COCCO)O,
,,,PEG:A:802,invalid,,,,,C(COCCO)O,
,,,PEG:B:804,invalid,,,,,C(COCCO)O,
,,,PEG:B:801,invalid,,,,,C(COCCO)O,
,,,PEG:A:801,invalid,,,,,C(COCCO)O,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1NF3,,,,,,,
,,,GNP:A:200,valid,Kd,=,50,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,Kd,=,50,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1PU7,,,,,,,
,,,39A:A:219,valid,Ki,=,0.8,mM,Cn1cnc2c1[n+](cnc2N)C,
,,,39A:B:220,valid,Ki,=,0.8,mM,Cn1cnc2c1[n+](cnc2N)C,
,,,BME:A:983,invalid,,,,,C(CS)O,
,,,BME:B:983,invalid,,,,,C(CS)O,
,,1PU8,,,,,,,
,,,BME:A:983,invalid,,,,,C(CS)O,
,,,BME:B:983,invalid,,,,,C(CS)O,
,,,EA1:A:219,valid,Ki,=,0.8,mM,c1cn2cnc3c(c2n1)nc[nH]3,
,,,EA1:B:220,valid,Ki,=,0.8,mM,c1cn2cnc3c(c2n1)nc[nH]3,
,Family. Representative Entry is ,2WKW,,,,,,,
,,,GOL:A:1325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1326,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1330,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1324,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1325,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1327,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W22:A:577,valid,,,,,CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O,
,,,W22:B:577,valid,,,,,CN1Cc2ccccc2N[C@H](C1=O)CC(=O)O,
,Family. Representative Entry is ,3MD0,,,,,,,
,,,GDP:A:335,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,UNX:A:336,invalid,,,,,*,
,,,UNX:A:337,invalid,,,,,*,
,,,UNX:A:338,invalid,,,,,*,
,,,UNX:A:339,invalid,,,,,*,
,Family. Representative Entry is ,1OF4,,,,,,,
,,,BMA BMA BMA BMA BMA:B:1,valid,Kd,=,2.9,uM,,
,,,CA:A:1181,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1179,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1180,invalid,,,,,C(C(CO)O)O,
,,1OH4,,,,,,,
,,,BMA BMA BMA BMA GLA BMA GLA:B:1,valid,Ka,=,5500,M^-1,O=C1C(=O)C(O)OC(CO)C1OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(COC4C(O)C(O)C(O)C(CO)O4)O3)C(CO)O2)C(CO)O1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:1186,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1184,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1185,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6XJM,,,,,,,
,,,C5J:A:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:D:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:B:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:C:301,valid,,,,,C(=O)(N)NC(=O)N,
,Family. Representative Entry is ,6XJE,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,TIU:B:301,valid,,,,,C(=O)(N)NC(=O)NC(=O)N,
,,,TIU:D:301,valid,,,,,C(=O)(N)NC(=O)NC(=O)N,
,,,TIU:A:301,valid,,,,,C(=O)(N)NC(=O)NC(=O)N,
,,,TIU:C:301,valid,,,,,C(=O)(N)NC(=O)NC(=O)N,
,,6XJ4,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,C5J:B:301,valid,,,,,C(=O)(N)NC(=O)N,
,Family. Representative Entry is ,1YQT,,,,,,,
,,,ADP:A:593,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:594,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:591,Part of Protein,,,,,[Mg+2],
,,,MG:A:592,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6D5M,,,,,,,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,FW4:S:1101,valid,,,,,Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)Cc4ccc(c(c4)Cl)F,
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5FPE,,,,,,,
,,,3TR:B:1386,valid,,,,,c1[nH]nc(n1)N,
,,,3TR:B:1385,valid,,,,,c1[nH]nc(n1)N,
,,,3TR:A:1385,valid,,,,,c1[nH]nc(n1)N,
,,,3TR:A:1386,valid,,,,,c1[nH]nc(n1)N,
,,5FPM,,,,,,,
,,,IWT:B:1385,valid,,,,,c1ccc(cc1)c2nnc(o2)S,
,,,IWT:A:1385,valid,,,,,c1ccc(cc1)c2nnc(o2)S,
,,3I33,,,,,,,
,,,ADP:A:388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:390,invalid,,,,,C(C(CO)O)O,
,,,MG:A:389,invalid,,,,,[Mg+2],
,,,PO4:A:387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FPD,,,,,,,
,,,PZA:A:1385,valid,,,,,c1cnc(cn1)C(=O)N,
,,,PZA:B:1385,valid,,,,,c1cnc(cn1)C(=O)N,
,Family. Representative Entry is ,6BVL,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,EBY:B:2001,valid,,,,,Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1NVV,,,,,,,
,,,GNP:Q:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:Q:1002,Part of Protein,,,,,[Mg+2],
,,,PO4:Q:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1047,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1048,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1049,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6KXL,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,PG4:B:506,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:505,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,NAG:B:510,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MXE:A:502,invalid,,,,,COCCO,
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PGE:B:507,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:506,invalid,,,,,C(COCCOCCO)O,
,,,MLI:A:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:505,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:504,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6KXN,,,,,,,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6KXM,,,,,,,
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4XBA,,,,,,,
,,,GMP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,5GP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,7JWF,,,,,,,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,EDO:D:712,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:C:709,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:D:709,invalid,,,,,C(CO)O,
,,,EDO:C:711,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:C:707,invalid,,,,,C(CO)O,
,,,EDO:C:705,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:D:707,invalid,,,,,C(CO)O,
,,,EDO:C:714,invalid,,,,,C(CO)O,
,,,EDO:D:711,invalid,,,,,C(CO)O,
,,,EDO:D:710,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:C:708,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:C:706,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:D:708,invalid,,,,,C(CO)O,
,,,EDO:C:713,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:C:715,invalid,,,,,C(CO)O,
,,,EDO:C:710,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:C:703,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:C:712,invalid,,,,,C(CO)O,
,,,EDO:C:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,IOD:A:738,invalid,,,,,[I-],
,,,IOD:B:731,invalid,,,,,[I-],
,,,IOD:D:743,invalid,,,,,[I-],
,,,IOD:A:739,invalid,,,,,[I-],
,,,IOD:D:724,invalid,,,,,[I-],
,,,IOD:A:718,invalid,,,,,[I-],
,,,IOD:A:729,invalid,,,,,[I-],
,,,IOD:C:735,invalid,,,,,[I-],
,,,IOD:A:722,invalid,,,,,[I-],
,,,IOD:A:720,invalid,,,,,[I-],
,,,IOD:A:732,invalid,,,,,[I-],
,,,IOD:D:739,invalid,,,,,[I-],
,,,IOD:B:719,invalid,,,,,[I-],
,,,IOD:C:734,invalid,,,,,[I-],
,,,IOD:C:718,invalid,,,,,[I-],
,,,IOD:C:728,invalid,,,,,[I-],
,,,IOD:D:728,invalid,,,,,[I-],
,,,IOD:D:740,invalid,,,,,[I-],
,,,IOD:A:740,invalid,,,,,[I-],
,,,IOD:A:730,invalid,,,,,[I-],
,,,IOD:C:719,invalid,,,,,[I-],
,,,IOD:C:730,invalid,,,,,[I-],
,,,IOD:C:742,invalid,,,,,[I-],
,,,IOD:A:717,invalid,,,,,[I-],
,,,IOD:C:725,invalid,,,,,[I-],
,,,IOD:A:716,invalid,,,,,[I-],
,,,IOD:D:729,invalid,,,,,[I-],
,,,IOD:B:720,invalid,,,,,[I-],
,,,IOD:A:742,invalid,,,,,[I-],
,,,IOD:A:743,invalid,,,,,[I-],
,,,IOD:B:726,invalid,,,,,[I-],
,,,IOD:C:737,invalid,,,,,[I-],
,,,IOD:A:731,invalid,,,,,[I-],
,,,IOD:B:734,invalid,,,,,[I-],
,,,IOD:D:718,invalid,,,,,[I-],
,,,IOD:C:733,invalid,,,,,[I-],
,,,IOD:A:715,invalid,,,,,[I-],
,,,IOD:C:731,invalid,,,,,[I-],
,,,IOD:D:726,invalid,,,,,[I-],
,,,IOD:A:733,invalid,,,,,[I-],
,,,IOD:C:716,invalid,,,,,[I-],
,,,IOD:B:728,invalid,,,,,[I-],
,,,IOD:A:726,invalid,,,,,[I-],
,,,IOD:D:719,invalid,,,,,[I-],
,,,IOD:C:727,invalid,,,,,[I-],
,,,IOD:D:732,invalid,,,,,[I-],
,,,IOD:D:714,invalid,,,,,[I-],
,,,IOD:A:734,invalid,,,,,[I-],
,,,IOD:A:741,invalid,,,,,[I-],
,,,IOD:B:724,invalid,,,,,[I-],
,,,IOD:D:738,invalid,,,,,[I-],
,,,IOD:A:727,invalid,,,,,[I-],
,,,IOD:D:731,invalid,,,,,[I-],
,,,IOD:A:714,invalid,,,,,[I-],
,,,IOD:D:727,invalid,,,,,[I-],
,,,IOD:A:728,invalid,,,,,[I-],
,,,IOD:A:744,invalid,,,,,[I-],
,,,IOD:A:735,invalid,,,,,[I-],
,,,IOD:B:721,invalid,,,,,[I-],
,,,IOD:D:730,invalid,,,,,[I-],
,,,IOD:C:741,invalid,,,,,[I-],
,,,IOD:C:729,invalid,,,,,[I-],
,,,IOD:D:715,invalid,,,,,[I-],
,,,IOD:D:725,invalid,,,,,[I-],
,,,IOD:C:736,invalid,,,,,[I-],
,,,IOD:B:738,invalid,,,,,[I-],
,,,IOD:A:725,invalid,,,,,[I-],
,,,IOD:D:713,invalid,,,,,[I-],
,,,IOD:B:735,invalid,,,,,[I-],
,,,IOD:B:730,invalid,,,,,[I-],
,,,IOD:A:737,invalid,,,,,[I-],
,,,IOD:C:724,invalid,,,,,[I-],
,,,IOD:B:736,invalid,,,,,[I-],
,,,IOD:B:740,invalid,,,,,[I-],
,,,IOD:D:741,invalid,,,,,[I-],
,,,IOD:C:722,invalid,,,,,[I-],
,,,IOD:B:742,invalid,,,,,[I-],
,,,IOD:D:716,invalid,,,,,[I-],
,,,IOD:D:737,invalid,,,,,[I-],
,,,IOD:D:723,invalid,,,,,[I-],
,,,IOD:B:722,invalid,,,,,[I-],
,,,IOD:A:721,invalid,,,,,[I-],
,,,IOD:A:736,invalid,,,,,[I-],
,,,IOD:B:739,invalid,,,,,[I-],
,,,IOD:C:721,invalid,,,,,[I-],
,,,IOD:B:718,invalid,,,,,[I-],
,,,IOD:C:720,invalid,,,,,[I-],
,,,IOD:D:742,invalid,,,,,[I-],
,,,IOD:D:734,invalid,,,,,[I-],
,,,IOD:B:727,invalid,,,,,[I-],
,,,IOD:C:723,invalid,,,,,[I-],
,,,IOD:D:721,invalid,,,,,[I-],
,,,IOD:C:732,invalid,,,,,[I-],
,,,IOD:B:716,invalid,,,,,[I-],
,,,IOD:C:738,invalid,,,,,[I-],
,,,IOD:D:717,invalid,,,,,[I-],
,,,IOD:B:741,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:729,invalid,,,,,[I-],
,,,IOD:D:722,invalid,,,,,[I-],
,,,IOD:C:726,invalid,,,,,[I-],
,,,IOD:B:717,invalid,,,,,[I-],
,,,IOD:A:723,invalid,,,,,[I-],
,,,IOD:D:744,invalid,,,,,[I-],
,,,IOD:D:735,invalid,,,,,[I-],
,,,IOD:B:723,invalid,,,,,[I-],
,,,IOD:C:739,invalid,,,,,[I-],
,,,IOD:B:732,invalid,,,,,[I-],
,,,IOD:A:719,invalid,,,,,[I-],
,,,IOD:D:720,invalid,,,,,[I-],
,,,IOD:B:733,invalid,,,,,[I-],
,,,IOD:B:737,invalid,,,,,[I-],
,,,IOD:D:736,invalid,,,,,[I-],
,,,IOD:B:743,invalid,,,,,[I-],
,,,IOD:D:733,invalid,,,,,[I-],
,,,IOD:A:724,invalid,,,,,[I-],
,,,IOD:C:740,invalid,,,,,[I-],
,,,IOD:C:717,invalid,,,,,[I-],
,,,IOD:B:725,invalid,,,,,[I-],
,,,CA:A:746,Part of Protein,,,,,[Ca+2],
,,,PG4:A:745,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:747,invalid,,,,,C(COCCOCCOCCO)O,
,,,MLA:D:745,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLT:D:701,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:749,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:A:701,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:C:702,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,CL:B:747,invalid,,,,,[Cl-],
,,,CL:B:746,invalid,,,,,[Cl-],
,,,CL:A:750,invalid,,,,,[Cl-],
,,,CL:A:748,invalid,,,,,[Cl-],
,,,CL:C:743,invalid,,,,,[Cl-],
,,,CL:B:748,invalid,,,,,[Cl-],
,,,CL:A:749,invalid,,,,,[Cl-],
,,,CL:C:744,invalid,,,,,[Cl-],
,,,CL:D:750,invalid,,,,,[Cl-],
,,,CL:B:745,invalid,,,,,[Cl-],
,,,EPE:D:748,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GAL GLA:H:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL GLA:G:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL GLA:F:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL GLA:E:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,ACT:B:744,invalid,,,,,CC(=O)[O-],
,,,ACT:A:747,invalid,,,,,CC(=O)[O-],
,,,ACT:C:701,invalid,,,,,CC(=O)[O-],
,,,MLI:D:746,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,7JW4,,,,,,,
,,,GLA:A:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,NI:A:702,invalid,,,,,[Ni+2],
,,,NI:B:702,invalid,,,,,[Ni+2],
,,,GAL:A:703,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2NGR,,,,,,,
,,,AF3:A:200,valid,,,,,F[Al](F)F,
,,,GDP:A:198,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2WA8,,,,,,,
,,,PHE ARG SER LYS GLY GLU GLU LEU PHE THR:B:1,valid,Kd,=,3.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CO)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,,PHE ARG SER LYS GLY GLU GLU LEU PHE THR:D:107,valid,Kd,=,3.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CO)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,3O2B,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,PHE ARG SER LYS GLY GLU GLU LEU PHE THR:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CO)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,,PHE ARG SER LYS GLY GLU GLU LEU PHE THR:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCC[NH3+])CO)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,,SO4:A:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6N9R,,,,,,,
,,,EDO:X:312,invalid,,,,,C(CO)O,
,,,EDO:X:308,invalid,,,,,C(CO)O,
,,,EDO:P:313,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:X:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:P:311,invalid,,,,,C(CO)O,
,,,EDO:X:313,invalid,,,,,C(CO)O,
,,,EDO:X:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:P:314,invalid,,,,,C(CO)O,
,,,EDO:P:312,invalid,,,,,C(CO)O,
,,,EDO:X:311,invalid,,,,,C(CO)O,
,,,EDO:X:307,invalid,,,,,C(CO)O,
,,,EDO:P:310,invalid,,,,,C(CO)O,
,,,ACT:X:306,invalid,,,,,CC(=O)[O-],
,,,ACT:P:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,CO:X:301,Part of Protein,,,,,[Co+2],
,,,CO:P:301,Part of Protein,,,,,[Co+2],
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,1PE:P:315,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:X:314,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:312,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SO4:P:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OHN:X:305,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:A:303,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:P:308,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FE:P:302,Part of Protein,,,,,[Fe+3],
,,,FE:X:302,Part of Protein,,,,,[Fe+3],
,,,PGE:A:313,invalid,,,,,C(COCCOCCO)O,
,,6N9Q,,,,,,,
,,,EDO:D:311,invalid,,,,,C(CO)O,
,,,EDO:P:306,invalid,,,,,C(CO)O,
,,,EDO:P:307,invalid,,,,,C(CO)O,
,,,EDO:P:305,invalid,,,,,C(CO)O,
,,,EDO:D:313,invalid,,,,,C(CO)O,
,,,EDO:P:311,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:312,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:P:309,invalid,,,,,C(CO)O,
,,,EDO:P:308,invalid,,,,,C(CO)O,
,,,EDO:P:310,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,FE:P:314,Part of Protein,,,,,[Fe+3],
,,,FE:D:316,Part of Protein,,,,,[Fe+3],
,,,1PE:P:312,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:315,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:314,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:P:313,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,HL4:P:304,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,HL4:D:305,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,PGE:P:316,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:319,invalid,,,,,C(COCCOCCO)O,
,,,PGE:P:317,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:320,invalid,,,,,C(COCCOCCO)O,
,,,ACT:P:315,invalid,,,,,CC(=O)[O-],
,,,ACT:D:317,invalid,,,,,CC(=O)[O-],
,,,ACT:D:318,invalid,,,,,CC(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO:P:301,Part of Protein,,,,,[Co+2],
,,,CO:D:301,Part of Protein,,,,,[Co+2],
,Family. Representative Entry is ,6JMY,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6JN0,,,,,,,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,API DAL C0O:B:1,valid,,,,,O=C([O-])C([NH3+])CCCC([NH3+])C(=O)NC(C(=O)NC(C(=O)[O-])CCCC([NH3+])C(=O)[O-])C,
,,6JN7,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,TAR:B:302,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:302,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:302,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,6KV1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6JN1,,,,,,,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,C0O DAL DAL:B:1,valid,,,,,O=C([O-])C([NH3+])CCCC([NH3+])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,6JMX,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,TAR:A:302,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5RHN,,,,,,,
,,,8BR:A:201,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1SVI,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3BL7,,,,,,,
,,,DD1:A:901,valid,ic50,=,7.62,nM,c1ccc(c(c1)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N)F,
,,3BL9,,,,,,,
,,,DD2:A:901,valid,ic50,=,43.94,nM,c1cc(c(c(c1)Cl)Cl)CN2CCC(CC2)COc3cccc4c3c(nc(n4)N)N,
,,5OSY,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,AJQ:B:401,valid,ic50,=,0.0447,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O,
,,,AJQ:A:400,valid,ic50,=,0.0447,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)O[P@@](=O)(OP(=O)(O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)S)O)O,
,Family. Representative Entry is ,4WGF,,,,,,,
,,,HX2:A:305,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:C:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:B:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:G:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:F:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:D:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:H:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,HX2:A:302,valid,,,,,C[C@H](CC[C@@H](C)O)O,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:G:303,invalid,,,,,[Cl-],
,,,SO4:G:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ROP:E:301,invalid,,,,,CCC(=O)N,
,,,ROP:H:301,invalid,,,,,CCC(=O)N,
,,,ROP:G:301,invalid,,,,,CCC(=O)N,
,,,ROP:B:301,invalid,,,,,CCC(=O)N,
,,,ROP:A:301,invalid,,,,,CCC(=O)N,
,,,ROP:D:301,invalid,,,,,CCC(=O)N,
,,,ROP:C:301,invalid,,,,,CCC(=O)N,
,,,ROP:F:301,invalid,,,,,CCC(=O)N,
,Family. Representative Entry is ,3N3T,,,,,,,
,,,C2E:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4JEM,,,,,,,
,,,C5P:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1BII,,,,,,,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:P:401,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,Family. Representative Entry is ,2HFK,,,,,,,
,,,DMS:A:709,invalid,,,,,CS(=O)C,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:B:707,invalid,,,,,CS(=O)C,
,,,DMS:B:708,invalid,,,,,CS(=O)C,
,,,E4H:A:801,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C,
,,,E4H:B:802,valid,,,,,CC[C@@H]1[C@@H](C=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)O1)C)O)C)C)C,
,,,MG:A:710,Part of Protein,,,,,[Mg+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6JQF,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:806,invalid,,,,,[Cl-],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,invalid,,,,,[Mg+2],
,,,NAG:A:803,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3KV8,,,,,,,
,,,FAH:A:140,valid,,,,,C(C(=O)O)F,
,,,FAH:A:141,valid,,,,,C(C(=O)O)F,
,,,FAH:A:142,valid,,,,,C(C(=O)O)F,
,,,FAH:A:143,valid,,,,,C(C(=O)O)F,
,,,FAH:B:140,valid,,,,,C(C(=O)O)F,
,,,FAH:B:141,valid,,,,,C(C(=O)O)F,
,,3KVI,,,,,,,
,,,FAH:A:140,valid,,,,,C(C(=O)O)F,
,,,FAH:A:141,valid,,,,,C(C(=O)O)F,
,,,FAH:A:142,valid,,,,,C(C(=O)O)F,
,,,FAH:B:140,valid,,,,,C(C(=O)O)F,
,,3KVZ,,,,,,,
,,,ENV:B:201,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O,
,,,ENV:E:202,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O,
,,3KW1,,,,,,,
,,,ENW:D:140,valid,,,,,CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O,
,,,ENW:F:140,valid,,,,,CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O,
,,3P2R,,,,,,,
,,,FAH:A:140,valid,,,,,C(C(=O)O)F,
,,,FAH:A:141,valid,,,,,C(C(=O)O)F,
,,,FAH:A:142,valid,,,,,C(C(=O)O)F,
,,,FAH:A:143,valid,,,,,C(C(=O)O)F,
,,,FAH:A:144,valid,,,,,C(C(=O)O)F,
,,,FAH:B:140,valid,,,,,C(C(=O)O)F,
,,,FAH:B:141,valid,,,,,C(C(=O)O)F,
,,3KVU,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:200,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:202,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3KUW,,,,,,,
,,,FAH:A:140,valid,,,,,C(C(=O)O)F,
,,,FAH:A:141,valid,,,,,C(C(=O)O)F,
,,,FAH:A:142,valid,,,,,C(C(=O)O)F,
,,,FAH:B:140,valid,,,,,C(C(=O)O)F,
,,3P3I,,,,,,,
,,,COA:B:140,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:140,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FAH:A:140,valid,,,,,C(C(=O)O)F,
,,,FAH:C:140,valid,,,,,C(C(=O)O)F,
,Family. Representative Entry is ,4SGA,,,,,,,
,,,ACE PRO ALA PRO PHE:P:5,valid,Ki,=,50,nM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C)CCC2)C)CCC1)Cc1ccccc1,
,,5SGA,,,,,,,
,,,ACE PRO ALA PRO TYR:P:5,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C)CCC2)C)CCC1)Cc1ccc(O)cc1,
,Family. Representative Entry is ,2W92,,,,,,,
,,,1PE:A:1808,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NGT:A:1809,valid,Kd,=,28,uM,CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,Family. Representative Entry is ,3ZVS,,,,,,,
,,,MLI:A:1161,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1162,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1163,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1161,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZN:A:1159,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1160,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1161,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1159,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1160,Part of Protein,,,,,[Zn+2],
,,4A3W,,,,,,,
,,,FLC:A:1161,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:1159,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1160,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1W1A,,,,,,,
,,,CD:1:1259,invalid,,,,,[Cd+2],
,,,CD:2:1259,invalid,,,,,[Cd+2],
,,,GOL:1:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:2:1260,invalid,,,,,C(C(CO)O)O,
,,,NDG:1:1261,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:2:1261,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,1QS8,,,,,,,
,,,ACT:A:328,invalid,,,,,CC(=O)[O-],
,,,ACT:B:328,invalid,,,,,CC(=O)[O-],
,,,IVA VAL VAL STA ALA STA:C:401,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:D:411,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,Family. Representative Entry is ,1I9Z,,,,,,,
,,,2IP:A:302,valid,,,,,[C@@H]1([C@H](C([C@@H]([C@H](C1OP(=O)(O)O)O)O)OP(=O)(O)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1R6B,,,,,,,
,,,ADP:X:780,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:X:781,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:X:782,Part of Protein,,,,,[Mg+2],
,,,MG:X:783,Part of Protein,,,,,[Mg+2],
,,,MG:X:784,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4JCA,,,,,,,
,,,CIT:A:202,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,RB:A:201,invalid,,,,,[Rb+],
,Family. Representative Entry is ,4ZUR,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,7XA:A:404,valid,ic50,=,0.068,uM,C(CCCN)CCC(=O)NO,
,,,7XA:B:404,valid,ic50,=,0.068,uM,C(CCCN)CCC(=O)NO,
,,,NH4:B:403,invalid,,,,,[NH4+],
,,,NH4:A:403,invalid,,,,,[NH4+],
,,3Q9C,,,,,,,
,,,K:A:342,Part of Protein,,,,,[K+],
,,,K:B:342,Part of Protein,,,,,[K+],
,,,K:C:342,Part of Protein,,,,,[K+],
,,,K:D:342,Part of Protein,,,,,[K+],
,,,K:E:342,Part of Protein,,,,,[K+],
,,,K:F:342,Part of Protein,,,,,[K+],
,,,K:G:342,Part of Protein,,,,,[K+],
,,,K:H:342,Part of Protein,,,,,[K+],
,,,K:I:342,Part of Protein,,,,,[K+],
,,,K:J:342,Part of Protein,,,,,[K+],
,,,K:K:342,Part of Protein,,,,,[K+],
,,,K:L:342,Part of Protein,,,,,[K+],
,,,NA:A:344,Part of Protein,,,,,[Na+],
,,,NA:B:344,Part of Protein,,,,,[Na+],
,,,NA:C:344,Part of Protein,,,,,[Na+],
,,,NA:D:344,Part of Protein,,,,,[Na+],
,,,NA:E:344,Part of Protein,,,,,[Na+],
,,,NA:F:344,Part of Protein,,,,,[Na+],
,,,NA:G:344,Part of Protein,,,,,[Na+],
,,,NA:H:344,Part of Protein,,,,,[Na+],
,,,NA:I:344,Part of Protein,,,,,[Na+],
,,,NA:J:344,Part of Protein,,,,,[Na+],
,,,NA:K:344,Part of Protein,,,,,[Na+],
,,,NA:L:344,Part of Protein,,,,,[Na+],
,,,Q9C:A:401,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:B:402,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:C:403,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:D:404,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:E:405,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:F:406,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:G:407,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:H:408,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:I:409,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:J:410,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:K:411,valid,,,,,CC(=O)NCCCCNCCCN,
,,,Q9C:L:412,valid,,,,,CC(=O)NCCCCNCCCN,
,,,ZN:A:343,Part of Protein,,,,,[Zn+2],
,,,ZN:B:343,Part of Protein,,,,,[Zn+2],
,,,ZN:C:343,Part of Protein,,,,,[Zn+2],
,,,ZN:D:343,Part of Protein,,,,,[Zn+2],
,,,ZN:E:343,Part of Protein,,,,,[Zn+2],
,,,ZN:F:343,Part of Protein,,,,,[Zn+2],
,,,ZN:G:343,Part of Protein,,,,,[Zn+2],
,,,ZN:H:343,Part of Protein,,,,,[Zn+2],
,,,ZN:I:343,Part of Protein,,,,,[Zn+2],
,,,ZN:J:343,Part of Protein,,,,,[Zn+2],
,,,ZN:K:343,Part of Protein,,,,,[Zn+2],
,,,ZN:L:343,Part of Protein,,,,,[Zn+2],
,,4ZUN,,,,,,,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,SS9:B:405,valid,ic50,=,26,uM,C(CCNCCCN)CCS,
,,,SS9:A:401,valid,ic50,=,26,uM,C(CCNCCCN)CCS,
,,4ZUM,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,FKS:A:404,valid,,,,,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,,,FKS:B:404,valid,,,,,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,3Q9B,,,,,,,
,,,B3N:A:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:D:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:E:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:F:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:G:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:H:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:I:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:J:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:K:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:L:407,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,DMS:A:342,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:413,invalid,,,,,CS(=O)C,
,,,DMS:A:415,invalid,,,,,CS(=O)C,
,,,DMS:A:417,invalid,,,,,CS(=O)C,
,,,DMS:A:419,invalid,,,,,CS(=O)C,
,,,DMS:A:421,invalid,,,,,CS(=O)C,
,,,DMS:A:423,invalid,,,,,CS(=O)C,
,,,DMS:B:342,invalid,,,,,CS(=O)C,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:B:411,invalid,,,,,CS(=O)C,
,,,DMS:B:413,invalid,,,,,CS(=O)C,
,,,DMS:B:415,invalid,,,,,CS(=O)C,
,,,DMS:B:417,invalid,,,,,CS(=O)C,
,,,DMS:B:419,invalid,,,,,CS(=O)C,
,,,DMS:B:423,invalid,,,,,CS(=O)C,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:C:411,invalid,,,,,CS(=O)C,
,,,DMS:C:415,invalid,,,,,CS(=O)C,
,,,DMS:C:419,invalid,,,,,CS(=O)C,
,,,DMS:C:421,invalid,,,,,CS(=O)C,
,,,DMS:C:423,invalid,,,,,CS(=O)C,
,,,DMS:D:342,invalid,,,,,CS(=O)C,
,,,DMS:D:343,invalid,,,,,CS(=O)C,
,,,DMS:D:403,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:D:411,invalid,,,,,CS(=O)C,
,,,DMS:D:413,invalid,,,,,CS(=O)C,
,,,DMS:D:415,invalid,,,,,CS(=O)C,
,,,DMS:D:417,invalid,,,,,CS(=O)C,
,,,DMS:D:419,invalid,,,,,CS(=O)C,
,,,DMS:D:421,invalid,,,,,CS(=O)C,
,,,DMS:D:423,invalid,,,,,CS(=O)C,
,,,DMS:E:342,invalid,,,,,CS(=O)C,
,,,DMS:E:403,invalid,,,,,CS(=O)C,
,,,DMS:E:405,invalid,,,,,CS(=O)C,
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:413,invalid,,,,,CS(=O)C,
,,,DMS:E:415,invalid,,,,,CS(=O)C,
,,,DMS:E:417,invalid,,,,,CS(=O)C,
,,,DMS:E:419,invalid,,,,,CS(=O)C,
,,,DMS:E:421,invalid,,,,,CS(=O)C,
,,,DMS:E:423,invalid,,,,,CS(=O)C,
,,,DMS:F:342,invalid,,,,,CS(=O)C,
,,,DMS:F:343,invalid,,,,,CS(=O)C,
,,,DMS:F:344,invalid,,,,,CS(=O)C,
,,,DMS:F:405,invalid,,,,,CS(=O)C,
,,,DMS:F:411,invalid,,,,,CS(=O)C,
,,,DMS:F:413,invalid,,,,,CS(=O)C,
,,,DMS:F:415,invalid,,,,,CS(=O)C,
,,,DMS:F:417,invalid,,,,,CS(=O)C,
,,,DMS:F:419,invalid,,,,,CS(=O)C,
,,,DMS:F:421,invalid,,,,,CS(=O)C,
,,,DMS:F:423,invalid,,,,,CS(=O)C,
,,,DMS:G:342,invalid,,,,,CS(=O)C,
,,,DMS:G:343,invalid,,,,,CS(=O)C,
,,,DMS:G:403,invalid,,,,,CS(=O)C,
,,,DMS:G:405,invalid,,,,,CS(=O)C,
,,,DMS:G:411,invalid,,,,,CS(=O)C,
,,,DMS:G:413,invalid,,,,,CS(=O)C,
,,,DMS:G:415,invalid,,,,,CS(=O)C,
,,,DMS:G:417,invalid,,,,,CS(=O)C,
,,,DMS:G:419,invalid,,,,,CS(=O)C,
,,,DMS:G:423,invalid,,,,,CS(=O)C,
,,,DMS:H:405,invalid,,,,,CS(=O)C,
,,,DMS:H:411,invalid,,,,,CS(=O)C,
,,,DMS:H:413,invalid,,,,,CS(=O)C,
,,,DMS:H:415,invalid,,,,,CS(=O)C,
,,,DMS:H:417,invalid,,,,,CS(=O)C,
,,,DMS:H:419,invalid,,,,,CS(=O)C,
,,,DMS:H:421,invalid,,,,,CS(=O)C,
,,,DMS:H:423,invalid,,,,,CS(=O)C,
,,,DMS:I:405,invalid,,,,,CS(=O)C,
,,,DMS:I:411,invalid,,,,,CS(=O)C,
,,,DMS:I:413,invalid,,,,,CS(=O)C,
,,,DMS:I:415,invalid,,,,,CS(=O)C,
,,,DMS:I:417,invalid,,,,,CS(=O)C,
,,,DMS:I:419,invalid,,,,,CS(=O)C,
,,,DMS:I:421,invalid,,,,,CS(=O)C,
,,,DMS:I:423,invalid,,,,,CS(=O)C,
,,,DMS:J:403,invalid,,,,,CS(=O)C,
,,,DMS:J:405,invalid,,,,,CS(=O)C,
,,,DMS:J:413,invalid,,,,,CS(=O)C,
,,,DMS:J:415,invalid,,,,,CS(=O)C,
,,,DMS:J:417,invalid,,,,,CS(=O)C,
,,,DMS:J:419,invalid,,,,,CS(=O)C,
,,,DMS:J:423,invalid,,,,,CS(=O)C,
,,,DMS:K:342,invalid,,,,,CS(=O)C,
,,,DMS:K:403,invalid,,,,,CS(=O)C,
,,,DMS:K:405,invalid,,,,,CS(=O)C,
,,,DMS:K:411,invalid,,,,,CS(=O)C,
,,,DMS:K:413,invalid,,,,,CS(=O)C,
,,,DMS:K:415,invalid,,,,,CS(=O)C,
,,,DMS:K:417,invalid,,,,,CS(=O)C,
,,,DMS:K:419,invalid,,,,,CS(=O)C,
,,,DMS:K:421,invalid,,,,,CS(=O)C,
,,,DMS:K:423,invalid,,,,,CS(=O)C,
,,,DMS:L:342,invalid,,,,,CS(=O)C,
,,,DMS:L:405,invalid,,,,,CS(=O)C,
,,,DMS:L:413,invalid,,,,,CS(=O)C,
,,,DMS:L:415,invalid,,,,,CS(=O)C,
,,,DMS:L:417,invalid,,,,,CS(=O)C,
,,,DMS:L:419,invalid,,,,,CS(=O)C,
,,,DMS:L:421,invalid,,,,,CS(=O)C,
,,,DMS:L:423,invalid,,,,,CS(=O)C,
,,,K:A:343,Part of Protein,,,,,[K+],
,,,K:A:346,Part of Protein,,,,,[K+],
,,,K:B:343,Part of Protein,,,,,[K+],
,,,K:B:346,Part of Protein,,,,,[K+],
,,,K:C:342,Part of Protein,,,,,[K+],
,,,K:C:345,Part of Protein,,,,,[K+],
,,,K:D:344,Part of Protein,,,,,[K+],
,,,K:D:347,Part of Protein,,,,,[K+],
,,,K:E:343,Part of Protein,,,,,[K+],
,,,K:E:346,Part of Protein,,,,,[K+],
,,,K:F:345,Part of Protein,,,,,[K+],
,,,K:F:348,Part of Protein,,,,,[K+],
,,,K:G:344,Part of Protein,,,,,[K+],
,,,K:G:347,Part of Protein,,,,,[K+],
,,,K:H:342,Part of Protein,,,,,[K+],
,,,K:H:345,Part of Protein,,,,,[K+],
,,,K:I:342,Part of Protein,,,,,[K+],
,,,K:J:342,Part of Protein,,,,,[K+],
,,,K:J:345,Part of Protein,,,,,[K+],
,,,K:K:343,Part of Protein,,,,,[K+],
,,,K:K:346,Part of Protein,,,,,[K+],
,,,K:L:343,Part of Protein,,,,,[K+],
,,,K:L:346,Part of Protein,,,,,[K+],
,,,NA:A:344,Part of Protein,,,,,[Na+],
,,,NA:B:344,Part of Protein,,,,,[Na+],
,,,NA:C:343,Part of Protein,,,,,[Na+],
,,,NA:D:345,Part of Protein,,,,,[Na+],
,,,NA:E:344,Part of Protein,,,,,[Na+],
,,,NA:F:346,Part of Protein,,,,,[Na+],
,,,NA:G:345,Part of Protein,,,,,[Na+],
,,,NA:H:343,Part of Protein,,,,,[Na+],
,,,NA:I:343,Part of Protein,,,,,[Na+],
,,,NA:J:343,Part of Protein,,,,,[Na+],
,,,NA:K:344,Part of Protein,,,,,[Na+],
,,,NA:L:344,Part of Protein,,,,,[Na+],
,,,ZN:A:345,Part of Protein,,,,,[Zn+2],
,,,ZN:B:345,Part of Protein,,,,,[Zn+2],
,,,ZN:C:344,Part of Protein,,,,,[Zn+2],
,,,ZN:D:346,Part of Protein,,,,,[Zn+2],
,,,ZN:E:345,Part of Protein,,,,,[Zn+2],
,,,ZN:F:347,Part of Protein,,,,,[Zn+2],
,,,ZN:G:346,Part of Protein,,,,,[Zn+2],
,,,ZN:H:344,Part of Protein,,,,,[Zn+2],
,,,ZN:I:344,Part of Protein,,,,,[Zn+2],
,,,ZN:J:344,Part of Protein,,,,,[Zn+2],
,,,ZN:K:345,Part of Protein,,,,,[Zn+2],
,,,ZN:L:345,Part of Protein,,,,,[Zn+2],
,,4ZUQ,,,,,,,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,6XA:B:403,valid,ic50,=,0.13,uM,C(CCC(=O)NO)CCN,
,,,6XA:A:403,valid,ic50,=,0.13,uM,C(CCC(=O)NO)CCN,
,,4ZUP,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,5XA:B:405,valid,ic50,=,0.17,uM,C(CCN)CC(=O)NO,
,,,5XA:A:405,valid,ic50,=,0.17,uM,C(CCN)CC(=O)NO,
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,3Q9E,,,,,,,
,,,K:A:342,Part of Protein,,,,,[K+],
,,,K:B:342,Part of Protein,,,,,[K+],
,,,K:C:342,Part of Protein,,,,,[K+],
,,,K:D:342,Part of Protein,,,,,[K+],
,,,K:E:342,Part of Protein,,,,,[K+],
,,,K:F:342,Part of Protein,,,,,[K+],
,,,K:G:342,Part of Protein,,,,,[K+],
,,,K:H:342,Part of Protein,,,,,[K+],
,,,K:I:342,Part of Protein,,,,,[K+],
,,,K:J:342,Part of Protein,,,,,[K+],
,,,K:K:342,Part of Protein,,,,,[K+],
,,,K:L:342,Part of Protein,,,,,[K+],
,,,NA:A:343,Part of Protein,,,,,[Na+],
,,,NA:B:343,Part of Protein,,,,,[Na+],
,,,NA:C:343,Part of Protein,,,,,[Na+],
,,,NA:D:343,Part of Protein,,,,,[Na+],
,,,NA:E:343,Part of Protein,,,,,[Na+],
,,,NA:F:343,Part of Protein,,,,,[Na+],
,,,NA:G:343,Part of Protein,,,,,[Na+],
,,,NA:H:343,Part of Protein,,,,,[Na+],
,,,NA:I:343,Part of Protein,,,,,[Na+],
,,,NA:J:343,Part of Protein,,,,,[Na+],
,,,NA:K:343,Part of Protein,,,,,[Na+],
,,,NA:L:343,Part of Protein,,,,,[Na+],
,,,SP5:A:401,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:B:402,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:C:403,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:D:404,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:E:405,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:F:406,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:G:407,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:H:408,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:I:409,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:J:410,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:K:411,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SP5:L:412,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,ZN:A:344,Part of Protein,,,,,[Zn+2],
,,,ZN:B:344,Part of Protein,,,,,[Zn+2],
,,,ZN:C:344,Part of Protein,,,,,[Zn+2],
,,,ZN:D:344,Part of Protein,,,,,[Zn+2],
,,,ZN:E:344,Part of Protein,,,,,[Zn+2],
,,,ZN:F:344,Part of Protein,,,,,[Zn+2],
,,,ZN:G:344,Part of Protein,,,,,[Zn+2],
,,,ZN:H:344,Part of Protein,,,,,[Zn+2],
,,,ZN:I:344,Part of Protein,,,,,[Zn+2],
,,,ZN:J:344,Part of Protein,,,,,[Zn+2],
,,,ZN:K:344,Part of Protein,,,,,[Zn+2],
,,,ZN:L:344,Part of Protein,,,,,[Zn+2],
,,4ZUO,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,XS6:A:404,valid,ic50,=,0.39,uM,C(CCC(=O)NO)CCNCCCN,
,,,XS6:B:404,valid,ic50,=,0.39,uM,C(CCC(=O)NO)CCNCCCN,
,,,NH4:B:403,invalid,,,,,[NH4+],
,,,NH4:A:403,invalid,,,,,[NH4+],
,Family. Representative Entry is ,4UAP,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,NGA:A:201,valid,Kd,=,0.9,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:201,valid,Kd,=,0.9,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3EBL,,,,,,,
,,,GA4:A:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:B:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:C:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:D:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:E:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:F:401,valid,Kd,=,0.5,uM,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,PO4:B:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ED1,,,,,,,
,,,GA3:A:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GA3:B:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GA3:C:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GA3:D:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GA3:E:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GA3:F:401,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,PO4:B:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4KBF,,,,,,,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FE1,,,,,,,
,,,ADP MG:A:386,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ADP MG:B:386,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ADP MG:C:386,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,CL:B:389,invalid,,,,,[Cl-],
,,,PGE:B:390,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:387,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4MLN,,,,,,,
,,,FE:B:202,Part of Protein,,,,,[Fe+3],
,,,FE:A:202,Part of Protein,,,,,[Fe+3],
,,,FE:B:201,Part of Protein,,,,,[Fe+3],
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,,,ODV:B:203,valid,,,,,C([C@H](O)P(=O)(O)O)N,
,,,ODV:A:203,valid,,,,,C([C@H](O)P(=O)(O)O)N,
,Family. Representative Entry is ,5YV5,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,ADP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6CE2,,,,,,,
,,,PE4:B:201,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:201,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SVR:B:202,valid,Kd,=,0.5,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,6N3K,,,,,,,
,,,K9V:A:401,valid,ic50,=,29,nM,c1ccc(cc1)CCCNC(=O)NC2CCC(CC2)OCc3c(cccc3F)F,
,,6N3Z,,,,,,,
,,,KC4:A:401,valid,ic50,=,259.3,nM,CNC(=O)c1ccc(cc1)OC2CCC(CC2)NC(=O)Nc3ccc(cc3)OC(F)(F)F,
,,6N5H,,,,,,,
,,,AUB:A:401,valid,ic50,=,357.9,nM,c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4,
,,6N5F,,,,,,,
,,,KJ1:A:401,valid,ic50,=,138.8,nM,CCCCCCCCC(=O)NCCCCCCCC(=O)N,
,Family. Representative Entry is ,1OHE,,,,,,,
,,,ACE ALA SEP PRO:B:0,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C)C)C(=O)N1C(C(=O)[O-])CCC1)([O-])[O-],
,Family. Representative Entry is ,3F5O,,,,,,,
,,,CL:A:151,invalid,,,,,[Cl-],
,,,CL:C:151,invalid,,,,,[Cl-],
,,,CL:D:151,invalid,,,,,[Cl-],
,,,CL:E:151,invalid,,,,,[Cl-],
,,,CL:F:151,invalid,,,,,[Cl-],
,,,CL:G:151,invalid,,,,,[Cl-],
,,,CL:H:151,invalid,,,,,[Cl-],
,,,P6G:B:1001,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1001,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:1001,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:G:1001,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,UOC COA:A:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:B:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:C:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:D:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:E:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:F:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:G:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,,,UOC COA:H:149,valid,Ki,=,3,uM,S(CC(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)CO1)[O-])[O-])(C)C,
,Family. Representative Entry is ,4WUJ,,,,,,,
,,,FMN:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:B:5202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6G1P,,,,,,,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,CIT:A:402,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:402,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6HH4,,,,,,,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,F2R:B:403,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O,
,,,F2R:A:403,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,6HGZ,,,,,,,
,,,AR6:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,6G1Q,,,,,,,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,6HH5,,,,,,,
,,,A3R:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,A3R:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,6HH3,,,,,,,
,,,A1R:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,6HOZ,,,,,,,
,,,R7I:A:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O,
,,,R7I:B:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=CNC2=O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,R5I:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O,
,,,R5I:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N=CNC2=O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6HM1,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,AO3:A:501,valid,Kd,=,0.91,uM,CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O,
,,6F8N,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,NAG NAG:D:1,valid,Kd,=,0.24,mM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,valid,Kd,=,0.24,mM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6BQK,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,Z1E:B:301,valid,ic50,=,1,nM,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,,Z1E:A:301,valid,ic50,=,1,nM,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C(F)F)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,4NWL,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,2R9:B:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,,2R9:A:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,6BQJ,,,,,,,
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,ACT:C:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:306,invalid,,,,,CC(=O)[O-],
,,,Z1B:C:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C,
,,,Z1B:B:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C,
,,,Z1B:A:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)Oc3cc(nc4c3ccc(c4)OC)c5ccccc5)NC(=O)OC(C)(C)C,
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,4NWK,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,2R8:A:301,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5ccc(cc5ccn4)OC)NC(=O)OC(C)(C)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7D5L,,,,,,,
,,,GXO:B:402,valid,ic50,=,4.8,nM,CC[C@@H]1C[C@@H](CC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C,
,,,GXO:A:402,valid,ic50,=,4.8,nM,CC[C@@H]1C[C@@H](CC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C,
,,,GXO:E:402,valid,ic50,=,4.8,nM,CC[C@@H]1C[C@@H](CC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C,
,,,GXO:D:402,valid,ic50,=,4.8,nM,CC[C@@H]1C[C@@H](CC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H]1NC(=O)OC(C)(C)C(F)(F)F)Oc4c5cc(c(cc5ccn4)OC)F)C(=O)NS(=O)(=O)C6(CC6)C)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6BVJ,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,EAS:B:2001,valid,,,,,c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N,
,Family. Representative Entry is ,3MTW,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:437,invalid,,,,,C(C(CO)O)O,
,,,M3R:A:430,valid,Ki,=,92,nM,[H]/N=C(N)/NCCC[C@@H](C(=O)O)N[P@@](=O)(C)O,
,,,PEG:A:438,invalid,,,,,C(COCCO)O,
,,,PEG:A:439,invalid,,,,,C(COCCO)O,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3K5X,,,,,,,
,,,P8D:A:401,valid,Ki,=,390,nM,C[C@H](N)[P@@](=O)(C[C@H](CC(=O)O)C(=O)O)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,3ITC,,,,,,,
,,,CIT:A:503,valid,Ki,=,25,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1WF3,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6HF4,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,BMA BMA BMA BMA GLA:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6D59,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FVJ:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5c([nH]nc5C)C)Cl,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1ST0,,,,,,,
,,,GTG:A:651,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GTG:B:652,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,YT3:A:701,invalid,,,,,[Y+3],
,,,YT3:A:702,invalid,,,,,[Y+3],
,,,YT3:A:703,invalid,,,,,[Y+3],
,,1XMM,,,,,,,
,,,G7M:B:1502,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,G7M:C:503,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,M7G:A:401,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:D:404,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,PO4:A:1601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ST4,,,,,,,
,,,GTA:A:451,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,GTA:B:452,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,YT3:A:501,invalid,,,,,[Y+3],
,,,YT3:A:502,invalid,,,,,[Y+3],
,,,YT3:A:503,invalid,,,,,[Y+3],
,Family. Representative Entry is ,3EC1,,,,,,,
,,,GDP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6KPM,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,FUC:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,6KPN,,,,,,,
,,,NAG FUC:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,6KPO,,,,,,,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,NAG ASN FUC:B:1,valid,,,,,O=C([O-])C(N)CC(=O)NC1C(NC(=O)C)C(O)C(O)C(COC2C(O)C(O)C(O)C(C)O2)O1,
,Family. Representative Entry is ,5AO7,,,,,,,
,,,NAG:A:1424,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AH0 NAG:A:1422,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OCC)C(NC(=O)C)C2OC1CO2)C,
,,,CA:A:1421,Part of Protein,,,,,[Ca+2],
,,,TRS:A:1425,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PEG:A:1426,invalid,,,,,C(COCCO)O,
,,5AO8,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:502,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NM9 NAG:B:1,valid,,,,,O=C(N)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(OC)C1NC(=O)C)C,
,Family. Representative Entry is ,3HBN,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1IZE,,,,,,,
,,,IVA VAL VAL STA ALA STA:B:2001,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,MAN:A:1001,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1YNS,,,,,,,
,,,HPO:A:1261,valid,,,,,CCCCCC(=O)CP(=O)(O)O,
,,,MG:A:1258,Part of Protein,,,,,[Mg+2],
,,,MG:A:1259,Part of Protein,,,,,[Mg+2],
,,,MG:A:1260,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6V9F,,,,,,,
,,,GOL:B:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,QTS:B:2001,valid,,,,,c1ccc2c(c1)nc(n2Cc3ccc(cc3)Cl)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4OX5,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DAL:A:307,valid,,,,,C[C@H](C(=O)O)N,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,TRS:A:305,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MPD:A:306,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2HV8,,,,,,,
,,,2ME:B:2,invalid,,,,,CCOC,
,,,GTP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:1,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4KFU,,,,,,,
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,invalid,,,,,[Mg+2],
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MG:B:306,invalid,,,,,[Mg+2],
,,,MG:B:305,invalid,,,,,[Mg+2],
,,,ACP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,FLC:B:303,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:304,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:304,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:303,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,4KFS,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG  FLC:B:302,invalid,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,FLC:B:303,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KFT,,,,,,,
,,,MG:D:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:306,invalid,,,,,[Mg+2],
,,,MG:B:305,invalid,,,,,[Mg+2],
,,,AGS:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,FLC:D:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:304,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC MG :B:303,invalid,,,,,,
,,,FLC MG :D:303,invalid,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6LL8,,,,,,,
,,,EPE:B:407,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:408,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:B:405,invalid,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,2PN:B:406,valid,,,,,N(P(=O)(O)O)P(=O)(O)O,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,F:B:410,valid,,,,,[F-],
,,,F:A:411,valid,,,,,[F-],
,,,MG  2PN:A:403,invalid,,,,,,
,Family. Representative Entry is ,6KKO,,,,,,,
,,,NA:B:2002,Part of Protein,,,,,[Na+],
,,,NA:C:1101,Part of Protein,,,,,[Na+],
,,,ADP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1MHC,,,,,,,
,,,FME TYR PHE ILE ASN ILE LEU THR LEU:C:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C(O)C)CC(C)C)C(CC)C)CC(=O)N)C(CC)C)Cc1ccccc1)Cc1ccc(O)cc1)C,
,,,FME TYR PHE ILE ASN ILE LEU THR LEU:F:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C(O)C)CC(C)C)C(CC)C)CC(=O)N)C(CC)C)Cc1ccccc1)Cc1ccc(O)cc1)C,
,,,NAG:D:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4ZL4,,,,,,,
,,,4PF:B:508,invalid,,,,,C[C@H](COC[C@@H](C)OCCOC)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,4PK:B:501,valid,Kd,=,13.8,nM,[H]/N=C(/N)NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2,
,,,4PK:A:501,valid,Kd,=,13.8,nM,[H]/N=C(/N)NOCC[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc1ccccc1)O)NC(=O)OCc2ccccc2,
,,6C4G,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EQG:A:504,valid,ic50,=,0.005,uM,[H]/N=C(/N)NOCC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)NCCc2ccccc2)O)NC(=O)OCc3ccccc3,
,Family. Representative Entry is ,6D5H,,,,,,,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,FV7:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)c5ccccc5Cl)Cl,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6JMN,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BV0:A:601,valid,Kd,=,0.085,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,Family. Representative Entry is ,6AEK,,,,,,,
,,,EDO:A:1020,invalid,,,,,C(CO)O,
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1022,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1021,invalid,,,,,C(CO)O,
,,,CL:A:1013,invalid,,,,,[Cl-],
,,,CL:A:1014,invalid,,,,,[Cl-],
,,,CL:A:1016,invalid,,,,,[Cl-],
,,,CL:A:1017,invalid,,,,,[Cl-],
,,,CL:A:1012,invalid,,,,,[Cl-],
,,,CL:A:1015,invalid,,,,,[Cl-],
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1010,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1009,Part of Protein,,,,,[Zn+2],
,,,CA:A:1011,Part of Protein,,,,,[Ca+2],
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,A   G  :A:1007,valid,,,,,,
,,6AEL,,,,,,,
,,,EDO:A:1020,invalid,,,,,C(CO)O,
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1022,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1024,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1021,invalid,,,,,C(CO)O,
,,,CL:A:1013,invalid,,,,,[Cl-],
,,,CL:A:1014,invalid,,,,,[Cl-],
,,,CL:A:1016,invalid,,,,,[Cl-],
,,,CL:A:1011,invalid,,,,,[Cl-],
,,,CL:A:1012,invalid,,,,,[Cl-],
,,,CL:A:1015,invalid,,,,,[Cl-],
,,,ZN:A:1008,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1009,Part of Protein,,,,,[Zn+2],
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,4BW:A:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,,,NAG NAG MAN:B:1,valid,,,,,,
,,,CA:A:1010,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2WW2,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:759,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:799,Part of Protein,,,,,[Na+],
,,,NA:A:800,Part of Protein,,,,,[Na+],
,,,NA:B:800,Part of Protein,,,,,[Na+],
,,,NA:C:800,Part of Protein,,,,,[Na+],
,,,SWA:B:900,valid,Ki,=,14,uM,C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O,
,Family. Representative Entry is ,6NCH,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RB5:B:301,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6NCI,,,,,,,
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,RB5:B:402,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)O,
,Family. Representative Entry is ,6D5V,,,,,,,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,FVY:S:1101,valid,,,,,Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F,
,Family. Representative Entry is ,6UAR,,,,,,,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,6UAT,,,,,,,
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,6UFL,,,,,,,
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,6UAS,,,,,,,
,,,GLC BGC BGC BGC BGC:B:1,valid,,,,,,
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,6UAU,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1UY4,,,,,,,
,,,CA:A:1147,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1152,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1146,Part of Protein,,,,,[Na+],
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,1UY3,,,,,,,
,,,CA:A:1147,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1151,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1146,Part of Protein,,,,,[Na+],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,1UY2,,,,,,,
,,,CA:A:1146,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1149,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1145,Part of Protein,,,,,[Na+],
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,6IJN,,,,,,,
,,,6MZ:A:401,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,6J4T,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,6IJP,,,,,,,
,,,IMP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,6J23,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,5GP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4DI8,,,,,,,
,,,0GY:A:403,valid,,,,,C(=C(C=C(C(=O)O)/O)/C(=O)O)C(=O)O,
,,,0GY:B:405,valid,,,,,C(=C(C=C(C(=O)O)/O)/C(=O)O)C(=O)O,
,,,0GZ:A:401,valid,,,,,C1=C(C=C(OC1=O)C(=O)O)C(=O)O,
,,,0GZ:B:401,valid,,,,,C1=C(C=C(OC1=O)C(=O)O)C(=O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,4DI9,,,,,,,
,,,0GY:A:401,valid,,,,,C(=C(C=C(C(=O)O)/O)/C(=O)O)C(=O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3I7V,,,,,,,
,,,ATP:A:135,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:135,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B4P:A:136,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,EDO:A:137,invalid,,,,,C(CO)O,
,,,EDO:A:138,invalid,,,,,C(CO)O,
,,,EDO:A:139,invalid,,,,,C(CO)O,
,,,EDO:B:138,invalid,,,,,C(CO)O,
,,,EDO:B:139,invalid,,,,,C(CO)O,
,,,EDO:B:140,invalid,,,,,C(CO)O,
,,,EDO:B:141,invalid,,,,,C(CO)O,
,,,GOL:B:136,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:137,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2QXL,,,,,,,
,,,ATP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:1005,Part of Protein,,,,,[K+],
,,,K:B:1006,Part of Protein,,,,,[K+],
,,,MG:A:1004,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3A23,,,,,,,
,,,1PG:A:962,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:963,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,EPE:B:951,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GAL:A:801,valid,Ka,=,610,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:851,valid,Ka,=,610,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:881,valid,Ka,=,610,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:921,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:925,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:927,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:924,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:934,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:971,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:974,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:975,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:972,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:973,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3A22,,,,,,,
,,,1PG:A:962,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:964,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:963,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:966,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,ARA:A:701,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:711,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:721,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:731,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:741,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:751,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:761,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:771,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:781,valid,Ka,=,150,M^-1,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,EPE:B:951,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:925,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:926,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:927,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:922,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:928,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:932,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:934,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:971,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:973,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:972,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2CDP,,,,,,,
,,,CA:A:1139,Part of Protein,,,,,[Ca+2],
,,,CA:A:1140,Part of Protein,,,,,[Ca+2],
,,,CA:B:1139,Part of Protein,,,,,[Ca+2],
,,,CA:B:1140,Part of Protein,,,,,[Ca+2],
,,,CA:C:1139,Part of Protein,,,,,[Ca+2],
,,,CA:C:1140,Part of Protein,,,,,[Ca+2],
,,,CA:D:1139,Part of Protein,,,,,[Ca+2],
,,,CA:D:1140,Part of Protein,,,,,[Ca+2],
,,,CL:A:1142,invalid,,,,,[Cl-],
,,,CL:A:1143,invalid,,,,,[Cl-],
,,,CL:A:1144,invalid,,,,,[Cl-],
,,,CL:B:1142,invalid,,,,,[Cl-],
,,,CL:B:1143,invalid,,,,,[Cl-],
,,,CL:B:1144,invalid,,,,,[Cl-],
,,,CL:C:1142,invalid,,,,,[Cl-],
,,,CL:C:1143,invalid,,,,,[Cl-],
,,,CL:D:1141,invalid,,,,,[Cl-],
,,,EDO:A:1141,invalid,,,,,C(CO)O,
,,,EDO:B:1141,invalid,,,,,C(CO)O,
,,,EDO:C:1141,invalid,,,,,C(CO)O,
,,,EDO:D:1142,invalid,,,,,C(CO)O,
,,,EDO:D:1143,invalid,,,,,C(CO)O,
,,,EDO:D:1144,invalid,,,,,C(CO)O,
,,,GAL AAL GAL AAL GAL AAL:H:1,valid,Ka,=,65000,M^-1,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:E:1,valid,Ka,=,65000,M^-1,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:G:1,valid,Ka,=,65000,M^-1,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,,,GAL AAL GAL AAL GAL AAL:F:1,valid,Ka,=,65000,M^-1,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(OC3C(O)C(OC4C(O)C5C(O)C(O4)CO5)C(O)C(CO)O3)C(O1)CO2,
,Family. Representative Entry is ,7AGO,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ALA:A:302,valid,,,,,C[C@@H](C(=O)O)N,
,,,ZGL:A:301,valid,,,,,C(CC(=O)O)[C@H](C(=O)N)N,
,Family. Representative Entry is ,4MPO,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:D:206,Part of Protein,,,,,[Mg+2],
,,,MG:H:203,Part of Protein,,,,,[Mg+2],
,,,MG:G:205,Part of Protein,,,,,[Mg+2],
,,,MG:H:205,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:F:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:F:204,Part of Protein,,,,,[Mg+2],
,,,MG:D:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:206,Part of Protein,,,,,[Mg+2],
,,,MG:H:204,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:G:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:G:204,Part of Protein,,,,,[Mg+2],
,,,MG:E:207,Part of Protein,,,,,[Mg+2],
,,,MG:E:206,Part of Protein,,,,,[Mg+2],
,,,MG:H:206,Part of Protein,,,,,[Mg+2],
,,,MG:D:205,Part of Protein,,,,,[Mg+2],
,,,MG:F:205,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:205,Part of Protein,,,,,[Mg+2],
,,,MG:E:205,Part of Protein,,,,,[Mg+2],
,,,AMP:E:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:F:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:H:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:G:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:H:207,invalid,,,,,[Cl-],
,,,CL:D:201,invalid,,,,,[Cl-],
,,,CL:E:202,invalid,,,,,[Cl-],
,,,PO4:H:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1G6O,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PEG PEG PEG PEG PEG:B:500,invalid,,,,,,
,Family. Representative Entry is ,1K8D,,,,,,,
,,,ILE LEU MET GLU HIS ILE HIS LYS LEU:P:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCCC[NH3+])Cc1nc[nH]c1)C(CC)C)Cc1nc[nH]c1)CCC(=O)[O-])C,
,Family. Representative Entry is ,5ZMY,,,,,,,
,,,TAR:H:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:F:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:E:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:G:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:401,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:H:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:E:400,Part of Protein,,,,,[Zn+2],
,,,ZN:D:400,Part of Protein,,,,,[Zn+2],
,,,ZN:G:400,Part of Protein,,,,,[Zn+2],
,,,ZN:C:400,Part of Protein,,,,,[Zn+2],
,,,ZN:F:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3VM7,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2G77,,,,,,,
,,,AF3:B:502,valid,,,,,F[Al](F)F,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6GXV,,,,,,,
,,,CA:B:509,Part of Protein,,,,,[Ca+2],
,,,CA:B:508,Part of Protein,,,,,[Ca+2],
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:512,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:510,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,GLC:A:511,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:512,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:507,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC AC1 GLC AC1:E:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,GLC AC1 GLC AC1:F:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,Family. Representative Entry is ,2BO9,,,,,,,
,,,ACN:D:305,invalid,,,,,CC(=O)C,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:904,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:402,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,VAL:A:903,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:C:401,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5L44,,,,,,,
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,K26:B:1005,valid,,,,,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,,,K26:A:1005,valid,,,,,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,Family. Representative Entry is ,6ORH,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,NDG FUC GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,6OR4,,,,,,,
,,,NAG GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,6ORF,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,NDG FUC GAL:C:1,valid,,,,,,
,,,NDG FUC GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,3BK2,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:947,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U5P:A:950,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,ZN:A:948,Part of Protein,,,,,[Zn+2],
,,,ZN:A:949,Part of Protein,,,,,[Zn+2],
,,3T3O,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,OMC OMU OMG OMG U:B:901,valid,,,,,P(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(N3C(=O)NC(=O)C=C3)O2)[O-])C(OC)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1C(OC)C(n2c3N=C(N)NC(=O)c3nc2)OC1COP(=O)(OC1C(OC)C(N2C(=O)NC(=O)C=C2)OC1COP(=O)(OC1C(OC)C(N2C(=O)N=C(N)C=C2)OC1COP(=O)([O-])[O-])[O-])[O-])[O-],
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6V9M,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,QTG:B:2001,valid,,,,,CCCNS(=O)(=O)c1ccc(cc1C)F,
,Family. Representative Entry is ,5A7V,,,,,,,
,,,BMA:B:1385,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:1385,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:B:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1389,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1389,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MAN:A:1485,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1386,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:1485,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:1386,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4LC1,,,,,,,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4JYB,,,,,,,
,,,GNP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,2QM7,,,,,,,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JYC,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6G1I,,,,,,,
,,,MN:B:409,Part of Protein,,,,,[Mn+2],
,,,MN:A:409,Part of Protein,,,,,[Mn+2],
,,,MLA:B:410,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:410,invalid,,,,,C(C(=O)O)C(=O)O,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(O)(CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,FRU BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)(CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,6G1G,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,4X2V,,,,,,,
,,,LEU GLU PHE GLN GLY:E:180,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCC(=O)N)Cc1ccccc1)CCC(=O)[O-])C([NH3+])CC(C)C,
,,,IMD:D:201,invalid,,,,,c1c[nH+]c[nH]1,
,,,UNK UNK UNK UNK UNK UNK UNK:F:1,invalid,,,,,,
,Family. Representative Entry is ,6PDQ,,,,,,,
,,,ACE ASP GLU VAL ASP:F:1,valid,,,,,,
,,,ACE ASP GLU VAL ASP:G:1,valid,,,,,,
,Family. Representative Entry is ,4B7J,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,G39:A:1470,valid,Ki,=,11.1,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:521,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6FYZ,,,,,,,
,,,EBE:A:2001,valid,Kd,=,0.039,uM,Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO,
,,,EBE:C:2001,valid,Kd,=,0.039,uM,Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO,
,,,EBE:B:2001,valid,Kd,=,0.039,uM,Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3ccccc3F)C(=O)NO,
,,,ZN:B:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2002,Part of Protein,,,,,[Zn+2],
,,,NA:B:2004,Part of Protein,,,,,[Na+],
,,,NA:A:2004,Part of Protein,,,,,[Na+],
,,,NA:C:2004,Part of Protein,,,,,[Na+],
,,2VQM,,,,,,,
,,,HA3:A:1410,valid,ic50,=,978,nM,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(=O)NO,
,,,K:A:1408,Part of Protein,,,,,[K+],
,,,K:A:1409,Part of Protein,,,,,[K+],
,,,ZN:A:1411,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1412,Part of Protein,,,,,[Zn+2],
,,2VQQ,,,,,,,
,,,K:A:1408,Part of Protein,,,,,[K+],
,,,K:A:1409,Part of Protein,,,,,[K+],
,,,K:B:1407,Part of Protein,,,,,[K+],
,,,K:B:1408,Part of Protein,,,,,[K+],
,,,SO4:A:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TFG:A:1410,valid,ic50,=,367,nM,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O,
,,,TFG:B:1409,valid,ic50,=,367,nM,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O,
,,,ZN:A:1411,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1410,Part of Protein,,,,,[Zn+2],
,,2VQJ,,,,,,,
,,,DIO:A:1408,invalid,,,,,C1COCCO1,
,,,K:A:1409,Part of Protein,,,,,[K+],
,,,K:A:1410,Part of Protein,,,,,[K+],
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TFG:A:1414,valid,,,,,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O,
,,,ZN:A:1415,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1416,Part of Protein,,,,,[Zn+2],
,,2VQO,,,,,,,
,,,K:A:1408,Part of Protein,,,,,[K+],
,,,K:A:1409,Part of Protein,,,,,[K+],
,,,K:B:1407,Part of Protein,,,,,[K+],
,,,K:B:1408,Part of Protein,,,,,[K+],
,,,SO4:A:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TFG:A:1410,valid,ic50,=,317,nM,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O,
,,,TFG:B:1409,valid,ic50,=,317,nM,c1ccc(cc1)c2cnc3n2CCN(C3)C(=O)c4ccc(s4)C(C(F)(F)F)(O)O,
,,,ZN:A:1411,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1410,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2XCM,,,,,,,
,,,ADP:A:1211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1212,Part of Protein,,,,,[Mg+2],
,,,MG:B:1212,Part of Protein,,,,,[Mg+2],
,,,ZN:E:1222,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1223,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1222,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1223,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1UZ4,,,,,,,
,,,GOL:A:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1435,invalid,,,,,C(C(CO)O)O,
,,,IFL:A:1432,valid,Ki,=,400,uM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,,SO4:A:1436,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6JZ2,,,,,,,
,,,MRD:A:702,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:704,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:702,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:705,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SJ5:B:701,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O,
,,,SJ5:A:701,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O,
,,6JZ5,,,,,,,
,,,BDP:A:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:B:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,6JZ7,,,,,,,
,,,CKU:A:701,valid,,,,,CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O,
,,,CKU:B:701,valid,,,,,CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O,
,,6JZ3,,,,,,,
,,,MRD:B:702,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,CN0:A:701,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O,
,,,CN0:B:701,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O,
,,6JZ4,,,,,,,
,,,EVA:A:701,valid,,,,,[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O,
,,,EVA:B:701,valid,,,,,[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O,
,,,MRD:A:702,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,6JZ6,,,,,,,
,,,CKX:A:701,valid,,,,,CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O,
,,,CKX:B:701,valid,,,,,CCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O,
,,6JZ8,,,,,,,
,,,GCB:A:701,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,GCB:B:701,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,Family. Representative Entry is ,5OFL,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,Ka,=,17500,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5OFK,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MPD:A:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PIN:A:407,invalid,,,,,C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O,
,,,XYP XYP XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4)OC3)OC2)OC1,
,Family. Representative Entry is ,4A38,,,,,,,
,,,BZS:A:1376,valid,,,,,c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O,
,,,ZN:A:576,Part of Protein,,,,,[Zn+2],
,,,ZN:B:753,Part of Protein,,,,,[Zn+2],
,,4A39,,,,,,,
,,,GEM:A:1377,valid,,,,,C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N,
,,,ZN:A:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1376,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6V9J,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,QTM:B:2001,valid,,,,,c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1FFU,,,,,,,
,,,CDP:B:1920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:1921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,FAD:C:1930,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:1931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:1909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:1910,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,1FFV,,,,,,,
,,,FAD:C:1922,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:1923,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:1909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:1910,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PCD:B:1920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,PCD:E:1921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,Family. Representative Entry is ,5ZRR,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9J3:A:401,valid,,,,,CCOC(=O)CCC(=O)O,
,,5ZRS,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,9J6:A:401,valid,,,,,CCOC(=O)CCCCC(=O)O,
,Family. Representative Entry is ,4OKS,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,2T9:A:701,valid,Kd,=,33,uM,COc1ccc(cc1Cn2cc(c3c2cc(cc3)c4cc(cc(c4)N)N)CC(=O)O)[N+](=O)[O-],
,,4OK5,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,2T2:A:1003,valid,ic50,=,31,uM,C#Cc1cccc(c1)Cn2cc(c3c2cccc3)CC(=O)O,
,,4OK3,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,2SY:A:701,valid,ic50,=,71,uM,c1ccc2c(c1)c(cn2Cc3cccc(c3)Cl)CC(=O)O,
,,4OK6,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,2T7:A:1003,valid,ic50,=,14,uM,COc1ccc(cc1Cn2cc(c3c2cccc3)CC(=O)O)[N+](=O)[O-],
,,4OJQ,,,,,,,
,,,2SX:A:701,valid,ic50,=,500,uM,c1cc2c(cc1Br)c(c[nH]2)CC(=O)O,
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2OUA,,,,,,,
,,,AES:A:9001,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,AES:B:9002,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,DIO:A:9003,invalid,,,,,C1COCCO1,
,,,DIO:A:9004,invalid,,,,,C1COCCO1,
,,,DIO:B:9005,invalid,,,,,C1COCCO1,
,,,GOL:A:9007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9006,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:9400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1IBR,,,,,,,
,,,GNP:A:250,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:251,Part of Protein,,,,,[Mg+2],
,,,MG:C:253,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6OPU,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,Family. Representative Entry is ,3EMY,,,,,,,
,,,IVA VAL VAL STA ALA STA:B:327,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,Family. Representative Entry is ,6K0P,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:2013,invalid,,,,,CC(=O)O,
,,,ACY:A:2014,invalid,,,,,CC(=O)O,
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,6K0N,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:2013,invalid,,,,,CC(=O)O,
,,,ACY:A:2014,invalid,,,,,CC(=O)O,
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,6K0S,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:2013,invalid,,,,,CC(=O)O,
,,,ACY:A:2014,invalid,,,,,CC(=O)O,
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,BGC GLC:D:1,valid,,,,,,
,,6K0Q,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:2013,invalid,,,,,CC(=O)O,
,,,ACY:A:2014,invalid,,,,,CC(=O)O,
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,BGC GLC:D:1,valid,,,,,,
,,6K0U,,,,,,,
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,6K0V,,,,,,,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC:K:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:B:2006,Part of Protein,,,,,[Ca+2],
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,CA:D:2007,Part of Protein,,,,,[Ca+2],
,,,CA:C:2007,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6D5J,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,FV4:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)Cl,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2F2H,,,,,,,
,,,GOL:A:3024,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3028,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3029,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3025,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3026,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3023,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3027,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3030,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3031,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3032,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3033,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3035,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:3022,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:3034,invalid,,,,,C(C(CO)O)O,
,,,MPO:B:3010,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:C:3011,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:3012,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:E:3013,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:F:3014,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,SO4:A:3008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XTG:A:3015,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:B:3016,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:C:3017,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:D:3018,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:E:3019,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:F:3020,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,,,XTG:F:3021,valid,Ki,=,2,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O,
,Family. Representative Entry is ,3MWL,,,,,,,
,,,8OX:B:209,valid,Kd,=,579,uM,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GXS,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,2GXQ,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3MWK,,,,,,,
,,,8OP:B:209,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NBF,,,,,,,
,,,8OD:A:500,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OD:A:600,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OD:B:500,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OD:B:600,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OD:C:600,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OD:D:600,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8OP:C:500,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8OP:C:501,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8OP:D:500,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3OU4,,,,,,,
,,,PHE ASN PHE PRO GLN ILE THR:C:303,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CC(=O)N)Cc2ccccc2)CCC1)CCC(=O)N)C(CC)C)C(O)C,
,Family. Representative Entry is ,2GDJ,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V1O,,,,,,,
,,,COA:A:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:1162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4KPM,,,,,,,
,,,NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:B:701,valid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,2XTN,,,,,,,
,,,GTP:A:1231,valid,Kd,=,40,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1232,Part of Protein,,,,,[Mg+2],
,,2XTM,,,,,,,
,,,GDP:A:1228,valid,Kd,=,630,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1227,valid,Kd,=,630,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:1230,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1231,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1232,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1229,Part of Protein,,,,,[Mg+2],
,,,MG:B:1228,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1ZY7,,,,,,,
,,,IHP:A:901,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:902,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6D55,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FWA:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)C)Cl,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4RZB,,,,,,,
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,NFQ:A:501,valid,Ki,=,30,uM,[H]/N=C/N[C@@H](CC(=O)O)C(=O)O,
,,,NFQ:B:501,valid,Ki,=,30,uM,[H]/N=C/N[C@@H](CC(=O)O)C(=O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2J1E,,,,,,,
,,,CA:A:1770,Part of Protein,,,,,[Ca+2],
,,,NDG GAL:B:1,valid,Ka,=,111,M^-1,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2J7M,,,,,,,
,,,CA:A:1768,Part of Protein,,,,,[Ca+2],
,,,NDG GAL FUC:B:1,valid,Ka,=,1200,M^-1,,
,,2J1A,,,,,,,
,,,CA:A:1769,Part of Protein,,,,,[Ca+2],
,,,GAL:A:1768,valid,Kd,=,980,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2QS8,,,,,,,
,,,MET:A:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:700,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3VX3,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1GRN,,,,,,,
,,,AF3:A:200,valid,,,,,F[Al](F)F,
,,,GDP:A:198,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OU1,,,,,,,
,,,LYS VAL LEU PHE LEU ASP GLY:P:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CC(=O)[O-])CC(C)C)Cc1ccccc1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C,
,Family. Representative Entry is ,2QYK,,,,,,,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,NPV:A:3,valid,ic50,=,3.3,uM,c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O,
,,,NPV:B:3,valid,ic50,=,3.3,uM,c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4NJS,,,,,,,
,,,G08:D:500,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N,
,,,G08:B:500,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N,
,,4NJT,,,,,,,
,,,017:D:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,4NJU,,,,,,,
,,,TPV:A:500,valid,,,,,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,,TPV:C:500,valid,,,,,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,4NJV,,,,,,,
,,,RIT:A:500,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,,RIT:D:500,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,Family. Representative Entry is ,6OPV,,,,,,,
,,,017:B:101,valid,Ki,=,12.8,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6OPW,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:101,valid,Ki,=,23.2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6OPX,,,,,,,
,,,017:B:101,valid,Ki,=,172.7,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6OPZ,,,,,,,
,,,017:A:101,valid,Ki,=,759.2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6OPY,,,,,,,
,,,017:A:101,valid,Ki,=,156.4,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,Family. Representative Entry is ,6P2O,,,,,,,
,,,GOL:A:823,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:821,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:822,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:821,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:824,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:823,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:822,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:817,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:817,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:826,invalid,,,,,[Cl-],
,,,CL:B:824,invalid,,,,,[Cl-],
,,,CL:B:826,invalid,,,,,[Cl-],
,,,CL:A:825,invalid,,,,,[Cl-],
,,,CL:B:825,invalid,,,,,[Cl-],
,,,CL:A:827,invalid,,,,,[Cl-],
,,,CL:B:827,invalid,,,,,[Cl-],
,,,BGC BGC BGC XYS BGC XYS XYS GAL GAL:E:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS GAL GAL:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS:F:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,6O5X,,,,,,,
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:C:101,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:C:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:C:103,invalid,,,,,[Cl-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,CL:C:104,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:C:105,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,NA:B:104,Part of Protein,,,,,[Na+],
,,,0Q4:B:101,valid,Ki,=,22,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,0Q4:D:101,valid,Ki,=,22,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,6O57,,,,,,,
,,,FMT:B:202,invalid,,,,,C(=O)O,
,,,FMT:A:101,invalid,,,,,C(=O)O,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,,2NC:B:201,valid,Ki,=,514,nM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,5T2Z,,,,,,,
,,,017:B:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6O5A,,,,,,,
,,,2NC:A:201,valid,Ki,=,514,nM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5Z9S,,,,,,,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6IKG,,,,,,,
,,,MET ALA ALA:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)[O-])C)C)C,
,,,MET ALA ALA:E:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)[O-])C)C)C,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2FGE,,,,,,,
,,,ALA ALA LEU THR ARG ALA:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CC(C)C)C(O)C,
,,,ALA ALA LEU THR ARG ALA:E:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CC(C)C)C(O)C,
,,,CL:A:997,invalid,,,,,[Cl-],
,,,CL:B:997,invalid,,,,,[Cl-],
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,MG:B:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,ZN:A:996,Part of Protein,,,,,[Zn+2],
,,,ZN:B:996,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6KQS,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,6KQT,,,,,,,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,PGE:A:703,invalid,,,,,C(COCCOCCO)O,
,,,NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1JWY,,,,,,,
,,,ADP:A:1203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BGC:A:1201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GDP:A:1205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1204,Part of Protein,,,,,[Mg+2],
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,THR ARG GLY LEU VAL PRO ARG GLY SER:A:777,invalid,,,,,,
,Family. Representative Entry is ,5NBP,,,,,,,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,4NZF,,,,,,,
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,ARB:F:502,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:B:504,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:G:502,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:C:506,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:E:505,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:A:502,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:D:504,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:H:503,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CIT:A:515,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:510,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:517,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:519,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:515,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:519,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4AK7,,,,,,,
,,,47N:A:1402,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,,,47N:B:1403,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,,,ACT:A:1406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1406,invalid,,,,,CC(=O)[O-],
,,,CA:A:1403,invalid,,,,,[Ca+2],
,,,CL:B:1404,invalid,,,,,[Cl-],
,,,EDO:A:1404,invalid,,,,,C(CO)O,
,,,EDO:A:1405,invalid,,,,,C(CO)O,
,,,MG:A:1407,invalid,,,,,[Mg+2],
,,,MG:B:1405,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6A0J,,,,,,,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,6A0L,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6A0K,,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:B:507,Part of Protein,,,,,[Ca+2],
,,,BGC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2IXE,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:D:2,Part of Protein,,,,,[Mg+2],
,,,PO4:A:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2IXF,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,MG:C:2,Part of Protein,,,,,[Mg+2],
,,,MG:D:2,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6J5Y,,,,,,,
,,,PYR:A:301,valid,,,,,CC(=O)C(=O)O,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6SJ3,,,,,,,
,,,3HB:A:501,valid,,,,,c1cc(cc(c1)O)C(=O)O,
,,,3HB:B:501,valid,,,,,c1cc(cc(c1)O)C(=O)O,
,,,ZN:A:505,invalid,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,invalid,,,,,[Zn+2],
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,MG:B:507,invalid,,,,,[Mg+2],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6SJ2,,,,,,,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,3HA:A:501,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:B:501,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6SJ4,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,LFK:A:501,valid,,,,,c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O,
,,,LFK:B:501,valid,,,,,c1cc(cc(c1)O)C(=O)Oc2cccc(c2)C(=O)O,
,Family. Representative Entry is ,4O8O,,,,,,,
,,,AHR:A:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,4O8P,,,,,,,
,,,PE3:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,K:A:408,invalid,,,,,[K+],
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,Family. Representative Entry is ,1GOT,,,,,,,
,,,GDP:G:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1FO0,,,,,,,
,,,ILE ASN PHE ASP PHE ASN THR ILE:P:1,valid,Kd,=,2.6,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)N)Cc1ccccc1)CC(=O)[O-])Cc1ccccc1)CC(=O)N)C(O)C)C(CC)C,
,Family. Representative Entry is ,2BFR,,,,,,,
,,,ADP:A:1193,valid,Kd,=,5.63,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1194,invalid,,,,,[Mg+2],
,,2BFQ,,,,,,,
,,,AR6:A:1193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,1QHG,,,,,,,
,,,ATP:A:726,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:725,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4P3H,,,,,,,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,25G:B:205,valid,ic50,=,1,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5,
,,,25G:A:201,valid,ic50,=,1,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5,
,,,25G:B:204,valid,ic50,=,1,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,4P2T,,,,,,,
,,,24Q:A:201,valid,ic50,=,3.7,uM,CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4,
,,,24Q:B:202,valid,ic50,=,3.7,uM,CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4,
,,,24Q:B:201,valid,ic50,=,3.7,uM,CS(=O)(=O)NC(=O)c1ccc(c(c1)Cc2ccccc2)NC(=O)c3cccc(n3)CC4CCCCC4,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,5V5E,,,,,,,
,,,8N4:B:202,valid,,,,,c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,8N4:A:201,valid,,,,,c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,8N4:B:201,valid,,,,,c1cc(cc(c1)OC(F)(F)F)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,5V5D,,,,,,,
,,,8OY:B:202,valid,,,,,c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,8OY:B:201,valid,,,,,c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,8OY:A:201,valid,,,,,c1ccc(cc1)Nc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,Family. Representative Entry is ,3QVI,,,,,,,
,,,ACT:A:336,invalid,,,,,CC(=O)[O-],
,,,EDO:A:330,invalid,,,,,C(CO)O,
,,,EDO:A:331,invalid,,,,,C(CO)O,
,,,EDO:A:332,invalid,,,,,C(CO)O,
,,,EDO:B:329,invalid,,,,,C(CO)O,
,,,EDO:C:331,invalid,,,,,C(CO)O,
,,,EDO:C:332,invalid,,,,,C(CO)O,
,,,EDO:C:333,invalid,,,,,C(CO)O,
,,,EDO:C:334,invalid,,,,,C(CO)O,
,,,EDO:D:330,invalid,,,,,C(CO)O,
,,,EDO:D:331,invalid,,,,,C(CO)O,
,,,EDO:D:332,invalid,,,,,C(CO)O,
,,,EDO:D:333,invalid,,,,,C(CO)O,
,,,K95:A:329,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,,K95:C:329,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,,K95:C:330,valid,,,,,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,,NA:D:329,invalid,,,,,[Na+],
,,,PG4:A:333,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:334,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:335,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:334,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG5:B:330,invalid,,,,,COCCOCCOCCOC,
,Family. Representative Entry is ,6D5L,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FW7:B:2001,valid,,,,,c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)F,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5IRC,,,,,,,
,,,MGF:D:203,invalid,,,,,F[Mg-](F)F,
,,,MGF:F:203,invalid,,,,,F[Mg-](F)F,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,CL:B:1501,invalid,,,,,[Cl-],
,,,CL:A:1502,invalid,,,,,[Cl-],
,,,CL:A:1501,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1A4R,,,,,,,
,,,GDP:A:200,valid,Kd,=,9.4,pM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GNH:B:400,valid,Kd,=,0.22,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,,2QRZ,,,,,,,
,,,GCP:A:3639,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:191,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:190,Part of Protein,,,,,[Mg+2],
,,,MG:B:190,Part of Protein,,,,,[Mg+2],
,,,SO4:A:3638,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1VC9,,,,,,,
,,,ATP:A:1001,valid,Kd,=,13,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1002,valid,Kd,=,13,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,1VC8,,,,,,,
,,,5FA:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,5FA:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6Z69,,,,,,,
,,,HEE:B:401,invalid,,,,,CCCCCC[P@](=O)(O)OCC,
,,,HEE:A:401,invalid,,,,,CCCCCC[P@](=O)(O)OCC,
,,,HEE:A:402,invalid,,,,,CCCCCC[P@](=O)(O)OCC,
,,,4MU:A:404,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)O,
,,,4MU:A:403,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1YNH,,,,,,,
,,,K:A:2001,Part of Protein,,,,,[K+],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,K:C:2003,Part of Protein,,,,,[K+],
,,,K:D:2004,Part of Protein,,,,,[K+],
,,,SUO:A:1001,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,
,,,SUO:B:1002,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,
,,,SUO:C:1003,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,
,,,SUO:D:1004,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN,
,,1YNI,,,,,,,
,,,K:A:2001,Part of Protein,,,,,[K+],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,K:C:2003,Part of Protein,,,,,[K+],
,,,K:D:2004,Part of Protein,,,,,[K+],
,,,SUG:A:1001,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N,
,,,SUG:B:1002,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N,
,,,SUG:C:1003,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N,
,,,SUG:D:1004,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N,
,Family. Representative Entry is ,2D2F,,,,,,,
,,,ADP:A:737,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6LJJ,,,,,,,
,,,DUP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:302,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6KX2,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1KMQ,,,,,,,
,,,DIO:A:301,invalid,,,,,C1COCCO1,
,,,DIO:A:302,invalid,,,,,C1COCCO1,
,,,GNP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1DPF,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1FTN,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,5A0F,,,,,,,
,,,SO4:A:1181,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDG:A:2501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6KX3,,,,,,,
,,,8ZO:A:202,invalid,,,,,C=CCOC(=O)[C@@H]1CS(=O)(=O)c2c1cccc2,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1A2B,,,,,,,
,,,GSP:A:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2OZ5,,,,,,,
,,,7XY:A:277,valid,Ki,=,0.33,uM,c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4,
,,,7XY:A:278,valid,Ki,=,0.33,uM,c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4,
,,,7XY:B:277,valid,Ki,=,0.33,uM,c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4,
,,,7XY:B:278,valid,Ki,=,0.33,uM,c1ccc(cc1)C(CCNS(=O)(=O)c2ccc(s2)CN(Cc3cccc(c3)Cl)C(=O)C(=O)O)c4ccccc4,
,Family. Representative Entry is ,2B8W,,,,,,,
,,,ALF 5GP:A:594,valid,,,,,P(=O)(O[Al-2](F)(F)(F)F)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-],
,,,ALF 5GP:B:594,valid,,,,,P(=O)(O[Al-2](F)(F)(F)F)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-],
,,,MG:A:595,Part of Protein,,,,,[Mg+2],
,,,MG:B:595,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4INI,,,,,,,
,,,1PE:A:202,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,PG5:B:202,invalid,,,,,COCCOCCOCCOC,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6TCW,,,,,,,
,,,CA:A:909,invalid,,,,,[Ca+2],
,,,CA:A:908,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN MAN MAN:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,6T8K,,,,,,,
,,,CA:A:511,Part of Protein,,,,,[Ca+2],
,,,CA:B:511,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,6T8L,,,,,,,
,,,CA:A:511,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6MGL,,,,,,,
,,,CL:A:820,invalid,,,,,[Cl-],
,,,CL:A:821,invalid,,,,,[Cl-],
,,,GOL:A:828,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:827,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:826,invalid,,,,,C(C(CO)O)O,
,,,PE3:A:825,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,MG:A:823,Part of Protein,,,,,[Mg+2],
,,,MG:A:822,Part of Protein,,,,,[Mg+2],
,,,MG:A:824,Part of Protein,,,,,[Mg+2],
,,,BGC BGC BGC XYS BGC XYS XYS GAL:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC XYS:C:1,valid,,,,,,
,,6MGK,,,,,,,
,,,PE3:A:817,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:D:818,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:822,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:C:815,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:821,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:816,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:C:816,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CL:B:823,invalid,,,,,[Cl-],
,,,CL:A:818,invalid,,,,,[Cl-],
,,,CL:D:819,invalid,,,,,[Cl-],
,,,CL:C:817,invalid,,,,,[Cl-],
,,,BGC BGC XYS XYS GAL:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC XYS XYS GAL:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC XYS XYS GAL:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,GOL:D:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:817,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:816,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:816,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:818,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:819,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:820,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:817,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:819,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:809,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC XYS BGC XYS XYS GAL:F:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,Family. Representative Entry is ,4MLM,,,,,,,
,,,FE:A:202,Part of Protein,,,,,[Fe+3],
,,,FE:B:202,Part of Protein,,,,,[Fe+3],
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,,,FE:B:203,Part of Protein,,,,,[Fe+3],
,,,NA:B:205,Part of Protein,,,,,[Na+],
,,,BOG:B:201,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,TLA:B:204,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5BXQ,,,,,,,
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,GDP:E:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1A2K,,,,,,,
,,,GDP:C:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:221,Part of Protein,,,,,[Mg+2],
,,,MG:D:221,Part of Protein,,,,,[Mg+2],
,,,MG:E:221,Part of Protein,,,,,[Mg+2],
,,,SO4:E:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3OUD,,,,,,,
,,,ARG VAL LEU PHE GLU ALA MET:P:3,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCNC(=[NH2+])N)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)[O-])C)C(=O)[O-])C,
,Family. Representative Entry is ,3DNJ,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,TYR LEU PHE VAL GLN ARG ASP SER LYS GLU:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CC(C)C)C([NH3+])Cc1ccc(O)cc1,
,,,TYR LEU PHE VAL GLN ARG ASP SER LYS GLU:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CC(C)C)C([NH3+])Cc1ccc(O)cc1,
,,3G1B,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,TRP LEU PHE VAL GLN ARG ASP SER LYS GLU:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C([NH3+])Cc1c2c([nH]c1)cccc2,
,,,TRP LEU PHE VAL GLN ARG ASP SER LYS GLU:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C([NH3+])Cc1c2c([nH]c1)cccc2,
,,3GW1,,,,,,,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,,PHE GLY GLY:C:1,valid,,,,,O=C(NCC=O)C([NH3+])Cc1ccccc1,
,,,PHE GLY GLY:D:1,valid,,,,,O=C(NCC=O)C([NH3+])Cc1ccccc1,
,,3G19,,,,,,,
,,,LEU LEU LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)CC(C)C,
,,3GQ1,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,TRP LEU PHE VAL GLN ARG ASP SER LYS GLU:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C([NH3+])Cc1c2c([nH]c1)cccc2,
,,,TRP LEU PHE VAL GLN ARG ASP SER LYS GLU:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)C([NH3+])Cc1c2c([nH]c1)cccc2,
,Family. Representative Entry is ,1JW0,,,,,,,
,,,GUA:B:999,valid,,,,,C(CC(=O)O)CC(=O)O,
,Family. Representative Entry is ,4JYM,,,,,,,
,,,KKN:B:301,valid,,,,,CC1=C2C=COC=C2OC1=O,
,,,KKN:A:301,valid,,,,,CC1=C2C=COC=C2OC1=O,
,Family. Representative Entry is ,2VZR,,,,,,,
,,,CA:A:1128,Part of Protein,,,,,[Ca+2],
,,,CA:A:1132,Part of Protein,,,,,[Ca+2],
,,,CA:B:1128,Part of Protein,,,,,[Ca+2],
,,,CA:B:1132,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1130,invalid,,,,,C(CO)O,
,,,EDO:A:1131,invalid,,,,,C(CO)O,
,,,EDO:B:1130,invalid,,,,,C(CO)O,
,,,EDO:B:1131,invalid,,,,,C(CO)O,
,,,GCU:A:1129,valid,Ka,=,19000,M^-1,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GCU:B:1129,valid,Ka,=,19000,M^-1,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,2VZQ,,,,,,,
,,,CA:A:1129,Part of Protein,,,,,[Ca+2],
,,,CA:A:1130,Part of Protein,,,,,[Ca+2],
,,,CA:B:1128,Part of Protein,,,,,[Ca+2],
,,,CA:B:1129,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1131,invalid,,,,,C(CO)O,
,,,EDO:A:1132,invalid,,,,,C(CO)O,
,,,EDO:B:1130,invalid,,,,,C(CO)O,
,,,EDO:B:1131,invalid,,,,,C(CO)O,
,,,EDO:B:1132,invalid,,,,,C(CO)O,
,,,NA:B:1134,invalid,,,,,[Na+],
,,,GTR AQA:D:1,valid,,,,,,
,,,GTR AQA:C:1,valid,,,,,,
,Family. Representative Entry is ,3ZEU,,,,,,,
,,,CL:A:1231,invalid,,,,,[Cl-],
,,,CL:B:1338,invalid,,,,,[Cl-],
,,,CL:E:1338,invalid,,,,,[Cl-],
,,,CL:B:1341,invalid,,,,,[Cl-],
,,,AGS:B:1342,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:1341,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,ADP:E:1342,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1343,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:E:1380,invalid,,,,,[Mg+2],
,,,MG:B:1340,Part of Protein,,,,,[Mg+2],
,,,MG:E:1340,Part of Protein,,,,,[Mg+2],
,,,MG:B:1380,invalid,,,,,[Mg+2],
,,,ZN:E:1339,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1339,Part of Protein,,,,,[Zn+2],
,,3ZET,,,,,,,
,,,CD:B:401,invalid,,,,,[Cd+2],
,,,AMP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,TAM:A:400,invalid,,,,,C(CO)C(CCO)(CCO)N,
,Family. Representative Entry is ,3K4Z,,,,,,,
,,,XGP:B:3,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:290,Part of Protein,,,,,[Mg+2],
,,,MG:A:291,Part of Protein,,,,,[Mg+2],
,,,NI:A:292,Part of Protein,,,,,[Ni+2],
,,,OXL:A:293,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,BGC XGP:B:2,valid,,,,,P(=O)(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)([O-])[O-],
,Family. Representative Entry is ,2EFX,,,,,,,
,,,BA:A:3003,Part of Protein,,,,,[Ba+2],
,,,BA:A:3004,Part of Protein,,,,,[Ba+2],
,,,BA:A:3008,Part of Protein,,,,,[Ba+2],
,,,BA:A:3017,Part of Protein,,,,,[Ba+2],
,,,BA:B:3002,Part of Protein,,,,,[Ba+2],
,,,BA:B:3007,Part of Protein,,,,,[Ba+2],
,,,BA:B:3009,Part of Protein,,,,,[Ba+2],
,,,BA:B:3021,Part of Protein,,,,,[Ba+2],
,,,BA:C:3001,Part of Protein,,,,,[Ba+2],
,,,BA:C:3005,Part of Protein,,,,,[Ba+2],
,,,BA:C:3010,Part of Protein,,,,,[Ba+2],
,,,BA:C:3012,Part of Protein,,,,,[Ba+2],
,,,BA:D:3013,Part of Protein,,,,,[Ba+2],
,,,BA:D:3015,Part of Protein,,,,,[Ba+2],
,,,BA:D:3016,Part of Protein,,,,,[Ba+2],
,,,BA:D:3020,Part of Protein,,,,,[Ba+2],
,,,BA:E:3011,Part of Protein,,,,,[Ba+2],
,,,BA:E:3014,Part of Protein,,,,,[Ba+2],
,,,BA:E:3019,Part of Protein,,,,,[Ba+2],
,,,BA:F:3006,Part of Protein,,,,,[Ba+2],
,,,BA:F:3018,Part of Protein,,,,,[Ba+2],
,,,BA:F:3022,Part of Protein,,,,,[Ba+2],
,,,NFA:A:2001,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,,NFA:B:2002,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,,NFA:C:2003,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,,NFA:D:2004,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,,NFA:E:2005,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,,NFA:F:2006,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N)N,
,,2EFU,,,,,,,
,,,BA:A:3003,Part of Protein,,,,,[Ba+2],
,,,BA:A:3004,Part of Protein,,,,,[Ba+2],
,,,BA:A:3009,Part of Protein,,,,,[Ba+2],
,,,BA:A:3020,Part of Protein,,,,,[Ba+2],
,,,BA:B:3002,Part of Protein,,,,,[Ba+2],
,,,BA:B:3010,Part of Protein,,,,,[Ba+2],
,,,BA:C:3001,Part of Protein,,,,,[Ba+2],
,,,BA:C:3005,Part of Protein,,,,,[Ba+2],
,,,BA:C:3011,Part of Protein,,,,,[Ba+2],
,,,BA:C:3013,Part of Protein,,,,,[Ba+2],
,,,BA:D:3014,Part of Protein,,,,,[Ba+2],
,,,BA:D:3015,Part of Protein,,,,,[Ba+2],
,,,BA:D:3017,Part of Protein,,,,,[Ba+2],
,,,BA:D:3022,Part of Protein,,,,,[Ba+2],
,,,BA:D:3023,Part of Protein,,,,,[Ba+2],
,,,BA:E:3012,Part of Protein,,,,,[Ba+2],
,,,BA:E:3018,Part of Protein,,,,,[Ba+2],
,,,BA:E:3019,Part of Protein,,,,,[Ba+2],
,,,BA:E:3024,Part of Protein,,,,,[Ba+2],
,,,BA:F:3006,Part of Protein,,,,,[Ba+2],
,,,BA:F:3007,Part of Protein,,,,,[Ba+2],
,,,BA:F:3008,Part of Protein,,,,,[Ba+2],
,,,BA:F:3016,Part of Protein,,,,,[Ba+2],
,,,BA:F:3021,Part of Protein,,,,,[Ba+2],
,,,BA:F:3025,Part of Protein,,,,,[Ba+2],
,,,PHE:A:2001,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:2002,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:2003,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:2004,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:E:2005,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:F:2006,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6BVK,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,EAV:B:2001,valid,,,,,Cc1ccc2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6CGZ,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,PG4:A:308,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:309,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,CO:C:301,Part of Protein,,,,,[Co+2],
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:B:302,Part of Protein,,,,,[Co+2],
,,,CO:C:302,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,HL6:C:304,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL6:B:305,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL6:A:307,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,1QO3,,,,,,,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:P:1,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,EDO:A:1278,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3V0H,,,,,,,
,,,I3P:A:1,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:A:2,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:3,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:4,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1NE6,,,,,,,
,,,SP1:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,SP1:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,1NE4,,,,,,,
,,,RP1:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N,
,,,RP1:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=S)(O4)O)O)N,
,Family. Representative Entry is ,6MD8,,,,,,,
,,,J84:B:301,valid,Ki,=,4200,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,J84:A:602,valid,Ki,=,4200,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,J84:A:601,valid,Ki,=,4200,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,2D7C,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1101,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:A:1,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6PKI,,,,,,,
,,,M6P:D:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:C:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:C:405,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,NDG:B:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,1PE:A:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1MWA,,,,,,,
,,,ACY:P:1001,invalid,,,,,CC(=O)O,
,,,GLU GLN TYR LYS PHE TYR SER VAL:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])Cc1ccccc1)Cc1ccc(O)cc1)CO)C(C)C,
,,,GLU GLN TYR LYS PHE TYR SER VAL:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])Cc1ccccc1)Cc1ccc(O)cc1)CO)C(C)C,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:901,invalid,,,,,C(C(CO)O)O,
,,,NAG:B:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6PC3,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,TS6:B:507,invalid,,,,,OP(=O)(O)S,
,,,TS6:A:509,invalid,,,,,OP(=O)(O)S,
,,,GSP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1CXZ,,,,,,,
,,,GSP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5I0F,,,,,,,
,,,CA:B:807,Part of Protein,,,,,[Ca+2],
,,,CA:B:810,Part of Protein,,,,,[Ca+2],
,,,CA:B:812,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,CA:B:808,Part of Protein,,,,,[Ca+2],
,,,CA:B:811,invalid,,,,,[Ca+2],
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
,,,CA:B:809,Part of Protein,,,,,[Ca+2],
,,,PGE:B:813,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC:C:1,invalid,,,,,,
,,5I0G,,,,,,,
,,,GLC GLC GLC GLC:A:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,SIN:B:805,invalid,,,,,C(CC(=O)O)C(=O)O,
,,5I0E,,,,,,,
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,MES:B:806,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2QEN,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:910,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2ZEY,,,,,,,
,,,BMA BMA BMA BMA BMA:C:1,valid,Kd,=,153,uM,,
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,CA:B:152,Part of Protein,,,,,[Ca+2],
,,,MAN BMA BMA BMA BMA:D:1,valid,,,,,,
,,3OEB,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,MAN BMA BMA BMA BMA:B:1,valid,Ka,=,6500,M^-1,,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3OEA,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC BGC BGC:C:1,valid,Ka,=,416300,M^-1,,
,,,GLC BGC BGC BGC BGC:D:1,valid,Ka,=,416300,M^-1,,
,,2ZEX,,,,,,,
,,,BGC BGC BGC BGC BGC:C:1,valid,Kd,=,406,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:D:1,valid,Kd,=,406,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6KJ0,,,,,,,
,,,XYP:A:920,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:920,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,BKR:A:919,valid,,,,,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O,
,,,BKR:B:919,valid,,,,,CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O,
,,,NAG:A:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN:F:1,invalid,,,,,,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,2PK4,,,,,,,
,,,ACA:A:100,valid,,,,,C(CCC(=O)O)CCN,
,Family. Representative Entry is ,6UB6,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,6UB3,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6UB4,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,MES:B:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,6UB5,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3K0T,,,,,,,
,,,BGC:A:127,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:127,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:127,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6ZIO,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6WGH,,,,,,,
,,,MG:A:201,invalid,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FLC:A:203,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6V9L,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,QTJ:B:2001,valid,,,,,c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2C3H,,,,,,,
,,,GLC:D:300,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:P:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:M:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:N:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:O:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:1097,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1098,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1099,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1096,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1097,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1096,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1097,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1098,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2DS8,,,,,,,
,,,ALA PRO ALA LEU ARG VAL VAL LYS:P:160,valid,,,,,,
,,,ALA PRO ALA LEU ARG VAL VAL LYS:Q:160,valid,,,,,,
,,,ZN:A:100,Part of Protein,,,,,[Zn+2],
,,,ZN:B:100,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4P8X,,,,,,,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG NAG NAG NAG NAG:B:1,valid,Kd,=,0.04,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,4P8V,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,valid,Kd,=,204,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4AY1,,,,,,,
,,,NAG NAG NAG NAG:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:X:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:V:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:S:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:P:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:T:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:W:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:U:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,4P5Y,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,NGA:A:201,valid,Kd,=,0.9,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5GM9,,,,,,,
,,,GLC BGC:B:1,valid,,,,,,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,5GLY,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,3MKK,,,,,,,
,,,GLC BGC:A:801,valid,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,5XC5,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5XC3,,,,,,,
,,,GDP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6SAO,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,BGC GLC AC1 GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3C)CC2CO)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(O)C(CO)=C2)C(C)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,CA:A:515,Part of Protein,,,,,[Ca+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5JR6,,,,,,,
,,,MN:B:802,Part of Protein,,,,,[Mn+2],
,,,MN:B:801,Part of Protein,,,,,[Mn+2],
,,,MN:A:802,Part of Protein,,,,,[Mn+2],
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,,,01B PRO PRO ALA NH2:F:1,valid,ic50,=,20.2,uM,O=C(C(O)C([NH3+])Cc1ccccc1)N1C(C(=O)N2C(C(=O)NC(C=O)C)CCC2)CCC1,
,,,PO4:B:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3RAB,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5ZRG,,,,,,,
,,,DCM:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,5ZRH,,,,,,,
,,,C5P:A:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5ZRO,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,523:B:201,valid,,,,,CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N,
,,,523:A:201,valid,,,,,CC1=C(NC(=O)[N+](=C1)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N,
,,5ZRL,,,,,,,
,,,CDP:B:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5ZRI,,,,,,,
,,,9L3:A:201,valid,,,,,Cc1c[n+](cnc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,5ZRK,,,,,,,
,,,DCP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3GJ0,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:217,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,5CIT,,,,,,,
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5CIW,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1QG2,,,,,,,
,,,GDP:A:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,5CJ2,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:305,invalid,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:H:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,MG:G:302,Part of Protein,,,,,[Mg+2],
,,,GDP:G:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:H:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4 MG :B:304,invalid,,,,,,
,,5CIQ,,,,,,,
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,3RAN,,,,,,,
,,,GDP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:707,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,1QG4,,,,,,,
,,,GDP:A:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,,MG:B:221,Part of Protein,,,,,[Mg+2],
,,1BYU,,,,,,,
,,,GDP:A:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,,MG:B:221,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6R5N,,,,,,,
,,,NOJ:B:802,valid,Ki,=,4.4,mM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:A:802,valid,Ki,=,4.4,mM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,PGE:B:801,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:801,invalid,,,,,C(COCCOCCO)O,
,,6R5V,,,,,,,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,XYP:D:2,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:1,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,PGE:B:801,invalid,,,,,C(COCCOCCO)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,PEG:B:802,invalid,,,,,C(COCCO)O,
,,,PEG:A:801,invalid,,,,,C(COCCO)O,
,,6R5T,,,,,,,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:806,Part of Protein,,,,,[Mg+2],
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,PEG:B:802,invalid,,,,,C(COCCO)O,
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,PEG:A:802,invalid,,,,,C(COCCO)O,
,,,PGE:A:805,invalid,,,,,C(COCCOCCO)O,
,,6R5U,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,BGC BGC BGC:D:1,invalid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,6R5O,,,,,,,
,,,BGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3UX8,,,,,,,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6D56,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,FVM:B:2001,valid,,,,,Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl,
,Family. Representative Entry is ,6MDS,,,,,,,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:909,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN NAG GAL NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,,,NAG BMA MAN MAN NAG GAL NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,,6MDV,,,,,,,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OCC2C(O)C(OC3C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(OC)O2)O1)C,
,,,NAG BMA MAN MAN MAN MAN MAN MAN:C:1,valid,,,,,,
,Family. Representative Entry is ,5JFT,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:302,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,1FIW,,,,,,,
,,,NAG NAG FUL BMA MAN:B:1,Part of Protein,,,,,,
,,,PBZ:A:305,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,,,PBZ:A:306,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,Family. Representative Entry is ,2DUA,,,,,,,
,,,CL:A:548,invalid,,,,,[Cl-],
,,,CL:A:549,invalid,,,,,[Cl-],
,,,MG:A:292,Part of Protein,,,,,[Mg+2],
,,,NA:A:314,Part of Protein,,,,,[Na+],
,,,OXL:A:291,valid,Ki,=,17,uM,C(=O)(C(=O)[O-])[O-],
,,,XYS:A:293,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,2HJP,,,,,,,
,,,CL:A:871,invalid,,,,,[Cl-],
,,,CL:A:875,invalid,,,,,[Cl-],
,,,MG:A:292,Part of Protein,,,,,[Mg+2],
,,,NA:A:617,Part of Protein,,,,,[Na+],
,,,PPR:A:291,valid,,,,,C(C(=O)C(=O)O)P(=O)(O)O,
,,,XYS:A:293,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,6BVI,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,EC4:B:2001,valid,,,,,c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1Y0Y,,,,,,,
,,,L2O VAL VAL ASP:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C([NH3+])CC(C)C)C(C)C)C(C)C)CC(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6JVW,,,,,,,
,,,PYR:A:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:401,valid,,,,,CC(=O)C(=O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
3.1.27.6,,,,,,,,,
,Family. Representative Entry is ,2EA1,,,,,,,
,,,GPG:A:250,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N,
3.6.4.4,,,,,,,,,
,Family. Representative Entry is ,3ZFD,,,,,,,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3ZFC,,,,,,,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,1GOJ,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
2.7.7.31,,,,,,,,,
,Family. Representative Entry is ,6GO4,,,,,,,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DCT:A:603,valid,,,,,C1C[C@@H](O[C@@H]1CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N,
,,4I2D,,,,,,,
,,,APC:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,4IQU,,,,,,,
,,,1FQ:A:602,valid,,,,,c1cc(ccc1C(=O)c2cc([nH]c2)/C=C/C(=O)/C=C(/C(=O)O)O)F,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,4I2I,,,,,,,
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:607,Part of Protein,,,,,[Zn+2],
,,,ZN:A:608,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:606,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,AP5:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:609,Part of Protein,,,,,[Mg+2],
3.2.2.9,,,,,,,,,
,Family. Representative Entry is ,4WKC,,,,,,,
,,,PG4:A:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,BIG:A:301,valid,Ki,=,0.21,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,3DF9,,,,,,,
,,,DF9:A:233,valid,,,,,c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,DF9:B:233,valid,,,,,c1ccc(cc1)CSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,4F1W,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,PGE:B:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:310,invalid,,,,,C(COCCO)O,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,PG4:A:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,,1Y6Q,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,TDI:A:233,valid,Ki,=,2,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,TDI:B:234,valid,Ki,=,2,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4YML,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4F0:A:301,valid,Ki,=,4.5,nM,CSC[C@@H]1CN(C[C@H]1O)Cc2c[nH]c3c2ncnc3N,
,,1NC3,,,,,,,
,,,FMC:A:233,valid,Ki,=,10,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:B:234,valid,Ki,=,10,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,1JYS,,,,,,,
,,,ADE:A:233,valid,Ki,=,300,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:234,valid,Ki,=,300,uM,c1[nH]c2c(n1)c(ncn2)N,
,,4F2W,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,TDI:B:301,valid,Ki,=,5,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,TDI:A:301,valid,Ki,=,5,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,1NC1,,,,,,,
,,,MTH:A:233,valid,Ki,=,0.75,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O,
,,,MTH:B:234,valid,Ki,=,0.75,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O,
,,1Z5N,,,,,,,
,,,ADE:A:234,valid,Ki,=,300,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:236,valid,Ki,=,300,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,SR1:A:233,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
,,,SR1:B:235,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O,
,,4F2P,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,2EL:B:301,valid,Ki,=,5,pM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO,
,,,2EL:A:301,valid,Ki,=,5,pM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCOCCO,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,1Y6R,,,,,,,
,,,MTM:A:233,valid,Ki,=,77,pM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:B:234,valid,Ki,=,77,pM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,4F3C,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,BIG:B:301,valid,Ki,=,1.5,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,BIG:A:301,valid,Ki,=,1.5,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4F3K,,,,,,,
,,,HCE:B:301,valid,Ki,=,69,pM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N,
,,,HCE:A:301,valid,Ki,=,69,pM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,1Z5O,,,,,,,
,,,MTA:A:5233,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:9233,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6DYV,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,OS3:A:306,valid,Kd,=,0.026,nM,C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,OS3:B:305,valid,Kd,=,0.026,nM,C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4WKP,,,,,,,
,,,3QA:B:301,valid,,,,,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO,
,,,3QA:A:301,valid,,,,,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO,
,,,3QA:D:301,valid,,,,,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO,
,,,3QA:C:301,valid,,,,,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CCSCCOCCO,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YNB,,,,,,,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,4EH:A:301,valid,Ki,=,0.043,nM,c1cnc(cn1)SC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,4FFS,,,,,,,
,,,BIG:A:301,valid,Kd,=,36,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,6DYY,,,,,,,
,,,OS6:B:305,valid,Kd,=,0.028,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,OS6:D:302,valid,Kd,=,0.028,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,OS6:C:303,valid,Kd,=,0.028,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,OS6:A:303,valid,Kd,=,0.028,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:B:304,invalid,,,,,[Mg+2],
,,3NM6,,,,,,,
,,,ADE:B:231,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,TRS:B:232,valid,,,,,C(C(CO)(CO)[NH3+])O,
,,4WKN,,,,,,,
,,,TDI:A:301,valid,Ki,=,0.19,nM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4OY3,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5KB3,,,,,,,
,,,4CT:A:301,valid,Kd,=,570,pM,c1cc(ccc1SC[C@H]2C[N@](C[C@@H]2O)Cc3c[nH]c4c3ncnc4N)Cl,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4YO8,,,,,,,
,,,4EZ:A:301,valid,Ki,=,0.03,nM,CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO,
,,,4EZ:B:301,valid,Ki,=,0.03,nM,CCCCCCN(Cc1c[nH]c2c1ncnc2N)CO,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4P54,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,MTA:A:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3NM5,,,,,,,
,,,FMC:A:501,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:B:502,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,4WKO,,,,,,,
,,,GMD:A:301,valid,Ki,=,0.34,nM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@H](C3)O)CSCCCCO,
,,6DYW,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,OS5:A:308,valid,Kd,=,0.036,nM,c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N,
,,,OS5:B:307,valid,Kd,=,0.036,nM,c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N,
,,,NH4:B:306,invalid,,,,,[NH4+],
,,6DYU,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,NH4:A:303,invalid,,,,,[NH4+],
,,,NH4:B:310,invalid,,,,,[NH4+],
,,,OS2:B:309,valid,Kd,=,0.055,nM,C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,OS2:A:302,valid,Kd,=,0.055,nM,C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4OJT,,,,,,,
,,,2WP:A:301,valid,,,,,C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N,
,,,ADE:A:302,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,4WKB,,,,,,,
,,,TDI:B:301,valid,Ki,=,2.7,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,TDI:A:301,valid,Ki,=,2.7,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,4X24,,,,,,,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,TDI:B:301,valid,Ki,=,166,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,TDI:A:301,valid,Ki,=,166,pM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,3DP9,,,,,,,
,,,BIG:A:301,valid,Kd,=,208,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,BIG:C:301,valid,Kd,=,208,pM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,IOD:C:300,invalid,,,,,[I-],
,Family. Representative Entry is ,4BMX,,,,,,,
,,,ADE:B:1232,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,TRS:B:1233,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1232,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4BMZ,,,,,,,
,,,MTA:A:1232,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:1232,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3BL6,,,,,,,
,,,FMC:A:229,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,Family. Representative Entry is ,6AYR,,,,,,,
,,,BIG:A:301,valid,Ki,=,4.1,nM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,BIG:C:301,valid,Ki,=,4.1,nM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,BIG:B:301,valid,Ki,=,4.1,nM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,BIG:D:301,valid,Ki,=,4.1,nM,CCCCSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,6AYQ,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,TDI:B:301,valid,Ki,=,6.5,nM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,TDI:A:301,valid,Ki,=,6.5,nM,CSC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,6AYO,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,BTB:B:305,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,C1Y:B:301,valid,Ki,=,5.1,nM,CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,C1Y:A:301,valid,Ki,=,5.1,nM,CCC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
6.-.-.-,,,,,,,,,
,Family. Representative Entry is ,4RLQ,,,,,,,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,3SK:A:1000,valid,,,,,Cc1ccccc1C(=O)O,
,,,3SK:B:1000,valid,,,,,Cc1ccccc1C(=O)O,
,,4RM2,,,,,,,
,,,3U4:B:1000,valid,,,,,c1ccc(c(c1)C(=O)O)F,
,,,3U4:A:1000,valid,,,,,c1ccc(c(c1)C(=O)O)F,
,,,3U4:A:1001,valid,,,,,c1ccc(c(c1)C(=O)O)F,
,,4RMN,,,,,,,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,C21:A:1000,valid,,,,,c1cc(sc1)C(=O)O,
,,,C21:A:1001,valid,,,,,c1cc(sc1)C(=O)O,
,,,C21:B:1000,valid,,,,,c1cc(sc1)C(=O)O,
,,,C21:B:1001,valid,,,,,c1cc(sc1)C(=O)O,
,,4RM3,,,,,,,
,,,FOA:A:1000,valid,,,,,c1cc(oc1)C(=O)O,
,,,FOA:B:1000,valid,,,,,c1cc(oc1)C(=O)O,
,,4RLF,,,,,,,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,4MA:A:1001,valid,,,,,Cc1ccc(cc1)C(=O)O,
,,,4MA:B:1001,valid,,,,,Cc1ccc(cc1)C(=O)O,
,,,3SK:A:1000,valid,,,,,Cc1ccccc1C(=O)O,
,,,3SK:B:1000,valid,,,,,Cc1ccccc1C(=O)O,
,,4ZJZ,,,,,,,
,,,BEZ:B:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1001,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,OOB:B:603,valid,,,,,c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,OOB:A:1000,valid,,,,,c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,Family. Representative Entry is ,1Y8Q,,,,,,,
,,,ATP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:641,Part of Protein,,,,,[Mg+2],
,,,MG:D:641,Part of Protein,,,,,[Mg+2],
,,,ZN:B:642,Part of Protein,,,,,[Zn+2],
,,,ZN:D:642,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6AKD,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,A5A:A:601,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,Family. Representative Entry is ,5WKR,,,,,,,
,,,NAR:A:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5WKS,,,,,,,
,,,NAR:A:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,3NIM,,,,,,,
,,,ARG ARG ALA ALA:X:1,valid,Kd,=,17.7,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2,Part of Protein,,,,,[Zn+2],
,,,ZN:F:3,Part of Protein,,,,,[Zn+2],
,,3NIL,,,,,,,
,,,ACT:F:195,invalid,,,,,CC(=O)[O-],
,,,ACT:F:196,invalid,,,,,CC(=O)[O-],
,,,ARG ASP ALA ALA:X:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CC(=O)[O-])C([NH3+])CCCNC(=[NH2+])N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2,Part of Protein,,,,,[Zn+2],
,,,ZN:F:3,Part of Protein,,,,,[Zn+2],
,,3NIJ,,,,,,,
,,,HIS ILE ALA ALA:B:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C([NH3+])Cc1nc[nH]c1)C(CC)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3NIH,,,,,,,
,,,ARG ILE ALA ALA ALA:B:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3NII,,,,,,,
,,,LYS ILE ALA ALA:B:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3NIK,,,,,,,
,,,ARG GLU ALA ALA:X:1,valid,Kd,=,358.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)[O-])C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2,Part of Protein,,,,,[Zn+2],
,,,ZN:F:3,Part of Protein,,,,,[Zn+2],
,,3NIN,,,,,,,
,,,ARG LEU GLY GLU SER:D:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C([NH3+])CCCNC(=[NH2+])N,
,,,ARG LEU GLY GLU SER:E:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C([NH3+])CCCNC(=[NH2+])N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5WM2,,,,,,,
,,,AMP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,SAL:A:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,5WM3,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,B5V:A:601,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,5WM7,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,5WM6,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,OOB:A:601,valid,,,,,c1ccc(cc1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,5WM5,,,,,,,
,,,B5Y:A:601,valid,,,,,Cc1ccc(c(c1)C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,5WM4,,,,,,,
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,B5M:A:601,valid,,,,,Cc1cccc(c1C(=O)OP(=O)(O)OC[C@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,Family. Representative Entry is ,3NYQ,,,,,,,
,,,AMP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:497,invalid,,,,,[Cl-],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,MCA:A:486,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:499,invalid,,,,,[Mg+2],
,,3NYR,,,,,,,
,,,AMP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:499,invalid,,,,,[Mg+2],
,,,MLC:A:486,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,Family. Representative Entry is ,6SIZ,,,,,,,
,,,ANP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,3HA:A:502,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:B:502,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,MG:B:508,Part of Protein,,,,,[Mg+2],
,,6SIX,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,ANP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FLC:A:504,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,6SIW,,,,,,,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,7PE:B:508,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,6SIY,,,,,,,
,,,3HA:A:508,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:A:501,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:B:507,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:B:502,valid,,,,,c1cc(c(c(c1)O)N)C(=O)O,
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PEG:B:508,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6VTB,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,invalid,,,,,[Mn+2],
,,,MN:A:404,invalid,,,,,[Mn+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6VT9,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6VTD,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,invalid,,,,,[Mn+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5COU,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:402,invalid,,,,,[Mn+2],
,,,MN:A:403,invalid,,,,,[Mn+2],
,Family. Representative Entry is ,1XDN,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2FAR,,,,,,,
,,,DTP:A:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FAQ,,,,,,,
,,,ATP:A:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2E5A,,,,,,,
,,,ACY:A:5001,invalid,,,,,CC(=O)O,
,,,LAQ:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,PO4:A:4001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:4002,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1S68,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
3.2.1.165,,,,,,,,,
,Family. Representative Entry is ,2X05,,,,,,,
,,,CD:A:1901,invalid,,,,,[Cd+2],
,,,CD:A:1902,invalid,,,,,[Cd+2],
,,,CD:A:1903,invalid,,,,,[Cd+2],
,,,CD:A:1904,invalid,,,,,[Cd+2],
,,,CD:A:1905,invalid,,,,,[Cd+2],
,,,CD:A:1906,invalid,,,,,[Cd+2],
,,,CD:A:1907,invalid,,,,,[Cd+2],
,,,CD:A:1908,invalid,,,,,[Cd+2],
,,,CD:A:1909,invalid,,,,,[Cd+2],
,,,CD:B:1901,invalid,,,,,[Cd+2],
,,,CD:B:1902,invalid,,,,,[Cd+2],
,,,CD:B:1903,invalid,,,,,[Cd+2],
,,,CD:B:1904,invalid,,,,,[Cd+2],
,,,CD:B:1905,invalid,,,,,[Cd+2],
,,,CD:B:1906,invalid,,,,,[Cd+2],
,,,CD:B:1907,invalid,,,,,[Cd+2],
,,,CD:B:1908,invalid,,,,,[Cd+2],
,,,CD:B:1909,invalid,,,,,[Cd+2],
,,,CD:B:1910,invalid,,,,,[Cd+2],
,,,X05:A:1900,valid,Ki,=,610,nM,C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N,
,,,X05:B:1900,valid,Ki,=,610,nM,C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N,
,,2VZU,,,,,,,
,,,ACT:B:1903,invalid,,,,,CC(=O)[O-],
,,,CD:A:1899,invalid,,,,,[Cd+2],
,,,CD:A:1900,invalid,,,,,[Cd+2],
,,,CD:B:1899,invalid,,,,,[Cd+2],
,,,CD:B:1900,invalid,,,,,[Cd+2],
,,,CD:B:1901,invalid,,,,,[Cd+2],
,,,CD:B:1902,invalid,,,,,[Cd+2],
,,,PNJ:A:1901,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N,
,,,PNJ:B:1904,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N,
,,2VZS,,,,,,,
,,,CD:A:1899,invalid,,,,,[Cd+2],
,,,CD:A:1900,invalid,,,,,[Cd+2],
,,,CD:A:1901,invalid,,,,,[Cd+2],
,,,CD:B:1899,invalid,,,,,[Cd+2],
,,,CD:B:1900,invalid,,,,,[Cd+2],
,,,CD:B:1901,invalid,,,,,[Cd+2],
,,,GCS:A:1902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,GCS:B:1903,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,GOL:A:1903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1904,invalid,,,,,C(C(CO)O)O,
,,2X09,,,,,,,
,,,CD:A:1901,invalid,,,,,[Cd+2],
,,,CD:A:1902,invalid,,,,,[Cd+2],
,,,CD:B:1901,invalid,,,,,[Cd+2],
,,,X09:A:1900,valid,Ki,=,175,uM,C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN,
,,,X09:B:1900,valid,Ki,=,175,uM,C1C[N@]2[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)CN,
,,2VZT,,,,,,,
,,,ACT:B:1903,invalid,,,,,CC(=O)[O-],
,,,CD:A:1899,invalid,,,,,[Cd+2],
,,,CD:A:1900,invalid,,,,,[Cd+2],
,,,CD:B:1899,invalid,,,,,[Cd+2],
,,,CD:B:1900,invalid,,,,,[Cd+2],
,,,CD:B:1901,invalid,,,,,[Cd+2],
,,,CD:B:1902,invalid,,,,,[Cd+2],
,,,PNJ:A:1901,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N,
,,,PNJ:B:1904,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N,
1.14.12.21,,,,,,,,,
,Family. Representative Entry is ,3PF7,,,,,,,
,,,CL:A:482,invalid,,,,,[Cl-],
,,,FE:A:1001,Part of Protein,,,,,[Fe+3],
,,,FE:A:1002,Part of Protein,,,,,[Fe+3],
,,,FE:B:1001,Part of Protein,,,,,[Fe+3],
,,,FE:B:1002,Part of Protein,,,,,[Fe+3],
,,,MLA:A:1004,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:1004,valid,,,,,C(C(=O)O)C(=O)O,
,,,OH:A:1003,invalid,,,,,[OH-],
,,,OH:B:1003,invalid,,,,,[OH-],
,,3PM5,,,,,,,
,,,BYC:A:1003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:B:1003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:C:1003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:D:1003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,CL:A:485,invalid,,,,,[Cl-],
,,,CL:A:486,invalid,,,,,[Cl-],
,,,CL:C:485,invalid,,,,,[Cl-],
,,,CL:D:483,invalid,,,,,[Cl-],
,,,FE:A:1001,Part of Protein,,,,,[Fe+3],
,,,FE:A:1002,Part of Protein,,,,,[Fe+3],
,,,FE:B:1001,Part of Protein,,,,,[Fe+3],
,,,FE:B:1002,Part of Protein,,,,,[Fe+3],
,,,FE:C:1001,Part of Protein,,,,,[Fe+3],
,,,FE:C:1002,Part of Protein,,,,,[Fe+3],
,,,FE:D:1001,Part of Protein,,,,,[Fe+3],
,,,FE:D:1002,Part of Protein,,,,,[Fe+3],
,,,GOL:C:486,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:485,invalid,,,,,C(C(CO)O)O,
,,,PGE:D:486,invalid,,,,,C(COCCOCCO)O,
,,,PGO:A:487,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:482,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:483,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:484,invalid,,,,,C[C@@H](CO)O,
,,,SO4:A:482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:482,invalid,,,,,[O-]S(=O)(=O)[O-],
3.1.7.2,,,,,,,,,
,Family. Representative Entry is ,1VJ7,,,,,,,
,,,GDP:A:998,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1998,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GPX:B:1999,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N,
,,,MN:A:997,Part of Protein,,,,,[Mn+2],
,,,MN:B:1997,Part of Protein,,,,,[Mn+2],
4.4.1.15,,,,,,,,,
,Family. Representative Entry is ,4D9C,,,,,,,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:402,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,PMP:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,4D99,,,,,,,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,SER:A:402,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:B:402,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:C:402,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:D:402,valid,,,,,C([C@@H](C(=O)O)N)O,
,,4D9E,,,,,,,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,LCS:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,LCS:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,LCS:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,LCS:D:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,4D97,,,,,,,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,DSN:A:402,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:B:401,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:C:402,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:D:402,valid,,,,,C([C@H](C(=O)O)N)O,
,,4D96,,,,,,,
,,,5PA:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,BEN:A:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D9B,,,,,,,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,PMP:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
1.1.99.17,,,,,,,,,
,Family. Representative Entry is ,1CQ1,,,,,,,
,,,BGC:A:455,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:455,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:504,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:504,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,1C9U,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,PQQ:A:1004,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:1004,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
2.5.1.44,,,,,,,,,
,Family. Representative Entry is ,4XQC,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,13D:A:503,valid,,,,,C(CN)CN,
,,,13D:A:502,valid,,,,,C(CN)CN,
,,,1PS:B:502,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:504,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,4XRG,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AG2:A:502,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:502,valid,,,,,C(CCNC(=N)N)CN,
,,,PUT:B:503,valid,,,,,C(CCN)CN,
,,,PUT:A:503,valid,,,,,C(CCN)CN,
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,1PS:A:505,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:504,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,4XR4,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:512,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,1PS:B:507,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:509,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:508,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:506,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AG2:B:511,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:A:509,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:510,valid,,,,,C(CCNC(=N)N)CN,
,,4XQ9,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,4XQG,,,,,,,
,,,AG2:A:505,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:505,valid,,,,,C(CCNC(=N)N)CN,
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:509,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,1PS:B:510,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:503,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:504,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:504,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4PLP,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,4XQE,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AG2:A:506,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:A:505,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:505,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:504,valid,,,,,C(CCNC(=N)N)CN,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PS:A:507,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:504,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:506,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,4TVB,,,,,,,
,,,1PS:A:503,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,PUT:B:502,valid,,,,,C(CCN)CN,
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,37Z:A:502,valid,,,,,C(CCNCCCCN)CN,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.1.2.11,,,,,,,,,
,Family. Representative Entry is ,1GXS,,,,,,,
,,,BEZ:A:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:602,valid,,,,,c1ccc(cc1)C(=O)O,
,,,DKA:A:701,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:C:702,valid,,,,,CCCCCCCCCC(=O)O,
,,,NAG:B:1310,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1310,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUL NAG:F:1,Part of Protein,,,,,,
,,,NAG FUL NAG:E:1,Part of Protein,,,,,,
5.4.99.11,,,,,,,,,
,Family. Representative Entry is ,3GBE,,,,,,,
,,,EDO:A:8002,invalid,,,,,C(CO)O,
,,,EDO:A:8005,invalid,,,,,C(CO)O,
,,,EDO:A:8006,invalid,,,,,C(CO)O,
,,,EDO:A:8007,invalid,,,,,C(CO)O,
,,,EDO:A:8008,invalid,,,,,C(CO)O,
,,,EDO:A:8009,invalid,,,,,C(CO)O,
,,,EDO:A:8010,invalid,,,,,C(CO)O,
,,,EDO:A:8011,invalid,,,,,C(CO)O,
,,,FLC:A:9000,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NOJ:A:8000,valid,Ki,=,10,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,Family. Representative Entry is ,4HPH,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4HOZ,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,GLC:A:703,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
3.6.3.16,,,,,,,,,
,Family. Representative Entry is ,1IHU,,,,,,,
,,,ADP:A:590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:591,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:700,valid,,,,,F[Al](F)F,
,,,CD:A:594,invalid,,,,,[Cd+2],
,,,CD:A:595,invalid,,,,,[Cd+2],
,,,CD:A:596,invalid,,,,,[Cd+2],
,,,CD:A:600,invalid,,,,,[Cd+2],
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CL:A:597,invalid,,,,,[Cl-],
,,,CL:A:598,invalid,,,,,[Cl-],
,,,CL:A:599,invalid,,,,,[Cl-],
,,,MG:A:592,Part of Protein,,,,,[Mg+2],
,,,MG:A:593,Part of Protein,,,,,[Mg+2],
,,,TAS:A:701,invalid,,,,,O[As](O)O,
,,1II0,,,,,,,
,,,ADP:A:590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:591,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1591,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CD:A:594,invalid,,,,,[Cd+2],
,,,CD:A:595,invalid,,,,,[Cd+2],
,,,CD:A:596,invalid,,,,,[Cd+2],
,,,CD:A:600,invalid,,,,,[Cd+2],
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CD:A:605,invalid,,,,,[Cd+2],
,,,CD:B:1594,invalid,,,,,[Cd+2],
,,,CD:B:1595,invalid,,,,,[Cd+2],
,,,CD:B:1596,invalid,,,,,[Cd+2],
,,,CD:B:1601,invalid,,,,,[Cd+2],
,,,CD:B:1602,invalid,,,,,[Cd+2],
,,,CD:B:1603,invalid,,,,,[Cd+2],
,,,CD:B:1607,invalid,,,,,[Cd+2],
,,,CD:B:1608,invalid,,,,,[Cd+2],
,,,CL:A:4000,invalid,,,,,[Cl-],
,,,CL:A:597,invalid,,,,,[Cl-],
,,,CL:A:598,invalid,,,,,[Cl-],
,,,CL:B:1597,invalid,,,,,[Cl-],
,,,CL:B:1598,invalid,,,,,[Cl-],
,,,CL:B:1599,invalid,,,,,[Cl-],
,,,CL:B:4001,invalid,,,,,[Cl-],
,,,MG:A:592,Part of Protein,,,,,[Mg+2],
,,,MG:A:593,Part of Protein,,,,,[Mg+2],
,,,MG:B:1592,Part of Protein,,,,,[Mg+2],
,,,MG:B:1593,Part of Protein,,,,,[Mg+2],
,,,TAS:A:701,invalid,,,,,O[As](O)O,
,,,TAS:B:1701,invalid,,,,,O[As](O)O,
,,1F48,,,,,,,
,,,ADP:A:590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:591,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CD:A:600,invalid,,,,,[Cd+2],
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CD:A:605,invalid,,,,,[Cd+2],
,,,CL:A:597,invalid,,,,,[Cl-],
,,,CL:A:598,invalid,,,,,[Cl-],
,,,CL:A:599,invalid,,,,,[Cl-],
,,,MG:A:592,Part of Protein,,,,,[Mg+2],
,,,MG:A:593,Part of Protein,,,,,[Mg+2],
,,,SB:A:594,invalid,,,,,[Sb+3],
,,,SB:A:595,invalid,,,,,[Sb+3],
,,,SB:A:596,invalid,,,,,[Sb+3],
,,,SBO:A:701,invalid,,,,,O[Sb](O)O,
,Family. Representative Entry is ,2WOJ,,,,,,,
,,,ADP ALF:A:401,valid,,,,,,
,,,ADP ALF:B:401,valid,,,,,,
,,,ADP ALF:C:401,valid,,,,,,
,,,ADP ALF:D:401,valid,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1353,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1352,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3ZQ6,,,,,,,
,,,ADP ALF:A:401,valid,,,,,,
,,,ADP ALF:B:401,valid,,,,,,
,,,ADP ALF:C:401,valid,,,,,,
,,,ADP ALF:D:401,valid,,,,,,
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:C:404,Part of Protein,,,,,[K+],
,,,K:D:404,Part of Protein,,,,,[K+],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1323,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1322,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3ZS9,,,,,,,
,,,ADP ALF:A:401,valid,,,,,,
,,,ADP ALF:B:401,valid,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,ZN:B:1351,Part of Protein,,,,,[Zn+2],
2.7.2.1,,,,,,,,,
,Family. Representative Entry is ,1TUU,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:B:2853,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NH4:B:2852,invalid,,,,,[NH4+],
,,,PIS:B:2854,valid,,,,,OP(=O)(O)O[P@](=O)(O)[S-],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1G99,,,,,,,
,,,ADP:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.71,,,,,,,,,
,Family. Representative Entry is ,4BQS,,,,,,,
,,,ADP:A:1171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K2Q:A:1172,valid,Ki,=,62,uM,C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O,
,,,K2Q:B:1172,valid,Ki,=,62,uM,C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O,
,,,K2Q:C:1172,valid,Ki,=,62,uM,C1C=C[C@]2(C=C(C[C@H]([C@@H]2O)O1)C(=O)O)O,
,,1L4Y,,,,,,,
,,,ADP:A:180,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,CL:A:192,invalid,,,,,[Cl-],
,,,CL:A:193,invalid,,,,,[Cl-],
,,,CL:A:194,invalid,,,,,[Cl-],
,,,CL:A:195,invalid,,,,,[Cl-],
,,,MG:A:190,Part of Protein,,,,,[Mg+2],
,,2IYW,,,,,,,
,,,ATP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,2DFN,,,,,,,
,,,ADP:A:177,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1180,invalid,,,,,[Cl-],
,,,SKM:A:500,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,2IYZ,,,,,,,
,,,ADP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,S3P:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2IYV,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:202,invalid,,,,,[Cl-],
,,1L4U,,,,,,,
,,,ADP:A:180,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,CL:A:192,invalid,,,,,[Cl-],
,,,CL:A:193,invalid,,,,,[Cl-],
,,,CL:A:194,invalid,,,,,[Cl-],
,,,CL:A:195,invalid,,,,,[Cl-],
,,,CL:A:196,invalid,,,,,[Cl-],
,,,EPE:A:181,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:190,Part of Protein,,,,,[Mg+2],
,,,PT:A:189,invalid,,,,,[Pt+2],
,,2IYY,,,,,,,
,,,CL:A:214,invalid,,,,,[Cl-],
,,,CL:A:215,invalid,,,,,[Cl-],
,,,MG:A:211,Part of Protein,,,,,[Mg+2],
,,,MG:A:212,Part of Protein,,,,,[Mg+2],
,,,MG:A:213,Part of Protein,,,,,[Mg+2],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S3P:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IYX,,,,,,,
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:A:213,invalid,,,,,[Cl-],
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,MG:A:210,Part of Protein,,,,,[Mg+2],
,,,MG:A:211,Part of Protein,,,,,[Mg+2],
,,,SKM:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1WE2,,,,,,,
,,,ADP:A:177,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:179,invalid,,,,,[Cl-],
,,,CL:A:180,invalid,,,,,[Cl-],
,,,DHK:A:181,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,MG:A:178,Part of Protein,,,,,[Mg+2],
,,2IYQ,,,,,,,
,,,ADP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,SKM:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,TRS:A:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1U8A,,,,,,,
,,,ADP:A:180,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:190,invalid,,,,,[Cl-],
,,,CL:A:191,invalid,,,,,[Cl-],
,,,CL:A:192,invalid,,,,,[Cl-],
,,,SKM:A:181,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,2IYU,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:202,invalid,,,,,[Cl-],
,,2IYR,,,,,,,
,,,SKM:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:B:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,2G1K,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,SKM:A:401,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IYS,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,SKM:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,Family. Representative Entry is ,1ZUI,,,,,,,
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SKM:A:2001,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,3MUF,,,,,,,
,,,ADP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,S3P:A:201,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
3.1.3.3,,,,,,,,,
,Family. Representative Entry is ,4IJ6,,,,,,,
,,,SEP:B:301,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:A:301,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1L7N,,,,,,,
,,,AF3:A:219,valid,,,,,F[Al](F)F,
,,,AF3:B:719,valid,,,,,F[Al](F)F,
,,,ALF:A:220,valid,,,,,F[Al-](F)(F)F,
,,,ALF:B:720,valid,,,,,F[Al-](F)(F)F,
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,,MG:B:721,Part of Protein,,,,,[Mg+2],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1L7P,,,,,,,
,,,PO4:B:230,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:240,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SEP:A:770,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:B:270,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,4AP9,,,,,,,
,,,1PS:A:201,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:202,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:202,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:201,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:202,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:D:202,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,Family. Representative Entry is ,6HYY,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER:A:303,valid,,,,,C([C@@H](C(=O)O)N)O,
,,6HYJ,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,SEP:B:301,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:A:301,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SER:B:303,valid,,,,,C([C@@H](C(=O)O)N)O,
4.1.1.1,,,,,,,,,
,Family. Representative Entry is ,1QPB,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,PYM:A:602,valid,Kd,=,44,mM,CC(=O)C(=O)N,
,,,PYM:B:602,valid,Kd,=,44,mM,CC(=O)C(=O)N,
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2VK8,,,,,,,
,,,2OP:A:1566,invalid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:B:1566,invalid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:C:1566,invalid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:D:1566,invalid,,,,,C[C@@H](C(=O)O)O,
,,,MG:A:1565,Part of Protein,,,,,[Mg+2],
,,,MG:B:1565,Part of Protein,,,,,[Mg+2],
,,,MG:C:1565,Part of Protein,,,,,[Mg+2],
,,,MG:D:1565,Part of Protein,,,,,[Mg+2],
,,,TPP:A:1564,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1564,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1564,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:1564,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1PYD,,,,,,,
,,,MG:A:559,Part of Protein,,,,,[Mg+2],
,,,MG:B:559,Part of Protein,,,,,[Mg+2],
,,,TDP:A:557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2VK1,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,PYR:A:603,invalid,,,,,CC(=O)C(=O)O,
,,,PYR:B:603,invalid,,,,,CC(=O)C(=O)O,
,,,PYR:C:603,invalid,,,,,CC(=O)C(=O)O,
,,,PYR:D:603,invalid,,,,,CC(=O)C(=O)O,
,,,TPP PYR:A:600,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)n(Cc2c(N)nc(C)nc2)c(C(O)(C(=O)[O-])C)[s+]1)[O-],
,,,TPP PYR:B:600,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)n(Cc2c(N)nc(C)nc2)c(C(O)(C(=O)[O-])C)[s+]1)[O-],
,,,TPP PYR:C:600,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)n(Cc2c(N)nc(C)nc2)c(C(O)(C(=O)[O-])C)[s+]1)[O-],
,,,TPP PYR:D:600,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)n(Cc2c(N)nc(C)nc2)c(C(O)(C(=O)[O-])C)[s+]1)[O-],
,,1PVD,,,,,,,
,,,MG:A:558,Part of Protein,,,,,[Mg+2],
,,,MG:B:558,Part of Protein,,,,,[Mg+2],
,,,TPP:A:557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,1ZPD,,,,,,,
,,,CIT:A:610,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:610,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:610,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:610,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DPX:A:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)S)/C,
,,,DPX:B:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)S)/C,
,,,DPX:E:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)S)/C,
,,,DPX:F:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O)S)/C,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,2WVG,,,,,,,
,,,F:A:569,invalid,,,,,[F-],
,,,F:B:569,invalid,,,,,[F-],
,,,F:E:569,invalid,,,,,[F-],
,,,F:F:570,invalid,,,,,[F-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:569,Part of Protein,,,,,[Mg+2],
,,,TPU:A:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:B:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:E:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:F:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3OE1,,,,,,,
,,,GOL:D:569,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:570,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,TDL:A:611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDL:B:611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDL:C:611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDL:D:611,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2WVA,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:569,Part of Protein,,,,,[Mg+2],
,,,MG:V:601,Part of Protein,,,,,[Mg+2],
,,,MG:X:601,Part of Protein,,,,,[Mg+2],
,,,MG:Y:601,Part of Protein,,,,,[Mg+2],
,,,MG:Z:569,Part of Protein,,,,,[Mg+2],
,,,PYR:F:602,valid,,,,,CC(=O)C(=O)O,
,,,PYR:V:602,valid,,,,,CC(=O)C(=O)O,
,,,PYR:Z:602,valid,,,,,CC(=O)C(=O)O,
,,,TPU:A:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:B:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:E:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:F:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:V:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:X:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:Y:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPU:Z:600,valid,,,,,Cc1c(nnn1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,2VK4,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6EFG,,,,,,,
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2VJY,,,,,,,
,,,ALK:A:602,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:A:603,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:B:602,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:B:603,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:C:602,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:C:603,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:D:602,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALK:D:603,invalid,,,,,C[C@H](O)P(=O)(O)OC,
,,,ALU:A:604,invalid,,,,,CC(=O)[P@](=O)(O)OC,
,,,ALU:B:604,invalid,,,,,CC(=O)[P@](=O)(O)OC,
,,,ALU:C:604,invalid,,,,,CC(=O)[P@](=O)(O)OC,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
1.2.1.13,,,,,,,,,
,Family. Representative Entry is ,3B1J,,,,,,,
,,,CU:A:341,Part of Protein,,,,,[Cu+2],
,,,CU:B:341,Part of Protein,,,,,[Cu+2],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2D2I,,,,,,,
,,,NAP:A:1341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:O:3341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:4341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:Q:5341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:R:6341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:3339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:3340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:4339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:4340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:5339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:5340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:6339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:6340,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3B20,,,,,,,
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:3339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:3340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:4339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:4340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:5339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:5340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:6339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:6340,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3QV1,,,,,,,
,,,EDO:C:336,invalid,,,,,C(CO)O,
,,,NAD:A:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:334,invalid,,,,,C(COCCO)O,
,,,PEG:A:336,invalid,,,,,C(COCCO)O,
,,,PEG:C:334,invalid,,,,,C(COCCO)O,
,,,SO4:A:337,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1RM4,,,,,,,
,,,NDP:A:1335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:O:7335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PKR,,,,,,,
,,,NDP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:378,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:365,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:365,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:I:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:L:369,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:M:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:O:372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:P:373,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:Q:375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:R:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:375,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:377,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:378,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:379,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:374,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:376,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RM3,,,,,,,
,,,NDP:A:1335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:O:7335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RM5,,,,,,,
,,,NDP:A:1335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:O:7335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:7339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:902,invalid,,,,,[O-]S(=O)(=O)[O-],
5.1.1.3,,,,,,,,,
,Family. Representative Entry is ,2JFV,,,,,,,
,,,FLC:A:1271,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2JFQ,,,,,,,
,,,DGL:A:1267,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1267,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2DWU,,,,,,,
,,,DGL:A:278,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:278,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:C:278,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:279,invalid,,,,,C(C(CO)O)O,
,,,K:A:277,Part of Protein,,,,,[K+],
,,,K:B:277,Part of Protein,,,,,[K+],
,,,K:C:277,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,2VVT,,,,,,,
,,,DGL:A:1270,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1270,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,I24:A:1269,valid,ic50,=,5.8,uM,CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4,
,,,I24:B:1269,valid,ic50,=,5.8,uM,CCCCOc1nc(c2c(n1)n(cn2)Cc3c(cccc3F)F)NCCN4CCOCC4,
,,2JFO,,,,,,,
,,,DGL:B:1270,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,2JFP,,,,,,,
,,,CA:A:1271,invalid,,,,,[Ca+2],
,,,CA:B:1271,invalid,,,,,[Ca+2],
,,,DGL:A:1270,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1270,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2OHV,,,,,,,
,,,NHL:A:400,valid,Ki,=,16,nM,c1ccc2cc(ccc2c1)C[C@@H](C[C@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,1B74,,,,,,,
,,,DGN:A:538,valid,Ki,=,50,mM,C(CC(=O)N)[C@H](C(=O)O)N,
,Family. Representative Entry is ,1ZUW,,,,,,,
,,,DGL:A:1301,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:2301,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:C:3301,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2GZM,,,,,,,
,,,DGL:A:501,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:502,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:C:503,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:D:504,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2JFZ,,,,,,,
,,,003:A:1256,valid,Ki,=,5.8,uM,CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C,
,,,003:B:1256,valid,Ki,=,5.8,uM,CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5ccncc5)C(=O)N(C1=O)C,
,,,DGL:A:1257,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1257,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,4B1F,,,,,,,
,,,DGL:A:1257,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,KRH:A:1256,valid,,,,,CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C,
,,,KRH:B:1257,valid,,,,,CC(C)CN1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(=O)N(C1=O)C,
,,2JFY,,,,,,,
,,,DGL:A:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,2W4I,,,,,,,
,,,DGL:A:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1255,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:E:1255,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:F:1255,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,VGA:B:1256,valid,ic50,=,0.5,uM,c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5,
,,,VGA:E:1256,valid,ic50,=,0.5,uM,c1ccc(cc1)C2=N[C@@H](C(=Nc3c2cccc3)N4CC(C4)O)c5cccs5,
,,2JFX,,,,,,,
,,,DGL:A:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:1256,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2JFN,,,,,,,
,,,GLU:A:1287,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,UMA:A:1286,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
3.5.1.98,,,,,,,,,
,Family. Representative Entry is ,4A69,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,I0P:C:501,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I0P:D:501,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6CED,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYA:A:1304,valid,Kd,=,1.5,uM,CN1C(=Nc2ccccc2C1=O)CCC(=O)O,
,,,UNX:A:1305,invalid,,,,,*,
,,6CEF,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYJ:A:1307,valid,ic50,=,180,uM,c1ccc2c(c1)nc(s2)CCC(=O)O,
,,,UNX:A:1304,invalid,,,,,*,
,,,UNX:A:1305,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,6CE8,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYV:A:1308,valid,ic50,=,390,uM,c1ccc2c(c1)nc(s2)CC(=O)O,
,,,UNX:A:1305,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,,UNX:A:1304,invalid,,,,,*,
,,,UNX:A:1307,invalid,,,,,*,
,,6CEC,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,UNX:A:1305,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,,UNX:A:1308,invalid,,,,,*,
,,,UNX:A:1304,invalid,,,,,*,
,,,UNX:A:1307,invalid,,,,,*,
,,,EY7:A:1309,valid,ic50,=,45,uM,COc1c(nc2ccccc2n1)CCC(=O)O,
,,6CE6,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYP:A:1307,valid,ic50,=,5.1,uM,c1c2c(cc3c1nc(s3)CCC(=O)O)sc(n2)CCC(=O)O,
,,,UNX:A:1304,invalid,,,,,*,
,,,UNX:A:1305,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,6CEA,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYY:A:1305,valid,,,,,c1ccc2c(c1)ccc(n2)CCC(=O)O,
,,,UNX:A:1304,invalid,,,,,*,
,,,UNX:A:1307,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,6CEE,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,EYM:A:1304,valid,ic50,=,65,uM,CN1c2ccccc2N=C(C1=O)CCC(=O)O,
,,,UNX:A:1305,invalid,,,,,*,
,,,UNX:A:1306,invalid,,,,,*,
,,,UNX:A:1308,invalid,,,,,*,
,,,UNX:A:1307,invalid,,,,,*,
,Family. Representative Entry is ,5EF7,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,5OJ:A:804,valid,Ki,=,1,nM,c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO,
,,,5OJ:B:804,valid,Ki,=,1,nM,c1ccc(cc1)N(CCO)C(=O)Cc2ccc(cc2)C(=O)NO,
,,5EEN,,,,,,,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,K:B:801,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:A:801,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,5OG:B:804,valid,,,,,c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO,
,,,5OG:A:804,valid,,,,,c1ccc(cc1)NS(=O)(=O)c2cccc(c2)/C=C/C(=O)NO,
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,5EFH,,,,,,,
,,,FKS:A:2004,valid,Ki,=,0.8,uM,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,,,FKS:D:2004,valid,Ki,=,0.8,uM,C(CCC(C(F)(F)F)(O)O)CCNCCCN,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2001,Part of Protein,,,,,[Zn+2],
,,,BR:D:2005,invalid,,,,,[Br-],
,,,BR:A:2007,invalid,,,,,[Br-],
,,,BR:A:2006,invalid,,,,,[Br-],
,,,BR:A:2005,invalid,,,,,[Br-],
,,,BR:D:2006,invalid,,,,,[Br-],
,,,BR:A:2008,invalid,,,,,[Br-],
,,,BR:D:2007,invalid,,,,,[Br-],
,,,GOL:A:2010,invalid,,,,,C(C(CO)O)O,
,,,K:D:2002,Part of Protein,,,,,[K+],
,,,K:A:2003,Part of Protein,,,,,[K+],
,,,K:A:2002,Part of Protein,,,,,[K+],
,,,K:D:2003,Part of Protein,,,,,[K+],
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,6Q0Z,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,P7V:A:804,valid,,,,,c1cc(ccc1c2nc(co2)C(=O)NO)Br,
,,,P7V:B:804,valid,,,,,c1cc(ccc1c2nc(co2)C(=O)NO)Br,
,,5EEK,,,,,,,
,,,IOD:A:2006,invalid,,,,,[I-],
,,,IOD:A:2037,invalid,,,,,[I-],
,,,IOD:A:2005,invalid,,,,,[I-],
,,,IOD:A:2019,invalid,,,,,[I-],
,,,IOD:A:2007,invalid,,,,,[I-],
,,,IOD:A:2014,invalid,,,,,[I-],
,,,IOD:A:2021,invalid,,,,,[I-],
,,,IOD:A:2017,invalid,,,,,[I-],
,,,IOD:A:2024,invalid,,,,,[I-],
,,,IOD:A:2020,invalid,,,,,[I-],
,,,IOD:A:2035,invalid,,,,,[I-],
,,,IOD:A:2008,invalid,,,,,[I-],
,,,IOD:A:2010,invalid,,,,,[I-],
,,,IOD:A:2022,invalid,,,,,[I-],
,,,IOD:A:2026,invalid,,,,,[I-],
,,,IOD:A:2009,invalid,,,,,[I-],
,,,IOD:A:2016,invalid,,,,,[I-],
,,,IOD:A:2036,invalid,,,,,[I-],
,,,IOD:A:2025,invalid,,,,,[I-],
,,,IOD:A:2012,invalid,,,,,[I-],
,,,IOD:A:2011,invalid,,,,,[I-],
,,,IOD:A:2018,invalid,,,,,[I-],
,,,IOD:A:2013,invalid,,,,,[I-],
,,,IOD:A:2023,invalid,,,,,[I-],
,,,IOD:A:2015,invalid,,,,,[I-],
,,,IOD:A:2027,invalid,,,,,[I-],
,,,GOL:A:2038,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:2040,invalid,,,,,C(CO)O,
,,,EDO:A:2039,invalid,,,,,C(CO)O,
,,,NH4:A:2032,invalid,,,,,[NH4+],
,,,NH4:A:2030,invalid,,,,,[NH4+],
,,,NH4:A:2031,invalid,,,,,[NH4+],
,,,NH4:A:2033,invalid,,,,,[NH4+],
,,,NH4:A:2034,invalid,,,,,[NH4+],
,,,NH4:A:2028,invalid,,,,,[NH4+],
,,,TSN:A:2004,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,CL:A:2029,invalid,,,,,[Cl-],
,,,K:A:2003,Part of Protein,,,,,[K+],
,,,K:A:2002,Part of Protein,,,,,[K+],
,,6PZS,,,,,,,
,,,NO3:A:806,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:807,invalid,,,,,[N+](=O)([O-])[O-],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,P7J:A:804,valid,,,,,CC1([C@@H]2CC[C@H]([C@H]1C2)CNCc3ccc(cc3)C(=O)NO)C,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,CL:A:805,invalid,,,,,[Cl-],
,,6PZU,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,A6I:B:804,valid,,,,,C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2,
,,,A6I:A:804,valid,,,,,C[C@@H](C(=O)NCc1ccc(cc1)C(=O)NO)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2,
,,6CSQ,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,F9P:A:804,valid,Kd,=,410,nM,C1CCC(CC1)C(=O)NO,
,,,F9P:B:804,valid,Kd,=,410,nM,C1CCC(CC1)C(=O)NO,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,5WGK,,,,,,,
,,,IOD:A:806,invalid,,,,,[I-],
,,,IOD:A:809,invalid,,,,,[I-],
,,,IOD:A:802,invalid,,,,,[I-],
,,,IOD:A:810,invalid,,,,,[I-],
,,,IOD:A:807,invalid,,,,,[I-],
,,,IOD:A:801,invalid,,,,,[I-],
,,,IOD:A:803,invalid,,,,,[I-],
,,,IOD:A:805,invalid,,,,,[I-],
,,,IOD:A:808,invalid,,,,,[I-],
,,,IOD:A:804,invalid,,,,,[I-],
,,,IOD:A:811,invalid,,,,,[I-],
,,,K:A:815,Part of Protein,,,,,[K+],
,,,K:A:813,Part of Protein,,,,,[K+],
,,,K:A:814,Part of Protein,,,,,[K+],
,,,AGJ:A:816,valid,,,,,c1ccc(cc1)CC(=O)N(CCO)Cc2ccc(cc2)C(=O)NO,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:827,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:825,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:A:820,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:826,invalid,,,,,C(CO)O,
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,EDO:A:828,invalid,,,,,C(CO)O,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,ZN:A:812,Part of Protein,,,,,[Zn+2],
,,,PEG:A:831,invalid,,,,,C(COCCO)O,
,,5EFN,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,ARG GLY 5OL MCM:F:2,valid,,,,,O=C(Nc1cc2OC(=O)C=C(C)c2cc1)C(NC(=O)CNC(=O)C([NH3+])C)CCCC[NH2+]C(O)(O)C,
,,,ARG GLY 5OL MCM:E:2,valid,,,,,O=C(Nc1cc2OC(=O)C=C(C)c2cc1)C(NC(=O)CNC(=O)C([NH3+])C)CCCC[NH2+]C(O)(O)C,
,,6R0K,,,,,,,
,,,SCN:A:2011,invalid,,,,,C(#N)[S-],
,,,SCN:A:2010,invalid,,,,,C(#N)[S-],
,,,SCN:A:2012,invalid,,,,,C(#N)[S-],
,,,SCN:A:2008,invalid,,,,,C(#N)[S-],
,,,SCN:A:2009,invalid,,,,,C(#N)[S-],
,,,SCN:A:2006,invalid,,,,,C(#N)[S-],
,,,SCN:A:2005,invalid,,,,,C(#N)[S-],
,,,SCN:A:2007,invalid,,,,,C(#N)[S-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,JNN:A:2004,valid,ic50,=,12,nM,c1cc(c(cc1C(=O)NCCc2cc(no2)C(=O)NO)Cl)Cl,
,,,K:A:2003,Part of Protein,,,,,[K+],
,,,K:A:2002,Part of Protein,,,,,[K+],
,,5EEI,,,,,,,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,CL:A:2011,invalid,,,,,[Cl-],
,,,CL:A:2008,invalid,,,,,[Cl-],
,,,CL:B:808,invalid,,,,,[Cl-],
,,,CL:B:807,invalid,,,,,[Cl-],
,,,CL:A:2009,invalid,,,,,[Cl-],
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,SHH:A:2004,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:801,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,MG:A:2010,Part of Protein,,,,,[Mg+2],
,,,K:B:804,Part of Protein,,,,,[K+],
,,,K:A:2003,Part of Protein,,,,,[K+],
,,,K:A:2002,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,6CSS,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,FBJ:B:804,valid,Kd,=,25,nM,C1CC=C(C1)C(=O)NO,
,,,FBJ:A:804,valid,Kd,=,25,nM,C1CC=C(C1)C(=O)NO,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,6CGP,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:A:801,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,F1Y:A:804,valid,ic50,=,0.058,uM,CCCc1c(n2ccccc2n1)Nc3ccc(cc3)C(=O)NO,
,,6V7A,,,,,,,
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,QQG:A:804,valid,ic50,=,264.4,nM,CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4,
,,5WGL,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:B:811,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:812,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,FLC:A:813,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,AH4:B:804,valid,,,,,c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO,
,,,AH4:A:804,valid,,,,,c1ccc(cc1)N(c2ccccc2)c3ncc(cn3)C(=O)NCCCCCCC(=O)NO,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,PEG:A:812,invalid,,,,,C(COCCO)O,
,,6CSP,,,,,,,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:815,invalid,,,,,C(CO)O,
,,,EDO:B:812,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:B:811,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:B:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:816,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:804,invalid,,,,,[Cl-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,FBM:A:807,valid,Kd,=,3,nM,C1CCC(=CC1)C(=O)NO,
,,,FBM:B:805,valid,Kd,=,3,nM,C1CCC(=CC1)C(=O)NO,
,,,PEG:B:818,invalid,,,,,C(COCCO)O,
,,5WGI,,,,,,,
,,,K:A:804,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,GOL:A:817,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:819,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:818,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,TSN:A:802,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,PEG:A:821,invalid,,,,,C(COCCO)O,
,,,PEG:A:820,invalid,,,,,C(COCCO)O,
,,,MG:A:822,invalid,,,,,[Mg+2],
,,6PZO,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,P6Y:B:804,valid,,,,,c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO,
,,,P6Y:A:804,valid,,,,,c1cc(c(nc1)C(F)(F)F)C(=O)NCc2ccc(cc2)C(=O)NO,
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,6DVM,,,,,,,
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:D:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:C:803,Part of Protein,,,,,[K+],
,,,K:D:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:C:802,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:C:806,invalid,,,,,C(CO)O,
,,,EDO:D:808,invalid,,,,,C(CO)O,
,,,EDO:D:805,invalid,,,,,C(CO)O,
,,,EDO:D:809,invalid,,,,,C(CO)O,
,,,EDO:C:809,invalid,,,,,C(CO)O,
,,,EDO:D:806,invalid,,,,,C(CO)O,
,,,EDO:D:810,invalid,,,,,C(CO)O,
,,,EDO:C:808,invalid,,,,,C(CO)O,
,,,EDO:C:807,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,EDO:D:807,invalid,,,,,C(CO)O,
,,,BTB:C:810,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HBJ:B:804,valid,ic50,=,3,nM,Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C,
,,,HBJ:D:804,valid,ic50,=,3,nM,Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C,
,,,HBJ:A:804,valid,ic50,=,3,nM,Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C,
,,,HBJ:C:804,valid,ic50,=,3,nM,Cc1ccc(cc1)NC(=O)CN(Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C,
,,6CSR,,,,,,,
,,,BHO:B:804,valid,Kd,=,144,nM,c1ccc(cc1)C(=O)NO,
,,,BHO:A:804,valid,Kd,=,144,nM,c1ccc(cc1)C(=O)NO,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,5EFK,,,,,,,
,,,NO3:B:2006,invalid,,,,,[N+](=O)([O-])[O-],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,K:B:2003,Part of Protein,,,,,[K+],
,,,GOL:B:2004,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:2005,invalid,,,,,C(COCCO)O,
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,SER ASP ALY MCM:A:2,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C)CC(=O)[O-],
,,,EDO:B:2007,invalid,,,,,C(CO)O,
,,6PYE,,,,,,,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,K:A:806,Part of Protein,,,,,[K+],
,,,K:B:808,Part of Protein,,,,,[K+],
,,,K:A:805,Part of Protein,,,,,[K+],
,,,K:B:809,Part of Protein,,,,,[K+],
,,,P5Y:A:801,valid,ic50,=,0.03,uM,c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F,
,,,P5Y:B:801,valid,ic50,=,0.03,uM,c1ccc(cc1)Cn2c(nnn2)CN(Cc3ccc(cc3)C(=O)NO)C(=O)c4ccccc4C(F)(F)F,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:807,Part of Protein,,,,,[Zn+2],
,,6DVO,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,HBV:A:805,valid,ic50,=,60,nM,CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C4)C3,
,,6DVL,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,HBG:A:804,valid,ic50,=,11,nM,Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C,
,,,HBG:B:804,valid,ic50,=,11,nM,Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C,
,,5EFJ,,,,,,,
,,,NO3:D:2006,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:2005,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZN:D:2001,Part of Protein,,,,,[Zn+2],
,,,EDO:D:2007,invalid,,,,,C(CO)O,
,,,EDO:D:2008,invalid,,,,,C(CO)O,
,,,EDO:D:2009,invalid,,,,,C(CO)O,
,,,5OM DPR ALA DAL:F:1,valid,Ki,=,0.35,uM,O=C1C(C)NC(=O)C(C)NC(=O)C2[N+](=C(O)C(CCCCCC(O)(O)C3OC3)N1)CCC2,
,,,GOL:D:2004,invalid,,,,,C(C(CO)O)O,
,,,K:D:2002,Part of Protein,,,,,[K+],
,,,K:D:2003,Part of Protein,,,,,[K+],
,,6PZR,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,IOD:B:810,invalid,,,,,[I-],
,,,IOD:B:809,invalid,,,,,[I-],
,,,IOD:A:808,invalid,,,,,[I-],
,,,IOD:A:809,invalid,,,,,[I-],
,,,IOD:A:810,invalid,,,,,[I-],
,,,IOD:B:808,invalid,,,,,[I-],
,,,IOD:A:811,invalid,,,,,[I-],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,P7D:A:804,valid,,,,,CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO,
,,,P7D:B:804,valid,,,,,CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO,
,,6DVN,,,,,,,
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:D:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:C:803,Part of Protein,,,,,[K+],
,,,K:D:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:C:802,Part of Protein,,,,,[K+],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:D:805,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,HB7:D:804,valid,ic50,=,14,nM,CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3,
,,,HB7:A:804,valid,ic50,=,14,nM,CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3,
,,,HB7:B:804,valid,ic50,=,14,nM,CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3,
,,,HB7:C:804,valid,ic50,=,14,nM,CN(C)c1ccc(cc1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NCc3ccccc3,
,,5WGM,,,,,,,
,,,AH7:C:804,valid,,,,,c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO,
,,,AH7:B:804,valid,,,,,c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO,
,,,AH7:A:804,valid,,,,,c1ccc(cc1)C2(CCC(CC2)(F)F)Nc3ncc(cn3)C(=O)NO,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:C:806,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:818,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:C:815,invalid,,,,,C(CO)O,
,,,EDO:C:809,invalid,,,,,C(CO)O,
,,,EDO:C:813,invalid,,,,,C(CO)O,
,,,EDO:B:819,invalid,,,,,C(CO)O,
,,,EDO:B:815,invalid,,,,,C(CO)O,
,,,EDO:C:808,invalid,,,,,C(CO)O,
,,,EDO:B:812,invalid,,,,,C(CO)O,
,,,EDO:C:810,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:C:814,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:B:811,invalid,,,,,C(CO)O,
,,,EDO:B:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:C:811,invalid,,,,,C(CO)O,
,,,EDO:C:812,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:816,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:C:807,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,PGE:C:816,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:816,invalid,,,,,C(COCCOCCO)O,
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:C:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:C:802,Part of Protein,,,,,[K+],
,,,PEG:C:817,invalid,,,,,C(COCCO)O,
,,,PEG:A:817,invalid,,,,,C(COCCO)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,6VNR,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,K:B:803,Part of Protein,,,,,[K+],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,K:A:802,Part of Protein,,,,,[K+],
,,,R5G:A:804,valid,,,,,c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO,
,,,R5G:B:804,valid,,,,,c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1W22,,,,,,,
,,,K:A:1376,Part of Protein,,,,,[K+],
,,,K:A:1377,Part of Protein,,,,,[K+],
,,,K:B:1376,Part of Protein,,,,,[K+],
,,,K:B:1377,Part of Protein,,,,,[K+],
,,,NHB:A:1378,valid,ic50,=,175.5,nM,CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3,
,,,NHB:B:1378,valid,ic50,=,175.5,nM,CN(c1ccc(cc1)C(=O)NO)S(=O)(=O)c2ccc(s2)c3ccccn3,
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1375,Part of Protein,,,,,[Zn+2],
,,5THU,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,B3N:A:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,GGG:B:405,valid,,,,,C(C(=O)NCC(=O)NCC(=O)O)N,
,,5D1D,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,5DC7,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,4QA4,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,B3N:A:501,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,2V5X,,,,,,,
,,,K:A:1378,Part of Protein,,,,,[K+],
,,,K:A:1379,Part of Protein,,,,,[K+],
,,,K:B:1378,Part of Protein,,,,,[K+],
,,,K:B:1379,Part of Protein,,,,,[K+],
,,,V5X:A:1380,valid,Kd,=,220,nM,Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5,
,,,V5X:B:1380,valid,Kd,=,220,nM,Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)N[C@H](CCCCCC(=O)NO)C(=O)NCCc3c4ccccc4[nH]c3c5ccccc5,
,,,ZN:A:1377,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1377,Part of Protein,,,,,[Zn+2],
,,4QA6,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,ACE ARG HIS ALY ALY MCM:D:501,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:C:501,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,5THT,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:C:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:C:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:414,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:C:411,invalid,,,,,C(CO)O,
,,,EDO:C:410,invalid,,,,,C(CO)O,
,,,EDO:D:409,invalid,,,,,C(CO)O,
,,,EDO:D:410,invalid,,,,,C(CO)O,
,,,EDO:C:413,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,B3N:A:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:D:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:C:404,Part of Protein,,,,,[K+],
,,,K:D:403,Part of Protein,,,,,[K+],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:D:404,Part of Protein,,,,,[K+],
,,4QA0,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,SHH:A:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4QA2,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,SHH:A:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,3SFF,,,,,,,
,,,0DI:A:378,valid,ic50,=,200,nM,c1cc(cc(c1)Cl)C[C@H](C(=O)N2CCN(CC2)C(=O)c3cc(ccc3F)F)N,
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,7JVU,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,SHH:A:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:404,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3RQD,,,,,,,
,,,02G GLY BB9 03Y VAL:C:1,valid,,,,,SCCC=CC1OC(=O)C(C(C)C)NC(=O)C2(C)N=C(SC2)c2nc(sc2)CNC(=O)C1,
,,,02G GLY BB9 03Y VAL:D:1,valid,,,,,SCCC=CC1OC(=O)C(C(C)C)NC(=O)C2(C)N=C(SC2)c2nc(sc2)CNC(=O)C1,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3MZ4,,,,,,,
,,,B3N:A:501,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:501,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,K:A:391,Part of Protein,,,,,[K+],
,,,K:A:392,Part of Protein,,,,,[K+],
,,,K:B:391,Part of Protein,,,,,[K+],
,,,K:B:392,Part of Protein,,,,,[K+],
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:B:390,Part of Protein,,,,,[Mn+2],
,,5THV,,,,,,,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,B3N:B:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:A:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,5DC6,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,3EW8,,,,,,,
,,,B3N:A:501,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1VKG,,,,,,,
,,,CRI:A:402,valid,,,,,Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO,
,,,CRI:B:402,valid,,,,,Cc1ccc(cc1)C(=O)Nc2cc(cc(c2)C(=O)N(C)C)c3ccc(cc3)C(=O)NO,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,3MZ6,,,,,,,
,,,B3N:A:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,FE2:A:400,Part of Protein,,,,,[Fe+2],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,5THS,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,B3N:B:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:A:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,7JVW,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,B3N:B:401,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:A:501,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,3EWF,,,,,,,
,,,ACE ARG HIS ALY ALY MCM:I:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:J:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:K:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:L:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:B:405,Part of Protein,,,,,[K+],
,,,K:C:407,Part of Protein,,,,,[K+],
,,,K:C:408,Part of Protein,,,,,[K+],
,,,K:D:410,Part of Protein,,,,,[K+],
,,,K:D:411,Part of Protein,,,,,[K+],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:413,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:406,Part of Protein,,,,,[Zn+2],
,,,ZN:C:412,Part of Protein,,,,,[Zn+2],
,,,ZN:D:409,Part of Protein,,,,,[Zn+2],
,,3MZ7,,,,,,,
,,,B3N:A:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,CO:A:390,Part of Protein,,,,,[Co+2],
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,K:A:391,Part of Protein,,,,,[K+],
,,,K:A:392,Part of Protein,,,,,[K+],
,,5DC5,,,,,,,
,,,B3N:A:402,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:403,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,4QA5,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,ACE ARG HIS ALY ALY MCM:D:501,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:C:501,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1T64,,,,,,,
,,,CA:A:389,Part of Protein,,,,,[Ca+2],
,,,CA:A:390,Part of Protein,,,,,[Ca+2],
,,,CA:B:1389,Part of Protein,,,,,[Ca+2],
,,,CA:B:1390,Part of Protein,,,,,[Ca+2],
,,,NA:A:391,Part of Protein,,,,,[Na+],
,,,NA:A:392,Part of Protein,,,,,[Na+],
,,,NA:B:1391,Part of Protein,,,,,[Na+],
,,,NA:B:1392,Part of Protein,,,,,[Na+],
,,,TSN:A:386,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:A:387,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:B:1386,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:B:1387,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,ZN:A:388,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1388,Part of Protein,,,,,[Zn+2],
,,4QA7,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,ACE ARG HIS ALY ALY MCM:B:501,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,4RN2,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,L7G:A:404,valid,ic50,=,1500,nM,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,,,L7G:B:404,valid,ic50,=,1500,nM,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,,7JVV,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,K:B:405,Part of Protein,,,,,[K+],
,,,K:B:406,Part of Protein,,,,,[K+],
,,,K:A:806,Part of Protein,,,,,[K+],
,,,K:A:805,Part of Protein,,,,,[K+],
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,1T67,,,,,,,
,,,B3N:A:381,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,NA:A:379,Part of Protein,,,,,[Na+],
,,,NA:A:380,Part of Protein,,,,,[Na+],
,,,ZN:A:378,Part of Protein,,,,,[Zn+2],
,,6HSK,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,GOK:B:404,valid,,,,,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:A:404,valid,,,,,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4RN1,,,,,,,
,,,L8G:A:404,valid,,,,,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,,,L8G:B:404,valid,,,,,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cccc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,IMD:A:405,invalid,,,,,c1c[nH+]c[nH]1,
,,4QA1,,,,,,,
,,,K:C:401,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,K:D:401,Part of Protein,,,,,[K+],
,,,B3N:A:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:D:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:404,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,5VI6,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,DIO:A:414,invalid,,,,,C1COCCO1,
,,,DIO:A:415,invalid,,,,,C1COCCO1,
,,,PHE PHE CPI 5OM:B:1,valid,,,,,O=C1C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC(=O)C(CCCCCC(O)(O)C2OC2)NC(=O)C2N1CCCC2,
,,5FCW,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,5YA:B:404,valid,ic50,=,0.3,uM,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:B:401,valid,ic50,=,0.3,uM,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:B:405,valid,ic50,=,0.3,uM,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:A:401,valid,ic50,=,0.3,uM,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,P6G:A:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,5D1C,,,,,,,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,5DC8,,,,,,,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ACE ARG HIS ALY ALY MCM:C:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:D:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,2V5W,,,,,,,
,,,ACE ARG HIS ALY ALY MCM:I:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,ACE ARG HIS ALY ALY MCM:L:1,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCCNC(=O)C,
,,,GLY GLY GLY:G:1,invalid,,,,,O=C(NCC(=O)NCC=O)C[NH3+],
,,,K:A:1378,Part of Protein,,,,,[K+],
,,,K:A:1379,Part of Protein,,,,,[K+],
,,,K:B:1377,Part of Protein,,,,,[K+],
,,,K:B:1378,Part of Protein,,,,,[K+],
,,,ZN:A:1380,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1379,Part of Protein,,,,,[Zn+2],
,,4RN0,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,IMD:A:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,L6G:B:501,valid,ic50,=,255,nM,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,,,L6G:A:501,valid,ic50,=,255,nM,CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS,
,Family. Representative Entry is ,3ZNR,,,,,,,
,,,K:C:202,Part of Protein,,,,,[K+],
,,,K:C:201,Part of Protein,,,,,[K+],
,,,K:B:202,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,,NU9:A:1000,valid,Ki,=,0.036,uM,c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(=O)c4cccc(c4)c5nc(on5)C(F)(F)F,
,,3ZNS,,,,,,,
,,,K:C:202,Part of Protein,,,,,[K+],
,,,K:C:201,Part of Protein,,,,,[K+],
,,,K:B:202,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,NU7:C:1900,valid,Ki,=,0.039,uM,CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5,
,,,NU7:A:1900,valid,Ki,=,0.039,uM,CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5,
,,,NU7:B:1900,valid,Ki,=,0.039,uM,CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5,
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,3C0Z,,,,,,,
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,K:B:202,Part of Protein,,,,,[K+],
,,,K:C:201,Part of Protein,,,,,[K+],
,,,K:C:202,Part of Protein,,,,,[K+],
,,,SHH:A:301,valid,ic50,=,113,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:301,valid,ic50,=,113,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:C:301,valid,ic50,=,113,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:102,Part of Protein,,,,,[Zn+2],
,,3C10,,,,,,,
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,K:B:202,Part of Protein,,,,,[K+],
,,,K:C:201,Part of Protein,,,,,[K+],
,,,K:C:202,Part of Protein,,,,,[K+],
,,,TSN:A:301,valid,ic50,=,0.3,uM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:B:301,valid,ic50,=,0.3,uM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:C:301,valid,ic50,=,0.3,uM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:102,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6XDM,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V1D:C:410,valid,ic50,=,0.1,nM,CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F,
,,,V1D:A:411,valid,ic50,=,0.1,nM,CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F,
,,,V1D:B:408,valid,ic50,=,0.1,nM,CN1CC(C1)C(=O)N[C@@H](CCCCCC(c2ccon2)(O)O)c3[nH]cc(n3)c4ccccc4F,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:409,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:C:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,5IX0,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,PG4:C:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PGE:A:410,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:411,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:408,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:414,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:410,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:409,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:413,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:412,invalid,,,,,C(COCCOCCO)O,
,,,6EZ:A:404,valid,Ki,=,0.519,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F,
,,,6EZ:C:404,valid,Ki,=,0.519,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F,
,,,6EZ:B:404,valid,Ki,=,0.519,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3C[C@H]4CC[C@@H](C3)O4)N)F,
,,,PG5:A:408,invalid,,,,,COCCOCCOCCOC,
,,,PG5:B:409,invalid,,,,,COCCOCCOCCOC,
,,,PG5:B:408,invalid,,,,,COCCOCCOCCOC,
,,7KBG,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WBD:C:411,invalid,,,,,c1cc2c(cc1Cl)nc([nH]2)Cl,
,,,PEG:C:409,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:C:410,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,WBA:A:411,valid,ic50,=,29,nM,c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5,
,,,WBA:C:412,valid,ic50,=,29,nM,c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5,
,,,WBA:B:409,valid,ic50,=,29,nM,c1ccc2cc(ccc2c1)c3cnc([nH]3)[C@H](CCCCNC(=O)c4c(cccc4F)O)NC(=O)c5cncs5,
,,,DMS:C:401,invalid,,,,,CS(=O)C,
,,6XEC,,,,,,,
,,,CA:C:407,Part of Protein,,,,,[Ca+2],
,,,CA:C:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,V1S:B:408,valid,,,,,CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O,
,,,V1S:A:411,valid,,,,,CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O,
,,,V1S:C:410,valid,,,,,CCC(CCCCC[C@@H](c1c([nH]c(n1)c2ccc(cc2)F)C#N)NC(=O)[C@H]3CC34CCN(CC4)C)(O)O,
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:409,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:C:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4LY1,,,,,,,
,,,20Y:C:406,valid,Kd,=,0.0552,uM,CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3,
,,,20Y:B:408,valid,Kd,=,0.0552,uM,CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3,
,,,20Y:A:407,valid,Kd,=,0.0552,uM,CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NHE:B:404,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,4LXZ,,,,,,,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,SHH:B:408,valid,Kd,=,0.182,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:C:406,valid,Kd,=,0.182,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:A:407,valid,Kd,=,0.182,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NHE:B:404,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,6XEB,,,,,,,
,,,V1P:A:411,valid,,,,,CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O,
,,,V1P:C:410,valid,,,,,CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O,
,,,V1P:B:408,valid,,,,,CCC(CCCCC[C@@H](c1c(nc([nH]1)c2ccccc2)C(=O)N)NC(=O)C3CN(C3)C)(O)O,
,,,CA:C:407,Part of Protein,,,,,[Ca+2],
,,,CA:C:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:409,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:C:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,6WBW,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,CA:C:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:C:405,invalid,,,,,C(COCCO)O,
,,,TV1:A:401,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O,
,,,TV1:B:401,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O,
,,,TV1:C:401,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)C4CN(C4)C)(O)O,
,,6G3O,,,,,,,
,,,EL8:A:1004,valid,,,,,C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F,
,,,EL8:B:1004,valid,,,,,C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F,
,,,EL8:C:1004,valid,,,,,C[C@H](CCCCC(=O)NO)NC1=C(C(=O)C1=O)Nc2ccc(cc2)OC(F)(F)F,
,,,PG4:B:1007,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:B:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:C:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,NA:C:1003,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,5IWG,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,IWX:C:403,valid,Ki,=,0.346,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F,
,,,IWX:A:403,valid,Ki,=,0.346,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F,
,,,IWX:B:403,valid,Ki,=,0.346,uM,c1cc(ccc1c2ccc(c(c2)NC(=O)C3CCOCC3)N)F,
,,,PG5:A:405,invalid,,,,,COCCOCCOCCOC,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:407,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:C:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PG4:B:408,invalid,,,,,C(COCCOCCOCCO)O,
,,6WBZ,,,,,,,
,,,CA:C:407,Part of Protein,,,,,[Ca+2],
,,,CA:C:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,TV7:A:411,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O,
,,,TV7:B:408,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O,
,,,TV7:C:410,valid,,,,,CCC(CCCCC[C@@H](c1[nH]c(cn1)c2cc3ccccc3nc2OC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O,
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:C:409,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:C:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3MAX,,,,,,,
,,,CA:A:380,Part of Protein,,,,,[Ca+2],
,,,CA:B:380,Part of Protein,,,,,[Ca+2],
,,,CA:C:380,Part of Protein,,,,,[Ca+2],
,,,LLX:A:400,valid,ic50,=,0.027,uM,c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N,
,,,LLX:B:400,valid,ic50,=,0.027,uM,c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N,
,,,LLX:C:400,valid,ic50,=,0.027,uM,c1ccc(cc1)c2ccc(c(c2)NC(=O)c3ccccc3)N,
,,,NA:A:381,Part of Protein,,,,,[Na+],
,,,NA:B:381,Part of Protein,,,,,[Na+],
,,,NA:C:381,Part of Protein,,,,,[Na+],
,,,NHE:A:383,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,ZN:A:379,Part of Protein,,,,,[Zn+2],
,,,ZN:B:379,Part of Protein,,,,,[Zn+2],
,,,ZN:C:379,Part of Protein,,,,,[Zn+2],
4.1.1.50,,,,,,,,,
,Family. Representative Entry is ,1I7M,,,,,,,
,,,CG:A:375,valid,ic50,=,0.23,nM,c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N,
,,,CG:D:1375,valid,ic50,=,0.23,nM,c1cc2c(c(c1)C(=N)N)CCC2=NNC(=N)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,,PUT:D:1350,valid,,,,,C(CCN)CN,
,Family. Representative Entry is ,3DZ6,,,,,,,
,,,M8E:A:368,valid,ic50,=,15,nM,C[N@@](CCCCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C=C)O)O,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,1I7B,,,,,,,
,,,PUT:A:350,valid,,,,,C(CCN)CN,
,,,SMM:A:368,invalid,,,,,COC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,3H0V,,,,,,,
,,,M2T:A:368,valid,ic50,=,15,uM,CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,,PYR:A:68,invalid,,,,,CC(=O)C(=O)O,
,,3EPB,,,,,,,
,,,PUT:B:350,valid,Ka,=,10000,M^-1,C(CCN)CN,
,,,PYR:A:68,invalid,,,,,CC(=O)C(=O)O,
,,1I72,,,,,,,
,,,MAO:A:368,invalid,,,,,C[N@@](CCON)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PUT:A:350,valid,,,,,C(CCN)CN,
,,3DZ4,,,,,,,
,,,C8M:A:368,valid,ic50,=,400,nM,Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCC(=O)N)O)O)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,3DZ5,,,,,,,
,,,M8M:A:368,Part of Protein,,,,,Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCON)O)O)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,1I7C,,,,,,,
,,,MGB:A:375,valid,ic50,=,0.4,uM,[H]/N=C(N)/N/N=C/C(=NNC(=N)N)C,
,,,PUT:A:350,valid,,,,,C(CCN)CN,
,,3H0W,,,,,,,
,,,N8M:A:368,valid,ic50,=,600,nM,Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CN(C)C)O)O)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,,PYR:A:68,invalid,,,,,CC(=O)C(=O)O,
,,3DZ7,,,,,,,
,,,O8M:A:368,valid,,,,,Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CC(=O)N)O)O)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,,1I79,,,,,,,
,,,MHZ:A:368,invalid,,,,,C[N@@](CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PUT:A:350,valid,,,,,C(CCN)CN,
,,3EPA,,,,,,,
,,,PUT:A:350,valid,Ka,=,2000,M^-1,C(CCN)CN,
,,,PYR:A:68,invalid,,,,,CC(=O)C(=O)O,
,,,TRS:B:368,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3DZ2,,,,,,,
,,,A8M:A:368,valid,ic50,=,70,uM,Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)C[N@@](C)CCCN)O)O)N,
,,,PUT:B:350,valid,,,,,C(CCN)CN,
,Family. Representative Entry is ,5TVM,,,,,,,
,,,PUT:E:401,valid,,,,,C(CCN)CN,
,,,PUT:F:401,valid,,,,,C(CCN)CN,
,,,B3P:B:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:D:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,5TVF,,,,,,,
,,,PUT:E:401,valid,,,,,C(CCN)CN,
,,,PUT:F:401,valid,,,,,C(CCN)CN,
,,,PUT:B:403,valid,,,,,C(CCN)CN,
,,,PUT:D:403,valid,,,,,C(CCN)CN,
,,,B3P:B:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:D:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,CGQ:D:402,valid,,,,,c1cc(cc(c1)C(=[NH2+])N)C=NN/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N,
,,,CGQ:B:402,valid,,,,,c1cc(cc(c1)C(=[NH2+])N)C=NN/C(=[NH+]/N=C/c2cccc(c2)C(=[NH2+])N)/N,
,Family. Representative Entry is ,3IWD,,,,,,,
,,,M2T:A:368,valid,,,,,CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,M2T:D:368,valid,,,,,CS(C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1JL0,,,,,,,
,,,PUT:A:401,valid,,,,,C(CCN)CN,
,,,PUT:B:401,valid,,,,,C(CCN)CN,
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1MSV,,,,,,,
,,,PUT:A:355,valid,,,,,C(CCN)CN,
,,,PUT:B:355,valid,,,,,C(CCN)CN,
,,,TRS:A:500,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
1.2.1.12,,,,,,,,,
,Family. Representative Entry is ,1CER,,,,,,,
,,,NAD:A:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1HDG,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3V1Y,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3H9E,,,,,,,
,,,EDO:O:14,invalid,,,,,C(CO)O,
,,,EDO:O:15,invalid,,,,,C(CO)O,
,,,EDO:O:17,invalid,,,,,C(CO)O,
,,,EDO:O:18,invalid,,,,,C(CO)O,
,,,EDO:O:8,invalid,,,,,C(CO)O,
,,,EDO:O:9,invalid,,,,,C(CO)O,
,,,EDO:P:10,invalid,,,,,C(CO)O,
,,,EDO:P:11,invalid,,,,,C(CO)O,
,,,EDO:P:12,invalid,,,,,C(CO)O,
,,,EDO:P:13,invalid,,,,,C(CO)O,
,,,EDO:P:16,invalid,,,,,C(CO)O,
,,,EDO:P:5,invalid,,,,,C(CO)O,
,,,EDO:P:6,invalid,,,,,C(CO)O,
,,,EDO:P:7,invalid,,,,,C(CO)O,
,,,NAD:O:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:O:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:415,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:415,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5C7O,,,,,,,
,,,SO4:O:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:P:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3PFW,,,,,,,
,,,GOL:O:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:416,invalid,,,,,C(C(CO)O)O,
,,,NAD:O:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1DSS,,,,,,,
,,,NAD:G:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:G:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SZJ,,,,,,,
,,,NAD:G:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:G:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2VYN,,,,,,,
,,,FMT:A:1332,invalid,,,,,C(=O)O,
,,,FMT:A:1333,invalid,,,,,C(=O)O,
,,,FMT:A:1334,invalid,,,,,C(=O)O,
,,,FMT:B:1332,invalid,,,,,C(=O)O,
,,,FMT:B:1333,invalid,,,,,C(=O)O,
,,,FMT:B:1334,invalid,,,,,C(=O)O,
,,,FMT:B:1335,invalid,,,,,C(=O)O,
,,,FMT:C:1332,invalid,,,,,C(=O)O,
,,,FMT:C:1333,invalid,,,,,C(=O)O,
,,,FMT:D:1336,invalid,,,,,C(=O)O,
,,,FMT:D:1337,invalid,,,,,C(=O)O,
,,,FMT:D:1338,invalid,,,,,C(=O)O,
,,,FMT:D:1339,invalid,,,,,C(=O)O,
,,,FMT:D:1340,invalid,,,,,C(=O)O,
,,,NAD:A:1335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2VYV,,,,,,,
,,,1GP:D:1334,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,FMT:A:1330,invalid,,,,,C(=O)O,
,,,FMT:A:1331,invalid,,,,,C(=O)O,
,,,FMT:A:1332,invalid,,,,,C(=O)O,
,,,FMT:B:1330,invalid,,,,,C(=O)O,
,,,FMT:B:1331,invalid,,,,,C(=O)O,
,,,FMT:B:1332,invalid,,,,,C(=O)O,
,,,FMT:B:1333,invalid,,,,,C(=O)O,
,,,FMT:C:1330,invalid,,,,,C(=O)O,
,,,FMT:C:1331,invalid,,,,,C(=O)O,
,,,FMT:D:1335,invalid,,,,,C(=O)O,
,,,FMT:D:1336,invalid,,,,,C(=O)O,
,,,FMT:D:1337,invalid,,,,,C(=O)O,
,,,FMT:D:1338,invalid,,,,,C(=O)O,
,,,FMT:D:1339,invalid,,,,,C(=O)O,
,,,NAD:A:1333,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1332,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3L4S,,,,,,,
,,,3PG:O:338,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:P:338,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:Q:338,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:R:338,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,NAD:O:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3LVF,,,,,,,
,,,NAD:O:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3LC1,,,,,,,
,,,GOL:P:337,invalid,,,,,C(C(CO)O)O,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3K73,,,,,,,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:O:337,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:337,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Q:337,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Q:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:337,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3KSD,,,,,,,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:337,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3HQ4,,,,,,,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3K9Q,,,,,,,
,,,CL:O:338,invalid,,,,,[Cl-],
,,,GOL:O:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:337,invalid,,,,,C(C(CO)O)O,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3KV3,,,,,,,
,,,3PG:O:337,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:P:337,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:Q:337,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:R:337,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,NAD:O:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:0,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1K3T,,,,,,,
,,,BRZ:C:960,valid,ic50,=,64,uM,CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)O[C@@H](C3)C(C)(C)O,
,,1ML3,,,,,,,
,,,CYX:B:1166,valid,,,,,C=C(CCP(=O)(O)O)C=O,
,,,CYX:C:2166,valid,,,,,C=C(CCP(=O)(O)O)C=O,
,,,CYX:D:3166,valid,,,,,C=C(CCP(=O)(O)O)C=O,
,,,NAD:B:1362,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1J0X,,,,,,,
,,,NAD:P:1336,valid,Kd,=,0.01,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:2336,valid,Kd,=,0.01,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4O59,,,,,,,
,,,NAD:R:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1ZNQ,,,,,,,
,,,NAD:O:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:1004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1U8F,,,,,,,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4WNI,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:O:403,Part of Protein,,,,,[Zn+2],
,,,ZN:O:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,4WNC,,,,,,,
,,,NAD:E:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:O:403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:404,invalid,,,,,CC(=O)[O-],
,,,ZN:O:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,4O63,,,,,,,
,,,NAD:R:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5UR0,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,OCS:D:149,invalid,,,,,C([C@@H](C(=O)O)N)S(=O)(=O)O,
,,,OCS:C:149,invalid,,,,,C([C@@H](C(=O)O)N)S(=O)(=O)O,
,,,OCS:B:149,invalid,,,,,C([C@@H](C(=O)O)N)S(=O)(=O)O,
,,,OCS:A:149,invalid,,,,,C([C@@H](C(=O)O)N)S(=O)(=O)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6FZH,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,6ITE,,,,,,,
,,,SO4:R:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4Z0H,,,,,,,
,,,SO4:R:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:R:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3CMC,,,,,,,
,,,EDO:Q:405,invalid,,,,,C(CO)O,
,,,G3H:O:400,Part of Protein,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:P:400,Part of Protein,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:Q:400,Part of Protein,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:R:400,Part of Protein,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,GOL:O:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:410,invalid,,,,,C(C(CO)O)O,
,,,NAD:O:407,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:408,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2DBV,,,,,,,
,,,NDP:O:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:P:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:Q:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:R:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DBV,,,,,,,
,,,NDP:O:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:P:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:Q:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:R:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DBV,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DBV,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NQA,,,,,,,
,,,G3H:O:1337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:P:2337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:Q:3337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:R:4337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,NAD:O:1336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:2336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:3336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:4336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1NQO,,,,,,,
,,,G3H:A:5337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:C:7337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:O:1337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:Q:3337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,NAD:A:5336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:7336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:1336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:3336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1NPT,,,,,,,
,,,NAD:O:1336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:2336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:3336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:4336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:2338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:3338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:4338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GD1,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:O:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NQ5,,,,,,,
,,,NAD:A:5336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:7336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:1336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:3336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:5338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:7338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:3338,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6WYC,,,,,,,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6X2E,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2B4R,,,,,,,
,,,AES:O:601,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,AES:P:602,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,AES:R:603,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,GOL:O:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:903,invalid,,,,,C(C(CO)O)O,
,,,NAD:O:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2B4T,,,,,,,
,,,AES:O:601,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,AES:P:602,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,AES:R:603,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,NAD:O:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3CIF,,,,,,,
,,,G3H:A:1337,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:B:1338,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:C:1339,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:D:1340,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,GOL:B:340,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:340,invalid,,,,,C(C(CO)O)O,
,,,MG:B:341,Part of Protein,,,,,[Mg+2],
,,,MG:D:340,Part of Protein,,,,,[Mg+2],
,,,NAD:A:5463,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:5464,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:5465,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:5466,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1VSV,,,,,,,
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1GAD,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1DC6,,,,,,,
,,,NAD:A:351,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1GAE,,,,,,,
,,,NAD:O:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:P:336,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5ZA0,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1CF2,,,,,,,
,,,NAP:O:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:Q:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:R:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:O:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.49,,,,,,,,,
,Family. Representative Entry is ,1OS1,,,,,,,
,,,ATP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,PYR:A:542,valid,,,,,CC(=O)C(=O)O,
,,6ASM,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,XE:A:704,invalid,,,,,[Xe],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,ATP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,THJ:A:706,invalid,,,,,[O-]S(=O)(=O)[S-],
,,,BTB:A:705,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,1K3D,,,,,,,
,,,ADP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:999,valid,,,,,F[Al](F)F,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,1AYL,,,,,,,
,,,ATP:A:544,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:543,Part of Protein,,,,,[Mg+2],
,,,OXL:A:542,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,6AT2,,,,,,,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,ATP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TRS:A:704,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,THJ:A:705,invalid,,,,,[O-]S(=O)(=O)[S-],
,,2OLQ,,,,,,,
,,,ATP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO2:A:542,invalid,,,,,C(=O)=O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,MN:A:998,Part of Protein,,,,,[Mn+2],
,,6AT3,,,,,,,
,,,OAA:A:601,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,THJ:B:603,invalid,,,,,[O-]S(=O)(=O)[S-],
,,,THJ:B:601,invalid,,,,,[O-]S(=O)(=O)[S-],
,,,THJ:A:602,invalid,,,,,[O-]S(=O)(=O)[S-],
,,,THJ:B:602,invalid,,,,,[O-]S(=O)(=O)[S-],
,,1K3C,,,,,,,
,,,ADP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:999,valid,,,,,F[Al](F)F,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,PYR:A:542,valid,,,,,CC(=O)C(=O)O,
,,6ASI,,,,,,,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,03S:A:604,valid,,,,,CS(=O)(=O)O,
,,2OLR,,,,,,,
,,,ATP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:544,invalid,,,,,[Cl-],
,,,CO2:A:1656,invalid,,,,,C(=O)=O,
,,,CO2:A:1657,invalid,,,,,C(=O)=O,
,,,MG:A:543,Part of Protein,,,,,[Mg+2],
,,1AQ2,,,,,,,
,,,ATP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:544,Part of Protein,,,,,[Mg+2],
,,,MN:A:543,Part of Protein,,,,,[Mn+2],
,,,PYR:A:542,valid,,,,,CC(=O)C(=O)O,
,,6ASN,,,,,,,
,,,03S:A:604,valid,,,,,CS(=O)(=O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1YTM,,,,,,,
,,,ATP:A:541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1541,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:1998,Part of Protein,,,,,[Mg+2],
,,,MN:A:999,Part of Protein,,,,,[Mn+2],
,,,MN:B:1999,Part of Protein,,,,,[Mn+2],
,,,OXD:A:543,valid,,,,,C(=O)(C(=O)O)O,
,,,OXD:B:1543,valid,,,,,C(=O)(C(=O)O)O,
,Family. Representative Entry is ,1XKV,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,GOL:B:4001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4002,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3006,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1YLH,,,,,,,
,,,BME:A:593,invalid,,,,,C(CS)O,
,,,BME:A:594,invalid,,,,,C(CS)O,
,,,DT3:A:592,Part of Protein,,,,,C([C@H]([C@@H](CS(=O)(=O)[O-])O)O)S,
,,,FMT:A:900,invalid,,,,,C(=O)O,
,,,FMT:A:901,invalid,,,,,C(=O)O,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,MN:A:560,Part of Protein,,,,,[Mn+2],
,,,PO4:A:921,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:922,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:931,valid,,,,,CC(=O)C(=O)O,
3.13.1.-,,,,,,,,,
,Family. Representative Entry is ,1INN,,,,,,,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:167,Part of Protein,,,,,[Zn+2],
,,,ZN:B:167,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1VJE,,,,,,,
,,,MSE:A:301,valid,,,,,C[Se]CC[C@@H](C(=O)O)N,
,,,MSE:A:401,valid,,,,,C[Se]CC[C@@H](C(=O)O)N,
,,,ZN:A:167,Part of Protein,,,,,[Zn+2],
,,,ZN:B:167,Part of Protein,,,,,[Zn+2],
5.4.2.6,,,,,,,,,
,Family. Representative Entry is ,1Z4O,,,,,,,
,,,GL1:A:1220,valid,Ki,=,30,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,GL1:B:1221,valid,Ki,=,30,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,2WF8,,,,,,,
,,,BEF:A:1221,invalid,,,,,[Be-](F)(F)F,
,,,BG6:A:1224,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G1P:A:1223,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:1222,Part of Protein,,,,,[Mg+2],
,,,NA:A:1225,Part of Protein,,,,,[Na+],
,,,NA:A:1226,Part of Protein,,,,,[Na+],
,,,PEG:A:1227,invalid,,,,,C(COCCO)O,
,,,PEG:A:1228,invalid,,,,,C(COCCO)O,
,,,PEG:A:1229,invalid,,,,,C(COCCO)O,
,,5OLY,,,,,,,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:G:302,invalid,,,,,[Mg+2],
,,,MG:G:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,G6P MGF:G:303,valid,,,,,,
,,,MGF G6P:A:301,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(O[Mg-2](F)(F)F)O1)([O-])[O-],
,,2WF9,,,,,,,
,,,BEF:A:1225,invalid,,,,,[Be-](F)(F)F,
,,,BG6:A:1224,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:1223,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MG:A:1222,Part of Protein,,,,,[Mg+2],
,,,NA:A:1226,invalid,,,,,[Na+],
,,4C4R,,,,,,,
,,,MGF:A:1221,invalid,,,,,F[Mg-](F)F,
,,,MG:A:1219,Part of Protein,,,,,[Mg+2],
,,,YO5:A:1220,valid,Kd,=,1.3,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O,
,,6YDM,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,PDO:A:304,invalid,,,,,C(CO)CO,
,,,TRS:B:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,5OLX,,,,,,,
,,,BG6 MGF:A:302,valid,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,2WF5,,,,,,,
,,,BG6 MGF:A:1831,valid,,,,,,
,,,MG:A:2801,Part of Protein,,,,,[Mg+2],
,,,MG:A:2833,Part of Protein,,,,,[Mg+2],
,,4C4S,,,,,,,
,,,GRX:A:1219,valid,Kd,=,0.66,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O,
,,,MG:A:2833,Part of Protein,,,,,[Mg+2],
,,,MGF:A:1220,invalid,,,,,F[Mg-](F)F,
,,6YDJ,,,,,,,
,,,BG6:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NA:A:304,invalid,,,,,[Na+],
,,,MGF:A:302,invalid,,,,,F[Mg-](F)F,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,PDO:A:306,invalid,,,,,C(CO)CO,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,4C4T,,,,,,,
,,,ALF:A:1219,invalid,,,,,F[Al-](F)(F)F,
,,,GRX:A:1218,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O,
,,,MG:A:2833,Part of Protein,,,,,[Mg+2],
,,1O03,,,,,,,
,,,G16:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,1Z4N,,,,,,,
,,,GL1:A:1220,valid,Ki,=,30,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,GL1:B:1221,valid,Ki,=,30,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
1.14.11.27,,,,,,,,,
,Family. Representative Entry is ,3OPT,,,,,,,
,,,AKG:A:501,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:500,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4QXB,,,,,,,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,OGA:C:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4QX7,,,,,,,
,,,AKG:A:701,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:701,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:702,Part of Protein,,,,,[Ni+2],
,,,NI:C:702,Part of Protein,,,,,[Ni+2],
,,4QX8,,,,,,,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,AKG:C:602,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:602,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,4TN7,,,,,,,
,,,SIN:A:603,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:602,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE:A:601,Part of Protein,,,,,[Fe+3],
,,,FE:C:601,Part of Protein,,,,,[Fe+3],
,,,NO:A:602,invalid,,,,,[N]=O,
,,4QXC,,,,,,,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,OGA:C:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4QXH,,,,,,,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,OGA:C:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4QWN,,,,,,,
,,,AKG:A:701,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:701,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:702,Part of Protein,,,,,[Ni+2],
,,,NI:C:702,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,6F4T,,,,,,,
,,,CYS ALA ARG ALA TYR:B:139,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,OGA:A:502,valid,ic50,=,6,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,TRS:A:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6AX3,,,,,,,
,,,2MR:A:501,valid,,,,,CN/C(=N/C)/NCCC[C@@H](C(=O)O)N,
,,,AKG:A:502,invalid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,6AVS,,,,,,,
,,,NMM:A:502,valid,,,,,[H]/N=C(/NC)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6I9L,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,PD2:A:502,valid,,,,,c1cnc(cc1C(=O)O)C(=O)O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6F4O,,,,,,,
,,,SIN:A:502,valid,,,,,C(CC(=O)O)C(=O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4GJY,,,,,,,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,6I9M,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,2HG:A:502,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)O,
,,6F4R,,,,,,,
,,,CYS ALA ARG ALA TYR:B:139,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OGA:A:502,valid,ic50,=,6,uM,C(C(=O)O)NC(=O)C(=O)O,
,,6F4S,,,,,,,
,,,CYS ALA ARG ALA TYR:B:139,invalid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,4GJZ,,,,,,,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BME:A:503,invalid,,,,,C(CS)O,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,6I9N,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,S2G:A:502,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3N9O,,,,,,,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,OGA:A:4,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3N9Q,,,,,,,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,OGA:A:4,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3N9P,,,,,,,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,OGA:A:4,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3N9N,,,,,,,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,OGA:A:4,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3PUR,,,,,,,
,,,2HG:A:1000,valid,Ki,=,10.87,mM,C(CC(=O)O)[C@H](C(=O)O)O,
,,,2HG:C:1000,valid,Ki,=,10.87,mM,C(CC(=O)O)[C@H](C(=O)O)O,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,FE2:C:1,Part of Protein,,,,,[Fe+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,3PUQ,,,,,,,
,,,AKG:A:4,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:4,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1,Part of Protein,,,,,[Fe+2],
,,,FE2:C:1,Part of Protein,,,,,[Fe+2],
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:5,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
2.7.3.2,,,,,,,,,
,Family. Representative Entry is ,1VRP,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IOM:B:402,valid,,,,,CN(CC(=O)O)C(N)N,
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,NO3:B:405,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,3B6R,,,,,,,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:604,invalid,,,,,CC(=O)[O-],
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CRN:B:603,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,MG:B:600,invalid,,,,,[Mg+2],
,,,NO3:B:602,invalid,,,,,[N+](=O)([O-])[O-],
,,3DRB,,,,,,,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:500,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1U6R,,,,,,,
,,,ADP:A:1801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IOM:B:1601,valid,,,,,CN(CC(=O)O)C(N)N,
,,,MG:A:1802,invalid,,,,,[Mg+2],
,,,MG:B:1502,invalid,,,,,[Mg+2],
,,,NO3:B:1701,invalid,,,,,[N+](=O)([O-])[O-],
1.4.1.21,,,,,,,,,
,Family. Representative Entry is ,2DC1,,,,,,,
,,,CIT:A:1585,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2585,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAD:A:242,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1242,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.1.1.204,,,,,,,,,
,Family. Representative Entry is ,1V97,,,,,,,
,,,20161_20162_20163_20164_ FYX:A:3004,valid,Kd,=,5.3,nM,,
,,,20298_20299_20300_20301_ FYX:B:4004,valid,Kd,=,5.3,nM,,
,,,ACY:A:3007,invalid,,,,,CC(=O)O,
,,,ACY:B:4007,invalid,,,,,CC(=O)O,
,,,CA:A:3008,Part of Protein,,,,,[Ca+2],
,,,CA:B:4008,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5008,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:3003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3BDJ,,,,,,,
,,,141:A:5101,valid,,,,,C1=C2C(=NC(=O)NC2=O)NN1,
,,,141:B:5102,valid,,,,,C1=C2C(=NC(=O)NC2=O)NN1,
,,,CA:A:5301,Part of Protein,,,,,[Ca+2],
,,,CA:B:5302,Part of Protein,,,,,[Ca+2],
,,,CO3:A:5201,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:5202,invalid,,,,,C(=O)([O-])[O-],
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:5005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5004,invalid,,,,,C(C(CO)O)O,
,,,MOW:A:3004,invalid,,,,,O=[Mo]S,
,,,MOW:B:4004,invalid,,,,,O=[Mo]S,
,,,MTE:A:3003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3UNC,,,,,,,
,,,20192_20193_20194_20195_:A:1336,invalid,,,,,,
,,,20362_20363_20364_20365_:B:1336,invalid,,,,,,
,,,CA:A:1351,Part of Protein,,,,,[Ca+2],
,,,CA:B:1353,Part of Protein,,,,,[Ca+2],
,,,CO3:A:1350,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1352,invalid,,,,,C(=O)([O-])[O-],
,,,FAD:A:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1348,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1349,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1348,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1349,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1350,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1351,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SAL:A:1338,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1338,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,1FO4,,,,,,,
,,,20167_20168_20169_20170_:A:3004,invalid,,,,,,
,,,20279_20280_20281_20282_:B:4004,invalid,,,,,,
,,,CA:A:4009,Part of Protein,,,,,[Ca+2],
,,,CA:B:4019,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4008,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:3003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SAL:A:3005,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:4005,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,3UNA,,,,,,,
,,,20106_20107_20108_20109_:A:1336,invalid,,,,,,
,,,20281_20282_20283_20284_:B:1336,invalid,,,,,,
,,,CA:A:1349,Part of Protein,,,,,[Ca+2],
,,,CA:B:1346,Part of Protein,,,,,[Ca+2],
,,,CO3:A:1339,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1339,invalid,,,,,C(=O)([O-])[O-],
,,,FAD:A:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1348,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,NAD:A:1338,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1338,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SAL:A:1340,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1340,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,3AX9,,,,,,,
,,,BCT:A:1337,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1337,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:1336,Part of Protein,,,,,[Ca+2],
,,,CA:B:1336,Part of Protein,,,,,[Ca+2],
,,,FAD:A:1335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,,,SAL:A:1341,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1340,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,XAX:A:3003,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O,
,,,XAX:B:3003,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O,
,,1VDV,,,,,,,
,,,20168_20169_20170_20171_:A:3004,invalid,,,,,,
,,,20351_20352_20353_20354_:B:4004,invalid,,,,,,
,,,ACY:A:5201,invalid,,,,,CC(=O)O,
,,,ACY:B:5202,invalid,,,,,CC(=O)O,
,,,CA:A:5301,Part of Protein,,,,,[Ca+2],
,,,CA:A:5304,Part of Protein,,,,,[Ca+2],
,,,CA:B:5302,Part of Protein,,,,,[Ca+2],
,,,CA:B:5303,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5016,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5017,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5018,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5019,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5012,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5013,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5014,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5015,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5020,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5021,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5022,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:3003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4003,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,YSH:A:5101,valid,,,,,CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O,
,,,YSH:B:5102,valid,,,,,CC(C)(C)COc1ccc(cc1C#N)n2cc(cn2)C(=O)O,
,,3AX7,,,,,,,
,,,BCT:A:1337,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1337,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:1341,Part of Protein,,,,,[Ca+2],
,,,CA:B:1340,Part of Protein,,,,,[Ca+2],
,,,FAD:A:1335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,,,SAL:A:1336,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1336,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,XAX:A:3003,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O,
,,,XAX:B:3003,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)(=S)(S2)O)OP(=O)(O)O,
,,3AMZ,,,,,,,
,,,20186_20187_20188_ URC:A:1338,invalid,,,,,,
,,,20341_20342_20343_ URC:B:1337,invalid,,,,,,
,,,BCT:A:1334,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1334,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:3008,Part of Protein,,,,,[Ca+2],
,,,CA:B:4008,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1336,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1335,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:1337,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:1336,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,NAI:A:1333,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1333,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3AM9,,,,,,,
,,,20161_20162_20163_:A:1334,invalid,,,,,,
,,,20277_20278_20279_:B:1334,invalid,,,,,,
,,,BCT:A:1904,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1904,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:1336,Part of Protein,,,,,[Ca+2],
,,,CA:A:3008,Part of Protein,,,,,[Ca+2],
,,,CA:B:1337,Part of Protein,,,,,[Ca+2],
,,,CA:B:4008,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FYO:A:1335,valid,,,,,C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N,
,,,FYO:B:1335,valid,,,,,C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC(=C3)C#N,
,,,GOL:B:1336,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1338,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:1333,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:1333,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3UNI,,,,,,,
,,,20036_20037_20038_20039_:A:1336,invalid,,,,,,
,,,20208_20209_20210_20211_:B:1336,invalid,,,,,,
,,,CA:A:1345,Part of Protein,,,,,[Ca+2],
,,,CA:B:1346,Part of Protein,,,,,[Ca+2],
,,,CO3:A:1343,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1344,invalid,,,,,C(=O)([O-])[O-],
,,,FAD:A:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1333,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1334,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,MTE:A:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:1335,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,NAI:A:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SAL:A:1344,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1345,valid,,,,,c1ccc(c(c1)C(=O)O)O,
4.3.99.3,,,,,,,,,
,Family. Representative Entry is ,5TH5,,,,,,,
,,,MET:C:303,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:D:303,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:303,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:303,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,7C5:A:302,valid,,,,,c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,7C5:B:302,valid,,,,,c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,7C5:C:302,valid,,,,,c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,7C5:D:302,valid,,,,,c1c(nc2c(n1)NC(=NC2=O)N)C(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,4NJH,,,,,,,
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,2K8:B:303,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:A:303,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,4NJI,,,,,,,
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,2K8:B:303,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:A:303,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,4NJK,,,,,,,
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2KA:A:303,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O,
,,,2KA:B:303,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C(=O)O,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
5.4.2.2,,,,,,,,,
,Family. Representative Entry is ,6MLF,,,,,,,
,,,JV4:A:501,valid,Ki,=,53,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)F,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6NPX,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,M6P:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,5KL0,,,,,,,
,,,G16:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6NQG,,,,,,,
,,,GPM:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6NNU,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,G16:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,6NOL,,,,,,,
,,,M1P:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,6NNN,,,,,,,
,,,G1P:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,6NOQ,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,M1P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,6N1E,,,,,,,
,,,QIF:A:502,valid,,,,,C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,6NNO,,,,,,,
,,,G1P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6NP8,,,,,,,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,M6P:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,6NNS,,,,,,,
,,,G6P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6NNP,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,G6P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,6MLH,,,,,,,
,,,GPM:A:501,valid,Ki,=,213,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)CP(=O)(O)O)O)O)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6MLW,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,JVA:A:502,valid,Ki,=,184,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O,
,,6NNT,,,,,,,
,,,G16:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6MNV,,,,,,,
,,,JVS:A:501,valid,Ki,=,428,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(CF)OP(=O)(O)O)O)O)O)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,5BMP,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,G1P:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,Family. Representative Entry is ,6UIQ,,,,,,,
,,,G6P:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
2.7.1.143,,,,,,,,,
,Family. Representative Entry is ,3B1Q,,,,,,,
,,,ACT:A:327,invalid,,,,,CC(=O)[O-],
,,,ACT:A:328,invalid,,,,,CC(=O)[O-],
,,,ACT:A:329,invalid,,,,,CC(=O)[O-],
,,,ACT:A:330,invalid,,,,,CC(=O)[O-],
,,,ACT:B:327,invalid,,,,,CC(=O)[O-],
,,,ACT:C:327,invalid,,,,,CC(=O)[O-],
,,,ACT:C:328,invalid,,,,,CC(=O)[O-],
,,,ACT:C:329,invalid,,,,,CC(=O)[O-],
,,,ACT:D:327,invalid,,,,,CC(=O)[O-],
,,,ACT:E:327,invalid,,,,,CC(=O)[O-],
,,,ACT:E:328,invalid,,,,,CC(=O)[O-],
,,,ACT:E:329,invalid,,,,,CC(=O)[O-],
,,,ACT:E:330,invalid,,,,,CC(=O)[O-],
,,,ACT:E:331,invalid,,,,,CC(=O)[O-],
,,,ACT:F:327,invalid,,,,,CC(=O)[O-],
,,,ACT:F:328,invalid,,,,,CC(=O)[O-],
,,,NA:A:332,Part of Protein,,,,,[Na+],
,,,NA:A:333,Part of Protein,,,,,[Na+],
,,,NA:A:334,Part of Protein,,,,,[Na+],
,,,NA:B:330,Part of Protein,,,,,[Na+],
,,,NA:B:331,Part of Protein,,,,,[Na+],
,,,NA:B:332,Part of Protein,,,,,[Na+],
,,,NA:C:332,Part of Protein,,,,,[Na+],
,,,NA:C:333,Part of Protein,,,,,[Na+],
,,,NA:D:328,Part of Protein,,,,,[Na+],
,,,NA:E:333,Part of Protein,,,,,[Na+],
,,,NA:E:334,Part of Protein,,,,,[Na+],
,,,NA:E:335,Part of Protein,,,,,[Na+],
,,,NA:E:336,Part of Protein,,,,,[Na+],
,,,NA:F:329,Part of Protein,,,,,[Na+],
,,,NA:F:330,Part of Protein,,,,,[Na+],
,,,NOS:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:E:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:F:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,P33:A:331,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:B:328,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:B:329,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:C:330,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:C:331,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:E:332,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,3B1P,,,,,,,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:327,Part of Protein,,,,,[Na+],
,,,NOS:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,3B1R,,,,,,,
,,,AMP:A:501,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:501,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:501,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:501,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:501,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:F:502,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP MG:F:501,valid,,,,,P(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)([O-])[O-].[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:313,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,3B1N,,,,,,,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:327,invalid,,,,,C(C(CO)O)O,
,,,MZR:A:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N,
,,,MZR:B:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
2.5.1.16,,,,,,,,,
,Family. Representative Entry is ,2I7C,,,,,,,
,,,1PG:A:701,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:702,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,AAT:A:801,valid,ic50,=,8.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
,,,AAT:B:802,valid,ic50,=,8.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
,,,AAT:C:803,valid,ic50,=,8.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,2PWP,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SPD:A:401,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:401,valid,,,,,C(CCNCCCN)CN,
,,,SPD:C:401,valid,,,,,C(CCNCCCN)CN,
,,2HTE,,,,,,,
,,,1PG:A:6000,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:C:6001,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,MTA:A:4000,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:4001,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:4002,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:B:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNX:A:3002,invalid,,,,,*,
,,,UNX:A:3004,invalid,,,,,*,
,,,UNX:A:3008,invalid,,,,,*,
,,,UNX:A:3009,invalid,,,,,*,
,,,UNX:A:3010,invalid,,,,,*,
,,,UNX:B:3003,invalid,,,,,*,
,,,UNX:B:3006,invalid,,,,,*,
,,,UNX:B:3011,invalid,,,,,*,
,,,UNX:B:3012,invalid,,,,,*,
,,,UNX:B:3013,invalid,,,,,*,
,,,UNX:C:3001,invalid,,,,,*,
,,,UNX:C:3005,invalid,,,,,*,
,,,UNX:C:3007,invalid,,,,,*,
,Family. Representative Entry is ,4YUW,,,,,,,
,,,S4M:B:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,4JU:B:302,valid,ic50,=,1.7,uM,CC1CCC(CC1)N,
,,,4JU:A:302,valid,ic50,=,1.7,uM,CC1CCC(CC1)N,
,,4YUX,,,,,,,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,4JT:A:502,valid,ic50,=,180,uM,c1ccc2c(c1)N=C(CS2)N,
,,,4JT:B:502,valid,ic50,=,180,uM,c1ccc2c(c1)N=C(CS2)N,
,,4YV2,,,,,,,
,,,S4M:B:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,4K3:B:303,invalid,,,,,c1ccc(cc1)NC(=O)CCS,
,,,4K3:B:302,invalid,,,,,c1ccc(cc1)NC(=O)CCS,
,,4YV1,,,,,,,
,,,4K2:D:302,valid,ic50,=,830,uM,c1cc2cccnc2c(c1)OC(=O)N3CCCCC3,
,,,4K2:B:302,valid,ic50,=,830,uM,c1cc2cccnc2c(c1)OC(=O)N3CCCCC3,
,,,S4M:B:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:D:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5B1S,,,,,,,
,,,S4M:D:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,BSX:A:502,valid,ic50,=,124,uM,c1ccc(c(c1)CCN)F,
,,,BSX:D:502,valid,ic50,=,124,uM,c1ccc(c(c1)CCN)F,
,,,BSX:B:502,valid,ic50,=,124,uM,c1ccc(c(c1)CCN)F,
,,,BSX:C:502,valid,ic50,=,124,uM,c1ccc(c(c1)CCN)F,
,,4YUZ,,,,,,,
,,,4JV:D:302,valid,ic50,=,9.1,uM,Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N,
,,,4JV:B:302,valid,ic50,=,9.1,uM,Cc1ccc(cc1)COc2cccc3c2c(nc(n3)N)N,
,,,S4M:B:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:D:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4YUV,,,,,,,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4YV0,,,,,,,
,,,S4M:B:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:D:301,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,4JW:B:302,valid,ic50,=,530,uM,CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2,
,,,4JW:D:302,valid,ic50,=,530,uM,CN(c1ccccc1)C(=O)[C@@H]2COc3ccccc3O2,
,,4YUY,,,,,,,
,,,1SQ:B:502,valid,ic50,=,460,uM,c1ccc2c(c1)ccnc2N,
,,,1SQ:A:502,valid,ic50,=,460,uM,c1ccc2c(c1)ccnc2N,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6QMM,,,,,,,
,,,PUT:A:301,valid,,,,,C(CCN)CN,
,,,PXN:B:303,valid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,SPD:B:301,valid,,,,,C(CCNCCCN)CN,
,,,MTA:B:302,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6O65,,,,,,,
,,,HAI:F:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:H:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:G:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:C:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:D:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:E:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:B:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:A:402,invalid,,,,,C1CCC(CC1)[NH3+],
,,,S4M:D:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:E:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:F:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:H:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:G:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:401,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:E:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:E:403,invalid,,,,,C(COCCO)O,
,,,PEG:G:403,invalid,,,,,C(COCCO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2O07,,,,,,,
,,,MTA:A:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SPD:A:601,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:601,valid,,,,,C(CCNCCCN)CN,
,,2O05,,,,,,,
,,,MTA:A:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3RW9,,,,,,,
,,,DSH:A:303,valid,Kd,=,1.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N,
,,,DSH:B:303,valid,Kd,=,1.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N,
,,2O0L,,,,,,,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:A:502,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2O06,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MTA:A:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:501,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PUT:A:601,valid,,,,,C(CCN)CN,
,,,PUT:B:601,valid,,,,,C(CCN)CN,
,Family. Representative Entry is ,2PT9,,,,,,,
,,,1PG:A:701,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:C:702,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,2MH:A:401,valid,ic50,=,35,uM,CC1CCC(CC1)N,
,,,2MH:B:402,valid,ic50,=,35,uM,CC1CCC(CC1)N,
,,,2MH:C:403,valid,ic50,=,35,uM,CC1CCC(CC1)N,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:502,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:503,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PT6,,,,,,,
,,,1PG:A:701,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:C:702,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,S4M:A:501,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:B:502,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,S4M:C:503,valid,,,,,C[S@@H](CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1JQ3,,,,,,,
,,,AAT:A:800,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
,,,AAT:C:801,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
,,,AAT:D:802,valid,ic50,=,0.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(=CCN)CCCCCN)O)O)N,
4.3.1.7,,,,,,,,,
,Family. Representative Entry is ,3ANY,,,,,,,
,,,2A3:A:602,valid,,,,,C[C@H](CO)N,
,,,2A3:C:602,valid,,,,,C[C@H](CO)N,
,,,B12:B:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:D:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,3AO0,,,,,,,
,,,2A1:A:602,valid,,,,,C[C@@H](CO)N,
,,,2A1:C:602,valid,,,,,C[C@@H](CO)N,
,,,B12:B:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:D:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,NA:C:454,invalid,,,,,[Na+],
,Family. Representative Entry is ,5YSN,,,,,,,
,,,5AD:C:501,invalid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:501,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,B12:D:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,5YSR,,,,,,,
,,,5AD:C:501,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:501,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,B12:D:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
2.3.2.27,,,,,,,,,
,Family. Representative Entry is ,6MYD,,,,,,,
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU PRO VAL GLU THR THR ASP TYR:D:377,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCC(=O)[O-])CCC1)C(C)C)CCC(=O)[O-])C(O)C)C(O)C)CC(=O)[O-])Cc1ccc(O)cc1,
,,,GLU PRO VAL GLU THR THR ASP TYR:B:377,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCC(=O)[O-])CCC1)C(C)C)CCC(=O)[O-])C(O)C)C(O)C)CC(=O)[O-])Cc1ccc(O)cc1,
,Family. Representative Entry is ,5XPI,,,,,,,
,,,8C3:A:301,valid,Kd,=,5.2,uM,CCN(CC)CCCNC(=O)CN1C(=O)c2cc3c(n2C(=N1)C)ccs3,
,,3DB3,,,,,,,
,,,THR ALA ARG M3L SER THR:B:8,valid,Kd,=,211,uM,O=C(NC(C=O)CO)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C,
,Family. Representative Entry is ,6QTS,,,,,,,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACE ARG TYR ALA VAL VAL PRO ASP GLU:B:406,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C)C(C)C,
,,6QTT,,,,,,,
,,,MLI:A:702,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:701,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,ACE GLU LEU LEU MET VAL PRO ASP MET TYR:B:28,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc2ccc(O)cc2)CCSC)CC(=O)[O-])CCC1)C(C)C)C,
,,6QTQ,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACE ARG TYR ALA VAL VAL PRO ASP GLU:B:406,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C)C(C)C,
,,6QTX,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,ACE GLY PHE GLY VAL VAL PRO SER PHE TYR:B:287,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)Cc2ccccc2)CO)CCC1)C(C)C)C(NC(=O)CNC(=O)C(NC(=O)CN)Cc1ccccc1)C(C)C,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QTU,,,,,,,
,,,MLI:A:702,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:701,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ACE GLU HIS PHE ILE VAL PRO ASP LEU TYR:B:241,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C(N)Cc1nc[nH]c1)Cc1ccccc1)C(CC)C,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6Y5P,,,,,,,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:708,Part of Protein,,,,,[Zn+2],
,,,ZN:B:704,Part of Protein,,,,,[Zn+2],
,,,ZN:B:705,Part of Protein,,,,,[Zn+2],
,,,ZN:A:709,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5OQW,,,,,,,
,,,A4E:A:403,valid,ic50,<,40,nM,C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C,
,,,A4E:B:402,valid,ic50,<,40,nM,C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(c(n4)CO)Cc5ccc(cc5)F)(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,6H6R,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,FUE:A:403,valid,,,,,C[C@@H]1CN([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c5c4cc(cn5)Cc6ccc(cc6)F)(C)C,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5M6E,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,7HT:A:404,valid,,,,,Cc1cnn(c1)C[C@H]2C[NH2+][C@@H](CN2CC(=O)N3CC(c4c3cc(nc4)Cc5ccccc5)(C)C)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,5M6F,,,,,,,
,,,7HU:A:403,valid,ic50,=,220,nM,C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(cn3)Cc4ccccc4)(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5M6M,,,,,,,
,,,7H8:A:403,valid,ic50,=,44,nM,C[C@@H]1CN([C@H](C[NH2+]1)CN2CCCC2=O)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5M6H,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,7J6:A:403,valid,ic50,=,150,nM,C[C@@H]1CN([C@H](C[NH2+]1)C(=O)N2CCOCC2)CC(=O)N3CC(c4c3cc(cn4)Cc5ccccc5)(C)C,
,Family. Representative Entry is ,6GJW,,,,,,,
,,,F2H:D:102,valid,Kd,=,9,uM,c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-],
,,,F2H:C:102,valid,Kd,=,9,uM,c1cc(cc(c1)NC(=O)Nc2cccc(c2)C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)Nc5ccc(c6c5c(ccc6)S(=O)(=O)[O-])S(=O)(=O)[O-],
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
1.14.15.6,,,,,,,,,
,Family. Representative Entry is ,3NA0,,,,,,,
,,,2DC:A:602,valid,,,,,CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O,
,,,2DC:B:602,valid,,,,,CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O,
,,,FES:C:150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3N9Y,,,,,,,
,,,CLR:A:602,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:B:602,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,FES:C:150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:151,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3NA1,,,,,,,
,,,FES:C:150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:151,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HCD:A:602,valid,,,,,CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,
,,,HCD:B:602,valid,,,,,CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3N9Z,,,,,,,
,,,FES:C:150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:151,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HC9:A:602,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HC9:B:602,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3MZS,,,,,,,
,,,HC9:A:501,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HC9:B:501,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HC9:C:501,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HC9:D:501,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPA:A:502,invalid,,,,,CC(C)O,
,,,IPA:B:502,invalid,,,,,CC(C)O,
,,,IPA:C:502,invalid,,,,,CC(C)O,
,,,IPA:D:502,invalid,,,,,CC(C)O,
1.1.1.209,,,,,,,,,
,Family. Representative Entry is ,3CV6,,,,,,,
,,,BME:A:352,invalid,,,,,C(CS)O,
,,,BME:A:353,invalid,,,,,C(CS)O,
,,,BME:B:352,invalid,,,,,C(CS)O,
,,,BME:B:354,invalid,,,,,C(CS)O,
,,,BME:B:355,invalid,,,,,C(CS)O,
,,,HXS:A:351,valid,ic50,=,50,uM,CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O,
,,,HXS:B:351,valid,ic50,=,50,uM,CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2HEJ,,,,,,,
,,,BME:A:1001,invalid,,,,,C(CS)O,
,,,BME:B:1002,invalid,,,,,C(CS)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,MPD:A:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:902,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2IPF,,,,,,,
,,,BME:A:324,invalid,,,,,C(CS)O,
,,,BME:A:325,invalid,,,,,C(CS)O,
,,,BME:A:5,invalid,,,,,C(CS)O,
,,,BME:B:324,invalid,,,,,C(CS)O,
,,,BME:B:325,invalid,,,,,C(CS)O,
,,,BME:B:326,invalid,,,,,C(CS)O,
,,,EDO:A:326,invalid,,,,,C(CO)O,
,,,EDO:A:327,invalid,,,,,C(CO)O,
,,,EDO:B:327,invalid,,,,,C(CO)O,
,,,FFA:A:3,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,FFA:B:4,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TRS:A:328,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2IPG,,,,,,,
,,,BME:A:324,invalid,,,,,C(CS)O,
,,,BME:A:325,invalid,,,,,C(CS)O,
,,,BME:B:324,invalid,,,,,C(CS)O,
,,,BME:B:325,invalid,,,,,C(CS)O,
,,,EDO:A:326,invalid,,,,,C(CO)O,
,,,EDO:A:327,invalid,,,,,C(CO)O,
,,,EDO:B:326,invalid,,,,,C(CO)O,
,,,FFA:A:3,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,FFA:B:4,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2P5N,,,,,,,
,,,MPD:A:1001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDP:A:1350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
2.7.7.3,,,,,,,,,
,Family. Representative Entry is ,6CHP,,,,,,,
,,,F0Y:A:201,valid,Kd,=,0.075,nM,Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC,
,,,F0Y:B:201,valid,Kd,=,0.075,nM,Cc1ccc2c(n1)[nH]c(n2)N[C@H](CC#N)c3cccc(c3)CC4CCN(CC4)C(=O)OC,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CHO,,,,,,,
,,,F14:B:201,valid,ic50,=,167,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC,
,,,F14:A:201,valid,ic50,=,167,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](C)c3cccc(c3)Oc4ccc(cc4)OC,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CHL,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EXJ:B:201,valid,Kd,=,9,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl,
,,,EXJ:A:201,valid,Kd,=,9,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl,
,,,DMS:B:205,invalid,,,,,CS(=O)C,
,,6CCN,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EXS:A:201,valid,ic50,=,30,uM,CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O,
,,,EXS:B:201,valid,ic50,=,30,uM,CC(C)(CO)[C@H](C(=O)NCCc1[nH]c2c(n1)cccc2O)O,
,,6CCM,,,,,,,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EXP:A:201,valid,ic50,=,5.6,uM,CC1=Nc2nc(nn2C(=O)C1)NCc3cccc(c3)Br,
,,6CHN,,,,,,,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F1D:A:201,valid,Kd,=,11,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC,
,,,F1D:B:201,valid,Kd,=,11,nM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)OC4CCN(CC4)C(=O)OC,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,6B7C,,,,,,,
,,,CWP:B:201,valid,Kd,=,7.2,uM,Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C,
,,,CWP:A:201,valid,Kd,=,7.2,uM,Cc1ccc2c(n1)[nH]c(n2)NCc3cc(nn3C)C,
,,,POP:B:206,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:205,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:B:204,invalid,,,,,C(COCCO)O,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:208,invalid,,,,,CS(=O)C,
,,,DMS:B:207,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,6B7A,,,,,,,
,,,CWM:B:201,valid,Kd,=,32,uM,Cc1[nH]c2c(n1)cccc2O,
,,,CWM:A:201,valid,Kd,=,32,uM,Cc1[nH]c2c(n1)cccc2O,
,,,POP:B:206,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,CL:A:206,invalid,,,,,[Cl-],
,,6CCL,,,,,,,
,,,EXG:A:201,valid,ic50,=,273,uM,c1ccc(cc1)Cn2cnc3c2cccn3,
,,,EXG:B:201,valid,ic50,=,273,uM,c1ccc(cc1)Cn2cnc3c2cccn3,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,1H1T,,,,,,,
,,,COA:A:1160,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:B:1163,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GN8,,,,,,,
,,,ATP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:802,invalid,,,,,[Mn+2],
,,,MN:B:801,invalid,,,,,[Mn+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CCK,,,,,,,
,,,EXJ:A:201,valid,ic50,=,0.037,uM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl,
,,,EXJ:B:201,valid,ic50,=,0.037,uM,CC1=Nc2nc(nn2C(=O)C1)N[C@H](CC#N)c3cccc(c3)Cl,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1B6T,,,,,,,
,,,COD:B:3000,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CHQ,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,F0V:A:201,valid,ic50,=,4.4,uM,Cc1ccc(cc1Cl)Nc2cc(nc3[n+]2nc([nH]3)Cc4ccccc4)C,
,,6CCQ,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EX7:B:201,valid,ic50,=,0.25,uM,c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O,
,,,EX7:A:201,valid,ic50,=,0.25,uM,c1cc(cc(c1)Cl)CCc2[nH]c3c(n2)cccc3O,
,,6CCS,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EXD:B:201,valid,ic50,=,230,uM,c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F,
,,,EXD:A:201,valid,ic50,=,230,uM,c1cc2c(c(c1)O)[nH]c(n2)C(F)(F)F,
,,6CKW,,,,,,,
,,,F6D:A:201,valid,Kd,=,0.83,nM,Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N,
,,,F6D:B:201,valid,Kd,=,0.83,nM,Cc1cc(n2c(n1)nc(n2)N[C@H](CC#N)c3cccc(c3)Cl)NC[C@H](c4ccccc4OC)N,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,DMS:B:206,invalid,,,,,CS(=O)C,
,,,DMS:B:208,invalid,,,,,CS(=O)C,
,,,PG4:B:209,invalid,,,,,C(COCCOCCOCCO)O,
,,6B7D,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:B:206,invalid,,,,,[K+],
,,,K:B:207,invalid,,,,,[K+],
,,,CWG:A:201,valid,Kd,=,52,uM,Cc1c(c(nnc1c2ccc(cc2)Cl)OC)C,
,,6CCO,,,,,,,
,,,EXV:A:201,valid,ic50,=,0.051,uM,c1cc(cc(c1)C(=O)O)[C@H]2CCC[C@@H]2c3[nH]c4c(n3)cccc4O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B7B,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:205,invalid,,,,,CS(=O)C,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,POP:B:204,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,CWJ:A:201,valid,Kd,=,1280,uM,Cc1cc2cc(ccc2[nH]1)OC,
,,,CWJ:B:201,valid,Kd,=,1280,uM,Cc1cc2cc(ccc2[nH]1)OC,
,,1QJC,,,,,,,
,,,PNS:B:1163,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CHM,,,,,,,
,,,F1V:A:201,valid,ic50,=,199,uM,CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,F1V:B:201,valid,ic50,=,199,uM,CC(C)(C)C(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B7E,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:206,invalid,,,,,CS(=O)C,
,,,CWA:B:201,valid,Kd,=,28,uM,CC1([C@@H](c2ccccc2C(=O)O1)n3cncc3C(F)F)C,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3ND6,,,,,,,
,,,ATP:A:961,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:962,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:963,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:964,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:965,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:966,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3ND7,,,,,,,
,,,PNY:A:501,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNY:B:502,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNY:C:503,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNY:D:504,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNY:E:505,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNY:F:506,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3UC5,,,,,,,
,,,ATP:A:1440,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3NBK,,,,,,,
,,,NI:A:162,Part of Protein,,,,,[Ni+2],
,,,NI:C:162,Part of Protein,,,,,[Ni+2],
,,,PNS:A:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:B:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:C:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,3PNB,,,,,,,
,,,COA:A:162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:162,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1OD6,,,,,,,
,,,PNS:A:1161,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5O0B,,,,,,,
,,,9FE:A:201,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,,9FE:B:202,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,,9FE:B:201,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,,9FE:A:202,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,,9FE:C:202,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,,9FE:C:201,valid,Kd,=,66,uM,c1cc2c(cc1C(=O)O)c(n[nH]2)Br,
,,5O0A,,,,,,,
,,,9FH:C:201,valid,Kd,=,0.58,mM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,9FH:A:201,valid,Kd,=,0.58,mM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,9FH:B:201,valid,Kd,=,0.58,mM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,5O0D,,,,,,,
,,,9F5:B:201,valid,,,,,c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O,
,,,9F5:C:201,valid,,,,,c1ccc(cc1)Oc2cccc(c2)[C@@H](C(=O)O)O,
,,5O0F,,,,,,,
,,,IOP:B:201,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,,IOP:C:201,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,5O08,,,,,,,
,,,COD:B:201,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COD:A:201,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COD:C:201,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,5O0C,,,,,,,
,,,9F8:A:201,valid,,,,,Cc1cn(c2c1cccc2)CCC(=O)O,
,,,9F8:C:201,valid,,,,,Cc1cn(c2c1cccc2)CCC(=O)O,
,,,9F8:B:201,valid,,,,,Cc1cn(c2c1cccc2)CCC(=O)O,
,,5O0H,,,,,,,
,,,9FN:C:201,valid,,,,,c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O,
,,,9FN:B:201,valid,,,,,c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)C(=O)O,
,Family. Representative Entry is ,3K9W,,,,,,,
,,,4PS:A:167,valid,,,,,CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACT:A:170,invalid,,,,,CC(=O)[O-],
,,,ADE:A:168,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,PG4:A:169,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:171,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PXU,,,,,,,
,,,COD:A:201,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1O6B,,,,,,,
,,,ADP:A:173,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:172,invalid,,,,,[Cl-],
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,,PO4:A:170,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4NAT,,,,,,,
,,,2W5:B:201,valid,,,,,COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC,
,,,2W5:C:201,valid,,,,,COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC,
,,,2W5:A:201,valid,,,,,COc1cc(nc(n1)[C@@H]2CCCC[C@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)OC,
,,,EPE:A:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ADP:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NAU,,,,,,,
,,,AGS:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,2W3:A:202,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)C4=NC(=C(C(=O)N4)C(=O)N)O,
,,4NAH,,,,,,,
,,,AGS:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,2VJ:B:202,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,,2VJ:D:202,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,,2VJ:A:203,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,,2VJ:A:202,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,,2VJ:F:203,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,,2VJ:F:202,valid,,,,,CCc1cc(nc(n1)[C@H]2CCCC[C@@H]2C(=O)NCc3ccc(c(c3)Cl)Cl)Sc4[nH]c(cn4)C(=O)O,
,,3F3M,,,,,,,
,,,PPS:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3X1M,,,,,,,
,,,DMS:C:202,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,PEG:A:210,invalid,,,,,C(COCCO)O,
,,,PEG:A:211,invalid,,,,,C(COCCO)O,
,,,PEG:A:209,invalid,,,,,C(COCCO)O,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:C:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,COA:A:201,valid,Ki,=,6.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,Ki,=,6.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,Ki,=,6.5,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FMT:A:212,invalid,,,,,C(=O)O,
,,4RUK,,,,,,,
,,,DMS:F:205,invalid,,,,,CS(=O)C,
,,,DMS:D:203,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:E:204,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:D:204,invalid,,,,,CS(=O)C,
,,,DMS:F:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,,FMT:D:205,invalid,,,,,C(=O)O,
,,,FMT:B:206,invalid,,,,,C(=O)O,
,,,FMT:E:205,invalid,,,,,C(=O)O,
,,,FMT:A:207,invalid,,,,,C(=O)O,
,,,FMT:A:206,invalid,,,,,C(=O)O,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,FMT:B:202,invalid,,,,,C(=O)O,
,,,FMT:C:203,invalid,,,,,C(=O)O,
,,,FMT:B:207,invalid,,,,,C(=O)O,
,,,FMT:E:201,invalid,,,,,C(=O)O,
,,,FMT:C:202,invalid,,,,,C(=O)O,
,,,FMT:C:205,invalid,,,,,C(=O)O,
,,,FMT:B:205,invalid,,,,,C(=O)O,
,,,FMT:C:204,invalid,,,,,C(=O)O,
,,,CA:F:203,invalid,,,,,[Ca+2],
,,,CA:E:203,invalid,,,,,[Ca+2],
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACT:C:206,invalid,,,,,CC(=O)[O-],
,,,ACT:F:206,invalid,,,,,CC(=O)[O-],
,,,ACT:E:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,POP:F:202,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:202,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:D:206,invalid,,,,,C(C(CO)O)O,
,,3X1J,,,,,,,
,,,DMS:C:202,invalid,,,,,CS(=O)C,
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,,DMS:A:208,invalid,,,,,CS(=O)C,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:C:203,invalid,,,,,CS(=O)C,
,,,ACO:A:201,valid,Ki,=,8.4,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:201,valid,Ki,=,8.4,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:201,valid,Ki,=,8.4,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:209,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1VLH,,,,,,,
,,,MPD:B:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PNS:A:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:B:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:C:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:E:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:F:200,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
4.2.3.5,,,,,,,,,
,Family. Representative Entry is ,1QXO,,,,,,,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3005,invalid,,,,,C(CO)O,
,,,EDO:A:3006,invalid,,,,,C(CO)O,
,,,EDO:B:3002,invalid,,,,,C(CO)O,
,,,EDO:C:3003,invalid,,,,,C(CO)O,
,,,EDO:D:3004,invalid,,,,,C(CO)O,
,,,EDO:D:3007,invalid,,,,,C(CO)O,
,,,EPS:A:5001,valid,,,,,C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O,
,,,EPS:B:5002,valid,,,,,C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O,
,,,EPS:C:5003,valid,,,,,C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O,
,,,EPS:D:5004,valid,,,,,C=C(C(=O)O)O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O,
,,,FMN:A:4001,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:4002,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:4003,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:4005,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4004,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4006,valid,Kd,=,20,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NCO:A:2002,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:A:2004,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:A:2007,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:B:2003,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:B:2008,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:C:2001,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:C:2005,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:D:2006,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,,,NCO:D:2009,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,Family. Representative Entry is ,1UM0,,,,,,,
,,,FMN:A:1400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:3400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.4.21.1,,,,,,,,,
,Family. Representative Entry is ,2P8O,,,,,,,
,,,BVA:C:300,valid,Ki,=,16,uM,c1ccc(cc1)C2=O[V](ON2)(O)(O)O,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AFQ,,,,,,,
,,,0FG:B:304,valid,,,,,CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N,
,,,0FG:C:301,valid,,,,,CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc2ccc(cc2)F)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GHB,,,,,,,
,,,HEX:E:651,invalid,,,,,CCCCCC,
,,,HEX:E:653,invalid,,,,,CCCCCC,
,,,HEX:F:654,invalid,,,,,CCCCCC,
,,,HEX:F:655,invalid,,,,,CCCCCC,
,,,HEX:G:652,invalid,,,,,CCCCCC,
,,,IPA:F:703,invalid,,,,,CC(C)O,
,,,IPA:G:701,invalid,,,,,CC(C)O,
,,,IPA:G:702,invalid,,,,,CC(C)O,
,,,PRO GLY ALA:P:571,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C1[NH2+]CCC1)C,
,,,ACE TRP:E:600,valid,,,,,,
,,6CHA,,,,,,,
,,,PBA:C:1,valid,Ki,=,40,uM,B(CCc1ccccc1)(O)O,
,,,PBA:G:1,valid,Ki,=,40,uM,B(CCc1ccccc1)(O)O,
,,1GHA,,,,,,,
,,,IPA:G:702,invalid,,,,,CC(C)O,
,,,PRO GLY VAL TYR:P:571,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)C(C)C)Cc1ccc(O)cc1,
,,,SO4:F:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1GG6,,,,,,,
,,,APF:C:301,Part of Protein,,,,,CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(F)(F)F,
,,,APL:B:302,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1)C(C(F)(F)F)(O)O,
,,,CYS GLY VAL PRO ALA ILE GLN PRO VAL LEU:A:1,invalid,,,,,,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:C:312,invalid,,,,,C(CO)O,
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:307,invalid,,,,,[O-]S(=O)(=O)[O-],
2.3.3.16,,,,,,,,,
,Family. Representative Entry is ,6ABW,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ACO:A:403,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6ABX,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,FLC:A:401,valid,Ki,=,7.19,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:401,valid,Ki,=,7.19,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6ABY,,,,,,,
,,,OAA:B:401,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:A:401,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,ACO:B:403,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:403,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
3.5.1.97,,,,,,,,,
,Family. Representative Entry is ,4K2G,,,,,,,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,1OQ:B:810,valid,ic50,=,0.02,uM,c1cc(nc(c1)C(F)(F)F)[C@@H](C#N)c2ccc(cc2)F,
,,4WKT,,,,,,,
,,,GOL:C:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,BUB:C:801,valid,Ki,=,0.00055,M,B(CCCC)(O)O,
,,4K2F,,,,,,,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,A08:B:805,valid,ic50,=,0.04,uM,c1cc(nc(c1)Cl)[C@@H](C#N)c2ccc(cc2)Cl,
,,3SRC,,,,,,,
,,,28N:B:1,valid,ic50,=,130,uM,c1cc2c(cc1Br)N3C(=NOC3=O)CO2,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:13,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:16,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:18,invalid,,,,,C(CO)O,
,,,EDO:B:19,invalid,,,,,C(CO)O,
,,,EDO:B:20,invalid,,,,,C(CO)O,
,,,EDO:B:21,invalid,,,,,C(CO)O,
,,,EDO:B:23,invalid,,,,,C(CO)O,
,,2WYD,,,,,,,
,,,DAO:B:1552,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:1553,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,GOL:A:1170,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1171,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1172,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1547,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1548,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1549,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1550,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1551,invalid,,,,,C(C(CO)O)O,
,,3SRB,,,,,,,
,,,28S:B:1,valid,ic50,=,65,uM,C=CCNc1c2cc(ccc2ncn1)Br,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WYC,,,,,,,
,,,3LA:B:1551,valid,,,,,CCCCCCCCCC(=O)CC(=O)O,
,,,DMS:B:1550,invalid,,,,,CS(=O)C,
,,,GOL:A:1170,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1171,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1172,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1173,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1174,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1175,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1547,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1548,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1549,invalid,,,,,C(C(CO)O)O,
3.4.21.98,,,,,,,,,
,Family. Representative Entry is ,5E4F,,,,,,,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,ALF ADP:B:701,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF ADP:A:701,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,Family. Representative Entry is ,4B74,,,,,,,
,,,1LH:A:1721,valid,Kd,=,0.022,uM,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+],
,,,1LH:B:1721,valid,Kd,=,0.022,uM,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)NCC[NH3+],
,,4B71,,,,,,,
,,,DJL:A:1721,valid,,,,,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+],
,,,DJL:B:1721,valid,,,,,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH3+],
,,3O8D,,,,,,,
,,,ADP BEF:A:875,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:B:875,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,,,MG:B:850,Part of Protein,,,,,[Mg+2],
,,,SO4:A:895,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:895,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B6E,,,,,,,
,,,10L:B:1722,valid,,,,,c1cc2cn[nH]c2c(c1)N,
,,,SER:B:720,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,SO4:A:1721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B73,,,,,,,
,,,4VA:A:1721,valid,Kd,=,0.062,uM,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N,
,,,4VA:B:1721,valid,Kd,=,0.062,uM,CC[C@H](c1ccc(c(c1F)Oc2ccccc2)Cl)[NH2+][C@@H](C)CC(=O)N,
,,4B76,,,,,,,
,,,PW1:A:1721,valid,Kd,=,29,uM,c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F,
,,,PW1:B:1721,valid,Kd,=,29,uM,c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F,
,Family. Representative Entry is ,3SUD,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SUE:A:1201,valid,Ki,=,0.14,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:B:1201,valid,Ki,=,0.14,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:C:1201,valid,Ki,=,0.14,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:D:1201,valid,Ki,=,0.14,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1202,Part of Protein,,,,,[Zn+2],
,,5EQR,,,,,,,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,TSV:A:1201,valid,,,,,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ETX,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1201,Part of Protein,,,,,[Zn+2],
,,,5RS:C:1202,valid,,,,,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5,
,,,5RS:A:1202,valid,,,,,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5,
,,,5RS:B:1202,valid,,,,,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5,
,,,5RS:D:1202,valid,,,,,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5,
,,,CL:B:1203,invalid,,,,,[Cl-],
,,5VP9,,,,,,,
,,,9H7:A:1201,valid,Ki,=,1.03,nM,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccccc5n4)c6cccs6)C(=O)NS(=O)(=O)C7CC7,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,4WF8,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,CL:A:1202,invalid,,,,,[Cl-],
,,,2R9:A:1203,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,3SU2,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSV:A:100,valid,Ki,=,44.8,nM,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,ZN:A:1183,Part of Protein,,,,,[Zn+2],
,,5EQS,,,,,,,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,2R9:A:1201,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,3RC5,,,,,,,
,,,ACE GLN GLU ARG GLU VAL PRO CYS:B:0,valid,,,,,SCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CCC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-])C(C)C)CCC1)C(=O)[O-],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1183,Part of Protein,,,,,[Zn+2],
,,3M5M,,,,,,,
,,,ACE PHE ASP GLU MET GLU GLU CYS:C:0,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)[O-])CCC(=O)[O-])C,
,,,MES:A:1,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1183,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1184,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,6NZV,,,,,,,
,,,L9J:A:1201,valid,,,,,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCc6c(nc7cc(ccc7n6)OC)O2)C(C)(C)C,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,6PIZ,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,ZN:A:1209,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,ON4:A:1203,valid,Ki,=,27.9,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PJ2,,,,,,,
,,,ZN:A:9201,Part of Protein,,,,,[Zn+2],
,,,EDO:A:9204,invalid,,,,,C(CO)O,
,,,EDO:A:9203,invalid,,,,,C(CO)O,
,,,EDO:A:9205,invalid,,,,,C(CO)O,
,,,EDO:A:9206,invalid,,,,,C(CO)O,
,,,OM7:A:9202,valid,Ki,=,81,nM,CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)Oc4c(nc5ccc(cc5n4)OC)C)C(=O)NS(=O)(=O)C6(CC6)C)NC(=O)C,
,,,SO4:A:9207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PIW,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,OLV:A:1202,valid,Ki,=,12.7,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCCC6)C(=O)NS(=O)(=O)C7(CC7)C,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,4WH6,,,,,,,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,2R9:A:1204,valid,,,,,CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C,
,,6UE3,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,9H4:A:1201,valid,Ki,=,52,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C,
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1208,invalid,,,,,C(C(CO)O)O,
,,6CVW,,,,,,,
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,FH1:A:1206,valid,Ki,=,7.1,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C,
,,3SV9,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SV6:A:1,valid,,,,,CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5,
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,5EPN,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,5R2:A:1203,valid,Kd,=,2.2,nM,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M5N,,,,,,,
,,,SER GLU CYS THR THR PRO CYS:F:1,valid,,,,,SCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)[O-])CS)C(O)C)C(O)C)CCC1)C(=O)[O-],
,,,SER GLU CYS THR THR PRO CYS:G:1,valid,,,,,SCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)[O-])CS)C(O)C)C(O)C)CCC1)C(=O)[O-],
,,,SER GLU CYS THR THR PRO CYS:H:1,valid,,,,,SCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)[O-])CS)C(O)C)C(O)C)CCC1)C(=O)[O-],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1181,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1181,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1181,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1181,Part of Protein,,,,,[Zn+2],
,,3SU0,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSV:A:100,valid,Ki,=,162,nM,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,ZN:A:1181,Part of Protein,,,,,[Zn+2],
,,3SU4,,,,,,,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU3:A:1,valid,Ki,=,554,nM,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,,SU3:B:1,valid,Ki,=,554,nM,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,6CVY,,,,,,,
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FHD:A:1205,valid,Ki,=,3.9,nM,CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C)C,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1206,invalid,,,,,C(C(CO)O)O,
,,6PIX,,,,,,,
,,,OLY:A:1202,valid,Ki,=,931,nM,Cc1c(nc2c(n1)CC=C(C2)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)C6(CCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C,
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,6PJ0,,,,,,,
,,,OMV:A:1301,valid,Ki,=,21.7,nM,CCC1(CCCC1)OC(=O)N[C@H]2CCCCC/C=C[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c(nc6ccc(cc6n5)OC)C)C(=O)NS(=O)(=O)C7(CC7)C,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PIU,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,OL7:A:1202,valid,Ki,=,9.68,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)[C@H](C6CCCCC6)NC(=O)OC)C(=O)NS(=O)(=O)C7(CC7)C,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,3SUE,,,,,,,
,,,SUE:A:1201,valid,Ki,=,0.84,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:B:1201,valid,Ki,=,0.84,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:C:1201,valid,Ki,=,0.84,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:D:1201,valid,Ki,=,0.84,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1202,Part of Protein,,,,,[Zn+2],
,,6PIY,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,OMS:A:1201,valid,Ki,=,46.4,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCC6)C)C(=O)NS(=O)(=O)C7(CC7)C,
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,3SU3,,,,,,,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU3:A:1,valid,Ki,=,0.74,nM,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,5VOJ,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,9H4:A:1201,valid,Ki,=,3.6,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6(CC6)C,
,,6PIV,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,OLJ:A:1202,valid,Ki,=,2.3,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)NS(=O)(=O)C8(CC8)C,
,,,SO4:A:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,6CVX,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FH4:A:1201,valid,Ki,=,21,nM,CC(C)c1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC6)C,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,3SU6,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU3:A:1,valid,Ki,=,958,nM,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,,ZN:A:5,Part of Protein,,,,,[Zn+2],
,,3SUF,,,,,,,
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SUE:A:1201,valid,Ki,=,27.8,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:B:1201,valid,Ki,=,27.8,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:C:1201,valid,Ki,=,27.8,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,SUE:D:1201,valid,Ki,=,27.8,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1202,Part of Protein,,,,,[Zn+2],
,,3SU1,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSV:A:100,valid,Ki,=,208,nM,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,ZN:A:1183,Part of Protein,,,,,[Zn+2],
,,3SU5,,,,,,,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU3:A:1,valid,Ki,=,2635,nM,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,,ZN:A:6,Part of Protein,,,,,[Zn+2],
,,6PJ1,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,GKM:A:1205,valid,Ki,=,16,nM,Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=CCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6(CCCC6)C)C(=O)NS(=O)(=O)C7(CC7)C,
,,,SO4:A:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EQQ,,,,,,,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,5RS:A:1203,valid,Kd,=,6.7,nM,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N[C@@]4(C[C@H]4CC)C(=O)NS(=O)(=O)C5CC5,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SUG,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SUE:A:1201,valid,Ki,=,620,nM,CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)Oc5c(nc6ccc(cc6n5)OC)CCCCC[C@@H]7C[C@H]7OC(=O)N1,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,3M5O,,,,,,,
,,,ACE THR GLU ASP VAL VAL CYS CYS:C:0,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)CCC(=O)[O-])CC(=O)[O-])C(C)C)C(C)C)CS)C(=O)[O-],
,,,ACE THR GLU ASP VAL VAL CYS CYS:D:0,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)CCC(=O)[O-])CC(=O)[O-])C(C)C)C(C)C)CS)C(=O)[O-],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1183,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,5ESB,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU3:A:1204,valid,,,,,CC[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)OCC(CCCCc5cccc6c5CN(C6)C(=O)O4)(C)C)C(C)(C)C,
,,6NZT,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L9P:A:1201,valid,,,,,CC[C@@H]1[C@@H]2CN([C@@H]1C(=O)N[C@@]3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4(CC4)C)C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCC(c6c(nc7cc(ccc7n6)OC)O2)(F)F)C(C)(C)C,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,5EPY,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,5R2:A:1203,valid,,,,,CCc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@@H]5/C=C/CCCCC[C@@H](C(=O)N4C3)NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M5L,,,,,,,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSV:A:100,valid,,,,,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3P8N,,,,,,,
,,,L4T:A:188,valid,Ki,=,0.53,nM,CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O,
,,,L4T:B:188,valid,Ki,=,0.53,nM,CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O,
,,,NA:A:187,Part of Protein,,,,,[Na+],
,,,NA:B:187,Part of Protein,,,,,[Na+],
,,3P8O,,,,,,,
,,,L5T:A:188,valid,Ki,=,1.89,nM,CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O,
,,,L5T:B:188,valid,Ki,=,1.89,nM,CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O,
,,,NA:A:187,Part of Protein,,,,,[Na+],
,,,NA:B:187,Part of Protein,,,,,[Na+],
,,4KTC,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,1X3:C:202,valid,ic50,=,1,nM,c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7,
,,,1X3:A:202,valid,ic50,=,1,nM,c1ccc2c(c1)CCN(C2)C(=O)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCCC[C@@H](C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7CC7,
,Family. Representative Entry is ,3KEE,,,,,,,
,,,30B:A:500,valid,,,,,Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC,
,,,30B:B:500,valid,,,,,Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC,
,,,30B:C:500,valid,,,,,Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC,
,,,30B:D:500,valid,,,,,Cc1c(ccc2c1nc(cc2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)c7nc(cs7)C(C)C)OC,
,,,GOL:C:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3968,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2000,Part of Protein,,,,,[Zn+2],
2.2.1.5,,,,,,,,,
,Family. Representative Entry is ,6R2C,,,,,,,
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,JQ5:A:2004,valid,Ki,=,0.88,mM,CCOP(=O)(C(=O)CCC(=O)O)O,
,,,JQ5:C:2004,valid,Ki,=,0.88,mM,CCOP(=O)(C(=O)CCC(=O)O)O,
,,,JQ5:B:2004,valid,Ki,=,0.88,mM,CCOP(=O)(C(=O)CCC(=O)O)O,
,,,JQ5:D:2004,valid,Ki,=,0.88,mM,CCOP(=O)(C(=O)CCC(=O)O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3ZHR,,,,,,,
,,,MPD:C:2228,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2228,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:2228,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2228,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,TPP:D:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,2Y0P,,,,,,,
,,,ACO:A:2228,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2228,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:2228,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:2228,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TD7:A:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:B:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:C:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:D:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,2YIC,,,,,,,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3ZHU,,,,,,,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TD8:C:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD8:D:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD8:A:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD8:B:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,6R2B,,,,,,,
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,QSP:A:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,,QSP:D:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,,QSP:C:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,,QSP:B:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,3ZHS,,,,,,,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TD6:D:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,3ZHV,,,,,,,
,,,TDW:C:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TDW:D:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TDW:B:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TDW:A:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](C)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,6R29,,,,,,,
,,,QSP:A:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,,QSP:B:2001,valid,,,,,Cc1ncc(c(n1)N)CN2[C@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](CCC(=O)O)(O)P(=O)(O)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MPD:B:2005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2YID,,,,,,,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TD7:A:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:B:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:C:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,TD7:D:2001,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=C(CCC(=O)O)O)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,3ZHQ,,,,,,,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TPP:D:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,6R2D,,,,,,,
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,ZP1:B:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,,ZP1:C:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,,ZP1:D:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,,ZP1:A:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,2XTA,,,,,,,
,,,ACO:A:2004,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:2004,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:2004,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6R2A,,,,,,,
,,,ZP1:B:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,,ZP1:A:2001,valid,,,,,CCOP(=O)([C@@](CCC(=O)O)([C@@H]1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O,
,,,MPD:A:2007,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:2005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,3ZHT,,,,,,,
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,TD9:D:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD9:C:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD9:A:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD9:B:2001,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6I2Q,,,,,,,
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,6I2S,,,,,,,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,TD6:A:1304,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:1302,Part of Protein,,,,,[Ca+2],
,,,PO4:A:1303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6I2R,,,,,,,
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
1.2.1.36,,,,,,,,,
,Family. Representative Entry is ,6DUM,,,,,,,
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,YB:A:602,invalid,,,,,[Yb+3],
,,,NAI:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,A5Y:A:603,valid,ic50,=,0.08,uM,c1ccc(cc1)N2C(=O)c3cn(nc3N=C2SCc4cccc(c4)F)C5COC5,
,,5AC1,,,,,,,
,,,MG:A:551,invalid,,,,,[Mg+2],
,,,MG:D:551,invalid,,,,,[Mg+2],
,,,MG:B:551,invalid,,,,,[Mg+2],
,,,MG:C:551,invalid,,,,,[Mg+2],
,,,K9P:B:501,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,K9P:C:501,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,K9P:A:501,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,K9P:D:501,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,TXE:A:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:D:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:C:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:B:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,5L2O,,,,,,,
,,,YB:E:603,invalid,,,,,[Yb+3],
,,,YB:H:602,invalid,,,,,[Yb+3],
,,,YB:B:602,invalid,,,,,[Yb+3],
,,,YB:A:602,invalid,,,,,[Yb+3],
,,,YB:F:602,invalid,,,,,[Yb+3],
,,,YB:E:602,invalid,,,,,[Yb+3],
,,,YB:D:602,invalid,,,,,[Yb+3],
,,,YB:G:602,invalid,,,,,[Yb+3],
,,,CL:G:603,invalid,,,,,[Cl-],
,,,CL:D:603,invalid,,,,,[Cl-],
,,,CL:H:603,invalid,,,,,[Cl-],
,,,CL:E:604,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:F:603,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,6ZW:E:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:G:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:C:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:D:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:B:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:H:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:F:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,6ZW:A:601,valid,ic50,=,0.76,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,7JWW,,,,,,,
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,VMG:A:602,valid,ic50,=,0.36,uM,C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CCO,
,,,CL:A:603,invalid,,,,,[Cl-],
,,5L2N,,,,,,,
,,,6ZU:A:602,valid,ic50,=,2.8,uM,CC1=C(C(=O)Oc2c1ccc(c2)OS(=O)(=O)C)Cc3ccccc3,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,1BXS,,,,,,,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5ABM,,,,,,,
,,,TXE:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,TXE:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,7JWV,,,,,,,
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,VMJ:A:602,valid,ic50,=,0.6,uM,C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccc(cc4)CO,
,,,CL:A:603,invalid,,,,,[Cl-],
,,7JWU,,,,,,,
,,,VMA:A:606,valid,ic50,=,0.242,uM,C[C@H](c1ccccn1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4,
,,,NAD:A:605,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,YB:A:602,invalid,,,,,[Yb+3],
,,7JWS,,,,,,,
,,,VLY:A:602,valid,ic50,=,0.13,uM,C[C@H](c1ccccc1)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4,
,,,YB:A:603,invalid,,,,,[Yb+3],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,CL:A:604,invalid,,,,,[Cl-],
,,5L2M,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,6ZY:A:602,valid,Ki,=,170,nM,Cc1c(oc2c1cc3c(c2)OC(=O)C(=C3C)CCC(=O)N4CCCCC4)C,
,,4X4L,,,,,,,
,,,NA:A:609,invalid,,,,,[Na+],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,YB:A:602,invalid,,,,,[Yb+3],
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,NAI:A:608,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,3XG:A:603,valid,ic50,=,4.6,uM,CCOC(=O)CSC1=Nc2c3ccccc3sc2C(=O)N1CCCN4CCCC4,
,,5AC0,,,,,,,
,,,MG:A:552,invalid,,,,,[Mg+2],
,,,MG:B:552,invalid,,,,,[Mg+2],
,,,NAD:B:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:550,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,K9P:B:551,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,K9P:A:551,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,7JWT,,,,,,,
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,VM4:A:602,valid,ic50,=,0.13,uM,C[C@H](c1cccc(c1)O)SC2=Nc3c(cnn3C)C(=O)N2c4ccccc4,
,,4WP7,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,3SR:A:602,valid,ic50,=,0.8,uM,CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C(=O)c4ccco4,
,,,YB:A:601,invalid,,,,,[Yb+3],
,,,YB:A:604,invalid,,,,,[Yb+3],
,,4WB9,,,,,,,
,,,CL:A:5504,invalid,,,,,[Cl-],
,,,CL:A:5505,invalid,,,,,[Cl-],
,,,CL:A:5506,invalid,,,,,[Cl-],
,,,YB:A:5503,invalid,,,,,[Yb+3],
,,,YB:A:5502,invalid,,,,,[Yb+3],
,,,NAI:A:5501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4WPN,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,YB:A:605,invalid,,,,,[Yb+3],
,,,YB:A:606,invalid,,,,,[Yb+3],
,,,3ST:A:601,valid,ic50,=,0.21,uM,CC(C)CCn1c(nc2c1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C(=O)N,
,,5AC2,,,,,,,
,,,K9P:A:1502,invalid,,,,,CCCCCC(=O)N1C[C@H](c2c1cc(c3c2cccc3)O)C,
,,,YB:A:1503,invalid,,,,,[Yb+3],
,,,YB:A:1508,invalid,,,,,[Yb+3],
,,,YB:A:1507,invalid,,,,,[Yb+3],
,,,TXE:A:1504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C[C@@H](CC=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,6B5G,,,,,,,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CQY:D:602,valid,Kd,=,0.26,uM,CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-],
,,,CQY:B:602,valid,Kd,=,0.26,uM,CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-],
,,,CQY:A:602,valid,Kd,=,0.26,uM,CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-],
,,,CQY:C:602,valid,Kd,=,0.26,uM,CCOc1ccsc1C(=O)N2CCN(CC2)c3ccc(c(c3)N4CCCC4)[N+](=O)[O-],
,,6ALJ,,,,,,,
,,,NAD:B:601,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CW2:C:602,invalid,,,,,C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl,
,,,CW2:D:601,invalid,,,,,C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl,
,,,CW2:B:602,invalid,,,,,C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl,
,,,CW2:A:602,invalid,,,,,C(CCCCNC(=O)C(Cl)Cl)CCCNC(=O)C(Cl)Cl,
,,6B5H,,,,,,,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CU4:B:602,valid,Kd,=,1.1,uM,CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F,
,,,CU4:D:602,valid,Kd,=,1.1,uM,CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F,
,,,CU4:A:602,valid,Kd,=,1.1,uM,CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F,
,,,CU4:C:602,valid,Kd,=,1.1,uM,CS(=O)(=O)c1ccc(cc1)c2c(cn(n2)c3ccc(cc3)C#N)C(=O)Nc4cccc(c4)F,
2.7.7.38,,,,,,,,,
,Family. Representative Entry is ,2Y6P,,,,,,,
,,,BME:A:1237,invalid,,,,,C(CS)O,
,,,CTP:A:1233,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:1235,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:1232,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:B:1237,invalid,,,,,[Mg+2],
,,,MG:C:1234,invalid,,,,,[Mg+2],
,,,MG:A:1234,Part of Protein,,,,,[Mg+2],
,,,MG:A:1235,Part of Protein,,,,,[Mg+2],
,,,MG:B:1236,Part of Protein,,,,,[Mg+2],
,,,MG:C:1233,Part of Protein,,,,,[Mg+2],
,,,IPA:A:1236,invalid,,,,,CC(C)O,
,,,IPA:C:1235,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,3K8D,,,,,,,
,,,CTP:A:1243,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:1243,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:1243,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:1243,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,KDO:A:1244,valid,Kd,=,1.7,uM,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:B:1244,valid,Kd,=,1.7,uM,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:C:1244,valid,Kd,=,1.7,uM,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:D:1244,valid,Kd,=,1.7,uM,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:1242,invalid,,,,,[Mg+2],
,,,MG:B:1242,invalid,,,,,[Mg+2],
,,,MG:C:1242,invalid,,,,,[Mg+2],
,,,MG:D:1242,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3DUV,,,,,,,
,,,KDO:A:263,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:B:263,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,P4C:A:270,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,Family. Representative Entry is ,1H7F,,,,,,,
,,,C5P:B:1242,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1H7G,,,,,,,
,,,CTP:B:1243,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:B:1242,invalid,,,,,[Mg+2],
,,1H7T,,,,,,,
,,,C5P SIA:B:1242,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)[O-],
,,1H7H,,,,,,,
,,,CDP:A:1246,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1242,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
5.1.3.2,,,,,,,,,
,Family. Representative Entry is ,1UDB,,,,,,,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,UFG:A:341,valid,Ki,=,1.2,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O,
,,1XEL,,,,,,,
,,,EDO:A:351,invalid,,,,,C(CO)O,
,,,NA:A:352,Part of Protein,,,,,[Na+],
,,,NA:A:353,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:354,invalid,,,,,C(COCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1KVT,,,,,,,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1LRJ,,,,,,,
,,,NA:A:343,Part of Protein,,,,,[Na+],
,,,NA:A:344,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:342,invalid,,,,,C(COCCOCCO)O,
,,,UD1:A:341,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1LRL,,,,,,,
,,,NA:A:342,Part of Protein,,,,,[Na+],
,,,NA:A:343,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:530,invalid,,,,,C(COCCOCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1KVQ,,,,,,,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1KVS,,,,,,,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2UDP,,,,,,,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,NA:B:411,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPP:A:341,valid,,,,,c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,,UPP:B:341,valid,,,,,c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,1UDC,,,,,,,
,,,EDO:A:370,invalid,,,,,C(CO)O,
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:A:372,invalid,,,,,C(CO)O,
,,,NA:A:350,Part of Protein,,,,,[Na+],
,,,NA:A:351,Part of Protein,,,,,[Na+],
,,,NA:A:352,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:360,invalid,,,,,C(COCCOCCO)O,
,,,UFM:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1NAI,,,,,,,
,,,NA:A:347,Part of Protein,,,,,[Na+],
,,,NA:A:348,Part of Protein,,,,,[Na+],
,,,NAD:A:349,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PDO:A:351,invalid,,,,,C(CO)CO,
,,,PEG:A:352,invalid,,,,,C(COCCO)O,
,,,UDP:A:350,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1UDA,,,,,,,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,NA:A:420,Part of Protein,,,,,[Na+],
,,,NA:A:421,Part of Protein,,,,,[Na+],
,,,NA:A:422,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:410,invalid,,,,,C(COCCOCCO)O,
,,,UFG:A:341,valid,Ki,=,1.4,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O)O,
,,1KVU,,,,,,,
,,,EDO:A:430,invalid,,,,,C(CO)O,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:420,invalid,,,,,C(COCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1A9Y,,,,,,,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1LRK,,,,,,,
,,,NA:A:342,Part of Protein,,,,,[Na+],
,,,NA:A:343,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:344,invalid,,,,,C(COCCOCCO)O,
,,,UD1:A:341,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1A9Z,,,,,,,
,,,NA:A:420,Part of Protein,,,,,[Na+],
,,,NA:A:421,Part of Protein,,,,,[Na+],
,,,NA:A:422,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:410,invalid,,,,,C(COCCOCCO)O,
,,,UPG:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1NAH,,,,,,,
,,,EDO:A:343,invalid,,,,,C(CO)O,
,,,NA:A:339,Part of Protein,,,,,[Na+],
,,,NA:A:340,Part of Protein,,,,,[Na+],
,,,NAD:A:341,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:344,invalid,,,,,C(COCCO)O,
,,,UDP:A:342,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1KVR,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NA:A:415,Part of Protein,,,,,[Na+],
,,,NAD:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:411,invalid,,,,,C(COCCO)O,
,,,UDP:A:341,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1EK6,,,,,,,
,,,MG:A:961,invalid,,,,,[Mg+2],
,,,MG:B:960,invalid,,,,,[Mg+2],
,,,NAI:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,TMA:A:950,invalid,,,,,C[N+](C)(C)C,
,,,TMA:A:952,invalid,,,,,C[N+](C)(C)C,
,,,TMA:B:951,invalid,,,,,C[N+](C)(C)C,
,,,UPG:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1I3L,,,,,,,
,,,CL:A:990,invalid,,,,,[Cl-],
,,,CL:B:991,invalid,,,,,[Cl-],
,,,CL:B:992,invalid,,,,,[Cl-],
,,,EDO:A:980,invalid,,,,,C(CO)O,
,,,EDO:B:981,invalid,,,,,C(CO)O,
,,,GDU:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MG:A:993,Part of Protein,,,,,[Mg+2],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1I3M,,,,,,,
,,,CL:A:993,invalid,,,,,[Cl-],
,,,CL:B:990,invalid,,,,,[Cl-],
,,,CL:B:991,invalid,,,,,[Cl-],
,,,CL:B:992,invalid,,,,,[Cl-],
,,,MG:A:994,Part of Protein,,,,,[Mg+2],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1I3K,,,,,,,
,,,CL:A:950,invalid,,,,,[Cl-],
,,,CL:B:951,invalid,,,,,[Cl-],
,,,CL:B:952,invalid,,,,,[Cl-],
,,,CL:B:953,invalid,,,,,[Cl-],
,,,EDO:A:971,invalid,,,,,C(CO)O,
,,,EDO:B:970,invalid,,,,,C(CO)O,
,,,EDO:B:972,invalid,,,,,C(CO)O,
,,,MG:A:960,Part of Protein,,,,,[Mg+2],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1EK5,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1HZJ,,,,,,,
,,,CL:A:950,invalid,,,,,[Cl-],
,,,CL:A:952,invalid,,,,,[Cl-],
,,,CL:B:951,invalid,,,,,[Cl-],
,,,MG:A:960,invalid,,,,,[Mg+2],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1I3N,,,,,,,
,,,CL:A:990,invalid,,,,,[Cl-],
,,,CL:A:992,invalid,,,,,[Cl-],
,,,CL:B:991,invalid,,,,,[Cl-],
,,,CL:B:993,invalid,,,,,[Cl-],
,,,MG:A:994,Part of Protein,,,,,[Mg+2],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,4ZRN,,,,,,,
,,,UPG:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4ZRM,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6K0I,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,6K0H,,,,,,,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,UD1:A:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6K0G,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3KO8,,,,,,,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6VO6,,,,,,,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,TMA:A:408,invalid,,,,,C[N+](C)(C)C,
,,,TMA:B:407,invalid,,,,,C[N+](C)(C)C,
,,,TMA:D:406,invalid,,,,,C[N+](C)(C)C,
,,,TMA:B:406,invalid,,,,,C[N+](C)(C)C,
,,,TMA:C:405,invalid,,,,,C[N+](C)(C)C,
,,,NA:D:403,Part of Protein,,,,,[Na+],
,,,GDP:D:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:407,invalid,,,,,[Cl-],
,,6VO8,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GZ0:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N,
,,,GZ0:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)[C@H](CO)O)O)O)O)O)O)NC(=NC2=O)N,
,Family. Representative Entry is ,1Z45,,,,,,,
,,,GAL:A:700,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UPG:A:704,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NAD:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1GY8,,,,,,,
,,,NAD:A:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:1383,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1383,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1383,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:1383,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
2.4.1.135,,,,,,,,,
,Family. Representative Entry is ,1V84,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,TLA:A:500,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:504,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,1V83,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,TLA:A:500,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:504,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3CU0,,,,,,,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL SO4 GAL:C:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)[O-],
,,,GAL SO4 GAL:D:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)[O-],
,,1KWS,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,UGA:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:B:405,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
2.3.1.180,,,,,,,,,
,Family. Representative Entry is ,5BQS,,,,,,,
,,,4VN:B:402,valid,ic50,=,2.3,uM,c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl,
,,,4VN:A:402,valid,ic50,=,2.3,uM,c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3H78,,,,,,,
,,,BE2:A:350,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:350,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:351,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,3H77,,,,,,,
,,,COW:A:350,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O,
,,,COW:B:350,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OCC1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O,
,Family. Representative Entry is ,3IL6,,,,,,,
,,,B83:A:401,valid,ic50,=,0.27,uM,C[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.9.1,,,,,,,,,
,Family. Representative Entry is ,1KC7,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,PPR:A:1000,valid,Ki,=,3,uM,C(C(=O)C(=O)O)P(=O)(O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1VBH,,,,,,,
,,,MG:A:2000,Part of Protein,,,,,[Mg+2],
,,,PEP:A:3000,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
1.14.13.61,,,,,,,,,
,Family. Representative Entry is ,1Z03,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:E:501,Part of Protein,,,,,[Fe+3],
,,,FE:F:501,Part of Protein,,,,,[Fe+3],
,,,FES:A:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,OCH:A:4600,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
,,,OCH:B:4601,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
,,,OCH:C:4602,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
,,,OCH:D:4603,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
,,,OCH:E:4604,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
,,,OCH:F:4605,valid,,,,,c1ccc2c(c1)C=CC(=O)N2,
1.3.1.80,,,,,,,,,
,Family. Representative Entry is ,3AGC,,,,,,,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NA:B:2,Part of Protein,,,,,[Na+],
,,,RCC:A:1000,valid,,,,,CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C4/[C@H]([C@@H](C(=N4)/C=C5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/[C@H](C3=O)C(=O)OC)C)C=O)C,
3.2.1.48,,,,,,,,,
,Family. Representative Entry is ,3CZG,,,,,,,
,,,GLC:A:3497,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3CZL,,,,,,,
,,,GLC:A:3497,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
4.2.2.16,,,,,,,,,
,Family. Representative Entry is ,4FFG,,,,,,,
,,,0U8:A:602,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O,
,,,0U8:B:602,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O,
,,,0U8:C:602,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O,
,,,0U8:D:602,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@@](O2)(OC[C@@H]3[C@H]([C@@H]([C@](O1)(O3)CO)O)O)CO)O)O,
,,,FRU FRU:H:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:G:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,4FFH,,,,,,,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:J:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:G:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:H:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:I:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4FFI,,,,,,,
,,,FRU FRU FRU:H:1,valid,,,,,O(CC1C(O)C(O)C(O)(CO)O1)C1(CO)C(O)C(O)C(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:J:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:L:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:G:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:M:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:I:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:N:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:K:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
3.1.2.1,,,,,,,,,
,Family. Representative Entry is ,4MOB,,,,,,,
,,,ADP:A:402,valid,ic50,=,0.0729,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4MOC,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
1.3.1.2,,,,,,,,,
,Family. Representative Entry is ,1GTE,,,,,,,
,,,FAD:A:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IUR:A:1034,valid,,,,,C1=C(C(=O)NC(=O)N1)I,
,,,IUR:B:1034,valid,,,,,C1=C(C(=O)NC(=O)N1)I,
,,,IUR:C:1034,valid,,,,,C1=C(C(=O)NC(=O)N1)I,
,,,IUR:D:1034,valid,,,,,C1=C(C(=O)NC(=O)N1)I,
,,,SF4:A:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1H7W,,,,,,,
,,,FAD:A:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:A:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1GTH,,,,,,,
,,,FAD:A:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IDH:A:1033,valid,,,,,C1[C@@H](C(=O)NC(=O)N1)I,
,,,IDH:B:1034,valid,,,,,C1[C@@H](C(=O)NC(=O)N1)I,
,,,IUR:C:1034,valid,,,,,C1=C(C(=O)NC(=O)N1)I,
,,,NDP:A:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SF4:A:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,URA:D:1034,valid,,,,,C1=CNC(=O)NC1=O,
,,1H7X,,,,,,,
,,,FAD:A:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1030,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NDP:A:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SF4:A:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1026,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1027,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1028,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:1029,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,URF:A:1033,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:1033,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:1033,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:1033,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
1.3.1.3,,,,,,,,,
,Family. Representative Entry is ,6EL3,,,,,,,
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3CAQ,,,,,,,
,,,BME:A:328,invalid,,,,,C(CS)O,
,,,BME:B:328,invalid,,,,,C(CS)O,
,,,EDO:A:329,invalid,,,,,C(CO)O,
,,,EDO:A:330,invalid,,,,,C(CO)O,
,,,EDO:B:329,invalid,,,,,C(CO)O,
,,,MPD:A:331,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:330,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDP:A:327,valid,Kd,=,528,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:327,valid,Kd,=,528,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3UZZ,,,,,,,
,,,ASD:B:501,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TES:A:501,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,3DOP,,,,,,,
,,,BDT:B:980,valid,,,,,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,NAP:A:944,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:943,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3CMF,,,,,,,
,,,NAP:A:944,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:943,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PDN:A:946,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,,PDN:B:945,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,3BV7,,,,,,,
,,,GOL:A:3991,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3992,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3999,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:3901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3UZW,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3BUV,,,,,,,
,,,EPE:A:3999,valid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:B:329,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:330,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:3902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3G1R,,,,,,,
,,,FIT:B:327,valid,Ki,=,2.1,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C,
,,,NAP:A:944,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:943,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3CAS,,,,,,,
,,,ASD:A:332,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:B:331,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,BME:A:328,invalid,,,,,C(CS)O,
,,,EDO:A:329,invalid,,,,,C(CO)O,
,,,EDO:A:330,invalid,,,,,C(CO)O,
,,,EDO:A:331,invalid,,,,,C(CO)O,
,,,EDO:B:328,invalid,,,,,C(CO)O,
,,,EDO:B:329,invalid,,,,,C(CO)O,
,,,EDO:B:330,invalid,,,,,C(CO)O,
,,,NAP:A:327,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:327,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3COT,,,,,,,
,,,NAP:A:3902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,STR:A:1501,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:1500,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,3UZY,,,,,,,
,,,BDT:A:501,valid,Ki,=,47.1,uM,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,BDT:B:501,valid,Ki,=,47.1,uM,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3BUR,,,,,,,
,,,GOL:A:331,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:334,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:335,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:338,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:329,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:337,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:328,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:327,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TES:A:339,valid,Ki,=,14.45,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,TES:B:340,valid,Ki,=,14.45,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,3UZX,,,,,,,
,,,AOM:A:501,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,
,,,AOX:B:501,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3CAV,,,,,,,
,,,BME:A:329,invalid,,,,,C(CS)O,
,,,BME:B:329,invalid,,,,,C(CS)O,
,,,CI2:A:328,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,
,,,CI2:B:328,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,
,,,EDO:A:330,invalid,,,,,C(CO)O,
,,,EDO:A:331,invalid,,,,,C(CO)O,
,,,EDO:A:332,invalid,,,,,C(CO)O,
,,,EDO:B:330,invalid,,,,,C(CO)O,
,,,EDO:B:331,invalid,,,,,C(CO)O,
,,,NAP:A:327,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:327,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.6.4.5,,,,,,,,,
,Family. Representative Entry is ,1VDC,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3F8D,,,,,,,
,,,ACY:B:1501,invalid,,,,,CC(=O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:2004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:4157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F8R,,,,,,,
,,,NAP:A:4001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:4005,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:4002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:4006,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:4003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:4007,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4008,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3F8P,,,,,,,
,,,ACY:B:1501,invalid,,,,,CC(=O)O,
,,,NAD:A:4001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:4002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:4003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:4157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4162,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1TDF,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:481,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1CL0,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1TRB,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1TDE,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.7.1.154,,,,,,,,,
,Family. Representative Entry is ,6BU0,,,,,,,
,,,FMT:A:1701,invalid,,,,,C(=O)O,
,,,FMT:A:1703,invalid,,,,,C(=O)O,
,,,FMT:A:1704,invalid,,,,,C(=O)O,
,,,FMT:A:1702,invalid,,,,,C(=O)O,
,,,FMT:B:1703,invalid,,,,,C(=O)O,
,,,IHP:C:1702,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:1702,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:1701,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:1701,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,O4B:C:1703,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
2.1.2.2,,,,,,,,,
,Family. Representative Entry is ,1RC0,,,,,,,
,,,KT5:A:510,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,KT5:B:610,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,4ZYY,,,,,,,
,,,3YC:A:1102,valid,Ki,=,9,nM,c1c(csc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,4ZYU,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YA:A:1102,valid,Ki,=,1067,nM,c1cc(ccc1CCCCc2cc3c(s2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4ZZ1,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YF:A:1102,valid,Ki,=,13,nM,c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCc2cc3c([nH]2)N=C(NC3=O)N,
,,1RBM,,,,,,,
,,,KT5:A:510,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,KT5:B:610,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PO4:A:521,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:522,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:621,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:622,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RBQ,,,,,,,
,,,KEU:A:510,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:B:610,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:C:710,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:D:810,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PO4:A:521,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:522,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:621,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:622,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:721,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:821,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4EW3,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DXZ:A:304,valid,Ki,=,0.18,uM,CS[C@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EW2,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DXY:A:304,valid,,,,,CS[C@@H](CCCC1=C(N=C(NC1=O)N)N)c2ccc(cc2)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZYT,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3Y9:A:1102,valid,Ki,=,17,nM,c1cc(ccc1CCCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1RC1,,,,,,,
,,,KT3:A:510,valid,,,,,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,KT3:B:610,valid,,,,,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PO4:A:521,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:621,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RBY,,,,,,,
,,,GAR:A:523,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:623,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,KEU:A:510,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:B:610,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:C:710,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:D:810,valid,,,,,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4ZYW,,,,,,,
,,,G94:A:1102,valid,Ki,=,68,nM,c1cc(sc1CCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,4ZZ3,,,,,,,
,,,GAR:A:1102,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,4DW:A:1101,valid,Ki,=,1000,nM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](/C=C/C(=O)O)C(=O)O,
,,4ZYZ,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YD:A:1102,valid,Ki,=,67,nM,c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1MEN,,,,,,,
,,,GAR:A:223,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:224,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:C:225,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,4ZYX,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YB:A:1102,valid,Ki,=,7,nM,c1c(csc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCc2cc3c([nH]2)N=C(NC3=O)N,
,,4ZZ0,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YE:A:1102,valid,Ki,=,99,nM,c1c([nH]c2c1C(=O)NC(=N2)N)CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4ZZ2,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,3YG:A:1102,valid,Ki,=,9.1,nM,c1c(csc1CCCc2cc3c([nH]2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1ZLY,,,,,,,
,,,DQB:A:1301,valid,,,,,c1cc(ccc1C(=O)NCCCC(=O)O)NCc2ccc3c(c2)C(=O)NC(=N3)N,
,,,GRF:A:1300,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O,
,,5J9F,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,83A:A:1102,valid,Ki,=,59,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCCc2cc3c([nH]2)N=C(NC3=O)N,
,,1NJS,,,,,,,
,,,KEU:A:510,valid,Ki,=,15,nM,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,KEU:B:610,valid,Ki,=,15,nM,c1cc(ccc1[C@@H](CCCC2C(NC(NC2=O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PO4:A:521,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:522,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:621,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RBZ,,,,,,,
,,,KT5:A:510,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,KT5:B:610,valid,Ki,=,4,nM,c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,4ZYV,,,,,,,
,,,GAR:A:1101,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,G71:A:1102,valid,Ki,=,22,nM,c1cc(sc1CCCCc2cc3c([nH]2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,1GAR,,,,,,,
,,,U89:A:213,valid,Ki,=,100,pM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O,
,,,U89:B:213,valid,Ki,=,100,pM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(CCCC2=C(N=C(NC2=O)N)N)C(=O)CSCC(=O)NCCCCOP(=O)(O)O,
,,1JKX,,,,,,,
,,,138:A:1221,valid,Ki,=,20,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O,
,,,138:B:2221,valid,Ki,=,20,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O,
,,,138:C:3221,valid,Ki,=,20,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O,
,,,138:D:4221,valid,Ki,=,20,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@](Cc2ccc3c(c2)c(nc(n3)N)O)(CNCC(=O)N[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)O,
,,1C3E,,,,,,,
,,,GAR:A:221,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:223,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,NHR:A:220,valid,,,,,c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NHR:B:222,valid,,,,,c1cc(ccc1[C@@H](Cc2ccc3c(c2)c(nc(n3)N)O)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1CDE,,,,,,,
,,,DZF:A:225,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,DZF:B:225,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,DZF:C:225,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,DZF:D:225,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,GAR:A:222,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:222,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:C:222,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:D:222,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,1C2T,,,,,,,
,,,GAR:A:223,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:221,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,NHS:A:222,valid,Ki,=,260,nM,c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NHS:B:220,valid,Ki,=,260,nM,c1cc(ccc1[C@H](Cc2ccc3c(c2)C(=O)NC(=N3)N)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,3DCJ,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,NO3:B:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,THH:A:401,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:B:401,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
3.4.23.22,,,,,,,,,
,Family. Representative Entry is ,5HCT,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,61P:A:406,valid,Ki,=,0.0254,uM,c1ccc2c(c1)cc([nH]2)CC(C(=O)NN=Cc3cccc(c3)/C=N/NC(=O)[C@H](Cc4c[nH]c5c4cccc5)N)N,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,5RBV,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,RQD:A:401,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)F)N,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,5RCG,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,REG:A:404,valid,,,,,C1CCC(C1)NC(=O)NC[C@@H]2CCCO2,
,,,REG:A:402,valid,,,,,C1CCC(C1)NC(=O)NC[C@@H]2CCCO2,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,5R1U,,,,,,,
,,,T9G:A:402,valid,,,,,CC[C@H](c1ccccc1O)N,
,,,T9G:A:401,valid,,,,,CC[C@H](c1ccccc1O)N,
,,5RC3,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,RAY:A:401,valid,,,,,COCCOCC(=O)Nc1cccc(c1)F,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,5R21,,,,,,,
,,,R9Y:A:401,valid,,,,,CN1CCCc2c1ccc(c2)CN,
,,5RCE,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,RE4:A:402,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,RE4:A:403,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,RE4:A:401,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5RBS,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,NA:A:409,invalid,,,,,[Na+],
,,,R8V:A:401,valid,,,,,CN1[C@H](c2ccccc2C1=O)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5RBU,,,,,,,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:A:408,invalid,,,,,[Na+],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,R97:A:401,valid,,,,,Cc1csc(n1)Cc2ccccn2,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5R2C,,,,,,,
,,,RE4:A:403,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,RE4:A:404,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,RE4:A:402,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,,RE4:A:401,valid,,,,,Cc1cc(nc(n1)N)NCc2cccnc2,
,,5R20,,,,,,,
,,,R9V:A:401,valid,,,,,c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O,
,,5RCC,,,,,,,
,,,RDV:A:401,valid,,,,,C1CCC(C1)CCC(=O)N2CCNCC2,
,,,RDV:A:402,valid,,,,,C1CCC(C1)CCC(=O)N2CCNCC2,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,5RC4,,,,,,,
,,,RB7:A:401,valid,,,,,Cc1cc(ccc1Br)CNCCS(=O)(=O)C,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,5R25,,,,,,,
,,,RBJ:A:401,valid,,,,,CNCc1ccc(cc1)O,
,,,RBJ:A:402,valid,,,,,CNCc1ccc(cc1)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,5R1W,,,,,,,
,,,R8Y:A:401,valid,,,,,CCN(CCC(=O)O)C(=O)c1cccs1,
,,5R23,,,,,,,
,,,RAY:A:401,valid,,,,,COCCOCC(=O)Nc1cccc(c1)F,
,,5RC5,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,NA:A:412,invalid,,,,,[Na+],
,,,RBG:A:401,valid,,,,,CC(C)(C)NC(=O)[C@H]1CCCCN1,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,5RCB,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,RDM:A:405,valid,,,,,CC(=O)N[C@H](CCc1ccccc1)C(=O)O,
,,,NA:A:411,invalid,,,,,[Na+],
,,5RC6,,,,,,,
,,,RBJ:A:401,valid,,,,,CNCc1ccc(cc1)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5RBQ,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,NA:A:412,invalid,,,,,[Na+],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,R8P:A:401,valid,,,,,C[C@@H](c1ccc(cc1)[N+](=O)[O-])O,
,,5R1V,,,,,,,
,,,R8S:A:401,valid,,,,,COc1ccnc(n1)NN,
,,5R1Z,,,,,,,
,,,R9M:A:401,valid,,,,,c1csc(n1)CCC(=O)O,
,,5R2B,,,,,,,
,,,RDY:A:401,valid,,,,,C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1,
,,5RC7,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,AES:A:401,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5RBO,,,,,,,
,,,R8A:A:401,valid,,,,,c1cc(c(nc1)N)CO,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,5R26,,,,,,,
,,,RCV:A:401,valid,,,,,COC(=O)COc1cccc(c1)CN,
,,,RCV:A:402,valid,,,,,COC(=O)COc1cccc(c1)CN,
,,5R1Y,,,,,,,
,,,R9J:A:401,valid,,,,,Cc1ccc(cc1)NC(C)(C)C(=O)O,
,,5RBZ,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,R9S:A:401,valid,,,,,Cc1ccccc1CC(=O)N,
,,,NA:A:409,invalid,,,,,[Na+],
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5R1X,,,,,,,
,,,RQD:A:401,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)F)N,
,,,RQD:A:402,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)F)N,
,,5RC8,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,NA:A:409,invalid,,,,,[Na+],
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,RCV:A:401,valid,,,,,COC(=O)COc1cccc(c1)CN,
,,5RC9,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,RD4:A:402,valid,,,,,[H]/N=C(c1cccc(c1)OCC)/N,
,,,RD4:A:401,valid,,,,,[H]/N=C(c1cccc(c1)OCC)/N,
,,,RD4:A:403,valid,,,,,[H]/N=C(c1cccc(c1)OCC)/N,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,5RBY,,,,,,,
,,,NA:A:405,invalid,,,,,[Na+],
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,R9M:A:406,valid,,,,,c1csc(n1)CCC(=O)O,
,,5RCF,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,RE7:A:401,valid,,,,,C[C@H](c1ccc(cc1)F)NCCn2cccn2,
,,,RE7:A:402,valid,,,,,C[C@H](c1ccc(cc1)F)NCCn2cccn2,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,5R24,,,,,,,
,,,RB7:A:401,valid,,,,,Cc1cc(ccc1Br)CNCCS(=O)(=O)C,
,,5R28,,,,,,,
,,,RDJ:A:401,valid,,,,,CCNC(=O)CSc1nnc(o1)C(C)C,
,,5RBT,,,,,,,
,,,RA7:A:401,valid,,,,,c1c(sc(n1)N2CCOCC2)CO,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,NA:A:409,invalid,,,,,[Na+],
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,5RCD,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:A:411,invalid,,,,,[Na+],
,,,RDY:A:401,valid,,,,,C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,5RBR,,,,,,,
,,,R8S:A:401,valid,,,,,COc1ccnc(n1)NN,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,NA:A:410,invalid,,,,,[Na+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,5R2D,,,,,,,
,,,REG:A:401,valid,,,,,C1CCC(C1)NC(=O)NC[C@@H]2CCCO2,
,,,REG:A:402,valid,,,,,C1CCC(C1)NC(=O)NC[C@@H]2CCCO2,
,,5RC0,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,R9V:A:405,valid,,,,,c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,5R29,,,,,,,
,,,RDM:A:401,valid,,,,,CC(=O)N[C@H](CCc1ccccc1)C(=O)O,
,,5R1T,,,,,,,
,,,R8A:A:401,valid,,,,,c1cc(c(nc1)N)CO,
,,5R2A,,,,,,,
,,,RDV:A:401,valid,,,,,C1CCC(C1)CCC(=O)N2CCNCC2,
,,,RDV:A:402,valid,,,,,C1CCC(C1)CCC(=O)N2CCNCC2,
,,5R27,,,,,,,
,,,RD4:A:402,valid,,,,,[H]/N=C(c1cccc(c1)OCC)/N,
,,,RD4:A:401,valid,,,,,[H]/N=C(c1cccc(c1)OCC)/N,
,,5RBX,,,,,,,
,,,NA:A:405,invalid,,,,,[Na+],
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,R9J:A:406,valid,,,,,Cc1ccc(cc1)NC(C)(C)C(=O)O,
,,,R9J:A:407,valid,,,,,Cc1ccc(cc1)NC(C)(C)C(=O)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,5RC1,,,,,,,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:A:408,invalid,,,,,[Na+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,R9Y:A:401,valid,,,,,CN1CCCc2c1ccc(c2)CN,
,,5RCA,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,NA:A:410,invalid,,,,,[Na+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,,RDJ:A:401,valid,,,,,CCNC(=O)CSc1nnc(o1)C(C)C,
,,5R22,,,,,,,
,,,RA7:A:401,valid,,,,,c1c(sc(n1)N2CCOCC2)CO,
,,5RC2,,,,,,,
,,,R8Y:A:401,valid,,,,,CCN(CCC(=O)O)C(=O)c1cccs1,
,,,NA:A:406,invalid,,,,,[Na+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,5RBW,,,,,,,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,R9G:A:401,valid,,,,,COc1cccc(c1)C(=O)N2CCCC2,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5RBP,,,,,,,
,,,SYG:A:401,valid,,,,,CC[C@@H](c1ccccc1O)N,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,NA:A:410,invalid,,,,,[Na+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
2.3.3.13,,,,,,,,,
,Family. Representative Entry is ,1SR9,,,,,,,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,KIV:A:701,valid,,,,,CC(C)C(=O)C(=O)O,
,,,KIV:B:702,valid,,,,,CC(C)C(=O)C(=O)O,
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,ZN:B:703,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3U6W,,,,,,,
,,,GOL:A:428,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:428,invalid,,,,,C(C(CO)O)O,
,,,KIV:A:427,valid,Kd,=,120,nM,CC(C)C(=O)C(=O)O,
,,,KIV:B:427,valid,Kd,=,120,nM,CC(C)C(=O)C(=O)O,
,,,MN:A:426,Part of Protein,,,,,[Mn+2],
,,,MN:B:426,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3BLI,,,,,,,
,,,ACO:A:1004,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PYR:A:1005,valid,,,,,CC(=O)C(=O)O,
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,3BLE,,,,,,,
,,,MLI:A:701,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
2.4.1.90,,,,,,,,,
,Family. Representative Entry is ,2AGD,,,,,,,
,,,DIO:C:438,invalid,,,,,C1COCCO1,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:421,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:418,invalid,,,,,C(C(CO)O)O,
,,,MES:C:439,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,SO4:A:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,BMA MAN NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,2AE7,,,,,,,
,,,DIO:C:433,invalid,,,,,C1COCCO1,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:418,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:416,invalid,,,,,C(C(CO)O)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,MAN NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN MAN NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,2AEC,,,,,,,
,,,DIO:C:435,invalid,,,,,C1COCCO1,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:420,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:418,invalid,,,,,C(C(CO)O)O,
,,,MES:C:436,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,SO4:A:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,BMA MAN NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,2AES,,,,,,,
,,,DIO:C:435,invalid,,,,,C1COCCO1,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:421,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:418,invalid,,,,,C(C(CO)O)O,
,,,MES:C:436,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,SO4:A:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,BMA MAN NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,,BMA MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)OC(CO)C2O)OC1CO)C,
,,2FYB,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1TVY,,,,,,,
,,,GDU:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:806,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MES:A:860,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:805,Part of Protein,,,,,[Mn+2],
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AH9,,,,,,,
,,,DIO:A:432,invalid,,,,,C1COCCO1,
,,,DIO:C:431,invalid,,,,,C1COCCO1,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:412,invalid,,,,,C(C(CO)O)O,
,,,MES:C:433,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3EE5,,,,,,,
,,,DIO:C:435,invalid,,,,,C1COCCO1,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:420,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:418,invalid,,,,,C(C(CO)O)O,
,,,MES:C:436,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:611,Part of Protein,,,,,[Mn+2],
,,,MN:B:400,Part of Protein,,,,,[Mn+2],
,,,MN:C:400,Part of Protein,,,,,[Mn+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:1399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:C:2399,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,GAL 2NA NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OCC2C=C3C(C=C2)=CCC=C3)OC(CO)C1O)C,
,,,GAL 2NA NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OCC2C=C3C(C=C2)=CCC=C3)OC(CO)C1O)C,
,,,GAL 2NA NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OCC2C=C3C(C=C2)=CCC=C3)OC(CO)C1O)C,
,,1O0R,,,,,,,
,,,DIO:A:905,invalid,,,,,C1COCCO1,
,,,DIO:B:906,invalid,,,,,C1COCCO1,
,,,GDU:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:806,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MES:A:900,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:805,Part of Protein,,,,,[Mn+2],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FR8,,,,,,,
,,,GDU:A:100,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,4KRV,,,,,,,
,,,UDH:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NGS:A:503,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O,
,,,NGS:B:503,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,1TW1,,,,,,,
,,,DIO:A:860,invalid,,,,,C1COCCO1,
,,,DIO:A:861,invalid,,,,,C1COCCO1,
,,,GDU:A:2,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MES:B:870,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,SO4:A:858,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:859,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:855,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:856,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:857,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TW5,,,,,,,
,,,DIO:A:860,invalid,,,,,C1COCCO1,
,,,DIO:B:861,invalid,,,,,C1COCCO1,
,,,MES:A:870,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:805,Part of Protein,,,,,[Mn+2],
,,,SO4:A:852,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:853,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:854,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:855,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:856,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDH:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,UDH:B:806,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OCCCCCCN)O)O,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
3.8.1.3,,,,,,,,,
,Family. Representative Entry is ,3B12,,,,,,,
,,,FAH:A:501,valid,,,,,C(C(=O)O)F,
,,,FAH:B:501,valid,,,,,C(C(=O)O)F,
,,,FAH:B:502,valid,,,,,C(C(=O)O)F,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6QHZ,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,Family. Representative Entry is ,3R3V,,,,,,,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,FAH:A:305,valid,,,,,C(C(=O)O)F,
,,5K3E,,,,,,,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOA:A:401,valid,,,,,C(C(=O)O)O,
,,6QHW,,,,,,,
,,,FAH:B:401,valid,,,,,C(C(=O)O)F,
,,,GOA:A:401,valid,,,,,C(C(=O)O)O,
,,6QKW,,,,,,,
,,,FAH:B:402,valid,,,,,C(C(=O)O)F,
,,,FAH:B:401,valid,,,,,C(C(=O)O)F,
,,,GOA:B:403,valid,,,,,C(C(=O)O)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,,6QHU,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,3R3Z,,,,,,,
,,,GOA:A:305,valid,,,,,C(C(=O)O)O,
,,,GOA:B:305,valid,,,,,C(C(=O)O)O,
,,,GOA:C:305,valid,,,,,C(C(=O)O)O,
,,,GOA:D:305,valid,,,,,C(C(=O)O)O,
,,,NI:A:306,Part of Protein,,,,,[Ni+2],
,,,NI:B:306,Part of Protein,,,,,[Ni+2],
,,,NI:C:306,Part of Protein,,,,,[Ni+2],
,,5K3B,,,,,,,
,,,R3W:A:402,valid,,,,,C(C(=O)O)Cl,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,6QKU,,,,,,,
,,,R3W:A:402,valid,,,,,C(C(=O)O)Cl,
,,,R3W:A:401,valid,,,,,C(C(=O)O)Cl,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,GOA:A:403,valid,,,,,C(C(=O)O)O,
,,6QI3,,,,,,,
,,,GOA:A:401,valid,,,,,C(C(=O)O)O,
,,3R3X,,,,,,,
,,,BXA:A:305,valid,,,,,C(C(=O)O)Br,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,6GXT,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QHX,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,,FAH:B:401,valid,,,,,C(C(=O)O)F,
,,6QHT,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QHS,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QI1,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QHQ,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QKT,,,,,,,
,,,GOA:A:401,valid,,,,,C(C(=O)O)O,
,,6QHV,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,3R3W,,,,,,,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,R3W:A:305,valid,,,,,C(C(=O)O)Cl,
,,6QI2,,,,,,,
,,,GOA:A:401,valid,,,,,C(C(=O)O)O,
,,5SWN,,,,,,,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QHY,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6GXD,,,,,,,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,6QI0,,,,,,,
,,,FAH:A:401,valid,,,,,C(C(=O)O)F,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,GOA:B:401,valid,,,,,C(C(=O)O)O,
,Family. Representative Entry is ,6QHP,,,,,,,
,,,FAH:A:401,invalid,,,,,C(C(=O)O)F,
,,,FAH:B:401,valid,,,,,C(C(=O)O)F,
1.1.1.284,,,,,,,,,
,Family. Representative Entry is ,7AAU,,,,,,,
,,,PEG:F:405,invalid,,,,,C(COCCO)O,
,,,PEG:F:404,invalid,,,,,C(COCCO)O,
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,,,PEG:C:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:D:406,invalid,,,,,C(COCCO)O,
,,,NAD:C:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:F:406,invalid,,,,,[Cl-],
,,,CL:C:407,invalid,,,,,[Cl-],
,,,CL:F:407,invalid,,,,,[Cl-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:F:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:F:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,,PEG PEG:A:404,invalid,,,,,,
,,,PEG PEG:E:404,invalid,,,,,,
,,,PEG PEG:D:404,invalid,,,,,,
,,,PEG PEG:B:404,invalid,,,,,,
,,,MG:F:408,Part of Protein,,,,,[Mg+2],
4.2.3.37,,,,,,,,,
,Family. Representative Entry is ,7KJG,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTM:A:406,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,7KJD,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RIS:A:405,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,3KB9,,,,,,,
,,,BTM:A:704,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,POP:A:703,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7KJ8,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,210:A:405,valid,,,,,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,
,,6AXM,,,,,,,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,BTM:A:405,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,4LUU,,,,,,,
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,BTM:A:704,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,POP:A:703,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,6AXN,,,,,,,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,BTM:A:405,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7KJF,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NRD:A:405,valid,,,,,C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN,
,,4LXW,,,,,,,
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,BTM:A:704,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,POP:A:703,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4LZ0,,,,,,,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,BTM:A:405,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LTZ,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,POP:A:405,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTM:A:406,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,3LG5,,,,,,,
,,,BTM:A:704,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,POP:A:703,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6AXU,,,,,,,
,,,POP:A:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,BTM:A:401,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,7KJ9,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RIS:A:405,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,6OFV,,,,,,,
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,BTM:A:405,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,7KJE,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NRD:A:405,valid,,,,,C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN,
,,4LZ3,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,PI:A:410,invalid,,,,,OP(=O)([O-])[O-],
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,BTM:A:409,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
,,,POP:A:408,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,6AX9,,,,,,,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,BTM:A:405,valid,,,,,CC[N+](CC)(CC)Cc1ccccc1,
2.4.1.22,,,,,,,,,
,Family. Representative Entry is ,1YRO,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:124,Part of Protein,,,,,[Ca+2],
,,,GDU:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:528,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MES:A:805,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:D:529,Part of Protein,,,,,[Mn+2],
,,,PG4:A:806,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:807,invalid,,,,,C(COCCOCCOCCO)O,
,,,UDP:B:405,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:530,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NHE,,,,,,,
,,,CA:A:805,Part of Protein,,,,,[Ca+2],
,,,CA:C:806,Part of Protein,,,,,[Ca+2],
,,,PG4:A:813,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:814,invalid,,,,,C(COCCOCCOCCO)O,
,,,UDP:B:809,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:810,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NF5,,,,,,,
,,,BGC:B:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:527,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,,EDO:C:128,invalid,,,,,C(CO)O,
,,,PG4:A:126,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,1O23,,,,,,,
,,,CA:A:805,Part of Protein,,,,,[Ca+2],
,,,CA:C:806,Part of Protein,,,,,[Ca+2],
,,,MES:A:815,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:B:807,Part of Protein,,,,,[Mn+2],
,,,MN:D:808,Part of Protein,,,,,[Mn+2],
,,,PG4:A:813,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:814,invalid,,,,,C(COCCOCCOCCO)O,
,,,UDP:B:811,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:812,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UPG:B:809,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:810,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2FYC,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,,CA:D:527,Part of Protein,,,,,[Ca+2],
,,,GDU:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:528,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MES:A:805,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,UDP:B:405,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:529,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1PZY,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:404,Part of Protein,,,,,[Ca+2],
,,,MN:B:408,Part of Protein,,,,,[Mn+2],
,,,MN:D:410,Part of Protein,,,,,[Mn+2],
,,,NAG:B:405,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:406,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UDP:B:407,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:409,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NMM,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,,NAG:B:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:527,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PG4:D:528,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:529,invalid,,,,,C(COCCOCCOCCO)O,
,,1NWG,,,,,,,
,,,BGN:B:403,valid,,,,,CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGN:D:527,valid,,,,,CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,2FYD,,,,,,,
,,,BGC:B:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:530,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,,MES:A:805,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:806,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MN:B:405,Part of Protein,,,,,[Mn+2],
,,,MN:D:527,Part of Protein,,,,,[Mn+2],
,,,NGA:B:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:529,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,PG4:A:850,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:851,invalid,,,,,C(COCCOCCOCCO)O,
,,,UDP:B:406,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:528,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NKH,,,,,,,
,,,CA:A:805,Part of Protein,,,,,[Ca+2],
,,,CA:C:806,Part of Protein,,,,,[Ca+2],
,,,MN:B:807,Part of Protein,,,,,[Mn+2],
,,,MN:D:808,Part of Protein,,,,,[Mn+2],
,,,PG4:A:813,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:815,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:817,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:814,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:816,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:B:809,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:811,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:810,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:812,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1OQM,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:124,Part of Protein,,,,,[Ca+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:D:403,Part of Protein,,,,,[Mn+2],
,,,PG4:A:814,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:813,invalid,,,,,C(COCCOCCOCCO)O,
,,,UD2:B:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:D:528,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1NQI,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:C:526,Part of Protein,,,,,[Ca+2],
,,,NAG:B:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:527,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
3.1.4.52,,,,,,,,,
,Family. Representative Entry is ,3HV8,,,,,,,
,,,C2E:A:900,valid,Kd,=,104.2,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,4AFY,,,,,,,
,,,NA:A:804,Part of Protein,,,,,[Na+],
,,,NA:A:803,Part of Protein,,,,,[Na+],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,G   G  :D:1,valid,,,,,,
,,,G   G  :C:1,valid,,,,,,
3.4.24.23,,,,,,,,,
,Family. Representative Entry is ,1MMQ,,,,,,,
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,RRS:A:269,valid,Ki,=,0.03,uM,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,2Y6C,,,,,,,
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQI:A:1269,valid,ic50,=,0.0001,M,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NS(=O)(=O)c3ccc(c(c3)C(F)(F)F)Cl,
,,,ZN:A:1266,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1267,Part of Protein,,,,,[Zn+2],
,,1MMP,,,,,,,
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:4,Part of Protein,,,,,[Ca+2],
,,,RSS:A:269,valid,Ki,=,0.85,uM,CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O,
,,,RSS:B:269,valid,Ki,=,0.85,uM,CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,1MMR,,,,,,,
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,SRS:A:269,valid,Ki,=,4,uM,CC(C)C[C@H](CS(=N)(=N)C)C(=O)N[C@H]1Cc2cn(c3c2cccc3)CCCCCCNC1=O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
5.3.1.16,,,,,,,,,
,Family. Representative Entry is ,5A5W,,,,,,,
,,,GUO:A:1246,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N,
,,5AB3,,,,,,,
,,,NA:A:1246,invalid,,,,,[Na+],
,,,NA:B:1246,invalid,,,,,[Na+],
,,,NA:C:1246,invalid,,,,,[Na+],
,,,NA:B:1247,Part of Protein,,,,,[Na+],
,,,2ER:C:1245,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N,
,,,2ER:B:1245,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N,
,,,2ER:A:1245,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N,
,,5G4W,,,,,,,
,,,GUO:A:1245,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N,
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1246,invalid,,,,,C(C(CO)O)O,
,,5AHF,,,,,,,
,,,GUO:A:1245,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C(=O)N,
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1246,invalid,,,,,C(C(CO)O)O,
4.1.2.40,,,,,,,,,
,Family. Representative Entry is ,1GVF,,,,,,,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1292,invalid,,,,,C(CO)O,
,,,EDO:A:1293,invalid,,,,,C(CO)O,
,,,EDO:A:1294,invalid,,,,,C(CO)O,
,,,EDO:B:1288,invalid,,,,,C(CO)O,
,,,EDO:B:1289,invalid,,,,,C(CO)O,
,,,EDO:B:1290,invalid,,,,,C(CO)O,
,,,EDO:B:1291,invalid,,,,,C(CO)O,
,,,EDO:B:1292,invalid,,,,,C(CO)O,
,,,EDO:B:1293,invalid,,,,,C(CO)O,
,,,EDO:B:1294,invalid,,,,,C(CO)O,
,,,EDO:B:1295,invalid,,,,,C(CO)O,
,,,NA:A:289,Part of Protein,,,,,[Na+],
,,,NA:B:289,Part of Protein,,,,,[Na+],
,,,PGH:A:287,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:287,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,ZN:A:288,Part of Protein,,,,,[Zn+2],
,,,ZN:B:288,Part of Protein,,,,,[Zn+2],
2.4.99.16,,,,,,,,,
,Family. Representative Entry is ,4U31,,,,,,,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,CIT:A:702,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:702,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GPM GLC:D:1,valid,ic50,=,102,uM,P(=O)([O-])([O-])CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,GPM GLC:C:1,valid,ic50,=,102,uM,P(=O)([O-])([O-])CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,4U2Z,,,,,,,
,,,TW7 GLC:C:1,valid,,,,,,
,,,TW7 GLC:D:1,valid,,,,,,
,,3ZST,,,,,,,
,,,EDO:A:750,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,ic50,~,19,mM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,ic50,~,19,mM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5LGW,,,,,,,
,,,GLC GLC GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,CIT:A:718,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,BGC GLC:H:1,valid,,,,,,
,,,BGC GLC:G:1,valid,,,,,,
,,4CN6,,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,,,BGC GLC:D:1,valid,,,,,,
,,5CVS,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3ZT6,,,,,,,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC GLC GLC:K:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:I:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,4U2Y,,,,,,,
,,,RZM:A:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,RZM:B:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,3ZT7,,,,,,,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC GLC GLC GLC:I:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:K:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3ZT5,,,,,,,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5LGV,,,,,,,
,,,GLC GLC GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,5CGM,,,,,,,
,,,1PE:B:714,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:716,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,NA:A:712,Part of Protein,,,,,[Na+],
,,,NA:A:713,invalid,,,,,[Na+],
,,,NA:A:711,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:B:709,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:B:708,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:B:710,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:B:704,invalid,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,NA:A:714,Part of Protein,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,NA:B:711,invalid,,,,,[Na+],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,EDO:A:724,invalid,,,,,C(CO)O,
,,,EDO:A:726,invalid,,,,,C(CO)O,
,,,EDO:A:727,invalid,,,,,C(CO)O,
,,,EDO:A:728,invalid,,,,,C(CO)O,
,,,EDO:A:731,invalid,,,,,C(CO)O,
,,,EDO:A:725,invalid,,,,,C(CO)O,
,,,EDO:A:729,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:A:730,invalid,,,,,C(CO)O,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,PGE:A:717,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:713,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:719,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:720,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:718,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:A:715,invalid,,,,,[Cl-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:723,invalid,,,,,C(COCCO)O,
,,,PEG:A:722,invalid,,,,,C(COCCO)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,PEG:A:721,invalid,,,,,C(COCCO)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
3.4.22.10,,,,,,,,,
,Family. Representative Entry is ,6UQD,,,,,,,
,,,QF4:A:501,valid,ic50,=,29,nM,c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N,
,,,QF4:B:501,valid,ic50,=,29,nM,c1ccc(cc1)COC(=O)N[C@@H](Cc2cccc(c2)N=[S@](=O)(N3CCC(CC3)C(=O)N)F)C#N,
,Family. Representative Entry is ,4RKX,,,,,,,
,,,3S9:A:502,valid,Ki,=,8,uM,c1ccc(cc1)COC(=O)NCC#N,
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
4.2.3.38,,,,,,,,,
,Family. Representative Entry is ,3SDV,,,,,,,
,,,911:A:822,valid,,,,,CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,CL:A:818,invalid,,,,,[Cl-],
,,,MG:A:819,Part of Protein,,,,,[Mg+2],
,,,MG:A:820,Part of Protein,,,,,[Mg+2],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
,,3SDT,,,,,,,
,,,AHD:A:822,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,CL:A:818,invalid,,,,,[Cl-],
,,,GOL:A:823,invalid,,,,,C(C(CO)O)O,
,,,MG:A:819,Part of Protein,,,,,[Mg+2],
,,,MG:A:820,Part of Protein,,,,,[Mg+2],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
,,3SDU,,,,,,,
,,,CL:A:818,invalid,,,,,[Cl-],
,,,GST:A:823,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:819,Part of Protein,,,,,[Mg+2],
,,,MG:A:820,Part of Protein,,,,,[Mg+2],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
,,3SAE,,,,,,,
,,,CL:A:818,invalid,,,,,[Cl-],
,,,FPS:A:822,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GOL:A:823,invalid,,,,,C(C(CO)O)O,
,,,MG:A:819,Part of Protein,,,,,[Mg+2],
,,,MG:A:820,Part of Protein,,,,,[Mg+2],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
,,3SDR,,,,,,,
,,,210:A:822,valid,,,,,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,
,,,CL:A:818,invalid,,,,,[Cl-],
,,,MG:A:819,Part of Protein,,,,,[Mg+2],
,,,MG:A:820,Part of Protein,,,,,[Mg+2],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
3.4.24.82,,,,,,,,,
,Family. Representative Entry is ,4WKI,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,3PW:A:506,valid,ic50,=,5,nM,Cn1ccnc1[C@]2(C(=O)NC(=O)N2)CNC(=O)c3cc4cc(ccc4o3)Cl,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,4WKE,,,,,,,
,,,3PU:A:508,valid,ic50,=,8,nM,c1cc2c(cc1Cl)cc(o2)C(=O)NC[C@@]3(C(=O)NC(=O)N3)c4nccs4,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4WK7,,,,,,,
,,,3PQ:A:505,valid,ic50,=,74,nM,C[C@]1(C(=O)NC(=O)N1)CNC(=O)COc2ccc(cc2)Cl,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
4.1.1.64,,,,,,,,,
,Family. Representative Entry is ,1ZC9,,,,,,,
,,,K:A:500,Part of Protein,,,,,[K+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,PMP:A:502,valid,Kd,=,0.6,mM,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1D7U,,,,,,,
,,,K:A:436,Part of Protein,,,,,[K+],
,,,LCS:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,NA:A:435,Part of Protein,,,,,[Na+],
,,1M0O,,,,,,,
,,,K:A:435,Part of Protein,,,,,[K+],
,,,MPM:A:434,valid,Ki,=,4.9,mM,CC[C@](C)(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)P(=O)(O)O,
,,,NA:A:436,Part of Protein,,,,,[Na+],
,,1M0N,,,,,,,
,,,HCP:A:434,valid,Ki,=,6,mM,Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2(CCCC2)P(=O)(O)O)O,
,,,K:A:435,Part of Protein,,,,,[K+],
,,,NA:A:436,Part of Protein,,,,,[Na+],
,,1M0Q,,,,,,,
,,,EPC:A:435,valid,Ki,=,1.1,mM,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H](C)P(=O)(O)O)O,
,,,K:A:434,Part of Protein,,,,,[K+],
,,,NA:A:436,Part of Protein,,,,,[Na+],
,,1D7R,,,,,,,
,,,5PA:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,K:A:436,Part of Protein,,,,,[K+],
,,,NA:A:435,Part of Protein,,,,,[Na+],
,,1D7S,,,,,,,
,,,DCS:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,K:A:436,Part of Protein,,,,,[K+],
,,,NA:A:435,Part of Protein,,,,,[Na+],
1.11.1.11,,,,,,,,,
,Family. Representative Entry is ,2VCN,,,,,,,
,,,HEM:A:1251,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ISZ:A:1254,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:A:1255,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:A:1256,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,SO4:A:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VCS,,,,,,,
,,,HEM:A:1251,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ISZ:A:1252,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:A:1253,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,SO4:A:1254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VCF,,,,,,,
,,,HEM:X:1254,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ISZ:X:1252,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:X:1253,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,NA:X:1255,Part of Protein,,,,,[Na+],
2.7.11.2,,,,,,,,,
,Family. Representative Entry is ,2Q8G,,,,,,,
,,,AZX:A:438,valid,ic50,=,0.087,uM,C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2ccc(cc2)C(=O)N(C)C)(C(F)(F)F)O,
,,,K:A:437,Part of Protein,,,,,[K+],
,,2Q8H,,,,,,,
,,,K:A:437,Part of Protein,,,,,[K+],
,,,TF4:A:438,valid,Ki,=,1,mM,C(C(=O)O)(Cl)Cl,
,Family. Representative Entry is ,2ZKJ,,,,,,,
,,,ADP:A:501,valid,Kd,=,3.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,Kd,=,3.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3D2R,,,,,,,
,,,ADP:A:501,valid,Kd,=,3.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,Kd,=,3.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,2ZDY,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:600,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:1500,Part of Protein,,,,,[Mg+2],
,,2E0A,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:1500,Part of Protein,,,,,[Mg+2],
1.14.13.23,,,,,,,,,
,Family. Representative Entry is ,2DKH,,,,,,,
,,,3HB:A:641,valid,,,,,c1cc(cc(c1)O)C(=O)O,
,,,FAD:A:640,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:642,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:643,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:644,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2DKI,,,,,,,
,,,FAD:A:640,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:641,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:642,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:643,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XE:A:644,invalid,,,,,[Xe],
,,,XE:A:645,invalid,,,,,[Xe],
,,,XE:A:646,invalid,,,,,[Xe],
2.1.1.34,,,,,,,,,
,Family. Representative Entry is ,1V2X,,,,,,,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:400,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
2.7.8.11,,,,,,,,,
,Family. Representative Entry is ,6H59,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OLB:B:309,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:310,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:316,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:312,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:308,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:314,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:311,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:313,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:317,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:311,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:312,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:310,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:315,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:314,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,PGE:A:308,invalid,,,,,C(COCCOCCO)O,
,,,FQT:A:309,valid,,,,,CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC,
,,,FQT:B:307,valid,,,,,CCCCCC(=O)OC[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCCC,
,,,1PE:B:313,invalid,,,,,C(COCCOCCOCCOCCO)O,
5.1.1.10,,,,,,,,,
,Family. Representative Entry is ,2GGH,,,,,,,
,,,MG:A:1377,Part of Protein,,,,,[Mg+2],
,,,MG:B:2377,Part of Protein,,,,,[Mg+2],
,,,MG:C:3377,Part of Protein,,,,,[Mg+2],
,,,MG:D:4377,Part of Protein,,,,,[Mg+2],
,,,NLQ:C:1376,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
,,,NLQ:D:2376,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
,,1XPY,,,,,,,
,,,MG:A:1377,Part of Protein,,,,,[Mg+2],
,,,MG:B:2377,Part of Protein,,,,,[Mg+2],
,,,MG:C:3377,Part of Protein,,,,,[Mg+2],
,,,MG:D:4377,Part of Protein,,,,,[Mg+2],
,,,NLQ:C:3376,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
,,,NLQ:D:4376,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
1.16.3.1,,,,,,,,,
,Family. Representative Entry is ,5N26,,,,,,,
,,,73M:A:202,valid,,,,,N[Pt](N)(O)Cl,
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,MG:A:212,invalid,,,,,[Mg+2],
,,,MG:A:213,invalid,,,,,[Mg+2],
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:211,invalid,,,,,[Mg+2],
,,,MG:A:215,Part of Protein,,,,,[Mg+2],
,,,CPT:A:204,invalid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:203,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:201,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,Family. Representative Entry is ,7K5H,,,,,,,
,,,VXV:H:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:C:203,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:L:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:F:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:K:201,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:B:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:J:201,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:D:203,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:E:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:A:203,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXV:C:202,valid,Kd,=,0.35,uM,c1cc2c(c(c1)NCCCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,HEM:L:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:D:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,6NLM,,,,,,,
,,,KT1:C:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:J:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:L:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:H:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:F:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:I:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:D:202,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:K:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:G:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:A:202,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:E:201,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,KT1:B:202,valid,Kd,=,5,uM,COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O,
,,,PG4:H:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:F:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FE2:B:201,Part of Protein,,,,,[Fe+2],
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:D:201,Part of Protein,,,,,[Fe+2],
,,6NLL,,,,,,,
,,,HEM:E:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:I:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:205,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FE2:B:204,Part of Protein,,,,,[Fe+2],
,,,FE2:D:205,Part of Protein,,,,,[Fe+2],
,,,FE2:A:205,Part of Protein,,,,,[Fe+2],
,,,PG4:H:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:L:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:L:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,KT4:E:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:I:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:G:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:A:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:J:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:B:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:K:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:F:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:H:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:L:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:D:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,,KT4:C:201,valid,Kd,=,4,uM,c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC2=O,
,,6NLN,,,,,,,
,,,KSY:A:203,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:K:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:H:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:G:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:F:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:L:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:B:202,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:A:202,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:I:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:D:202,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:E:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:J:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,KSY:C:201,valid,Kd,=,6,uM,c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O,
,,,PG4:H:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:L:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:F:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FE2:B:201,Part of Protein,,,,,[Fe+2],
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:D:201,Part of Protein,,,,,[Fe+2],
,,7K5E,,,,,,,
,,,VXM:G:201,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:J:201,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:C:202,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:I:201,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:E:201,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:D:203,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:B:203,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,VXM:H:202,valid,Kd,=,7,uM,c1cc2c(c(c1)NCc3cc(ccc3O)F)C(=O)NC2=O,
,,,HEM:L:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:D:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,6NLK,,,,,,,
,,,KTG:J:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:I:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:K:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:G:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:C:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:F:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:D:202,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:B:202,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:E:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:H:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:A:202,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,KTG:L:201,valid,Kd,=,3,uM,c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O,
,,,PG4:H:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:L:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:F:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FE2:B:201,Part of Protein,,,,,[Fe+2],
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:D:201,Part of Protein,,,,,[Fe+2],
,,6NLJ,,,,,,,
,,,K:D:202,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,KTV:E:201,valid,Kd,=,15,uM,c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O,
,,,KTV:K:201,valid,Kd,=,15,uM,c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O,
,,,KTV:D:201,valid,Kd,=,15,uM,c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O,
,,7K5F,,,,,,,
,,,VXP:L:202,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXP:D:203,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXP:E:201,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXP:J:202,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXP:K:201,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,VXP:H:201,valid,Kd,=,11,uM,c1cc2c(c(c1)NCc3cc(cc(c3)Cl)O)C(=O)NC2=O,
,,,HEM:B:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:J:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:D:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,6NLI,,,,,,,
,,,KTM:D:203,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:J:202,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:A:203,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:B:202,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:H:201,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:C:202,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:E:202,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:G:201,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,KTM:I:201,valid,Kd,=,11,uM,c1ccc(c(c1)CNc2cccc3c2C(=O)NC3=O)O,
,,,PG4:C:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:L:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:J:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FE2:B:201,Part of Protein,,,,,[Fe+2],
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:D:201,Part of Protein,,,,,[Fe+2],
,,7K5G,,,,,,,
,,,VXS:L:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:J:201,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:A:203,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:B:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:K:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:C:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:E:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:F:201,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:H:202,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:D:203,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,VXS:I:201,valid,Kd,=,1.4,uM,c1ccc(c(c1)CCCNc2cccc3c2C(=O)NC3=O)O,
,,,HEM:L:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:K:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:D:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:B:201,Part of Protein,,,,,[K+],
,,6NLG,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:B:201,Part of Protein,,,,,[K+],
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MPD:B:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:203,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:203,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:203,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,KT7:A:201,valid,,,,,c1cc2c(cc1O)C(=O)NC2=O,
,,,KT7:C:201,valid,,,,,c1cc2c(cc1O)C(=O)NC2=O,
,,,KT7:D:201,valid,,,,,c1cc2c(cc1O)C(=O)NC2=O,
,Family. Representative Entry is ,6P8K,,,,,,,
,,,ZN:K:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:G:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:J:202,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:F:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,NA:D:202,Part of Protein,,,,,[Na+],
,,,ZNH:A:202,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:G:202,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:C:202,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:K:202,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:J:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:E:202,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,MLI:A:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:J:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:J:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:206,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6P8L,,,,,,,
,,,MLI:A:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:201,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:J:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:206,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:J:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:203,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:205,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:204,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,NA:F:203,Part of Protein,,,,,[Na+],
,,,NA:D:203,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,ZN:L:202,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:G:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:K:202,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:202,Part of Protein,,,,,[Zn+2],
,,,ZN:J:202,Part of Protein,,,,,[Zn+2],
,,,ZN:F:202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZNH:D:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:H:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:L:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:B:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:J:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
,,,ZNH:F:201,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C,
1.2.1.70,,,,,,,,,
,Family. Representative Entry is ,1GPJ,,,,,,,
,,,CIT:A:1407,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLU GMC:A:1406,valid,,,,,O=C(NC1C(O)C(n2c3ncnc(N(C)C)c3nc2)OC1CO)C([NH3+])CCC(=O)[O-],
1.2.7.10,,,,,,,,,
,Family. Representative Entry is ,5EXE,,,,,,,
,,,NA:F:404,Part of Protein,,,,,[Na+],
,,,SF4:E:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,5SR:F:402,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-],
,,,5SR:C:402,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)O)CCOP(=O)(O)OP(=O)(O)[O-],
,,5EXD,,,,,,,
,,,SF4:H:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:H:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:C:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:L:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:I:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:L:403,Part of Protein,,,,,[Mg+2],
,,,MG:I:403,Part of Protein,,,,,[Mg+2],
,,,O2T:F:402,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C(=O)O)(O)O)CCOP(=O)(O)OP(=O)(O)[O-],
,,5C4I,,,,,,,
,,,NA:F:404,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,TPP:C:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,SF4:E:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
1.14.13.178,,,,,,,,,
,Family. Representative Entry is ,6ICN,,,,,,,
,,,CFF:A:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:C:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,FES:C:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:C:401,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,6ICQ,,,,,,,
,,,FES:C:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,37T:A:402,valid,,,,,Cn1cnc2c1C(=O)NC(=O)N2C,
,,,37T:C:402,valid,,,,,Cn1cnc2c1C(=O)NC(=O)N2C,
,,,37T:B:402,valid,,,,,Cn1cnc2c1C(=O)NC(=O)N2C,
,,6ICP,,,,,,,
,,,CFF:A:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:C:402,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,FES:C:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,6ICO,,,,,,,
,,,TEP:B:402,valid,,,,,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:A:402,valid,,,,,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:C:402,valid,,,,,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,FES:C:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:400,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:C:401,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
2.3.1.29,,,,,,,,,
,Family. Representative Entry is ,1FC4,,,,,,,
,,,AKB PLP:A:1200,valid,,,,,P(=O)(OCC=1C(C[NH2+]C(C(=O)[O-])C(=O)C)C(O)=C(C)NC=1)([O-])[O-],
,,,AKB PLP:B:1202,valid,,,,,P(=O)(OCC=1C(C[NH2+]C(C(=O)[O-])C(=O)C)C(O)=C(C)NC=1)([O-])[O-],
1.17.1.8,,,,,,,,,
,Family. Representative Entry is ,5EES,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
1.13.11.8,,,,,,,,,
,Family. Representative Entry is ,1B4U,,,,,,,
,,,DHB:B:503,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:D:504,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
6.1.1.16,,,,,,,,,
,Family. Representative Entry is ,3C8Z,,,,,,,
,,,1PE:A:419,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,5CA:A:418,valid,Ki,=,300,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N,
,,,5CA:B:416,valid,Ki,=,300,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CS)N)O)O)N,
,,,EPE:B:417,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:413,Part of Protein,,,,,[Zn+2],
,,,ZN:B:413,Part of Protein,,,,,[Zn+2],
3.6.5.3,,,,,,,,,
,Family. Representative Entry is ,2C78,,,,,,,
,,,GNP:A:1406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1407,Part of Protein,,,,,[Mg+2],
,,,PUL:A:1408,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C)[C@H](C=CC=CC=CC(=O)[C@@H](C)[C@H]([C@H](C)[C@@H]2CC=CC=CC=C[C@@H](C(=O)C(=CC=CC(=C[C@H](/C(=C/CC(=O)O2)/C)O)C)C)O)O)O)OC)O)OC,
,,4H9G,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,14J:A:512,valid,,,,,c1cc(oc1C(=O)O)Br,
,,,NH4:A:503,invalid,,,,,[NH4+],
,,4LBZ,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,4LC0,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,1EXM,,,,,,,
,,,GNP:A:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,1EFT,,,,,,,
,,,GNP:A:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,4LBV,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,4LBW,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,1HA3,,,,,,,
,,,BME:A:482,invalid,,,,,C(CS)O,
,,,BME:B:482,invalid,,,,,C(CS)O,
,,,GDP:A:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MAU:A:408,valid,,,,,CC[C@H](C(=O)NCC=CC=C(/C)[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)C=CC=CC=C(/C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)C=CC=C/C)(C)C)O)O)O,
,,,MAU:B:408,valid,,,,,CC[C@H](C(=O)NCC=CC=C(/C)[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)C=CC=CC=C(/C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)C=CC=C/C)(C)C)O)O)O,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:B:407,Part of Protein,,,,,[Mg+2],
3.4.11.5,,,,,,,,,
,Family. Representative Entry is ,1XRO,,,,,,,
,,,LEU:A:301,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,1XQX,,,,,,,
,,,PCS:A:300,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)CCl)N,
,,1XQW,,,,,,,
,,,PHE LEU:A:300,valid,,,,,O=C([O-])C(NC(=O)C(N)Cc1ccccc1)CC(C)C,
,,,PHE LEU:A:302,valid,,,,,O=C([O-])C(NC(=O)C(N)Cc1ccccc1)CC(C)C,
,,1XRP,,,,,,,
,,,PRO:A:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO LEU GLY GLY:Q:401,valid,,,,,O=C(NCC(=O)NCC(=O)[O-])C(NC(=O)C1[NH2+]CCC1)CC(C)C,
,,1XRR,,,,,,,
,,,PRO:A:300,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,Family. Representative Entry is ,1WM1,,,,,,,
,,,PTB:A:401,valid,Ki,=,0.5,uM,CC(C)(C)c1nnc(o1)C(=O)[C@@H]2CCCN2,
,,1X2B,,,,,,,
,,,STX:A:401,valid,,,,,CC(C)(C)c1nnc(o1)C(=O)CNC,
,,1X2E,,,,,,,
,,,ATX:A:401,valid,,,,,C[C@@H](C(=O)c1nnc(o1)C(C)(C)C)N,
3.1.1.17,,,,,,,,,
,Family. Representative Entry is ,3EB9,,,,,,,
,,,FLC:A:3209,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:3209,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,3E7F,,,,,,,
,,,6PG:A:843,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:843,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4GNC,,,,,,,
,,,ASO:A:302,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:A:303,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:302,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:304,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:303,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4GN8,,,,,,,
,,,ASO:B:313,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:317,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:314,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:A:306,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:A:305,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:316,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:A:307,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:A:304,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ASO:B:315,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GNA,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYL:A:302,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:301,invalid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,4GN9,,,,,,,
,,,BGC:A:305,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:306,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:309,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:310,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.274,,,,,,,,,
,Family. Representative Entry is ,1VP5,,,,,,,
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.5.1.38,,,,,,,,,
,Family. Representative Entry is ,6WYY,,,,,,,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6WYW,,,,,,,
,,,ASP:A:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6WYX,,,,,,,
,,,ASP:A:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,6WYZ,,,,,,,
,,,DGL:A:401,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:C:401,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:401,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:D:401,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
3.6.4.12,,,,,,,,,
,Family. Representative Entry is ,6YHR,,,,,,,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ADP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4A15,,,,,,,
,,,CA:A:1620,Part of Protein,,,,,[Ca+2],
,,,DT  DA  DC  DG:E:1,valid,,,,,,
,,,SF4:A:1616,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:1617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1619,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5LB3,,,,,,,
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ADP:E:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:E:503,invalid,,,,,[Mg+2],
,,5LB5,,,,,,,
,,,ADP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:D:503,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,DMS:D:502,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6K0R,,,,,,,
,,,CU0:L:501,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)O,
,,,CUU:H:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:I:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:K:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:G:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,CUU:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)OP(=O)(O)O)O)N,
,,,3AT:J:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3AT:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:L:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6HPH,,,,,,,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,6HPQ,,,,,,,
,,,BR:A:807,invalid,,,,,[Br-],
,,,BR:B:805,invalid,,,,,[Br-],
,,,BR:B:806,invalid,,,,,[Br-],
,,,BR:A:803,invalid,,,,,[Br-],
,,,BR:A:806,invalid,,,,,[Br-],
,,,BR:A:805,invalid,,,,,[Br-],
,,,BR:B:803,invalid,,,,,[Br-],
,,,BR:B:804,invalid,,,,,[Br-],
,,,BR:A:804,invalid,,,,,[Br-],
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5FTB,,,,,,,
,,,K:A:1440,Part of Protein,,,,,[K+],
,,,K:A:1442,Part of Protein,,,,,[K+],
,,,K:A:1439,invalid,,,,,[K+],
,,,K:A:1441,invalid,,,,,[K+],
,,,K:A:1437,Part of Protein,,,,,[K+],
,,,K:A:1436,invalid,,,,,[K+],
,,,K:A:1438,invalid,,,,,[K+],
,,,K:A:1433,invalid,,,,,[K+],
,,,K:A:1432,Part of Protein,,,,,[K+],
,,,ANP:A:1434,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1435,Part of Protein,,,,,[Mg+2],
,,5FTF,,,,,,,
,,,ADP:A:1432,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5FTC,,,,,,,
,,,CA:A:1433,Part of Protein,,,,,[Ca+2],
,,,CA:A:1434,Part of Protein,,,,,[Ca+2],
,,,ADP:A:1432,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5FHF,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:A:502,invalid,,,,,F[Al-](F)(F)F,
3.4.23.4,,,,,,,,,
,Family. Representative Entry is ,1CZI,,,,,,,
,,,PRO PHI SMC NOR:P:4,valid,,,,,,
6.3.2.13,,,,,,,,,
,Family. Representative Entry is ,1E8C,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,UAG API:A:1498,valid,,,,,P(=O)(OP(=O)(OC1C(NC(=O)C)C(OC(C(=O)NC(C(=O)NC(C(=O)[O-])CCC(=O)NC(C(=O)[O-])CCCC([NH3+])C(=O)[O-])C)C)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,,,UAG API:B:1498,valid,,,,,P(=O)(OP(=O)(OC1C(NC(=O)C)C(OC(C(=O)NC(C(=O)NC(C(=O)[O-])CCC(=O)NC(C(=O)[O-])CCCC([NH3+])C(=O)[O-])C)C)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
4.1.2.5,,,,,,,,,
,Family. Representative Entry is ,1LW4,,,,,,,
,,,CA:A:1056,Part of Protein,,,,,[Ca+2],
,,,CA:B:1054,Part of Protein,,,,,[Ca+2],
,,,CA:B:1057,Part of Protein,,,,,[Ca+2],
,,,CA:B:1058,Part of Protein,,,,,[Ca+2],
,,,CA:D:1055,Part of Protein,,,,,[Ca+2],
,,,CA:D:1059,Part of Protein,,,,,[Ca+2],
,,,CL:A:1060,invalid,,,,,[Cl-],
,,,CL:A:1064,invalid,,,,,[Cl-],
,,,CL:B:1063,invalid,,,,,[Cl-],
,,,CL:B:1065,invalid,,,,,[Cl-],
,,,CL:C:1061,invalid,,,,,[Cl-],
,,,CL:D:1062,invalid,,,,,[Cl-],
,,,PLP:B:1053,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,TLP:B:1050,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O,
,,,TLP:C:1051,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O,
,,,TLP:D:1052,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C(C)O)C(=O)O)O,
,,1LW5,,,,,,,
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:A:1006,Part of Protein,,,,,[Ca+2],
,,,CA:B:1007,Part of Protein,,,,,[Ca+2],
,,,CA:B:1008,Part of Protein,,,,,[Ca+2],
,,,CA:C:1004,Part of Protein,,,,,[Ca+2],
,,,CA:D:1009,Part of Protein,,,,,[Ca+2],
,,,CL:A:1010,invalid,,,,,[Cl-],
,,,CL:B:1012,invalid,,,,,[Cl-],
,,,CL:B:1013,invalid,,,,,[Cl-],
,,,CL:D:1011,invalid,,,,,[Cl-],
,,,CL:D:1014,invalid,,,,,[Cl-],
,,,CL:D:1015,invalid,,,,,[Cl-],
,,,PLG:B:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:D:1002,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLP:B:1003,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4LNL,,,,,,,
,,,2BK:A:403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@H](C)O)C(=O)O)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,EPE:B:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PLG:B:403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,2BO:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]([C@@H](C)O)C(=O)O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
2.7.2.2,,,,,,,,,
,Family. Representative Entry is ,4JZ8,,,,,,,
,,,CIT:D:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4JZ9,,,,,,,
,,,CIT:D:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1E19,,,,,,,
,,,ADP:A:315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:316,invalid,,,,,[Mg+2],
,,,MG:B:316,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2WE5,,,,,,,
,,,ACT:A:1313,invalid,,,,,CC(=O)[O-],
,,,ADP:A:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1312,invalid,,,,,[Mg+2],
,,,MG:B:1312,invalid,,,,,[Mg+2],
,,,MG:C:1312,invalid,,,,,[Mg+2],
3.1.3.15,,,,,,,,,
,Family. Representative Entry is ,4GK8,,,,,,,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,IMD:A:309,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEG:A:310,invalid,,,,,C(COCCO)O,
,,,GK8:A:305,valid,,,,,c1c([nH]cn1)C[C@@H](CO[As](O)(O)O)N,
,Family. Representative Entry is ,2FPU,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,HSO:B:509,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:B:508,Part of Protein,,,,,[Mg+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
2.4.2.1,,,,,,,,,
,Family. Representative Entry is ,2A0W,,,,,,,
,,,DIH:A:300,valid,Ki,=,270,pM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ON6,,,,,,,
,,,IMH:A:300,valid,Ki,=,172,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,2A0Y,,,,,,,
,,,DIH:A:300,valid,Ki,=,900,pM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RR6,,,,,,,
,,,IMH:A:300,valid,,,,,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2A0X,,,,,,,
,,,DIH:A:300,valid,Ki,=,950,pM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GB9,,,,,,,
,,,A2F:A:300,valid,,,,,c1[nH]c2c(nc(nc2n1)F)N,
,,,A2F:B:300,valid,,,,,c1[nH]c2c(nc(nc2n1)F)N,
,,,A2F:C:300,valid,,,,,c1[nH]c2c(nc(nc2n1)F)N,
,,,GOL:C:299,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RT9,,,,,,,
,,,IMH:A:300,valid,,,,,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UGF,,,,,,,
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IM5:A:308,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:C:305,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:B:306,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:D:307,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:F:303,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:E:306,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,3BGS,,,,,,,
,,,DIH:A:301,valid,Ki,=,380,pM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RSZ,,,,,,,
,,,DIH:A:300,valid,,,,,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Z34,,,,,,,
,,,2FD:A:300,valid,ic50,=,0.42,mM,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N,
,,1Z35,,,,,,,
,,,2FA:A:300,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,1Z38,,,,,,,
,,,NOS:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,Family. Representative Entry is ,1A69,,,,,,,
,,,FMB:A:240,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:B:240,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:C:240,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SO4:A:239,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:239,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:239,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PR1,,,,,,,
,,,FMB:A:245,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:B:246,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:C:247,valid,Ki,=,5,uM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:A:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OUM,,,,,,,
,,,PO4:B:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TAL:A:245,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O,
,,,TAL:B:246,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O,
,,,TAL:C:247,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@H](C)O)O)O,
,,1PR2,,,,,,,
,,,MDR:A:1245,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,MDR:B:1246,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,MDR:C:1247,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PR5,,,,,,,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TBN:A:1245,valid,Ki,=,120,uM,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,TBN:B:1246,valid,Ki,=,120,uM,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,TBN:C:1247,valid,Ki,=,120,uM,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,1PKE,,,,,,,
,,,2FD:A:446,valid,,,,,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N,
,,,2FD:B:447,valid,,,,,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N,
,,,2FD:C:448,valid,,,,,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)F)N,
,,,PO4:A:449,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:450,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:451,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PR6,,,,,,,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,XYA:A:1245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N,
,,,XYA:B:1246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N,
,,,XYA:C:1247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N,
,,1PR0,,,,,,,
,,,NOS:A:1245,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:B:1246,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:C:1247,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PK9,,,,,,,
,,,2FA:A:306,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,2FA:B:307,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,2FA:C:308,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,,PO4:A:309,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:310,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OV6,,,,,,,
,,,DBM:A:245,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O,
,,,DBM:B:246,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O,
,,,DBM:C:247,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O,
,,,PO4:A:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PR4,,,,,,,
,,,MTP:A:1245,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:B:1246,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:C:1247,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PK7,,,,,,,
,,,ADN:A:1245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:1247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PO4:A:1248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OVG,,,,,,,
,,,MDR:A:245,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,MDR:B:246,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,MDR:C:247,valid,,,,,Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O,
,,,PO4:A:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OU4,,,,,,,
,,,6MP:A:244,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,6MP:B:245,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,6MP:C:246,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,PO4:A:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OTY,,,,,,,
,,,6MP:A:247,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,6MP:B:246,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,6MP:C:245,valid,,,,,Cc1c2c(nc[nH]2)ncn1,
,,,PO4:A:248,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3UT6,,,,,,,
,,,FMC:A:300,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:B:300,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:C:300,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PW7,,,,,,,
,,,PO4:A:648,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:649,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:650,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RAB:A:645,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,RAB:B:646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,RAB:C:647,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)N,
,,1K9S,,,,,,,
,,,FM1:D:9907,valid,,,,,CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1,
,,,FM1:E:9909,valid,,,,,CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1,
,,,FM1:F:9911,valid,,,,,CNc1c2c(c(n[nH]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)ncn1,
,,,FM2:A:9901,valid,,,,,C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FM2:B:9903,valid,,,,,C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FM2:C:9905,valid,,,,,C[n+]1cnc2c(c1N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:A:9902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:9904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:9906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:9908,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:9910,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:9912,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1VHW,,,,,,,
,,,ADN:A:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:E:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:F:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,6F4W,,,,,,,
,,,FMC:B:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:E:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:F:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:D:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:A:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:C:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:E:300,valid,Kd,=,2.95,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,5MX4,,,,,,,
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HPA:C:300,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,5MX6,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:F:304,invalid,,,,,CC(=O)[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HPA:D:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:E:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:F:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:A:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:C:302,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,PEG:C:304,invalid,,,,,C(COCCO)O,
,,,PEG:D:304,invalid,,,,,C(COCCO)O,
,,,PEG:E:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,5MX8,,,,,,,
,,,PG4:A:309,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:310,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:308,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HPA:A:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,6F4X,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,FMC:B:301,valid,Kd,=,10.7,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:C:302,valid,Kd,=,10.7,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:D:301,valid,Kd,=,10.7,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:A:301,valid,Kd,=,10.7,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMC:F:301,valid,Kd,=,10.7,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2AC7,,,,,,,
,,,ADN:A:1216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UAZ,,,,,,,
,,,GOL:A:238,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:239,invalid,,,,,C(C(CO)O)O,
,,,NOS:A:236,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,SO4:A:237,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UAY,,,,,,,
,,,ADN:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:A:238,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:239,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:237,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UAX,,,,,,,
,,,GOL:A:238,invalid,,,,,C(C(CO)O)O,
,,,NOS:A:236,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,SO4:A:237,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UAW,,,,,,,
,,,ADN:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:A:239,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:240,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:237,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:238,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1B8O,,,,,,,
,,,IMH:A:600,valid,Ki,=,23,pM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,MG:A:598,invalid,,,,,[Mg+2],
,,,PO4:A:599,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1A9T,,,,,,,
,,,HPA:A:290,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,R1P:A:291,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,1VFN,,,,,,,
,,,HPA:A:300,valid,Ki,=,2.5,uM,c1[nH]c2c(n1)N=CNC2=O,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ZN:A:434,Part of Protein,,,,,[Zn+2],
,,2QPL,,,,,,,
,,,BTY:A:292,valid,ic50,=,18.9,uM,Cc1cc2n(n1)C(=NC(=O)N2)N,
,,,MG:A:291,invalid,,,,,[Mg+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AI1,,,,,,,
,,,144:A:292,invalid,,,,,C[N+](CO)(CO)CO,
,,,MG:A:290,invalid,,,,,[Mg+2],
,,,P1G:A:293,valid,ic50,=,300,nM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O)N=C(NC2=O)N,
,,,ZN:A:291,Part of Protein,,,,,[Zn+2],
,,1B8N,,,,,,,
,,,IMG:A:600,valid,Ki,=,30,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,MG:A:598,invalid,,,,,[Mg+2],
,,,PO4:A:599,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1A9S,,,,,,,
,,,NOS:A:290,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AI3,,,,,,,
,,,144:A:292,invalid,,,,,C[N+](CO)(CO)CO,
,,,MG:A:290,invalid,,,,,[Mg+2],
,,,P2G:A:293,valid,ic50,=,5000,nM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N,
,,,ZN:A:291,Part of Protein,,,,,[Zn+2],
,,1LVU,,,,,,,
,,,9PP:A:6100,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:B:6200,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:C:6300,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:D:6400,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:E:6500,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:F:6600,valid,Kd,=,4.8,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,CA:A:8001,Part of Protein,,,,,[Ca+2],
,,,CA:A:8009,Part of Protein,,,,,[Ca+2],
,,,CA:B:8004,Part of Protein,,,,,[Ca+2],
,,,CA:B:8007,Part of Protein,,,,,[Ca+2],
,,,CA:B:8010,Part of Protein,,,,,[Ca+2],
,,,CA:C:8005,Part of Protein,,,,,[Ca+2],
,,,CA:D:8002,Part of Protein,,,,,[Ca+2],
,,,CA:E:8006,Part of Protein,,,,,[Ca+2],
,,,CA:F:8003,Part of Protein,,,,,[Ca+2],
,,,CA:F:8008,Part of Protein,,,,,[Ca+2],
,,1A9P,,,,,,,
,,,9DI:A:290,valid,,,,,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,PO4:A:291,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2AI2,,,,,,,
,,,144:A:292,invalid,,,,,C[N+](CO)(CO)CO,
,,,MG:A:290,invalid,,,,,[Mg+2],
,,,P1D:A:293,valid,ic50,=,30,nM,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@H](O4)CP(=O)(O)O,
,,,ZN:A:291,Part of Protein,,,,,[Zn+2],
,,1V48,,,,,,,
,,,HA1:A:290,valid,Ki,=,16,nM,c1nc2c(n1CCCCC(F)(F)P(=O)(O)O)N=C(NC2=O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1A9Q,,,,,,,
,,,HPA:A:290,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FUC,,,,,,,
,,,AZI:C:304,invalid,,,,,[N-]=[N+]=[N-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,9D9:A:301,valid,Kd,=,190,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O,
,,,9D9:B:301,valid,Kd,=,190,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O,
,,,9D9:C:301,valid,Kd,=,190,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CCCCC(F)(F)P(=O)(O)O,
,,1A9R,,,,,,,
,,,HPA:A:290,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LV8,,,,,,,
,,,9PP:A:3001,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:B:3002,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:C:3003,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:D:3006,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:E:3004,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,9PP:F:3005,valid,Kd,=,3.5,uM,C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-],
,,,CA:A:7002,Part of Protein,,,,,[Ca+2],
,,,CA:B:7005,Part of Protein,,,,,[Ca+2],
,,,CA:C:7004,Part of Protein,,,,,[Ca+2],
,,,CA:D:7001,Part of Protein,,,,,[Ca+2],
,,,CA:E:7003,Part of Protein,,,,,[Ca+2],
,,,CA:F:7006,Part of Protein,,,,,[Ca+2],
,,1FXU,,,,,,,
,,,GU7:A:290,valid,,,,,c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,PO4:A:291,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1Q1G,,,,,,,
,,,IPA:A:503,invalid,,,,,CC(C)O,
,,,IPA:B:501,invalid,,,,,CC(C)O,
,,,IPA:B:502,invalid,,,,,CC(C)O,
,,,IPA:B:508,invalid,,,,,CC(C)O,
,,,IPA:D:507,invalid,,,,,CC(C)O,
,,,IPA:D:509,invalid,,,,,CC(C)O,
,,,IPA:E:506,invalid,,,,,CC(C)O,
,,,IPA:F:504,invalid,,,,,CC(C)O,
,,,IPA:F:505,invalid,,,,,CC(C)O,
,,,MTI:A:301,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,MTI:B:302,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,MTI:C:303,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,MTI:D:304,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,MTI:E:305,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,MTI:F:306,valid,Kd,=,2.7,nM,CSC[C@@H]1[C@H]([C@H]([C@@H]([NH2+]1)c2c[nH]c3c2N=CNC3=O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZNC,,,,,,,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QI9:A:301,valid,Kd,=,65,nM,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,2BSX,,,,,,,
,,,NOS:A:1248,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,6AQS,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IM5:A:302,valid,Ki,=,28,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,5ZNI,,,,,,,
,,,YMZ:A:302,valid,Kd,=,11,uM,c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ENZ,,,,,,,
,,,ART:A:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:B:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:C:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:D:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:E:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:F:303,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:A:308,invalid,,,,,C(=O)O,
,,,FMT:A:309,invalid,,,,,C(=O)O,
,,,FMT:A:310,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:C:304,invalid,,,,,C(=O)O,
,,,FMT:C:305,invalid,,,,,C(=O)O,
,,,FMT:C:306,invalid,,,,,C(=O)O,
,,,FMT:C:307,invalid,,,,,C(=O)O,
,,,FMT:C:308,invalid,,,,,C(=O)O,
,,,FMT:C:309,invalid,,,,,C(=O)O,
,,,FMT:D:304,invalid,,,,,C(=O)O,
,,,FMT:D:305,invalid,,,,,C(=O)O,
,,,FMT:D:306,invalid,,,,,C(=O)O,
,,,FMT:D:307,invalid,,,,,C(=O)O,
,,,FMT:D:308,invalid,,,,,C(=O)O,
,,,FMT:E:304,invalid,,,,,C(=O)O,
,,,FMT:F:304,invalid,,,,,C(=O)O,
,,,FMT:F:305,invalid,,,,,C(=O)O,
,,,FMT:F:306,invalid,,,,,C(=O)O,
,,,HPA:A:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:C:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:D:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:E:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:F:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:C:310,Part of Protein,,,,,[Na+],
,,,NA:D:309,Part of Protein,,,,,[Na+],
,,,NA:D:310,Part of Protein,,,,,[Na+],
,,,R1X:A:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,,,R1X:B:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,,,R1X:C:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,,,R1X:D:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,,,R1X:E:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,,,R1X:F:302,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)O)O,
,Family. Representative Entry is ,1NW4,,,,,,,
,,,IMH:A:301,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:B:302,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:C:303,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:D:304,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:E:305,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:F:306,valid,Kd,=,0.86,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IPA:A:502,invalid,,,,,CC(C)O,
,,,IPA:A:509,invalid,,,,,CC(C)O,
,,,IPA:A:510,invalid,,,,,CC(C)O,
,,,IPA:B:501,invalid,,,,,CC(C)O,
,,,IPA:B:507,invalid,,,,,CC(C)O,
,,,IPA:B:508,invalid,,,,,CC(C)O,
,,,IPA:B:515,invalid,,,,,CC(C)O,
,,,IPA:C:504,invalid,,,,,CC(C)O,
,,,IPA:D:503,invalid,,,,,CC(C)O,
,,,IPA:D:514,invalid,,,,,CC(C)O,
,,,IPA:E:506,invalid,,,,,CC(C)O,
,,,IPA:E:513,invalid,,,,,CC(C)O,
,,,IPA:F:505,invalid,,,,,CC(C)O,
,,,IPA:F:511,invalid,,,,,CC(C)O,
,,,IPA:F:512,invalid,,,,,CC(C)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5IFK,,,,,,,
,,,HPA:C:401,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:401,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:A:401,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,Family. Representative Entry is ,5TBS,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5TBT,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CTN:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,5TBU,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,HPA:A:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,Family. Representative Entry is ,5ETJ,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IM5:A:301,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:C:301,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:B:301,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:E:301,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:F:302,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:D:301,valid,Kd,=,66,pM,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,4EAR,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IM5:B:301,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:C:301,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:A:301,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,4EB8,,,,,,,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IM5:C:302,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:B:302,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,,,IM5:A:302,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)CN3C[C@@H]([C@H](C3)O)CO,
,Family. Representative Entry is ,1G2O,,,,,,,
,,,IMH:A:351,valid,Ki,=,28,pM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:B:352,valid,Ki,=,28,pM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:C:353,valid,Ki,=,28,pM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1I80,,,,,,,
,,,9HX:A:301,valid,Kd,=,0.39,uM,c1c[nH]c2c1N=CNC2=O,
,,,9HX:B:302,valid,Kd,=,0.39,uM,c1c[nH]c2c1N=CNC2=O,
,,,9HX:C:303,valid,Kd,=,0.39,uM,c1c[nH]c2c1N=CNC2=O,
,,,IMR:A:351,valid,,,,,C1[C@@H]([C@@H]([C@H](N1)CO)O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3IOM,,,,,,,
,,,GNG:A:800,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,GNG:B:801,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N3I,,,,,,,
,,,DIH:A:401,valid,Kd,=,1.3,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,DIH:B:402,valid,Kd,=,1.3,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,DIH:C:403,valid,Kd,=,1.3,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4DA6,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,GA2:A:301,valid,,,,,c1nc2c(n1COC(CO)CO)N=C(NC2=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4DAO,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,4DA7,,,,,,,
,,,AC2:A:301,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4DAE,,,,,,,
,,,6CR:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2Cl)N,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,4D9H,,,,,,,
,,,ADN:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,4D8V,,,,,,,
,,,ADE:A:303,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:303,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DAB,,,,,,,
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,HPA:A:301,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,Family. Representative Entry is ,2P4S,,,,,,,
,,,DIH:A:401,valid,Ki,=,0.31,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,DIH:B:403,valid,Ki,=,0.31,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,DIH:C:402,valid,Ki,=,0.31,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[NH+]3C[C@@H]([C@H](C3)O)CO,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3DJF,,,,,,,
,,,BC3:A:290,valid,ic50,=,0.8,uM,c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N,
,,,BC3:B:289,valid,ic50,=,0.8,uM,c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N,
,,,BC3:C:290,valid,ic50,=,0.8,uM,c1cc(cnc1)Cc2c[nH]c3c2N=C(NC3=O)N,
,,,DMS:A:289,invalid,,,,,CS(=O)C,
,,,DMS:B:288,invalid,,,,,CS(=O)C,
,,,DMS:C:289,invalid,,,,,CS(=O)C,
,,,SO4:A:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FB1,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:B:700,invalid,,,,,CC(=O)[O-],
,,,ACT:C:702,invalid,,,,,CC(=O)[O-],
,,,R1P:A:301,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:B:302,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:C:300,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,3E9R,,,,,,,
,,,ACT:A:700,invalid,,,,,CC(=O)[O-],
,,,ACT:C:700,invalid,,,,,CC(=O)[O-],
,,,ADE:B:288,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:B:703,invalid,,,,,CS(=O)C,
,,,DMS:C:703,invalid,,,,,CS(=O)C,
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3E0Q,,,,,,,
,,,DMS:A:300,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,,JFD:A:400,valid,,,,,C1(=C(NC(=O)NC1=O)N)Br,
,,,JFD:B:401,valid,,,,,C1(=C(NC(=O)NC1=O)N)Br,
,,,JFD:C:402,valid,,,,,C1(=C(NC(=O)NC1=O)N)Br,
,,3FNQ,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DMS:C:308,invalid,,,,,CS(=O)C,
,,,HPA:A:981,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:991,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:C:975,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FAZ,,,,,,,
,,,NOS:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IEX,,,,,,,
,,,ACT:B:701,invalid,,,,,CC(=O)[O-],
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:B:704,invalid,,,,,CS(=O)C,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:C:705,invalid,,,,,CS(=O)C,
,,,GMP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F8W,,,,,,,
,,,ADN:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,,,DMS:C:307,invalid,,,,,CS(=O)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3U40,,,,,,,
,,,ADN:A:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:E:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:F:251,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,NO3:A:239,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:239,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:239,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:240,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:241,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:239,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:239,invalid,,,,,[N+](=O)([O-])[O-],
,,,PO4:D:239,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1VMK,,,,,,,
,,,GUN:A:300,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:300,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:300,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,MG:B:266,invalid,,,,,[Mg+2],
2.1.1.28,,,,,,,,,
,Family. Representative Entry is ,2OBF,,,,,,,
,,,F83:A:2001,valid,Ki,=,1.4,nM,c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl,
,,,F83:B:2002,valid,Ki,=,1.4,nM,c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KPV,,,,,,,
,,,ADE:A:290,valid,Kd,=,180,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:290,valid,Kd,=,180,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQV,,,,,,,
,,,FAN:A:290,valid,,,,,c1ccc(cc1)NC=O,
,,,FAN:B:290,valid,,,,,c1ccc(cc1)NC=O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KR2,,,,,,,
,,,ET2:A:1001,valid,Kd,=,7.2,uM,c1cc2c(cc1F)[nH]c(n2)N,
,,,ET2:B:1002,valid,Kd,=,7.2,uM,c1cc2c(cc1F)[nH]c(n2)N,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQY,,,,,,,
,,,ES0:A:290,valid,Kd,=,15,uM,c1cc2c(c(c1)O)[nH]c(n2)N,
,,,ES0:B:290,valid,Kd,=,15,uM,c1cc2c(c(c1)O)[nH]c(n2)N,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQP,,,,,,,
,,,ES5:A:290,valid,Kd,=,380,uM,c1cc2cc(ccc2nc1)N,
,,,ES5:B:290,valid,Kd,=,380,uM,c1cc2cc(ccc2nc1)N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2G70,,,,,,,
,,,HNT:A:5001,valid,Ki,=,17,nM,c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO,
,,,HNT:A:5003,valid,Ki,=,17,nM,c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO,
,,,HNT:B:5002,valid,Ki,=,17,nM,c1cc2c(cc1[N+](=O)[O-])CN[C@H](C2)CO,
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:2001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:2002,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3KQS,,,,,,,
,,,AX7:A:290,valid,Kd,=,6.3,uM,c1ccc2c(c1)[nH]c(n2)N,
,,,AX7:B:290,valid,Kd,=,6.3,uM,c1ccc2c(c1)[nH]c(n2)N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQO,,,,,,,
,,,ES4:A:290,valid,Kd,=,140,uM,c1[nH]c2c(n1)c(ncn2)Cl,
,,,ES4:B:290,valid,Kd,=,140,uM,c1[nH]c2c(n1)c(ncn2)Cl,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3HCD,,,,,,,
,,,LNR:A:2001,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,,,LNR:B:2002,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2G8N,,,,,,,
,,,F83:A:2001,valid,Ki,=,0.063,uM,c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl,
,,,F83:B:2002,valid,Ki,=,0.063,uM,c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CN[C@H](C3)CO)Cl,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3HCB,,,,,,,
,,,LT2:A:3001,valid,,,,,C1[C@H](C2=CC(=O)C(=O)C=C2N1)O,
,,,LT2:B:3002,valid,,,,,C1[C@H](C2=CC(=O)C(=O)C=C2N1)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3HCC,,,,,,,
,,,LT3:A:2001,valid,Ki,=,13,uM,c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N,
,,,LT3:B:2002,valid,Ki,=,13,uM,c1cc2c(c(c1)C(F)(F)F)[C@H]3CC[C@@H]2[C@@H]3N,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQW,,,,,,,
,,,ES9:A:290,valid,Kd,=,97,uM,c1cc2c(cc1Cl)nc[nH]2,
,,,ES9:B:290,valid,Kd,=,97,uM,c1cc2c(cc1Cl)nc[nH]2,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2G72,,,,,,,
,,,F21:A:4001,valid,Ki,=,315,nM,c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF,
,,,F21:B:4002,valid,Ki,=,315,nM,c1cc2c(cc1S(=O)(=O)N3CCSCC3)CN[C@H](C2)CF,
,,,SAM:A:2001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:2002,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3KQQ,,,,,,,
,,,ES6:A:290,valid,,,,,C1=CNC(=O)C(=C1)C(=O)O,
,,,ES6:B:290,valid,,,,,C1=CNC(=O)C(=C1)C(=O)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3HCA,,,,,,,
,,,EDO:A:290,invalid,,,,,C(CO)O,
,,,OTR:A:401,valid,,,,,c1cc(ccc1[C@H](CN)O)O,
,,,OTR:B:1401,valid,,,,,c1cc(ccc1[C@H](CN)O)O,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KPU,,,,,,,
,,,ES1:A:290,valid,Kd,=,690,uM,c1ccc2c(c1)c(ccn2)O,
,,,ES1:B:290,valid,Kd,=,690,uM,c1ccc2c(c1)c(ccn2)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1YZ3,,,,,,,
,,,SAH:A:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SKA:A:3001,valid,Ki,=,1.55,nM,c1cc(c(c2c1CCNC2)Cl)Cl,
,,,SKA:B:3002,valid,Ki,=,1.55,nM,c1cc(c(c2c1CCNC2)Cl)Cl,
,,2AN4,,,,,,,
,,,OTR:A:401,valid,,,,,c1cc(ccc1[C@H](CN)O)O,
,,,OTR:B:1401,valid,,,,,c1cc(ccc1[C@H](CN)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2G71,,,,,,,
,,,FTS:A:3001,valid,Ki,=,35,nM,c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF,
,,,FTS:B:3002,valid,Ki,=,35,nM,c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CN[C@H](C2)CF,
,,,GOL:B:2647,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1HNN,,,,,,,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SKF:A:3001,valid,Ki,=,0.58,uM,c1cc2c(cc1S(=O)(=O)N)CNCC2,
,,,SKF:B:3002,valid,Ki,=,0.58,uM,c1cc2c(cc1S(=O)(=O)N)CNCC2,
,,3KPW,,,,,,,
,,,1SQ:A:290,valid,Kd,=,14,uM,c1ccc2c(c1)ccnc2N,
,,,1SQ:B:290,valid,Kd,=,14,uM,c1ccc2c(c1)ccnc2N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KR1,,,,,,,
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,VGD:A:290,valid,Kd,=,1.8,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
,,,VGD:B:290,valid,Kd,=,1.8,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
,,2AN3,,,,,,,
,,,CTL:A:3001,valid,,,,,c1ccc2c(c1)CC[C@@H]([C@@H]2O)N,
,,,CTL:B:3002,valid,,,,,c1ccc2c(c1)CC[C@@H]([C@@H]2O)N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KPJ,,,,,,,
,,,PO4:A:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KQT,,,,,,,
,,,ES7:A:290,valid,Kd,=,4.6,uM,Cn1c2ccccc2nc1N,
,,,ES7:B:290,valid,Kd,=,4.6,uM,Cn1c2ccccc2nc1N,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2AN5,,,,,,,
,,,PO4:B:1501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TTL:A:1401,valid,Ki,=,2.1,uM,c1ccc2c(c1)CC[C@@H]([C@H]2O)N,
,,,TTL:B:2401,valid,Ki,=,2.1,uM,c1ccc2c(c1)CC[C@@H]([C@H]2O)N,
,,3KQM,,,,,,,
,,,ES3:A:290,valid,Kd,=,170,uM,c1c(nc[nH]1)Br,
,,,ES3:B:290,valid,Kd,=,170,uM,c1c(nc[nH]1)Br,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3KPY,,,,,,,
,,,ES2:A:290,valid,,,,,c1cc2c(cc1Cl)NC(=O)C2,
,,,ES2:B:290,valid,,,,,c1cc2c(cc1Cl)NC(=O)C2,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.2.2.27,,,,,,,,,
,Family. Representative Entry is ,4YGM,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:B:305,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:A:304,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,4ZBY,,,,,,,
,,,SF4:A:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MES:A:203,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,URA:A:202,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,4LZB,,,,,,,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:J:302,invalid,,,,,CS(=O)C,
,,,DMS:H:302,invalid,,,,,CS(=O)C,
,,,DMS:F:301,invalid,,,,,CS(=O)C,
,,,DMS:E:301,invalid,,,,,CS(=O)C,
,,,DMS:G:302,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:H:303,invalid,,,,,CS(=O)C,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,CL:G:301,invalid,,,,,[Cl-],
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:H:301,invalid,,,,,[Cl-],
,,,CL:G:305,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:K:301,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:E:305,invalid,,,,,[Cl-],
,,,CL:E:304,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:I:302,invalid,,,,,C(CO)O,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:G:307,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:K:302,invalid,,,,,C(CO)O,
,,,EDO:G:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:L:301,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,URA:I:303,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:E:307,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:J:301,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:305,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:L:302,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:A:308,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:F:305,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:312,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:G:306,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:H:304,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:303,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:K:303,valid,,,,,C1=CNC(=O)NC1=O,
,,,K:D:301,Part of Protein,,,,,[K+],
,,,K:F:302,Part of Protein,,,,,[K+],
,,,K:C:301,Part of Protein,,,,,[K+],
,,,K:E:303,Part of Protein,,,,,[K+],
,,,K:B:304,Part of Protein,,,,,[K+],
,,,K:J:303,Part of Protein,,,,,[K+],
,,,K:G:303,Part of Protein,,,,,[K+],
,,,K:A:302,Part of Protein,,,,,[K+],
,,,K:E:302,Part of Protein,,,,,[K+],
,,,K:B:305,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,4WS6,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,WBU:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1)N,
,,,IPA:A:309,invalid,,,,,CC(C)O,
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,4WRV,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,URA:A:301,valid,,,,,C1=CNC(=O)NC1=O,
,,4WS5,,,,,,,
,,,5NU:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,4WS8,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,TUL:A:301,valid,,,,,C1=CNC(=S)NC1=O,
,,3A7N,,,,,,,
,,,FLC:A:228,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:229,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,4WS2,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,6UA:A:303,valid,,,,,C1C(=NC(=O)NC1=O)N,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,IPA:A:310,invalid,,,,,CC(C)O,
,,4WS0,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,URF:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,CL:A:308,invalid,,,,,[Cl-],
,,4WS7,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,5UC:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1)Cl,
,,4WRU,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,URA:A:301,valid,,,,,C1=CNC(=O)NC1=O,
,,4WS1,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,URF:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,CL:A:309,invalid,,,,,[Cl-],
,,4WS4,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,5NU:A:303,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,IPA:A:304,invalid,,,,,CC(C)O,
,,4WS3,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,6UA:A:301,valid,,,,,C1C(=NC(=O)NC1=O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,4WRY,,,,,,,
,,,URF:A:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4WPL,,,,,,,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,URA:A:301,valid,,,,,C1=CNC(=O)NC1=O,
,,,CL:A:311,invalid,,,,,[Cl-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4WRZ,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,IPA:A:303,invalid,,,,,CC(C)O,
,,,URF:A:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
2.1.1.74,,,,,,,,,
,Family. Representative Entry is ,3G5S,,,,,,,
,,,EDO:A:447,invalid,,,,,C(CO)O,
,,,EDO:A:448,invalid,,,,,C(CO)O,
,,,EDO:A:449,invalid,,,,,C(CO)O,
,,,EDO:A:450,invalid,,,,,C(CO)O,
,,,EDO:A:451,invalid,,,,,C(CO)O,
,,,FAD:A:444,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:445,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:446,Part of Protein,,,,,[Mg+2],
,,3G5R,,,,,,,
,,,CA:A:446,Part of Protein,,,,,[Ca+2],
,,,EDO:A:447,invalid,,,,,C(CO)O,
,,,EDO:A:448,invalid,,,,,C(CO)O,
,,,EDO:A:449,invalid,,,,,C(CO)O,
,,,EDO:A:450,invalid,,,,,C(CO)O,
,,,EDO:A:451,invalid,,,,,C(CO)O,
,,,EDO:A:452,invalid,,,,,C(CO)O,
,,,FAD:A:444,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,THG:A:445,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,3G5Q,,,,,,,
,,,FAD:A:444,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MRD:A:445,invalid,,,,,C[C@H](CC(C)(C)O)O,
4.6.1.13,,,,,,,,,
,Family. Representative Entry is ,4I90,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,CHT:A:502,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:503,valid,,,,,C[N+](C)(C)CCO,
,,,CL:A:504,invalid,,,,,[Cl-],
,,4I9T,,,,,,,
,,,INS:A:503,invalid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:A:502,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:505,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4F2B,,,,,,,
,,,INS:A:401,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:401,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,4S3G,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,INS:A:401,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,4RV3,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,INS:A:402,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,3V16,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,INS:A:401,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,4I9J,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,XP5:A:502,valid,,,,,CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC,
,,,XP5:A:503,valid,,,,,CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC,
,,,XP5:A:504,valid,,,,,CCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC,
,,3V1H,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,INS:A:401,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,Family. Representative Entry is ,1GYM,,,,,,,
,,,MYG:A:702,valid,ic50,=,2,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O,
,,3EA2,,,,,,,
,,,INS:A:801,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:802,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,ZN:B:906,Part of Protein,,,,,[Zn+2],
5.1.1.1,,,,,,,,,
,Family. Representative Entry is ,1NIU,,,,,,,
,,,DCS:A:800,valid,Ki,=,0.08,uM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:900,valid,Ki,=,0.08,uM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,1BD0,,,,,,,
,,,IN5:A:389,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O,
,,,IN5:B:389,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O,
,,1XQK,,,,,,,
,,,PMH:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O,
,,,PMH:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O,
,,1XQL,,,,,,,
,,,4AX:A:605,valid,,,,,C1[C@H](C(=O)NO1)N,
,,,4AX:B:505,valid,,,,,C1[C@H](C(=O)NO1)N,
,,,ACY:A:602,invalid,,,,,CC(=O)O,
,,,ACY:B:502,invalid,,,,,CC(=O)O,
,,,PLP:A:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:604,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PMH:A:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O,
,,,PMH:B:603,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1FTX,,,,,,,
,,,EPC:A:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H](C)P(=O)(O)O)O,
,,,EPC:B:1002,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H](C)P(=O)(O)O)O,
,,2SFP,,,,,,,
,,,PLP:A:500,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:500,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PPI:A:400,valid,Ki,=,20,mM,CCC(=O)O,
,,,PPI:B:400,valid,Ki,=,20,mM,CCC(=O)O,
,,1L6G,,,,,,,
,,,PDD:A:390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,,PDD:B:1390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,1L6F,,,,,,,
,,,PP3:A:390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,,,PP3:B:1390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,Family. Representative Entry is ,1VFS,,,,,,,
,,,CL:A:656,invalid,,,,,[Cl-],
,,,DCS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:1401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,1VFT,,,,,,,
,,,CL:A:617,invalid,,,,,[Cl-],
,,,DCS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:1401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,Family. Representative Entry is ,2VD9,,,,,,,
,,,CL:A:1392,invalid,,,,,[Cl-],
,,,CL:A:1393,invalid,,,,,[Cl-],
,,,CL:B:1391,invalid,,,,,[Cl-],
,,,EPC:A:1395,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H](C)P(=O)(O)O)O,
,,,EPC:B:1393,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H](C)P(=O)(O)O)O,
,,,IN5:A:1394,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O,
,,,IN5:B:1392,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)P(=O)(O)O)O,
,,,MG:A:1390,invalid,,,,,[Mg+2],
,,,MG:A:1391,invalid,,,,,[Mg+2],
,,,MG:B:1390,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6SCZ,,,,,,,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,PEG:B:416,invalid,,,,,C(COCCO)O,
,,,PEG:A:421,invalid,,,,,C(COCCO)O,
,,,PEG:A:419,invalid,,,,,C(COCCO)O,
,,,PEG:A:420,invalid,,,,,C(COCCO)O,
,,,PEG:A:422,invalid,,,,,C(COCCO)O,
,,,PEG:B:417,invalid,,,,,C(COCCO)O,
,,,PEG:B:418,invalid,,,,,C(COCCO)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,OJQ:A:426,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O,
,,,OJQ:B:422,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C[NH2+]c2conc2O)O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,P4K:B:420,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,P4K:B:421,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,P4K:B:419,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,P4K:A:423,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,P4K:A:424,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,TRS:B:423,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:427,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,L7N:A:425,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C@@H]2CONC2=O)O,
,Family. Representative Entry is ,4LUT,,,,,,,
,,,DCS:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,Family. Representative Entry is ,3E5P,,,,,,,
,,,2PE:C:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EPE:A:430,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PLP:A:390,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:390,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:390,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PPI:A:400,valid,,,,,CCC(=O)O,
,,,PPI:B:400,valid,,,,,CCC(=O)O,
,,,PPI:C:400,valid,,,,,CCC(=O)O,
,Family. Representative Entry is ,4LUS,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,TCE:B:401,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,5FAG,,,,,,,
,,,PPI:C:402,valid,,,,,CCC(=O)O,
,,,PPI:B:501,valid,,,,,CCC(=O)O,
,,,PPI:B:505,valid,,,,,CCC(=O)O,
,,,PPI:D:501,valid,,,,,CCC(=O)O,
,,,PPI:A:402,valid,,,,,CCC(=O)O,
,,,PPI:B:506,valid,,,,,CCC(=O)O,
,,,PPI:B:507,valid,,,,,CCC(=O)O,
,,,PPI:D:503,valid,,,,,CCC(=O)O,
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:B:504,invalid,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:508,invalid,,,,,[N+](=O)([O-])[O-],
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5FAJ,,,,,,,
,,,NA:C:404,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,DCS:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,Family. Representative Entry is ,2RJH,,,,,,,
,,,DCS:A:362,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:362,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:C:362,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:D:360,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:361,invalid,,,,,[O-]S(=O)(=O)[O-],
5.6.2.2,,,,,,,,,
,Family. Representative Entry is ,7C7N,,,,,,,
,,,FKR:A:301,valid,ic50,=,0.36,nM,CNc1cc(cc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O)F,
,,6KZV,,,,,,,
,,,E0F:A:301,valid,ic50,=,5.4,uM,CN(Cc1ccccc1NC(=O)C2=Cc3ccccc3NC2=O)C4CCCCC4,
,,6YD9,,,,,,,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,ON2:A:301,valid,ic50,=,110,nM,Cc1c(c(c([nH]1)C(=O)Nc2nc3ccc(cc3s2)NC(=O)CCN)Cl)Cl,
,,6F94,,,,,,,
,,,D0H:A:500,valid,ic50,=,0.099,uM,CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccc(c2)C)Nc3cccc(c3)C,
,,5Z9Q,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HX4:A:304,valid,,,,,c1ccc(cc1)c2cc(n[nH]2)N,
,,,HX4:B:302,valid,,,,,c1ccc(cc1)c2cc(n[nH]2)N,
,,,AX7:A:305,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,6KZX,,,,,,,
,,,E0L:A:301,valid,ic50,=,0.2,uM,CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3cccc(c3)C(=O)O,
,,5Z4H,,,,,,,
,,,A8K:B:303,valid,,,,,c1cc(ccc1O)Sc2ccc(cc2)O,
,,,A8K:A:303,valid,,,,,c1cc(ccc1O)Sc2ccc(cc2)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AX7:A:304,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,5Z9L,,,,,,,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,8H8:A:303,valid,,,,,c1cc(c(cc1O)F)C#N,
,,,8H8:B:303,valid,,,,,c1cc(c(cc1O)F)C#N,
,,,AX7:B:304,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,5Z9E,,,,,,,
,,,27K:B:302,valid,,,,,CCCCOC(=O)c1ccc(cc1)O,
,,,27K:A:304,valid,,,,,CCCCOC(=O)c1ccc(cc1)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AX7:B:303,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,1KZN,,,,,,,
,,,CBN:A:1,valid,Kd,=,1.2,nM,Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3Cl)OC(=O)C(=C4O)NC(=O)c5ccc(c(c5)CC=C(C)C)O)O,
,,1AJ6,,,,,,,
,,,NOV:A:1,valid,Kd,=,1.2,uM,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,5Z9B,,,,,,,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AX7:A:304,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,,HX3:B:303,valid,,,,,c1cc(c(cc1NN)Cl)Cl,
,,,HX3:A:303,valid,,,,,c1cc(c(cc1NN)Cl)Cl,
,,6KZZ,,,,,,,
,,,E0R:A:301,valid,ic50,=,0.0017,uM,CNc1cccc2c1NC(=O)C(=C2)C(=O)Nc3ccc(cc3)C(=O)O,
,,5MMO,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9JG:A:301,valid,,,,,CCNC(=O)Nc1cc2c(ccc(c2cn1)CNC(=O)OCC#C)c3ccncc3,
,,6F86,,,,,,,
,,,CWW:A:500,valid,ic50,=,0.037,uM,CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cc(cn3)Br,
,,5Z4O,,,,,,,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HX8:A:301,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)O,
,,,HX8:B:301,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)O,
,,,AX7:A:305,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,6F8J,,,,,,,
,,,CZ5:A:500,valid,ic50,=,0.086,uM,CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)n3cccn3,
,,5MMP,,,,,,,
,,,G3Z:A:301,valid,ic50,=,0.03,uM,CCNC(=O)Nc1cc2c(ccc(c2cn1)Nc3cccnc3)c4ccncc4,
,,4DUH,,,,,,,
,,,RLI:A:301,valid,Kd,=,6.6,uM,CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C,
,,,RLI:B:301,valid,Kd,=,6.6,uM,CCC(=O)Nc1nc(c(s1)c2csc(n2)Nc3ccc(cc3)C(=O)O)C,
,,7C7O,,,,,,,
,,,FKU:A:301,valid,ic50,=,0.52,nM,CNc1cc(cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(=O)O)F,
,,5MMN,,,,,,,
,,,O54:A:301,valid,ic50,=,0.125,uM,CCNC(=O)Nc1cc2c(ccc(c2cn1)C)c3ccnc(c3)C,
,,6F96,,,,,,,
,,,D0K:A:500,valid,ic50,=,0.019,uM,CCNC(=O)Nc1cc(c(cn1)C(=O)Nc2cccnc2)Nc3ccc(cc3)OC,
,,5Z9F,,,,,,,
,,,0R0:B:303,valid,,,,,c1ccc(c(c1)C#N)O,
,,,0R0:A:303,valid,,,,,c1ccc(c(c1)C#N)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AX7:A:304,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,Family. Representative Entry is ,6Y8O,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:B:309,Part of Protein,,,,,[Na+],
,,,NA:B:310,Part of Protein,,,,,[Na+],
,,,NA:B:308,Part of Protein,,,,,[Na+],
,,,NOV:B:301,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:A:301,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,VAL PHE HIS TYR PRO GLY:A:250,invalid,,,,,,
,,,HIS TYR PRO GLY:B:252,invalid,,,,,,
,Family. Representative Entry is ,6Y8N,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,OGH:B:401,valid,ic50,=,9,nM,Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N,
,,,OGH:A:401,valid,ic50,=,9,nM,Cc1ncc(cn1)Oc2nc3c(c4cc(cc(c4[nH]3)NC)F)c(n2)N5C[C@@H]6[C@H](C5)C6N,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,GLY LYS HIS ARG THR PHE TYR TYR PRO:A:245,invalid,,,,,,
,,,GLY LYS HIS ARG THR PHE TYR TYR PRO:B:245,invalid,,,,,,
,,6Y8L,,,,,,,
,,,ZN:B:303,invalid,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,GLY LYS HIS ARG THR PHE TYR TYR PRO GLY:B:245,invalid,,,,,,
,,,GLY LYS HIS ARG THR PHE TYR TYR PRO GLY:A:245,invalid,,,,,,
,,,NOV:A:501,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:B:301,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,Family. Representative Entry is ,6M1S,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EZ9:A:301,valid,Ki,<,1,nM,CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F,
,,,EZ9:B:304,valid,Ki,<,1,nM,CCNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)OCC(C)(C)C(=O)O)n5ccc(n5)C(F)(F)F)F,
,,6M1J,,,,,,,
,,,EZ6:B:302,valid,Ki,=,2,nM,CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F,
,,,EZ6:A:305,valid,Ki,=,2,nM,CNc1cc(cc2c1[nH]c3c2c(c(cn3)c4cnc(nc4)C5(CC5)C(=O)O)n6ccc(n6)C(F)(F)F)F,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
4.1.1.36,,,,,,,,,
,Family. Representative Entry is ,1MVN,,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PCO:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NC=C/S)O,
,,1E20,,,,,,,
,,,BME:A:803,invalid,,,,,C(CS)O,
,,,FMN:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NI:A:802,invalid,,,,,[Ni+2],
,,1MVL,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.2.1.99,,,,,,,,,
,Family. Representative Entry is ,2X8S,,,,,,,
,,,AHR AHR AHR:D:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,,,AHR AHR AHR:C:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,,,CA:B:1471,Part of Protein,,,,,[Ca+2],
,,,CL:A:1474,invalid,,,,,[Cl-],
,,,CL:B:1475,invalid,,,,,[Cl-],
,,,CL:B:1478,invalid,,,,,[Cl-],
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1476,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1477,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1476,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1480,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1482,invalid,,,,,C(C(CO)O)O,
,,,MPD:B:1483,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:B:1477,Part of Protein,,,,,[Na+],
,,,NA:B:1481,Part of Protein,,,,,[Na+],
,,,PO4:B:1479,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:A:1478,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6A8H,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,AHR AHR AHR:C:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,,,AHR AHR AHR:B:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,6A8I,,,,,,,
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,AHR AHR AHR AHR AHR AHR:C:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,,AHR AHR AHR AHR AHR AHR:D:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,3D5Z,,,,,,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,FUB AHR AHR:B:1,valid,,,,,,
,,3D61,,,,,,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,FUB AHR:B:1,valid,,,,,,
,Family. Representative Entry is ,1GYE,,,,,,,
,,,AHR AHR AHR AHR AHR AHR:A:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,,CL:B:901,invalid,,,,,[Cl-],
1.3.99.7,,,,,,,,,
,Family. Representative Entry is ,2R0N,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TGC:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CSCC(=O)O)O,
,,1SIQ,,,,,,,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3GQT,,,,,,,
,,,UFO:A:1000,valid,,,,,CN1CCN(c2c1ccc(c2)CN)C,
,,,UFO:B:1001,valid,,,,,CN1CCN(c2c1ccc(c2)CN)C,
,,,UFO:D:1000,valid,,,,,CN1CCN(c2c1ccc(c2)CN)C,
,,3D6B,,,,,,,
,,,54D:C:501,valid,,,,,COC(=O)c1cccs1,
,,3GNC,,,,,,,
,,,EPE:B:397,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:397,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:397,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,QQQ:A:397,valid,,,,,CC(C)n1c2ccccc2nc1S(=O)(=O)O,
,,,QQQ:B:396,valid,,,,,CC(C)n1c2ccccc2nc1S(=O)(=O)O,
,,,QQQ:C:396,valid,,,,,CC(C)n1c2ccccc2nc1S(=O)(=O)O,
,,,QQQ:D:396,valid,,,,,CC(C)n1c2ccccc2nc1S(=O)(=O)O,
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3MPI,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GRA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,
,,,GRA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,
,,,GRA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,
,,,GRA:D:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O)O,
,,3MPJ,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:E:401,invalid,,,,,[Cl-],
,,,CL:F:401,invalid,,,,,[Cl-],
,,,CL:G:401,invalid,,,,,[Cl-],
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,LYS GLY HIS HIS HIS HIS HIS HIS:Y:41,valid,,,,,O=C(NCC=O)C([NH3+])CCCC[NH3+].O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)CCc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1,
1.8.4.12,,,,,,,,,
,Family. Representative Entry is ,3HCH,,,,,,,
,,,CIT:A:1003,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,P6G:A:1005,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1004,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1007,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1008,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1009,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,RSM:A:1000,valid,,,,,CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC,
,,,RSM:A:1001,valid,,,,,CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC,
,,,RSM:B:1000,valid,,,,,CC(=O)N[C@@H](CC[S@](=O)C)C(=O)NC,
,,,TRS:B:1002,invalid,,,,,C(C(CO)(CO)[NH3+])O,
4.1.3.5,,,,,,,,,
,Family. Representative Entry is ,1YSL,,,,,,,
,,,AAE:B:611,invalid,,,,,CC(=O)CC(=O)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CSD:B:111,Part of Protein,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.261,,,,,,,,,
,Family. Representative Entry is ,5FB3,,,,,,,
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:403,Part of Protein,,,,,[Zn+2],
,,,NDP:E:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PPV:B:2004,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,4RGQ,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:D:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:C:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NDP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,1GP:B:404,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,K:D:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,4RFL,,,,,,,
,,,K:D:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:C:408,Part of Protein,,,,,[Na+],
6.3.4.-,,,,,,,,,
,Family. Representative Entry is ,2R7K,,,,,,,
,,,ACP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,AMZ:A:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R7N,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,FAI:A:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R7L,,,,,,,
,,,AMZ:A:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R7M,,,,,,,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
2.5.1.120,,,,,,,,,
,Family. Representative Entry is ,6XI9,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,V47:A:403,valid,,,,,c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,V47:B:403,valid,,,,,c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
3.2.1.132,,,,,,,,,
,Family. Representative Entry is ,1QGI,,,,,,,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG GCS GCS:B:1,valid,,,,,O=C(NC1C(O)C(OC2C([NH3+])C(O)C(OC3C([NH3+])C(O)CC(CO)O3)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4OLT,,,,,,,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GCS GCS GCS GCS GCS GCS:D:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])C(OC3C(O)C([NH3+])C(O)OC3CO)OC2CO)OC1CO)C1C([NH3+])C(O)C(OC2C([NH3+])C(O)C(OC3C([NH3+])C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GCS GCS GCS GCS GCS GCS:C:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])C(OC3C(O)C([NH3+])C(O)OC3CO)OC2CO)OC1CO)C1C([NH3+])C(O)C(OC2C([NH3+])C(O)C(OC3C([NH3+])C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,4QWP,,,,,,,
,,,GCS GCS GCS:E:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])COC2C)OC1CO)C1C([NH3+])C(O)C(O)C(CO)O1,
,,,GCS GCS GCS:F:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])COC2C)OC1CO)C1C([NH3+])C(O)C(O)C(CO)O1,
,,,GCS GCS GCS:D:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])COC2C)OC1CO)C1C([NH3+])C(O)C(O)C(CO)O1,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GCS GCS:C:1,valid,,,,,O(C1C(O)C([NH3+])C(O)OC1CO)C1C([NH3+])C(O)C(O)C(CO)O1,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
2.7.7.48,,,,,,,,,
,Family. Representative Entry is ,1YVZ,,,,,,,
,,,JPC:A:578,valid,ic50,=,4.4,uM,CC(C)N(c1cc(sc1C(=O)O)c2ccccc2)C(=O)c3ccc(cc3Cl)Cl,
,,,SO4:A:571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:572,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:573,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:577,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4WTM,,,,,,,
,,,UDP:A:605,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,C   C  :P:1,valid,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,U   A   G   G  :T:1,valid,,,,,,
,,4WTK,,,,,,,
,,,G   G  :P:1,valid,,,,,,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,CL:A:604,invalid,,,,,[Cl-],
,,,PG6:A:606,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,B3P:A:607,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,CDP:A:605,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,A   G   C   C  :T:1,valid,,,,,,
,,1YVX,,,,,,,
,,,IPC:A:580,valid,ic50,=,8,uM,Cc1ccc(cc1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C,
,,,SO4:A:571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:572,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:573,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:577,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:578,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:579,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4WTJ,,,,,,,
,,,G   G  :P:1,valid,,,,,,
,,,PG4:A:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,B3P:A:606,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,A   U   C   C  :T:1,valid,,,,,,
,,,ADP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PG6:A:605,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,CL:A:603,invalid,,,,,[Cl-],
,,4WTL,,,,,,,
,,,G   G  :P:1,valid,,,,,,
,,,B3P:A:606,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,U   A   C   C  :T:1,valid,,,,,,
,,,PG6:A:605,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,UDP:A:604,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1INQ,,,,,,,
,,,DMS:A:900,invalid,,,,,CS(=O)C,
,,,SER SER VAL VAL GLY VAL TRP TYR LEU:C:2001,valid,ic50,=,539,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(C)C)C(C)C)C(C)C)Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)CC(C)C,
,,3CC5,,,,,,,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:280,invalid,,,,,C(C(CO)O)O,
,,,LYS VAL PRO ARG ASN GLN ASP TRP LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C)CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,LYS VAL PRO ARG ASN GLN ASP TRP LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C)CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MZM,,,,,,,
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET CYS PRO ARG MET THR ALA VAL MET:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CCC1)CS)C,
,,,MET CYS PRO ARG MET THR ALA VAL MET:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CCC1)CS)C,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,4L8B,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,NA:B:101,invalid,,,,,[Na+],
,,,ALA SER ASN GLU HIS MET GLU THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])Cc1nc[nH]c1)CCSC)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,3CPL,,,,,,,
,,,ALA SER ASN GLU ASN ALA GLU THR MET:E:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ALA SER ASN GLU ASN ALA GLU THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,1WBY,,,,,,,
,,,SER SER LEU GLU ASN PHE ARG ALA TYR VAL:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)Cc1ccc(O)cc1)C)CCCNC(=[NH2+])N)Cc1ccccc1)CC(=O)N)CCC(=O)[O-])CC(C)C)CO)C([NH3+])CO,
,,3CH1,,,,,,,
,,,GLU GLY PRO ARG ASN GLN ASP TRP LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCC(=O)[O-])CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GLU GLY PRO ARG ASN GLN ASP TRP LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCC(=O)[O-])CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GLU GLY PRO ARG ASN GLN ASP TRP LEU:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCC(=O)[O-])CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GLU GLY PRO ARG ASN GLN ASP TRP LEU:L:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCC(=O)[O-])CCC1)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:16,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:285,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HV8,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ALA SER ASN GLU ASN ILE GLU THR MET:E:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C(CC)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ALA SER ASN GLU ASN ILE GLU THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C(CC)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,1WBX,,,,,,,
,,,SER GLN LEU LYS ASN ASN ALA LYS GLU ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)N)CC(C)C)CCCC[NH3+])CC(=O)N)CC(=O)N)C)CCCC[NH3+])CCC(=O)[O-])C(CC)C,
,,1YN7,,,,,,,
,,,SER SER LEU GLU ASN PHE ALA ALA TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)CC(C)C)CCC(=O)[O-])CC(=O)N)Cc1ccccc1)C)C)Cc1ccc(O)cc1)C(C)C,
,,1YN6,,,,,,,
,,,SER SER LEU GLU ASN PHE ARG ALA TYR VAL:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)Cc1ccc(O)cc1)C)CCCNC(=[NH2+])N)Cc1ccccc1)CC(=O)N)CCC(=O)[O-])CC(C)C)CO)C([NH3+])CO,
,,1JUF,,,,,,,
,,,SER SER VAL ILE GLY VAL TRP TYR LEU:C:2001,valid,ic50,=,1400,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(C)C)C(CC)C)C(C)C)Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)CC(C)C,
,,1JPG,,,,,,,
,,,PHE GLN PRO GLN ASN GLY GLN PHE ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CCC(=O)N)CCC1)CCC(=O)N)CC(=O)N)CCC(=O)N)Cc1ccccc1)C(CC)C,
,,5E8O,,,,,,,
,,,MET ABA LEU ARG MET THR ALA VAL MET:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CC)C,
,,,MET ABA LEU ARG MET THR ALA VAL MET:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CC)C,
,,1LD9,,,,,,,
,,,TYR PRO ASN VAL ASN ILE HIS ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CC(=O)N)C(C)C)CC(=O)N)C(CC)C)Cc1nc[nH]c1)CC(=O)N)Cc1ccccc1,
,,,TYR PRO ASN VAL ASN ILE HIS ASN PHE:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CC(=O)N)C(C)C)CC(=O)N)C(CC)C)Cc1nc[nH]c1)CC(=O)N)Cc1ccccc1,
,,5E8P,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET CYS LEU ARG NLE THR ALA VAL MET:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCCC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,,MET CYS LEU ARG NLE THR ALA VAL MET:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCCC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,1HOC,,,,,,,
,,,ALA SER ASN GLU ASN MET GLU THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)CCSC)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,4HUX,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,ALA SER ASN GLU ASN MET GLU THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)CCSC)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,4HUV,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ALA SER ASN GLU ASN TRP GLU THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ALA SER ASN GLU ASN TRP GLU THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,2ZOK,,,,,,,
,,,ABA SER LEU TRP ASN GLY PRO HIS LEU:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC)CO)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)Cc1nc[nH]c1)CC(C)C,
,,,ABA SER LEU TRP ASN GLY PRO HIS LEU:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC)CO)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)Cc1nc[nH]c1)CC(C)C,
,,,ABA SER LEU TRP ASN GLY PRO HIS LEU:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC)CO)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)Cc1nc[nH]c1)CC(C)C,
,,,ABA SER LEU TRP ASN GLY PRO HIS LEU:L:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC)CO)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)Cc1nc[nH]c1)CC(C)C,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:280,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5E8N,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET CYS LEU ARG MET THR ALA VAL MET:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,,MET CYS LEU ARG MET THR ALA VAL MET:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,,MET CYS LEU ARG MET THR ALA VAL MET:L:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,,MET CYS LEU ARG MET THR ALA VAL MET:I:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCSC)C(C)C)C)C(O)C)CCSC)CCCNC(=[NH2+])N)CC(C)C)CS)C,
,,4HUU,,,,,,,
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,,ALA SER ASN GLU ASN ILE GLU THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C(CC)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ALA SER ASN GLU ASN ILE GLU THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)N)C(CC)C)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,4L8D,,,,,,,
,,,ALA SER ASN GLU ASP MET GLU THR MET:E:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)[O-])CCSC)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,ALA SER ASN GLU ASP MET GLU THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CCC(=O)[O-])CC(=O)[O-])CCSC)CCC(=O)[O-])C(O)C)C(=O)[O-])C,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2P41,,,,,,,
,,,CIT:A:1013,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,G1G:A:1001,valid,,,,,Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)OC)O)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1012,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2P3L,,,,,,,
,,,CIT:A:1003,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,G3A:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1L9K,,,,,,,
,,,SAH:A:887,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2PX8,,,,,,,
,,,3PO:A:451,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,3PO:B:452,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GOL:A:463,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:468,invalid,,,,,C(C(CO)O)O,
,,,MGT:A:401,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:402,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:403,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2PX5,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PXA,,,,,,,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2PX2,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:B:529,invalid,,,,,[Cl-],
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2PX4,,,,,,,
,,,CL:A:890,invalid,,,,,[Cl-],
,,,CL:A:894,invalid,,,,,[Cl-],
,,,CL:A:925,invalid,,,,,[Cl-],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNX:A:801,invalid,,,,,*,
,,,UNX:A:802,invalid,,,,,*,
,,,UNX:A:803,invalid,,,,,*,
,,,UNX:A:804,invalid,,,,,*,
,,,UNX:A:805,invalid,,,,,*,
,,,UNX:A:806,invalid,,,,,*,
,,,UNX:A:807,invalid,,,,,*,
,,,UNX:A:808,invalid,,,,,*,
,,,UNX:A:809,invalid,,,,,*,
,Family. Representative Entry is ,4HDH,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4HDG,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3HKW,,,,,,,
,,,GOL:A:586,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:587,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:589,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:585,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:586,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:588,invalid,,,,,C(C(CO)O)O,
,,,IX6:A:579,valid,Kd,=,80,nM,Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O,
,,,IX6:B:579,valid,Kd,=,80,nM,Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O,
,,,IX6:C:579,valid,Kd,=,80,nM,Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O,
,,,SO4:A:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:588,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:587,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KHM,,,,,,,
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PV:B:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:A:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,4KHR,,,,,,,
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PV:A:604,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,6MVO,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K4P:B:605,valid,,,,,B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O,
,,,K4P:A:604,valid,,,,,B1(c2c(cc(cc2Cl)N(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O,
,,2XI3,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,,MG:B:1006,Part of Protein,,,,,[Mg+2],
,,3QGI,,,,,,,
,,,33F:A:601,valid,,,,,CC[C@H](C)NC(=O)c1ccc(nn1)N2CCN([C@H](C2)C(=O)NCc3ccc(cc3)OC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC(F)(F)F,
,,,GOL:A:651,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:652,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:653,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:654,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:655,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:656,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:657,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:658,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:659,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:660,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:661,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:662,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:663,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:664,invalid,,,,,C(C(CO)O)O,
,,3QGH,,,,,,,
,,,63F:A:601,valid,,,,,c1cc(ccc1CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)C(=O)NC5CC5)OC(F)(F)F,
,,,PO4:A:651,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:652,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:653,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:654,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:655,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4WYW,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,3PO:A:501,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2ILZ,,,,,,,
,,,ACY:A:901,invalid,,,,,CC(=O)O,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:A:906,invalid,,,,,CC(=O)O,
,,,GTP:A:1001,valid,Kd,=,4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,,NA:A:3002,Part of Protein,,,,,[Na+],
,,2IM2,,,,,,,
,,,ACY:A:901,invalid,,,,,CC(=O)O,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,,UTP:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2IM1,,,,,,,
,,,ACY:A:901,invalid,,,,,CC(=O)O,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:A:905,invalid,,,,,CC(=O)O,
,,,CTP:A:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:A:2003,Part of Protein,,,,,[Mn+2],
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,1RA7,,,,,,,
,,,ACY:A:901,invalid,,,,,CC(=O)O,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:A:905,invalid,,,,,CC(=O)O,
,,,ACY:A:906,invalid,,,,,CC(=O)O,
,,,ACY:A:907,invalid,,,,,CC(=O)O,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2IM0,,,,,,,
,,,ACY:A:901,invalid,,,,,CC(=O)O,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:A:905,invalid,,,,,CC(=O)O,
,,,ACY:A:906,invalid,,,,,CC(=O)O,
,,,ACY:A:907,invalid,,,,,CC(=O)O,
,,,CTP:A:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5HMY,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,LNY:A:1003,valid,ic50,=,0.5,uM,c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O)O,
,,3VWS,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,VWS:A:1003,valid,Kd,=,225,uM,Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O,
,,,VWS:A:1004,valid,Kd,=,225,uM,Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O,
,,,PEG:A:1005,invalid,,,,,C(COCCO)O,
,,5HMZ,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,LNZ:A:1003,valid,,,,,Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#CCO)OC,
,,5I3Q,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,68E:A:1003,valid,,,,,Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC,
,,5F41,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,5V6:A:1003,valid,Kd,=,67,uM,COc1ccc(cc1c2ccsc2)CC(=O)O,
,,5I3P,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,68T:A:1003,valid,,,,,COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO,
,,6H9R,,,,,,,
,,,5V5:A:1001,valid,,,,,COc1ccc(cc1c2cccs2)CC(=O)O,
,,,PEG:A:1010,invalid,,,,,C(COCCO)O,
,,,PEG:A:1005,invalid,,,,,C(COCCO)O,
,,,PEG:A:1011,invalid,,,,,C(COCCO)O,
,,,PEG:A:1004,invalid,,,,,C(COCCO)O,
,,,PEG:A:1007,invalid,,,,,C(COCCO)O,
,,,PEG:A:1009,invalid,,,,,C(COCCO)O,
,,,PEG:A:1008,invalid,,,,,C(COCCO)O,
,,,PEG:A:1006,invalid,,,,,C(COCCO)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,5HN0,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,LNN:A:1003,valid,,,,,c1ccc(cc1)c2cc(ccc2O)CC(=O)O,
,,6H80,,,,,,,
,,,5V5:A:1001,valid,,,,,COc1ccc(cc1c2cccs2)CC(=O)O,
,,,PEG:A:1005,invalid,,,,,C(COCCO)O,
,,,PEG:A:1007,invalid,,,,,C(COCCO)O,
,,,PEG:A:1004,invalid,,,,,C(COCCO)O,
,,,PEG:A:1008,invalid,,,,,C(COCCO)O,
,,,PEG:A:1006,invalid,,,,,C(COCCO)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,5HMW,,,,,,,
,,,LNW:A:1003,valid,,,,,c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O,
,,,LNW:A:1004,valid,,,,,c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5F3Z,,,,,,,
,,,5V5:A:1003,valid,Kd,=,29,uM,COc1ccc(cc1c2cccs2)CC(=O)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5F3T,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,5UH:A:1003,valid,Kd,=,210,uM,COc1ccc(cc1c2ccccc2)CC(=O)O,
,,5HMX,,,,,,,
,,,LNX:A:1004,valid,,,,,c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O,
,,,LNX:A:1003,valid,,,,,c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
5.3.2.6,,,,,,,,,
,Family. Representative Entry is ,5CLO,,,,,,,
,,,NS8:M:101,valid,,,,,c1ccc(cc1)/C=C/[N+](=O)[O-],
6.2.1.8,,,,,,,,,
,Family. Representative Entry is ,5IE3,,,,,,,
,,,OXD:A:602,valid,Kd,=,18.2,uM,C(=O)(C(=O)O)O,
,,,OXD:B:602,valid,Kd,=,18.2,uM,C(=O)(C(=O)O)O,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5IE0,,,,,,,
,,,SRT:A:1002,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:601,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:1001,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:602,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5IE2,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACY:A:603,invalid,,,,,CC(=O)O,
,,,ACY:B:603,invalid,,,,,CC(=O)O,
,,,MG:B:602,invalid,,,,,[Mg+2],
,,,MG:A:602,invalid,,,,,[Mg+2],
3.4.11.18,,,,,,,,,
,Family. Representative Entry is ,4IKR,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,PVP:A:404,valid,ic50,=,0.59,uM,Cc1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl,
,,2NQ6,,,,,,,
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,GOL:A:470,invalid,,,,,C(C(CO)O)O,
,,,HM4:A:410,valid,ic50,=,1.5,uM,CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2,
,,4U69,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,Q07:A:404,valid,Ki,=,54.8,uM,CCC[C@H](C)[C@H](N)P(=O)(O)O,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,2G6P,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,EPE:A:471,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:470,invalid,,,,,C(C(CO)O)O,
,,,HM2:A:410,valid,ic50,=,0.6,uM,Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl,
,,,K:A:404,Part of Protein,,,,,[K+],
,,4U73,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,Q02:A:404,valid,Ki,=,6.6,uM,c1ccc(cc1)[C@H](N)P(=O)(O)O,
,,4IKT,,,,,,,
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,TFV:A:401,valid,ic50,=,0.67,uM,Cc1c(c(nc(n1)c2ccccn2)NCCNc3ccc(cn3)C(F)(F)F)Cl,
,,4U6Z,,,,,,,
,,,Q07:A:404,valid,Ki,=,3.9,uM,CCC[C@H](C)[C@H](N)P(=O)(O)O,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,K:A:402,Part of Protein,,,,,[K+],
,,4U70,,,,,,,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,Q04:A:403,valid,Ki,=,9.5,uM,C1CCC(CC1)C[C@H](N)P(=O)(O)O,
,,4FLI,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,Y16:A:503,valid,ic50,=,3.59,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O,
,,4U6C,,,,,,,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,Q06:A:404,valid,Ki,=,9.9,uM,C1CCC(C1)CC[C@H](N)P(=O)(O)O,
,,,K:A:402,Part of Protein,,,,,[K+],
,,4FLK,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,Y10:A:503,valid,ic50,=,5.58,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O,
,,4IKU,,,,,,,
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,SHX:A:401,valid,ic50,=,1.79,uM,Cc1c(c(nc(n1)c2ccccn2)N[C@H](Cc3ccccc3)C(=O)N)Cl,
,,2NQ7,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,GOL:A:470,invalid,,,,,C(C(CO)O)O,
,,,HM5:A:410,valid,ic50,=,2.9,uM,CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2,
,,,K:A:404,Part of Protein,,,,,[K+],
,,4FLL,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,YZ6:A:503,valid,ic50,=,5.14,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC[C@H](c1ccccc1)c2ccco2)OC)O)O)O,
,,4U71,,,,,,,
,,,Q03:A:404,valid,Ki,=,6,uM,C1CCC(CC1)[C@H](N)P(=O)(O)O,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,K:A:402,Part of Protein,,,,,[K+],
,,4HXX,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,1AY:A:405,valid,,,,,Cc1c(c(nc(n1)c2ccc(cn2)Cl)NC[C@@H](c3ccccc3)NCCCCc4ccccc4)Cl,
,,4IKS,,,,,,,
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,TFD:A:401,valid,ic50,=,7.23,uM,Cc1c(c(nc(n1)c2ccccn2)NCCNc3cccc(n3)C(F)(F)F)Cl,
,,4U6E,,,,,,,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,Q02:A:403,valid,Ki,=,111.6,uM,c1ccc(cc1)[C@H](N)P(=O)(O)O,
,,4U1B,,,,,,,
,,,Q08:A:404,valid,Ki,=,4.9,uM,CCCC(CCC)[C@H](N)P(=O)(O)O,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,4FLJ,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,Y08:A:503,valid,ic50,=,7.45,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O,
,Family. Representative Entry is ,7A16,,,,,,,
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,MN:A:510,Part of Protein,,,,,[Mn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HZE:A:508,valid,ic50,=,0.00000001,M,CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4,
,,2GA2,,,,,,,
,,,A19:A:482,valid,ic50,=,3,uM,c1cc(ccc1S(=O)(=O)Nc2ccc(cc2C(=O)O)Br)Cl,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,2ADU,,,,,,,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,R20:A:906,valid,Ki,=,18,nM,Cc1cccc(c1)c2c[nH]nn2,
,,7A14,,,,,,,
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,MN:A:510,Part of Protein,,,,,[Mn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QVB:A:508,valid,ic50,=,0.00000001,M,CC(C)Oc1ccccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl,
,,6QEI,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,MN:A:506,Part of Protein,,,,,[Mn+2],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,HZE:A:505,valid,,,,,CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)F)N4CCNCC4,
,,6QEF,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,HZW:A:507,valid,ic50,=,0.06,uM,c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCc3cc(cc(c3)Cl)F)O,
,,6QEJ,,,,,,,
,,,TBU:A:503,invalid,,,,,CC(C)(C)O,
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,HZT:A:502,valid,,,,,c1cc(sc1)S(=O)(=O)N(Cc2ccc(cc2)F)Cc3[nH]ncn3,
,,6QEH,,,,,,,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,HZQ:A:502,valid,,,,,c1cc2c(ccc(c2nc1)O)Cl,
,,7A12,,,,,,,
,,,QVK:A:510,valid,ic50,=,0.00000001,M,c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)N)Cl,
,,,MN:A:511,Part of Protein,,,,,[Mn+2],
,,,MN:A:512,Part of Protein,,,,,[Mn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1R58,,,,,,,
,,,AO5:A:501,valid,,,,,CC(C)SCC[C@H]([C@@H](C(=O)NNC(=O)c1cccc(c1)Cl)O)N,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,5JHU,,,,,,,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,6KO:A:505,valid,,,,,COc1ccccc1C(=O)OC[C@H]2CCCN2c3ccnc4n3ncn4,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,1YW9,,,,,,,
,,,A84:A:482,valid,ic50,=,0.019,uM,CN(C)CC=C/c1cc(ccc1S(=O)(=O)Nc2ccc3c(c2C(=O)O)CCCC3)F,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,2EA2,,,,,,,
,,,F77:A:482,valid,ic50,=,0.016,uM,CCc1ccc(c(c1C)C(=O)O)NS(=O)(=O)c2ccc(cc2)F,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,7A15,,,,,,,
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,MN:A:510,Part of Protein,,,,,[Mn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QV5:A:508,valid,ic50,=,0.00000001,M,CC(C)Oc1cc(ccc1c2c3cc(c(cc3[nH]c2C(=O)N)F)Cl)N4CCNCC4,
,,6QEG,,,,,,,
,,,K4K:A:502,valid,ic50,=,0.05,uM,c1ccc(cc1)N2CC[C@@](C2=O)(C(=O)NCCc3cccs3)O,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,5LYX,,,,,,,
,,,7BF:A:501,valid,ic50,=,0.038,uM,c1cc2cnccc2c(c1)OC[C@H]3CCCN3c4ccnc5n4ncn5,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,5JI6,,,,,,,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,6KN:A:504,valid,ic50,=,0.011,uM,Cc1cnccc1c2cc(cc3c2cn[nH]3)C(F)(F)F,
,,5JFR,,,,,,,
,,,6KP:A:505,valid,ic50,=,5,nM,Cc1c(cc2c(n1)[nH]cn2)n3c4ccc(cc4c5c3c[nH]n5)F,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,5LYW,,,,,,,
,,,7BH:A:501,valid,ic50,=,0.7,uM,Cc1ccccc1OC[C@H]2CCCN2c3c4c(nc[nH]4)ncn3,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,1R5H,,,,,,,
,,,AO2:A:501,valid,ic50,=,0.17,uM,Cc1ccc(cc1)NNC(=O)[C@H]([C@@H](CC2CCCCC2)N)O,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,1YW7,,,,,,,
,,,A41:A:482,valid,ic50,=,1.4,uM,Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccccc2,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,7A13,,,,,,,
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,MN:A:510,Part of Protein,,,,,[Mn+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QW5:A:508,valid,,,,,COc1cccc(c1)c2c3cc(ccc3[nH]c2C(=O)N)Cl,
,,2EA4,,,,,,,
,,,F79:A:482,valid,ic50,=,0.046,uM,CCc1ccc(c(c1OCCN)C(=O)O)NS(=O)(=O)c2ccc(cc2)F,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,1R5G,,,,,,,
,,,AO1:A:501,valid,,,,,CCSCC[C@@H]([C@@H](C(=O)N[C@@H](C)c1cccc2c1cccc2)O)N,
,,,MN:A:480,Part of Protein,,,,,[Mn+2],
,,,MN:A:481,Part of Protein,,,,,[Mn+2],
,,6QED,,,,,,,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,HZK:A:506,valid,ic50,=,0.015,uM,c1cc2c(cc1N3CC[C@@](C3=O)(C(=O)NCc4cc(cc(c4)Cl)F)O)CCC(=O)N2,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,2OAZ,,,,,,,
,,,CO:A:479,Part of Protein,,,,,[Co+2],
,,,CO:A:480,Part of Protein,,,,,[Co+2],
,,,I96:A:501,valid,Ki,=,2,nM,CC(C)c1ccccc1Nc2[nH]nc(n2)SCc3cccs3,
,Family. Representative Entry is ,1YVM,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,NA:A:2001,Part of Protein,,,,,[Na+],
,,,TMG:A:501,valid,Ki,=,0.4,uM,c1ccc2c(c1)[nH]c(n2)c3cscn3,
,,2GG0,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,U11:A:601,valid,ic50,=,1.7,uM,C[C@@H](C(=O)NCC(=O)OC)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(F)(F)F)N)O,
,,2GU6,,,,,,,
,,,MN:A:265,Part of Protein,,,,,[Mn+2],
,,,MN:A:266,Part of Protein,,,,,[Mn+2],
,,,MN:B:265,Part of Protein,,,,,[Mn+2],
,,,MN:B:266,Part of Protein,,,,,[Mn+2],
,,,NA:A:300,Part of Protein,,,,,[Na+],
,,,NA:B:300,Part of Protein,,,,,[Na+],
,,,NLP:A:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,,NLP:B:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,2Q95,,,,,,,
,,,A05:A:400,valid,ic50,=,1.6,uM,c1cc(c(cc1[N+](=O)[O-])Cl)c2ccc(o2)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2GG8,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,U15:A:501,valid,ic50,=,25,uM,Cc1ccc(cc1)[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)OC)O)N,
,,2GTX,,,,,,,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,NA:A:265,Part of Protein,,,,,[Na+],
,,,NA:B:265,Part of Protein,,,,,[Na+],
,,,NLP:A:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,,NLP:B:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,2EVC,,,,,,,
,,,FC3:A:999,valid,ic50,=,0.29,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,4A6W,,,,,,,
,,,5C1:A:1265,valid,ic50,=,1.9,uM,c1ccc(c(c1)c2cnc(o2)C(=O)NO)Cl,
,,,MN:A:1264,Part of Protein,,,,,[Mn+2],
,,,MN:A:1266,Part of Protein,,,,,[Mn+2],
,,2GG3,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,U13:A:501,valid,ic50,=,0.58,uM,[H]/N=C/1C(=C(N=N1)N)/N=N/c2ccc(cc2)F,
,,3D27,,,,,,,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,W29:A:265,valid,ic50,=,55.7,uM,CCc1ccsc1c2ccc(c(c2)O)O,
,,2GG7,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,U14:A:701,valid,ic50,=,1.75,uM,[H]/N=C1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O,
,,2GU5,,,,,,,
,,,MN:A:265,Part of Protein,,,,,[Mn+2],
,,,MN:A:266,Part of Protein,,,,,[Mn+2],
,,,MN:B:265,Part of Protein,,,,,[Mn+2],
,,,MN:B:266,Part of Protein,,,,,[Mn+2],
,,,NA:A:300,Part of Protein,,,,,[Na+],
,,,NA:B:300,Part of Protein,,,,,[Na+],
,,,NLP:A:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,,NLP:B:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,1XNZ,,,,,,,
,,,FCD:A:268,valid,ic50,=,0.24,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl,
,,,MN:A:265,Part of Protein,,,,,[Mn+2],
,,,MN:A:266,Part of Protein,,,,,[Mn+2],
,,,NA:A:267,Part of Protein,,,,,[Na+],
,,4A6V,,,,,,,
,,,CO3:A:1267,invalid,,,,,C(=O)([O-])[O-],
,,,IKY:A:1268,valid,ic50,=,1.9,uM,c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F,
,,,IKY:B:1264,valid,ic50,=,1.9,uM,c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F,
,,,MN:A:1266,Part of Protein,,,,,[Mn+2],
,,,MN:A:1269,Part of Protein,,,,,[Mn+2],
,,,MN:B:1265,Part of Protein,,,,,[Mn+2],
,,,MN:B:1266,Part of Protein,,,,,[Mn+2],
,,1C21,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,MET:A:300,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2Q92,,,,,,,
,,,B23:A:400,valid,ic50,=,1.1,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)[N+](=O)[O-],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,1C27,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NLP:A:300,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,1C24,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,MPJ:A:300,valid,,,,,CSCC[C@H](N)[P@H](=O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2EVO,,,,,,,
,,,CO:A:901,Part of Protein,,,,,[Co+2],
,,,CO:A:902,Part of Protein,,,,,[Co+2],
,,,CO:A:903,Part of Protein,,,,,[Co+2],
,,,CO:B:904,Part of Protein,,,,,[Co+2],
,,,CO:B:905,Part of Protein,,,,,[Co+2],
,,,CO:B:906,Part of Protein,,,,,[Co+2],
,,,CT0:A:503,valid,ic50,=,0.067,uM,c1csc(n1)NC(=O)C(=O)NC2CCCC2,
,,,CT0:B:502,valid,ic50,=,0.067,uM,c1csc(n1)NC(=O)C(=O)NC2CCCC2,
,,2P99,,,,,,,
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,NA:A:264,Part of Protein,,,,,[Na+],
,,,YE6:A:265,valid,ic50,=,1.16,uM,c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl,
,,2GG9,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:803,Part of Protein,,,,,[Na+],
,,,U16:A:801,valid,ic50,=,3.5,uM,CC(C)C[C@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](c1ccc(cc1)C(C)C)N)O,
,,2Q94,,,,,,,
,,,A04:A:400,valid,ic50,=,0.37,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)OC(F)(F)F,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2P98,,,,,,,
,,,MN:A:264,Part of Protein,,,,,[Mn+2],
,,,NA:A:265,Part of Protein,,,,,[Na+],
,,,YE7:A:266,valid,ic50,=,0.64,uM,c1ccc2c(c1)ccn3c2nc(c3)C(=O)NN,
,,2GGB,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,U17:A:304,valid,ic50,=,12,uM,CCCC[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)OC)O)N,
,,2EVM,,,,,,,
,,,FC2:A:999,valid,ic50,=,0.693,uM,c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,1C22,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,MF3:A:300,valid,,,,,C(CSC(F)(F)F)[C@@H](C(=O)O)N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,1C23,,,,,,,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,MPH:A:300,valid,,,,,CSCC[C@H](N)P(=O)(O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2Q96,,,,,,,
,,,A18:A:400,valid,ic50,=,1.2,uM,c1ccc(c(c1)Cc2ccc(o2)C(=O)O)Cl,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2BB7,,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,QMS:A:305,valid,ic50,=,2.14,uM,CS(=O)(=O)Nc1cccc2c1nccc2,
,,2GG2,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,U12:A:801,valid,ic50,=,0.25,uM,c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F,
,,2GGC,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,MET:A:1101,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,NA:A:1103,Part of Protein,,,,,[Na+],
,,2GU4,,,,,,,
,,,MN:A:265,Part of Protein,,,,,[Mn+2],
,,,MN:A:266,Part of Protein,,,,,[Mn+2],
,,,MN:B:265,Part of Protein,,,,,[Mn+2],
,,,MN:B:266,Part of Protein,,,,,[Mn+2],
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NA:B:1,Part of Protein,,,,,[Na+],
,,,NLP:A:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,,NLP:B:3808,valid,,,,,CCCC[C@H](N)P(=O)(O)O,
,,2Q93,,,,,,,
,,,B21:A:400,valid,ic50,=,0.56,uM,COc1ccccc1c2ccc(o2)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2GG5,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,U19:A:501,valid,ic50,=,0.25,uM,[H]/N=C1/C(=C(N=N1)N)/N=N/c2ccccc2C(F)(F)F,
,,3MAT,,,,,,,
,,,AHH ALA LEU VAL 0A9:I:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)C)C(O)C([NH3+])CCCC,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2P9A,,,,,,,
,,,MN:A:264,Part of Protein,,,,,[Mn+2],
,,,MN:A:265,Part of Protein,,,,,[Mn+2],
,,,NA:A:266,Part of Protein,,,,,[Na+],
,,,YE6:A:267,valid,ic50,=,6.56,uM,c1ccc(c(c1)c2ccc(o2)C(=O)NN)Cl,
,Family. Representative Entry is ,1WKM,,,,,,,
,,,MET:A:1298,valid,Ki,=,150,mM,CSCC[C@@H](C(=O)O)N,
,,,MET:B:2298,valid,Ki,=,150,mM,CSCC[C@@H](C(=O)O)N,
,,,MN:A:296,Part of Protein,,,,,[Mn+2],
,,,MN:A:297,Part of Protein,,,,,[Mn+2],
,,,MN:B:296,Part of Protein,,,,,[Mn+2],
,,,MN:B:297,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4IU6,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,FZ1:A:405,valid,,,,,COc1ccc(cc1)N2CCN(CC2)c3c4ccccc4nc(n3)c5ccccn5,
,Family. Representative Entry is ,1QXW,,,,,,,
,,,ACT:A:2001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:2002,invalid,,,,,CC(=O)[O-],
,,,CO:A:1001,Part of Protein,,,,,[Co+2],
,,,CO:A:1002,Part of Protein,,,,,[Co+2],
,,,M1C:A:3001,valid,ic50,=,7,uM,CCCC[C@@H](C(CNC1CC1)(O)O)N,
,,1QXZ,,,,,,,
,,,CO:A:1001,Part of Protein,,,,,[Co+2],
,,,CO:A:1002,Part of Protein,,,,,[Co+2],
,,,CO:A:1003,Part of Protein,,,,,[Co+2],
,,,M3C:A:2001,valid,ic50,=,19,uM,CSCC[C@@H](C(c1nccs1)(O)O)N,
,,1QXY,,,,,,,
,,,ACT:A:2001,invalid,,,,,CC(=O)[O-],
,,,CO:A:1001,Part of Protein,,,,,[Co+2],
,,,CO:A:1002,Part of Protein,,,,,[Co+2],
,,,CO:A:1003,Part of Protein,,,,,[Co+2],
,,,M2C:A:3001,valid,ic50,=,16,uM,CSCC[C@@H](C(c1ccccn1)(O)O)N,
,Family. Representative Entry is ,3IU9,,,,,,,
,,,CL:A:290,invalid,,,,,[Cl-],
,,,NI:A:286,Part of Protein,,,,,[Ni+2],
,,,NI:A:287,Part of Protein,,,,,[Ni+2],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T07:A:288,valid,ic50,=,0.24,uM,c1cc(c(cc1Cl)Cl)CSc2[nH]c(nn2)N,
,,3IU7,,,,,,,
,,,CL:A:291,invalid,,,,,[Cl-],
,,,FCD:A:288,valid,ic50,=,16,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl,
,,,FCD:A:289,valid,ic50,=,16,uM,c1ccc(c(c1)c2ccc(o2)C(=O)O)Cl,
,,,MN:A:286,Part of Protein,,,,,[Mn+2],
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PKE,,,,,,,
,,,CL:A:289,invalid,,,,,[Cl-],
,,,NI:A:287,Part of Protein,,,,,[Ni+2],
,,,NI:A:288,Part of Protein,,,,,[Ni+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Y10:A:286,valid,,,,,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O,
,,3PKB,,,,,,,
,,,CL:A:290,invalid,,,,,[Cl-],
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,MN:A:288,Part of Protein,,,,,[Mn+2],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Y16:A:286,valid,ic50,=,0.62,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NCC(=O)N)OC)O)O)O,
,,3PKA,,,,,,,
,,,CL:A:290,invalid,,,,,[Cl-],
,,,MN:A:286,Part of Protein,,,,,[Mn+2],
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Y02:A:288,valid,ic50,=,0.54,uM,Cc1cc(c(c(c1)C)OCCNC(=O)[C@@H]([C@@H]([C@H]([C@@H](/C=C/C(C)(C)C)O)O)O)OC)C,
,,3PKC,,,,,,,
,,,MN:A:286,Part of Protein,,,,,[Mn+2],
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,Y08:A:288,valid,ic50,=,0.96,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC[C@@H]1CCCN(C1)C(=O)C2CC2)OC)O)O)O,
,,3IU8,,,,,,,
,,,CL:A:291,invalid,,,,,[Cl-],
,,,CL:A:292,invalid,,,,,[Cl-],
,,,NI:A:286,Part of Protein,,,,,[Ni+2],
,,,NI:A:287,Part of Protein,,,,,[Ni+2],
,,,NI:A:288,Part of Protein,,,,,[Ni+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T03:A:289,valid,ic50,=,0.58,uM,c1cc(ccc1CSc2[nH]cnn2)F,
,,3PKD,,,,,,,
,,,MN:A:286,Part of Protein,,,,,[Mn+2],
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,Y10:A:288,valid,ic50,=,0.76,uM,CC(C)(C)/C=C/[C@H]([C@@H]([C@H]([C@H](C(=O)NC1Cc2ccccc2C1)OC)O)O)O,
,,1YJ3,,,,,,,
,,,BME:A:425,invalid,,,,,C(CS)O,
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,MET:A:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1QZY,,,,,,,
,,,CO:A:479,Part of Protein,,,,,[Co+2],
,,,CO:A:480,Part of Protein,,,,,[Co+2],
,,,TBU:A:690,invalid,,,,,CC(C)(C)O,
,,,TDE:A:500,valid,ic50,~,800,nM,CC(C)(C)C=C[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1CC[C@H](CNC1=O)O)OC)O)O)O,
,,1KQ9,,,,,,,
,,,MET:A:601,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,TBU:A:501,invalid,,,,,CC(C)(C)O,
,,,ZN:A:479,Part of Protein,,,,,[Zn+2],
,,,ZN:A:480,Part of Protein,,,,,[Zn+2],
,,1KQ0,,,,,,,
,,,MED:A:601,valid,,,,,CSCC[C@H](C(=O)O)N,
,,,TBU:A:501,invalid,,,,,CC(C)(C)O,
,,,ZN:A:479,Part of Protein,,,,,[Zn+2],
,,,ZN:A:480,Part of Protein,,,,,[Zn+2],
1.1.1.53,,,,,,,,,
,Family. Representative Entry is ,1NFQ,,,,,,,
,,,NAI:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:2300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:3300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,AOI:A:401,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,AOI:B:1401,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,AOI:C:2401,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,AOI:D:3401,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,1NFF,,,,,,,
,,,NAD:A:1300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1NFR,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1N5D,,,,,,,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1HDC,,,,,,,
,,,CBO:A:301,valid,Ki,=,1,uM,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:B:301,valid,Ki,=,1,uM,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:C:301,valid,Ki,=,1,uM,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:D:301,valid,Ki,=,1,uM,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
4.1.2.19,,,,,,,,,
,Family. Representative Entry is ,2V9M,,,,,,,
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CIT:A:1278,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:1279,invalid,,,,,C(CO)O,
,,,EDO:A:1280,invalid,,,,,C(CO)O,
,,,EDO:A:1281,invalid,,,,,C(CO)O,
,,,EDO:A:1282,invalid,,,,,C(CO)O,
,,,EDO:B:1277,invalid,,,,,C(CO)O,
,,,EDO:B:1278,invalid,,,,,C(CO)O,
,,,EDO:B:1279,invalid,,,,,C(CO)O,
,,,EDO:B:1280,invalid,,,,,C(CO)O,
,,,ZN:A:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1277,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1276,Part of Protein,,,,,[Zn+2],
,,2V2A,,,,,,,
,,,13P:A:1277,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,ZN:A:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1276,Part of Protein,,,,,[Zn+2],
,,2V9N,,,,,,,
,,,CIT:A:1276,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1276,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:1276,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:1276,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1284,invalid,,,,,C(C(CO)O)O,
,,,PGO:A:1279,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:1280,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:1279,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:1281,invalid,,,,,C[C@@H](CO)O,
,,,PGO:C:1280,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:1280,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:1282,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:1283,invalid,,,,,C[C@@H](CO)O,
,,,PO4:A:1277,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1278,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1277,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1278,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1277,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1278,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1279,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1277,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1278,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1279,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1275,Part of Protein,,,,,[Zn+2],
,,1OJR,,,,,,,
,,,2HA:A:1277,valid,,,,,C(C(=O)CO)O,
,,,DIO:A:1283,invalid,,,,,C1COCCO1,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1282,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1276,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1278,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1275,Part of Protein,,,,,[Zn+2],
,,2UYV,,,,,,,
,,,TLA:A:1275,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1277,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1275,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:1275,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:1275,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:1276,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1276,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1276,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1276,Part of Protein,,,,,[Zn+2],
4.3.3.2,,,,,,,,,
,Family. Representative Entry is ,3V1S,,,,,,,
,,,0LH:A:401,valid,,,,,c1ccc2c(c1)ccn2CCN,
,,,0LH:B:401,valid,,,,,c1ccc2c(c1)ccn2CCN,
2.7.8.-,,,,,,,,,
,Family. Representative Entry is ,6MPT,,,,,,,
,,,C30:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=CCC/C(=CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)C,
,,,CL:A:402,invalid,,,,,[Cl-],
,,4DE9,,,,,,,
,,,VTP:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,6MPS,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,JXD:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=CCC/C(=CCC/C(=CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,3C3D,,,,,,,
,,,FO1:A:401,valid,Kd,=,1.38,mM,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,FO1:B:401,valid,Kd,=,1.38,mM,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,FO1:C:401,valid,Kd,=,1.38,mM,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,FO1:D:401,valid,Kd,=,1.38,mM,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4MRT,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4UOR,,,,,,,
,,,GP9:E:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:B:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:I:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:A:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:G:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:F:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:D:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:K:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:J:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:C:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,GP9:H:700,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,MG:K:699,Part of Protein,,,,,[Mg+2],
,,,MG:I:699,Part of Protein,,,,,[Mg+2],
,,,MG:C:699,Part of Protein,,,,,[Mg+2],
,,,MG:J:699,Part of Protein,,,,,[Mg+2],
,,,MG:F:699,Part of Protein,,,,,[Mg+2],
,,,MG:G:699,Part of Protein,,,,,[Mg+2],
,,,MG:A:699,Part of Protein,,,,,[Mg+2],
,,,MG:B:699,Part of Protein,,,,,[Mg+2],
,,,MG:H:699,Part of Protein,,,,,[Mg+2],
,,,MG:E:699,Part of Protein,,,,,[Mg+2],
,,,MG:D:699,Part of Protein,,,,,[Mg+2],
3.1.1.31,,,,,,,,,
,Family. Representative Entry is ,1VL1,,,,,,,
,,,CIT:A:300,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
3.1.4.8,,,,,,,,,
,Family. Representative Entry is ,3DGY,,,,,,,
,,,2GP:B:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,BGC:A:99,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3D4A,,,,,,,
,,,3GP:B:99,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3D5I,,,,,,,
,,,SGP:B:98,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:99,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DH2,,,,,,,
,,,3GP:A:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,3GP:B:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,3GP:C:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,3GP:D:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,BGC:A:99,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:99,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:99,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1RGE,,,,,,,
,,,2GP:A:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,SO4:A:97,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2SAR,,,,,,,
,,,3GP:A:98,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,SO4:A:97,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:97,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RSN,,,,,,,
,,,SGP:A:97,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,,SGP:B:97,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N=C(NC2=O)N,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GMR,,,,,,,
,,,2GP:A:97,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:97,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GMP,,,,,,,
,,,2GP:A:97,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,2GP:B:97,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N=C(NC2=O)N,
,,,SO4:A:98,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.1.2,,,,,,,,,
,Family. Representative Entry is ,3VOZ,,,,,,,
,,,04A:A:601,valid,ic50,=,0.14,uM,c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CZD,,,,,,,
,,,GLU:A:600,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VP1,,,,,,,
,,,04A:A:601,valid,,,,,c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VP0,,,,,,,
,,,GLN:A:601,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VP4,,,,,,,
,,,BP9:A:601,valid,,,,,C(CCc1nnc(s1)N)Cc2nnc(s2)N,
,Family. Representative Entry is ,5FI7,,,,,,,
,,,5XZ:C:601,valid,ic50,=,40,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5,
,,,5XZ:A:601,valid,ic50,=,40,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)N3CC[C@@H](C3)Oc4nnc(s4)NC(=O)Cc5ccccc5,
,,3UO9,,,,,,,
,,,04A:B:2,valid,ic50,=,0.08,uM,c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4,
,,,04A:C:1,valid,ic50,=,0.08,uM,c1ccc(cc1)CC(=O)Nc2nnc(s2)CCSCCc3nnc(s3)NC(=O)Cc4ccccc4,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,5FI2,,,,,,,
,,,5XX:D:601,valid,ic50,=,70,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5,
,,,5XX:A:601,valid,ic50,=,70,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)N[C@@H]3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5,
,Family. Representative Entry is ,5WJ6,,,,,,,
,,,B4A:C:601,valid,Kd,=,27,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5,
,,,B4A:A:601,valid,Kd,=,27,nM,c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(CC3)c4nnc(s4)NC(=O)Cc5ccccc5,
,Family. Representative Entry is ,3IHB,,,,,,,
,,,GLU:A:500,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:500,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,TRS:A:600,valid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:600,valid,,,,,C(C(CO)(CO)[NH3+])O,
3.2.1.139,,,,,,,,,
,Family. Representative Entry is ,1H41,,,,,,,
,,,CO:A:1728,Part of Protein,,,,,[Co+2],
,,,CO:A:1729,Part of Protein,,,,,[Co+2],
,,,CO:A:1730,Part of Protein,,,,,[Co+2],
,,,CO:A:1731,Part of Protein,,,,,[Co+2],
,,,CO:A:1732,Part of Protein,,,,,[Co+2],
,,,CO:B:1728,Part of Protein,,,,,[Co+2],
,,,CO:B:1729,Part of Protein,,,,,[Co+2],
,,,CO:B:1730,Part of Protein,,,,,[Co+2],
,,,CO:B:1731,Part of Protein,,,,,[Co+2],
,,,CO:B:1732,Part of Protein,,,,,[Co+2],
,,,EDO:A:1714,invalid,,,,,C(CO)O,
,,,EDO:A:1715,invalid,,,,,C(CO)O,
,,,EDO:A:1716,invalid,,,,,C(CO)O,
,,,EDO:A:1717,invalid,,,,,C(CO)O,
,,,EDO:A:1718,invalid,,,,,C(CO)O,
,,,EDO:A:1719,invalid,,,,,C(CO)O,
,,,EDO:A:1720,invalid,,,,,C(CO)O,
,,,EDO:A:1721,invalid,,,,,C(CO)O,
,,,EDO:A:1722,invalid,,,,,C(CO)O,
,,,EDO:A:1723,invalid,,,,,C(CO)O,
,,,EDO:A:1724,invalid,,,,,C(CO)O,
,,,EDO:A:1725,invalid,,,,,C(CO)O,
,,,EDO:A:1726,invalid,,,,,C(CO)O,
,,,EDO:A:1727,invalid,,,,,C(CO)O,
,,,EDO:B:1714,invalid,,,,,C(CO)O,
,,,EDO:B:1715,invalid,,,,,C(CO)O,
,,,EDO:B:1716,invalid,,,,,C(CO)O,
,,,EDO:B:1717,invalid,,,,,C(CO)O,
,,,EDO:B:1718,invalid,,,,,C(CO)O,
,,,EDO:B:1719,invalid,,,,,C(CO)O,
,,,EDO:B:1720,invalid,,,,,C(CO)O,
,,,EDO:B:1721,invalid,,,,,C(CO)O,
,,,EDO:B:1722,invalid,,,,,C(CO)O,
,,,EDO:B:1723,invalid,,,,,C(CO)O,
,,,EDO:B:1724,invalid,,,,,C(CO)O,
,,,EDO:B:1725,invalid,,,,,C(CO)O,
,,,EDO:B:1726,invalid,,,,,C(CO)O,
,,,EDO:B:1727,invalid,,,,,C(CO)O,
,,,GCV:A:1713,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O,
,,,GCV:B:1713,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O,
,,1GQK,,,,,,,
,,,BDP:A:1713,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:B:1713,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,CO:A:1720,Part of Protein,,,,,[Co+2],
,,,CO:A:1721,Part of Protein,,,,,[Co+2],
,,,CO:A:1722,Part of Protein,,,,,[Co+2],
,,,CO:A:1723,Part of Protein,,,,,[Co+2],
,,,CO:B:1720,Part of Protein,,,,,[Co+2],
,,,CO:B:1721,Part of Protein,,,,,[Co+2],
,,,CO:B:1722,Part of Protein,,,,,[Co+2],
,,,CO:B:1723,Part of Protein,,,,,[Co+2],
,,,EDO:A:1714,invalid,,,,,C(CO)O,
,,,EDO:A:1715,invalid,,,,,C(CO)O,
,,,EDO:A:1716,invalid,,,,,C(CO)O,
,,,EDO:A:1717,invalid,,,,,C(CO)O,
,,,EDO:A:1718,invalid,,,,,C(CO)O,
,,,EDO:A:1719,invalid,,,,,C(CO)O,
,,,EDO:B:1714,invalid,,,,,C(CO)O,
,,,EDO:B:1715,invalid,,,,,C(CO)O,
,,,EDO:B:1716,invalid,,,,,C(CO)O,
,,,EDO:B:1717,invalid,,,,,C(CO)O,
,,,EDO:B:1718,invalid,,,,,C(CO)O,
,,,EDO:B:1719,invalid,,,,,C(CO)O,
,,1GQJ,,,,,,,
,,,CO:A:1721,Part of Protein,,,,,[Co+2],
,,,CO:A:1722,Part of Protein,,,,,[Co+2],
,,,CO:A:1723,Part of Protein,,,,,[Co+2],
,,,CO:A:1724,Part of Protein,,,,,[Co+2],
,,,CO:B:1721,Part of Protein,,,,,[Co+2],
,,,CO:B:1722,Part of Protein,,,,,[Co+2],
,,,CO:B:1723,Part of Protein,,,,,[Co+2],
,,,CO:B:1724,Part of Protein,,,,,[Co+2],
,,,EDO:A:1713,invalid,,,,,C(CO)O,
,,,EDO:A:1714,invalid,,,,,C(CO)O,
,,,EDO:A:1715,invalid,,,,,C(CO)O,
,,,EDO:A:1716,invalid,,,,,C(CO)O,
,,,EDO:A:1717,invalid,,,,,C(CO)O,
,,,EDO:A:1718,invalid,,,,,C(CO)O,
,,,EDO:B:1713,invalid,,,,,C(CO)O,
,,,EDO:B:1714,invalid,,,,,C(CO)O,
,,,EDO:B:1715,invalid,,,,,C(CO)O,
,,,EDO:B:1716,invalid,,,,,C(CO)O,
,,,EDO:B:1717,invalid,,,,,C(CO)O,
,,,EDO:B:1718,invalid,,,,,C(CO)O,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,1GQL,,,,,,,
,,,BDP:A:1706,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:B:1705,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,CO:A:1714,invalid,,,,,[Co+2],
,,,CO:A:1715,invalid,,,,,[Co+2],
,,,CO:A:1716,invalid,,,,,[Co+2],
,,,CO:A:1717,invalid,,,,,[Co+2],
,,,CO:B:1714,invalid,,,,,[Co+2],
,,,CO:B:1715,invalid,,,,,[Co+2],
,,,CO:B:1716,invalid,,,,,[Co+2],
,,,CO:B:1717,invalid,,,,,[Co+2],
,,,EDO:A:1707,invalid,,,,,C(CO)O,
,,,EDO:A:1708,invalid,,,,,C(CO)O,
,,,EDO:A:1709,invalid,,,,,C(CO)O,
,,,EDO:A:1710,invalid,,,,,C(CO)O,
,,,EDO:A:1711,invalid,,,,,C(CO)O,
,,,EDO:B:1706,invalid,,,,,C(CO)O,
,,,EDO:B:1707,invalid,,,,,C(CO)O,
,,,EDO:B:1708,invalid,,,,,C(CO)O,
,,,EDO:B:1709,invalid,,,,,C(CO)O,
,,,EDO:B:1710,invalid,,,,,C(CO)O,
,,,EDO:B:1711,invalid,,,,,C(CO)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,1L8N,,,,,,,
,,,GCW:A:701,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)O)O)O)O,
,,,GOL:A:750,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:751,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:752,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:753,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:754,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:755,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:756,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:757,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:759,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:760,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:761,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:762,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:763,invalid,,,,,C(C(CO)O)O,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,1K9F,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,XYP XYP GCV:B:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(O)OC2)O1,
,,1MQQ,,,,,,,
,,,GCU:A:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GOL:A:751,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:752,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:753,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:754,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:755,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:756,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:757,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:759,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:761,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:762,invalid,,,,,C(C(CO)O)O,
,,1K9E,,,,,,,
,,,GCV:A:701,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6KCX,,,,,,,
,,,CIT:A:505,valid,ic50,=,6,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:504,valid,ic50,=,6,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IPA:A:503,invalid,,,,,CC(C)O,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,1VJT,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.7.1.99,,,,,,,,,
,Family. Representative Entry is ,5J6A,,,,,,,
,,,P46:A:501,valid,Kd,=,22,nM,c1cc2cn(cc2cc1NC3CCN(CC3)C(=O)[C@H](CC(=O)N)N)S(=O)(=O)c4ccc(cc4O)O,
,,2BU8,,,,,,,
,,,ADP:A:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1378,Part of Protein,,,,,[Mg+2],
,,,TF4:A:1379,valid,,,,,C(C(=O)O)(Cl)Cl,
,,1JM6,,,,,,,
,,,ADP:A:3500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:4601,Part of Protein,,,,,[Mg+2],
,,,MG:B:4611,Part of Protein,,,,,[Mg+2],
,,6LIO,,,,,,,
,,,EH3:B:404,valid,Kd,=,64.4,nM,CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl,
,,,EH3:A:405,valid,Kd,=,64.4,nM,CS(=O)(=O)N1CCC(CC1)Oc2ccc(cc2)c3c(onc3C(=O)NCC4CCC(CC4)C(=O)O)c5cc(c(cc5O)O)Cl,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BU6,,,,,,,
,,,TF2:A:1386,valid,,,,,CC[N@@](c1ccccc1)S(=O)(=O)c2ccc(c(c2)C)NC(=O)[C@](C)(C(F)(F)F)O,
,,4MPN,,,,,,,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,PV0:A:501,valid,Kd,=,239,nM,c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O)O,
,,5M4M,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,7FW:A:401,valid,Ki,=,1.02,uM,CN(Cc1ccc2c(c1)nccn2)C(=O)c3ccc(cc3)N(Cc4ccccc4)C(=O)c5ccc(cc5O)O,
,,,TF3:A:402,valid,,,,,CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN,
,,2BU7,,,,,,,
,,,TF3:A:1386,valid,,,,,CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN,
,,5J71,,,,,,,
,,,P35:A:502,valid,,,,,c1cc2c(cc1NC3CCNCC3)CN(C2)S(=O)(=O)c4ccc(cc4O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4MP2,,,,,,,
,,,PV1:A:501,valid,Kd,=,3570,nM,c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4MPE,,,,,,,
,,,PV8:A:501,valid,Kd,=,426,nM,c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4V26,,,,,,,
,,,7TJ:A:1370,valid,,,,,Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CNC(=O)C(F)(F)F)C(=O)c4ccc(cc4O)O)Cl,
,,,TF3:A:1367,valid,,,,,CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN,
,,,MG:A:1368,invalid,,,,,[Mg+2],
,,,MG:A:1369,invalid,,,,,[Mg+2],
,,5M4P,,,,,,,
,,,7FE:A:401,valid,,,,,Cc1cnc(nc1c2ccc(cc2)N(Cc3ccc(cc3)CN4CCCC4)C(=O)c5ccc(cc5O)O)Cl,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,TF3:A:402,valid,,,,,CC(C)c1ccc(cc1)COc2ccc(cc2Cl)CC(=O)NCCN,
,,2BU5,,,,,,,
,,,TF1:A:1386,valid,,,,,C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N,
,,2BU2,,,,,,,
,,,ATP:A:1386,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1388,Part of Protein,,,,,[Mg+2],
,,,TF1:A:1387,valid,,,,,C[C@H]1CN([C@@H](CN1C(=O)[C@](C)(C(F)(F)F)O)C)C(=O)c2ccc(cc2)C#N,
,,6LIL,,,,,,,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,EGX:A:405,valid,,,,,c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5,
,,,EGX:B:404,valid,,,,,c1ccc2c(c1)C(=O)c3cccc(c3C2=O)c4cnn(c4)C5CCNCC5,
,,,FLC:B:401,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:401,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,4MP7,,,,,,,
,,,PFT:A:501,valid,Kd,=,1827,nM,c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4MPC,,,,,,,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,PV2:A:502,valid,Kd,=,711,nM,c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O,
,Family. Representative Entry is ,1Y8O,,,,,,,
,,,ADP:A:504,valid,Kd,=,1.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,RED:B:373,Part of Protein,,,,,C(CCC(=O)O)C[C@H](CCS)S,
3.2.1.169,,,,,,,,,
,Family. Representative Entry is ,5ABF,,,,,,,
,,,CA:B:1715,Part of Protein,,,,,[Ca+2],
,,,EDO:B:1716,invalid,,,,,C(CO)O,
,,,EDO:A:1716,invalid,,,,,C(CO)O,
,,,XRJ:A:1717,valid,Ki,=,14,uM,CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,,,XRJ:B:1717,valid,Ki,=,14,uM,CCCCCN1[C@H]([C@H]([C@@H]([C@H]1CO)O)O)CC(=O)NC,
,Family. Representative Entry is ,5M7S,,,,,,,
,,,NHT:B:1001,valid,Ki,=,0.9,nM,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NHT:A:1001,valid,Ki,=,0.9,nM,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,5M7U,,,,,,,
,,,XHA:A:1001,valid,Ki,=,8,nM,CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O,
,,,XHA:B:1001,valid,Ki,=,8,nM,CNC(=O)C[C@@H]1[C@@H]([C@@H]([C@H](N1CCCc2cccc(c2)C(F)(F)F)CO)O)O,
,Family. Representative Entry is ,5UN9,,,,,,,
,,,NHT:A:801,valid,Ki,=,21,nM,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NHT:B:801,valid,Ki,=,21,nM,CCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,Family. Representative Entry is ,2XSB,,,,,,,
,,,CL:A:1437,invalid,,,,,[Cl-],
,,,GDL:A:1436,valid,ic50,=,11,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,7KHS,,,,,,,
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,WG4:D:501,valid,,,,,Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C,
,,,WG4:A:501,valid,,,,,Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C,
,,,WG4:B:501,valid,,,,,Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C,
,,,WG4:C:501,valid,,,,,Cc1cc(nc2n1ccn2)N3CC[C@@]4(C3)CCN(C4)Cc5cnc(s5)NC(=O)C,
,,,EDO:C:502,invalid,,,,,C(CO)O,
2.7.9.3,,,,,,,,,
,Family. Representative Entry is ,3FD5,,,,,,,
,,,AP2:A:393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,AP2:B:393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,K:A:398,Part of Protein,,,,,[K+],
,,,K:B:398,Part of Protein,,,,,[K+],
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:A:396,Part of Protein,,,,,[Mg+2],
,,,MG:A:397,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:396,Part of Protein,,,,,[Mg+2],
,,,MG:B:397,Part of Protein,,,,,[Mg+2],
,,,PO4:A:394,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:394,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3FD6,,,,,,,
,,,ADP:A:393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:A:396,Part of Protein,,,,,[Mg+2],
,,,MG:A:397,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:396,Part of Protein,,,,,[Mg+2],
,,,MG:B:397,Part of Protein,,,,,[Mg+2],
,,,NA:A:398,Part of Protein,,,,,[Na+],
,,,NA:B:398,Part of Protein,,,,,[Na+],
,,,PO4:A:394,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:394,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YYE,,,,,,,
,,,APC:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CO:A:702,Part of Protein,,,,,[Co+2],
,,,CO:A:703,Part of Protein,,,,,[Co+2],
,,,CO:A:704,Part of Protein,,,,,[Co+2],
,,,CO:A:705,Part of Protein,,,,,[Co+2],
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:B:701,Part of Protein,,,,,[Co+2],
,,,CO:B:802,Part of Protein,,,,,[Co+2],
,,,CO:B:803,Part of Protein,,,,,[Co+2],
,,,CO:B:804,Part of Protein,,,,,[Co+2],
,,,CO:B:805,Part of Protein,,,,,[Co+2],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
3.5.4.1,,,,,,,,,
,Family. Representative Entry is ,3O7U,,,,,,,
,,,GOL:A:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,O7U:A:430,valid,Ki,=,52,nM,C1=C[P@](=O)(NC(=O)N1)N,
,,,PEG:A:437,invalid,,,,,C(COCCO)O,
,,,PEG:A:438,invalid,,,,,C(COCCO)O,
,,,PXN:A:427,invalid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,ZN:A:428,Part of Protein,,,,,[Zn+2],
,,,ZN:A:429,Part of Protein,,,,,[Zn+2],
,,3RN6,,,,,,,
,,,IGA:A:430,valid,,,,,c1[nH]c2c(n1)NC(=O)N=C2N,
,,,PXN:A:427,invalid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,ZN:A:428,Part of Protein,,,,,[Zn+2],
,,,ZN:A:429,Part of Protein,,,,,[Zn+2],
,,1K70,,,,,,,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,HPY:A:501,valid,,,,,C1=CNC(=O)N[C@H]1O,
,,1RA5,,,,,,,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FPY:A:501,valid,,,,,C1=C([C@@H](NC(=O)N1)O)F,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,1RA0,,,,,,,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FPY:A:501,valid,,,,,C1=C([C@@H](NC(=O)N1)O)F,
,,1RAK,,,,,,,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FPY:A:501,valid,,,,,C1=C([C@@H](NC(=O)N1)O)F,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1P6O,,,,,,,
,,,ACY:A:420,invalid,,,,,CC(=O)O,
,,,ACY:B:421,invalid,,,,,CC(=O)O,
,,,ACY:B:422,invalid,,,,,CC(=O)O,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,HPY:A:411,valid,,,,,C1=CNC(=O)N[C@H]1O,
,,,HPY:B:410,valid,,,,,C1=CNC(=O)N[C@H]1O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,1UAQ,,,,,,,
,,,DUC:A:300,valid,,,,,C1CNC(=O)NC1=O,
,,,DUC:B:300,valid,,,,,C1CNC(=O)NC1=O,
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,,,ZN:B:200,Part of Protein,,,,,[Zn+2],
4.99.1.2,,,,,,,,,
,Family. Representative Entry is ,5U83,,,,,,,
,,,BR:B:301,invalid,,,,,[Br-],
,,,ZN8:A:301,valid,,,,,C[Sn](C)(C)Cl,
,,,ZN8:B:302,valid,,,,,C[Sn](C)(C)Cl,
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5U88,,,,,,,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ZN9:B:301,valid,,,,,C[Pb](C)(C)Br,
,,,ZN9:A:301,valid,,,,,C[Pb](C)(C)Br,
,,5U82,,,,,,,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ZN0:A:301,valid,,,,,CC[Sn](CC)(CC)Cl,
,,,ZN0:B:301,valid,,,,,CC[Sn](CC)(CC)Cl,
,,,BR:A:303,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
1.7.3.1,,,,,,,,,
,Family. Representative Entry is ,3D9F,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:701,invalid,,,,,C(C(CO)O)O,
,,,N6C:A:600,valid,Ki,=,130,mM,CCCCCC[N+](=O)[O-],
,,,N6C:B:600,valid,Ki,=,130,mM,CCCCCC[N+](=O)[O-],
,,,N6C:C:600,valid,Ki,=,130,mM,CCCCCC[N+](=O)[O-],
,,,N6C:D:600,valid,Ki,=,130,mM,CCCCCC[N+](=O)[O-],
,,2ZAF,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3D9E,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:700,invalid,,,,,C(C(CO)O)O,
,,,N8C:A:600,valid,,,,,CCCCCCCC[N+](=O)[O-],
,,,N8C:B:600,valid,,,,,CCCCCCCC[N+](=O)[O-],
,,,N8C:C:600,valid,,,,,CCCCCCCC[N+](=O)[O-],
,,,N8C:D:600,valid,,,,,CCCCCCCC[N+](=O)[O-],
,,2REH,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2C12,,,,,,,
,,,FAD:A:1432,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1432,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1433,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1433,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:1432,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:1432,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1434,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1435,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1432,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1435,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1436,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1437,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1432,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1435,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1436,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1437,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1434,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1435,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1434,invalid,,,,,C(C(CO)O)O,
,,,PE4:B:1436,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:F:1435,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SPM:B:1433,valid,Ki,~,200,mM,C(CCNCCCN)CNCCCN,
,,,SPM:C:1434,valid,Ki,~,200,mM,C(CCNCCCN)CNCCCN,
,,,SPM:D:1434,valid,Ki,~,200,mM,C(CCNCCCN)CNCCCN,
,,,SPM:F:1433,valid,Ki,~,200,mM,C(CCNCCCN)CNCCCN,
,,3D9G,,,,,,,
,,,FAD CNX:A:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C#N)CCCCC)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD CNX:B:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C#N)CCCCC)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD CNX:C:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C#N)CCCCC)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD CNX:D:500,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C#N)CCCCC)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:701,invalid,,,,,C(C(CO)O)O,
,,3D9D,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:701,invalid,,,,,C(C(CO)O)O,
,,,N6C:A:600,valid,,,,,CCCCCC[N+](=O)[O-],
,,,N6C:B:600,valid,,,,,CCCCCC[N+](=O)[O-],
,,,N6C:C:600,valid,,,,,CCCCCC[N+](=O)[O-],
,,,N6C:D:600,valid,,,,,CCCCCC[N+](=O)[O-],
,,3FCJ,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:700,invalid,,,,,C(C(CO)O)O,
,,,NIE:A:600,valid,,,,,CC[N+](=O)[O-],
,,,NIE:B:600,valid,,,,,CC[N+](=O)[O-],
,,,NIE:C:600,valid,,,,,CC[N+](=O)[O-],
,,,NIE:D:600,valid,,,,,CC[N+](=O)[O-],
,Family. Representative Entry is ,2C0U,,,,,,,
,,,FAD NBT:A:1432,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C(N(O)O)C)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBT:B:1432,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C(N(O)O)C)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBT:C:1432,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C(N(O)O)C)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBT:D:1432,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(C(N(O)O)C)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,Family. Representative Entry is ,3MKH,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:439,invalid,,,,,[Mg+2],
,,,MG:C:439,invalid,,,,,[Mg+2],
,,,SO4:A:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3BW2,,,,,,,
,,,FMN:A:370,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPD:A:371,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3BW3,,,,,,,
,,,FMN:A:370,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPD:A:372,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:373,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NIE:A:371,valid,,,,,CC[N+](=O)[O-],
1.13.11.24,,,,,,,,,
,Family. Representative Entry is ,1GQG,,,,,,,
,,,CU:A:1352,Part of Protein,,,,,[Cu+2],
,,,CU:B:1352,Part of Protein,,,,,[Cu+2],
,,,CU:C:1352,Part of Protein,,,,,[Cu+2],
,,,CU:D:1352,Part of Protein,,,,,[Cu+2],
,,,DCD:A:1351,valid,,,,,CCN(CC)C(=S)S,
,,,DCD:B:1351,valid,,,,,CCN(CC)C(=S)S,
,,,DCD:C:1351,valid,,,,,CCN(CC)C(=S)S,
,,,DCD:D:1351,valid,,,,,CCN(CC)C(=S)S,
,,,NAG:A:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1GQH,,,,,,,
,,,CU:A:1352,Part of Protein,,,,,[Cu+2],
,,,CU:B:1352,Part of Protein,,,,,[Cu+2],
,,,CU:C:1352,Part of Protein,,,,,[Cu+2],
,,,CU:D:1352,Part of Protein,,,,,[Cu+2],
,,,KOJ:A:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,KOJ:B:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,KOJ:C:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,KOJ:D:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,NAG:A:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1358,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1358,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG MAN MAN:G:1,Part of Protein,,,,,,
,,,NAG NAG MAN MAN:F:1,Part of Protein,,,,,,
,,1H1M,,,,,,,
,,,CU:A:1361,Part of Protein,,,,,[Cu+2],
,,,CU:B:1359,Part of Protein,,,,,[Cu+2],
,,,CU:C:1359,Part of Protein,,,,,[Cu+2],
,,,CU:D:1357,Part of Protein,,,,,[Cu+2],
,,,KMP:A:1360,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,KMP:B:1358,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,KMP:C:1358,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,KMP:D:1356,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,MPD:A:1362,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1360,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1361,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:1360,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:E:1,Part of Protein,,,,,,
,,1H1I,,,,,,,
,,,CU:A:1357,Part of Protein,,,,,[Cu+2],
,,,CU:B:1355,Part of Protein,,,,,[Cu+2],
,,,CU:C:1357,Part of Protein,,,,,[Cu+2],
,,,CU:D:1356,Part of Protein,,,,,[Cu+2],
,,,MPD:A:1359,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1357,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1358,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:1351,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1352,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1352,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1356,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1351,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1354,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1355,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,QUE:A:1358,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:1356,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:C:1358,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:D:1357,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,Family. Representative Entry is ,5FLJ,,,,,,,
,,,NI:F:300,Part of Protein,,,,,[Ni+2],
,,,NI:C:300,Part of Protein,,,,,[Ni+2],
,,,NI:D:300,Part of Protein,,,,,[Ni+2],
,,,NI:H:300,Part of Protein,,,,,[Ni+2],
,,,NI:K:300,Part of Protein,,,,,[Ni+2],
,,,NI:E:300,Part of Protein,,,,,[Ni+2],
,,,NI:G:300,Part of Protein,,,,,[Ni+2],
,,,NI:I:300,Part of Protein,,,,,[Ni+2],
,,,NI:B:300,Part of Protein,,,,,[Ni+2],
,,,NI:L:300,Part of Protein,,,,,[Ni+2],
,,,NI:J:300,Part of Protein,,,,,[Ni+2],
,,,NI:A:300,Part of Protein,,,,,[Ni+2],
,,,DMS:D:1186,invalid,,,,,CS(=O)C,
,,,DMS:L:1186,invalid,,,,,CS(=O)C,
,,,DMS:G:1186,invalid,,,,,CS(=O)C,
,,,DMS:F:1186,invalid,,,,,CS(=O)C,
,,,DMS:K:1186,invalid,,,,,CS(=O)C,
,,,DMS:A:1185,invalid,,,,,CS(=O)C,
,,,DMS:H:1186,invalid,,,,,CS(=O)C,
,,,DMS:D:1188,invalid,,,,,CS(=O)C,
,,,DMS:D:1187,invalid,,,,,CS(=O)C,
,,,DMS:B:1186,invalid,,,,,CS(=O)C,
,,,DMS:J:1186,invalid,,,,,CS(=O)C,
,,,DMS:H:1187,invalid,,,,,CS(=O)C,
,,,DMS:I:1186,invalid,,,,,CS(=O)C,
,,,DMS:E:1186,invalid,,,,,CS(=O)C,
,,,DMS:E:1187,invalid,,,,,CS(=O)C,
,,,QUE:D:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:C:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:E:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:A:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:G:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:I:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:H:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:F:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:J:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:K:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:L:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,OXY:C:302,invalid,,,,,O=O,
,,,OXY:F:302,invalid,,,,,O=O,
,,5FLI,,,,,,,
,,,QUE:H:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:F:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:D:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:C:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:J:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:E:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:K:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:A:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:G:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:L:301,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,NI:F:300,Part of Protein,,,,,[Ni+2],
,,,NI:C:300,Part of Protein,,,,,[Ni+2],
,,,NI:J:300,Part of Protein,,,,,[Ni+2],
,,,NI:D:300,Part of Protein,,,,,[Ni+2],
,,,NI:A:300,Part of Protein,,,,,[Ni+2],
,,,NI:K:300,Part of Protein,,,,,[Ni+2],
,,,NI:H:300,Part of Protein,,,,,[Ni+2],
,,,NI:E:300,Part of Protein,,,,,[Ni+2],
,,,NI:G:300,Part of Protein,,,,,[Ni+2],
,,,NI:I:300,Part of Protein,,,,,[Ni+2],
,,,NI:B:300,Part of Protein,,,,,[Ni+2],
,,,NI:L:300,Part of Protein,,,,,[Ni+2],
10.-.-.-,,,,,,,,,
,Family. Representative Entry is ,5U98,,,,,,,
,,,1KX:D:301,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,1KX:A:301,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,VAL THR THR ASP ILE GLN VAL LYS VAL:C:1,valid,Kd,=,0.2,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)C(O)C)C(O)C)CC(=O)[O-])C(CC)C)CCC(=O)N)C(C)C)CCCC[NH3+])C(C)C,
,,,VAL THR THR ASP ILE GLN VAL LYS VAL:F:1,valid,Kd,=,0.2,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)C(O)C)C(O)C)CC(=O)[O-])C(CC)C)CCC(=O)N)C(C)C)CCCC[NH3+])C(C)C,
,,4QRT,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,GLU LEU ASN ARG LYS MET ILE TYR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)N)CCCNC(=[NH2+])N)CCCC[NH3+])CCSC)C(CC)C)Cc1ccc(O)cc1)C(=O)[O-])C,
,,3KPN,,,,,,,
,,,GLU GLU TYR LEU GLN ALA PHE THR TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)N)C)Cc1ccccc1)C(O)C)Cc1ccc(O)cc1,
,,4U1H,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,THR PRO GLN ASP LEU ASN THR MET LEU:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)CCC(=O)N)CC(=O)[O-])CC(C)C)CC(=O)N)C(O)C)C(=O)NC(C(=O)[O-])CC(C)C)C,
,,3LKP,,,,,,,
,,,LEU PRO PHE ASP LYS SER THR ILE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])CO)C(O)C)C(CC)C)C(=O)[O-])C,
,,1A9E,,,,,,,
,,,LEU PRO PRO LEU ASP ILE THR PRO TYR:C:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C=O)Cc2ccc(O)cc2)CCC1)C(O)C)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CC(C)C)CCC2)CCC1)CC(C)C)CC(=O)[O-])C(CC)C,
,,1W0W,,,,,,,
,,,ARG ARG LEU PRO ILE PHE SER ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)CCC1)C(CC)C)Cc1ccccc1)CO)CCCNC(=[NH2+])N)CC(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,4G8I,,,,,,,
,,,LYS ARG TRP ILE ILE MET GLY LEU ASN LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)N)CC(C)C)C,
,,,TRS:A:500,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5IND,,,,,,,
,,,GLN ALA SER GLN ASP VAL LYS ASN TRP:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)CCC(=O)N)CC(=O)[O-])C(C)C)CCCC[NH3+])CC(=O)N)Cc1c2c([nH]c1)cccc2,
,,,GLN ALA SER GLN ASP VAL LYS ASN TRP:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)CCC(=O)N)CC(=O)[O-])C(C)C)CCCC[NH3+])CC(=O)N)Cc1c2c([nH]c1)cccc2,
,,2BVP,,,,,,,
,,,ILE SER PRO ARG THR LEU ASP ALA TRP:C:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc2c3c([nH]c2)cccc3)C)CC(=O)[O-])CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)CO)C([NH3+])C(CC)C,
,,6PYL,,,,,,,
,,,MG:B:101,Part of Protein,,,,,[Mg+2],
,,,LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)CC(C)C)CC(C)C)CC(=O)N)CCCC[NH3+],
,,5V5L,,,,,,,
,,,THR SER THR LEU GLN GLU GLN ILE GLY TRP:E:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)C(O)C)CC(C)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)N)C(CC)C)Cc1c2c([nH]c1)cccc2,
,,,THR SER THR LEU GLN GLU GLN ILE GLY TRP:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)C(O)C)CC(C)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)N)C(CC)C)Cc1c2c([nH]c1)cccc2,
,,5DEG,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ARG ARG LYS TRP ARG ARG TRP HIS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)CC(C)C,
,,1UXS,,,,,,,
,,,ARG ARG ARG TRP ARG ARG LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,6V2O,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ALA SER LEU ASN LEU PRO ALA VAL SER TRP:C:1,valid,Kd,=,48.7,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(C)C)CC(=O)N)CC(C)C)CCC1)C)C(C)C)CO)Cc1c2c([nH]c1)cccc2,
,,3VRJ,,,,,,,
,,,1KX:A:301,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,LEU THR THR LYS LEU THR ASN THR ASN ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)C(O)C)C(O)C)CCCC[NH3+])CC(C)C)C(O)C)CC(=O)N)C(O)C)CC(=O)N)C(CC)C,
,,3BP4,,,,,,,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,ILE ARG ALA ALA PRO PRO PRO LEU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)C)C)CCC3)CCC2)CCC1)CC(C)C)Cc1ccccc1,
,,3X12,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,6PYJ,,,,,,,
,,,LEU ARG ASN GLN SER VAL PHE ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CO)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1,
,,6MTL,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,PHE GLU ASP LEU ARG VAL LEU SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)C(C)C)CC(C)C)CO)Cc1ccccc1,
,,4O2C,,,,,,,
,,,ACE SER HIS VAL ALA VAL GLU ASN ALA LEU:C:0,valid,ic50,=,10,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)Cc1nc[nH]c1)C(C)C)C)C(C)C)CCC(=O)[O-])CC(=O)N)C)CC(C)C,
,,5WMP,,,,,,,
,,,ZN:C:101,invalid,,,,,[Zn+2],
,,,IOD:B:102,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:B:101,invalid,,,,,[I-],
,,,IOD:A:301,invalid,,,,,[I-],
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,THR PRO ARG VAL THR GLY GLY GLY ALA MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)CCCNC(=[NH2+])N)C(C)C)C(O)C)C)C(=O)[O-])C,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,NA:A:303,invalid,,,,,[Na+],
,,5DEF,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,CL:C:102,invalid,,,,,[Cl-],
,,,ARG ARG LYS TRP ARG ARG TRP HIS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)CC(C)C,
,,6ULK,,,,,,,
,,,GLY ALA ASP GLY VAL GLY LYS SER ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C)CC(=O)[O-])C(C)C)CCCC[NH3+])CO)C)CC(C)C,
,,4U1M,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,5IM7,,,,,,,
,,,GLN ALA SER GLN GLU VAL LYS ASN TRP:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)CCC(=O)N)CCC(=O)[O-])C(C)C)CCCC[NH3+])CC(=O)N)Cc1c2c([nH]c1)cccc2,
,,,GLN ALA SER GLN GLU VAL LYS ASN TRP:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)CCC(=O)N)CCC(=O)[O-])C(C)C)CCCC[NH3+])CC(=O)N)Cc1c2c([nH]c1)cccc2,
,,1A1N,,,,,,,
,,,VAL PRO LEU ARG PRO MET THR TYR:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)C(O)C)C,
,,1OGT,,,,,,,
,,,ARG ARG LYS TRP ARG ARG TRP HIS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)CC(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1011,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1279,Part of Protein,,,,,[Mn+2],
,,3KPO,,,,,,,
,,,GLU GLU TYR LEU LYS ALA TRP THR PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCCC[NH3+])C)Cc1c2c([nH]c1)cccc2)C(O)C)Cc1ccccc1,
,,5WMR,,,,,,,
,,,GLN ILE LYS VAL ARG VAL ASP MET VAL:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C(CC)C)CCCC[NH3+])C(C)C)CCCNC(=[NH2+])N)C(C)C)CC(=O)[O-])C(=O)NC(C(=O)[O-])C(C)C)C,
,,2A83,,,,,,,
,,,ARG ARG ARG TRP HIS ARG TRP ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CC(C)C,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,NA:B:920,invalid,,,,,[Na+],
,,6PYW,,,,,,,
,,,LEU ARG ASN GLN SER VAL PHE ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CO)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1,
,,3B6S,,,,,,,
,,,ARG ARG LYS TRP CIR ARG TRP HIS LEU:C:1,valid,,,,,O=C(NCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)N,
,,1JGD,,,,,,,
,,,ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(=O)N)CCC(=O)N)Cc1ccc(O)cc1,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,5EO0,,,,,,,
,,,ARG PRO MET THR PHE LYS GLY ALA LEU:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C)CCCC[NH3+])Cc1ccccc1)C(O)C)C,
,,1HSA,,,,,,,
,,,ALA ARG ALA ALA ALA ALA ALA ALA ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C)C)C)C)C)C)C,
,,,ALA ARG ALA ALA ALA ALA ALA ALA ALA:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C)C)C)C)C)C)C,
,,1AGE,,,,,,,
,,,GLY GLY LYS LYS LYS TYR ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CC(C)C,
,,4JQV,,,,,,,
,,,ACT:C:101,invalid,,,,,CC(=O)[O-],
,,,SER GLU LEU GLU ILE LYS ARG TYR:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)[O-])CC(C)C)CCC(=O)[O-])C(CC)C)CCCC[NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1,
,,6V2Q,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,3X11,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,1M6O,,,,,,,
,,,GLU GLU PHE GLY ARG ALA PHE SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)C)Cc1ccccc1)CO)Cc1ccccc1,
,,6MT3,,,,,,,
,,,PHE GLU ASP LEU ARG VAL LEU SER PHE:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)C(C)C)CC(C)C)CO)Cc1ccccc1,
,,4G9D,,,,,,,
,,,LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)CC(C)C)CC(C)C)CC(=O)N)CCCC[NH3+],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,6BXP,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ARG VAL LYS GLU LYS TYR GLN HIS LEU KYN:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)Cc1nc[nH]c1)CC(C)C)CC(=O)c1c(N)cccc1.O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(C)C,
,,3LKR,,,,,,,
,,,LEU PRO PHE GLU ARG ALA THR VAL MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CCC(=O)[O-])CCCNC(=[NH2+])N)C)C(O)C)C(C)C)C(=O)[O-])C,
,,3KPP,,,,,,,
,,,GLU GLU TYR LEU GLN ALA PHE THR TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)N)C)Cc1ccccc1)C(O)C)Cc1ccc(O)cc1,
,,,PEG:B:100,invalid,,,,,C(COCCO)O,
,,,PEG:B:101,invalid,,,,,C(COCCO)O,
,,1K5N,,,,,,,
,,,GLY ARG PHE ALA ALA ALA ILE ALA LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)Cc1ccccc1)C)C)C)C(CC)C)C)CCCC[NH3+],
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,6MT4,,,,,,,
,,,PHE GLU ASP LEU ARG VAL SER SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)C(C)C)CO)CO)Cc1ccccc1,
,,4O2E,,,,,,,
,,,SER HIS VAL ALA VAL GLU ASN ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)C(C)C)C)C(C)C)CCC(=O)[O-])CC(=O)N)C)CC(C)C,
,,,SER HIS VAL ALA VAL GLU ASN ALA LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)C(C)C)C)C(C)C)CCC(=O)[O-])CC(=O)N)C)CC(C)C,
,,4U1N,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,3BP7,,,,,,,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,ILE ARG ALA ALA PRO PRO PRO LEU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)C)C)CCC3)CCC2)CCC1)CC(C)C)Cc1ccccc1,
,,1XR9,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU GLY PRO PRO GLY SER VAL TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCC2)CCC1)CO)C(C)C)Cc1ccc(O)cc1,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URE:A:2001,invalid,,,,,C(=O)(N)N,
,,5WMN,,,,,,,
,,,SER PRO ILE VAL PRO SER PHE ASP MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CO)CCC2)C(CC)C)C(C)C)CCC1)CO)Cc1ccccc1)CC(=O)[O-])C(=O)[O-])C,
,,,SER PRO ILE VAL PRO SER PHE ASP MET:E:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CO)CCC2)C(CC)C)C(C)C)CCC1)CO)Cc1ccccc1)CC(=O)[O-])C(=O)[O-])C,
,,1AGD,,,,,,,
,,,GLY GLY LYS LYS LYS TYR LYS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCCC[NH3+])CC(C)C,
,,3LKO,,,,,,,
,,,LEU PRO PHE ASP ARG THR THR ILE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CC(=O)[O-])CCCNC(=[NH2+])N)C(O)C)C(O)C)C(CC)C)C(=O)[O-])C,
,,1SYS,,,,,,,
,,,GLU GLU PRO THR VAL ILE LYS LYS TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])CCC1)C(O)C)C(C)C)C(CC)C)CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1,
,,3KPM,,,,,,,
,,,GLU GLU TYR LEU LYS ALA TRP THR PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCCC[NH3+])C)Cc1c2c([nH]c1)cccc2)C(O)C)Cc1ccccc1,
,,4U1S,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,PHE PRO ARG PRO TRP LEU HIS GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C([NH3+])Cc3ccccc3)CCC2)CCCNC(=[NH2+])N)CCC1)Cc1c2c([nH]c1)cccc2)CC(C)C)Cc1nc[nH]c1)CC(C)C,
,,4U1K,,,,,,,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2H6P,,,,,,,
,,,LYS PRO ILE VAL VAL LEU HIS GLY TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)C(CC)C)C(C)C)C(C)C)CC(C)C)Cc1nc[nH]c1)Cc1ccc(O)cc1,
,,4XXC,,,,,,,
,,,ASP GLU LEU GLU ILE LYS ALA TYR:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])CC(C)C)CCC(=O)[O-])C(CC)C)CCCC[NH3+])C)Cc1ccc(O)cc1,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,3UPR,,,,,,,
,,,1KX:A:277,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,1KX:C:277,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,CL:A:278,invalid,,,,,[Cl-],
,,,CL:C:278,invalid,,,,,[Cl-],
,,,HIS SER ILE THR TYR LEU LEU PRO VAL:P:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)CO)C(CC)C)C(O)C)Cc2ccc(O)cc2)CC(C)C)CC(C)C)CCC1)C(C)C,
,,,HIS SER ILE THR TYR LEU LEU PRO VAL:Q:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)CO)C(CC)C)C(O)C)Cc2ccc(O)cc2)CC(C)C)CC(C)C)CCC1)C(C)C,
,,6V2P,,,,,,,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,ALA SER LEU ASN LEU PRO ALA VAL SER TRP:C:1,valid,Kd,=,56.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(C)C)CC(=O)N)CC(C)C)CCC1)C)C(C)C)CO)Cc1c2c([nH]c1)cccc2,
,,,ACT:B:702,invalid,,,,,CC(=O)[O-],
,,4QRQ,,,,,,,
,,,HIS SER LYS LYS LYS CYS ASP GLU LEU:C:1,valid,Kd,=,2.48,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CO)CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)[O-])CC(=O)[O-],
,,3X13,,,,,,,
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,,3VRI,,,,,,,
,,,1KX:A:301,valid,,,,,c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4,
,,,ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(C)C)C)CCC(=O)N)CC(C)C)C)C)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LV3,,,,,,,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,SER ARG ARG TRP ARG ARG TRP ASN ARG:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CC(=O)N)CCCNC(=[NH2+])N,
,,1UXW,,,,,,,
,,,ARG ARG ARG TRP ARG ARG LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1010,invalid,,,,,C(C(CO)O)O,
,,1XR8,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,LEU GLU LYS ALA ARG GLY SER THR TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCC(=O)[O-])CCCC[NH3+])C)CCCNC(=[NH2+])N)CO)C(O)C)Cc1ccc(O)cc1,
,,,PG4:A:1001,invalid,,,,,C(COCCOCCOCCO)O,
,,,URE:A:2001,invalid,,,,,C(=O)(N)N,
,,1AGC,,,,,,,
,,,GLY GLY LYS LYS LYS TYR GLN LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,5WMO,,,,,,,
,,,ARG PRO PRO ILE PHE ILE ARG ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1)C(CC)C)Cc1ccccc1)C(CC)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C,
,,1A1M,,,,,,,
,,,THR PRO TYR ASP ILE ASN GLN MET LEU:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)Cc1ccc(O)cc1)CC(=O)[O-])C(CC)C)CC(=O)N)CCC(=O)N)C(=O)NC(C(=O)[O-])CC(C)C)C,
,,4U1L,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:E:102,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,,ARG PRO GLN VAL PRO LEU ARG PRO MET:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC3)CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)[O-])C,
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SKO,,,,,,,
,,,NA:A:278,Part of Protein,,,,,[Na+],
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,,3BXN,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,ILE ARG ALA ALA PRO PRO PRO LEU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)C)C)CCC3)CCC2)CCC1)CC(C)C)Cc1ccccc1,
,,1A1O,,,,,,,
,,,LYS PRO ILE VAL GLN TYR ASP ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)C(CC)C)C(C)C)CCC(=O)N)Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)Cc1ccccc1,
,,3DX7,,,,,,,
,,,ACT:A:1357,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1428,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1429,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1428,invalid,,,,,CC(=O)[O-],
,,,GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])CC(=O)N)CC(C)C)CC(C)C)CC(=O)[O-])Cc1ccccc1)C(C)C)CCCNC(=[NH2+])N)Cc1ccccc1,
,,,GOL:A:3731,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3732,invalid,,,,,C(C(CO)O)O,
,,6PZ5,,,,,,,
,,,LEU ARG ASN GLN SER VAL PHE ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CO)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1,
,,5W67,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,VAL ARG SER ARG ARG ABA LEU ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CCCNC(=[NH2+])N)CO)CCC)CCCNC(=[NH2+])N)CC)CC(C)C)CCCNC(=[NH2+])N)CC(C)C,
,,5EO1,,,,,,,
,,,ARG PRO MET THR TYR LYS GLY ALA LEU:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C)CCCC[NH3+])Cc1ccc(O)cc1)C(O)C)C,
,,1M05,,,,,,,
,,,CD:B:101,invalid,,,,,[Cd+2],
,,,CD:D:101,invalid,,,,,[Cd+2],
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:E:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,,5TXS,,,,,,,
,,,ALA GLN ASP ILE TYR ARG ALA SER TYR:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CO)C)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)N)CC(=O)[O-])C(CC)C,
,,6PYV,,,,,,,
,,,LEU ARG ASN GLN SER VAL PHE ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCCNC(=[NH2+])N)CC(=O)N)CCC(=O)N)CO)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1,
,,2BSR,,,,,,,
,,,ARG ARG ILE TYR ASP LEU ILE GLU LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(CC)C)Cc1ccc(O)cc1)CC(=O)[O-])CC(C)C)C(CC)C)CCC(=O)[O-])CC(C)C,
,,5WMQ,,,,,,,
,,,GLU LEU ARG SER ARG TYR TRP ALA ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)C)C(CC)C,
,,4QRS,,,,,,,
,,,GLU LEU LYS ARG LYS MET ILE TYR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])CCSC)C(CC)C)Cc1ccc(O)cc1)C(=O)[O-])C,
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,2BST,,,,,,,
,,,SER ARG TYR TRP ALA ILE ARG THR ARG:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)C)C(CC)C)CCCNC(=[NH2+])N)C(O)C)CCCNC(=[NH2+])N,
,,4U1I,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,THR PRO GLN ASP LEU ASN THR MET LEU:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)CCC(=O)N)CC(=O)[O-])CC(C)C)CC(=O)N)C(O)C)C(=O)NC(C(=O)[O-])CC(C)C)C,
,,6BXQ,,,,,,,
,,,ARG VAL LYS GLU LYS TYR GLN HIS LEU TRP:A:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)N)Cc1nc[nH]c1)CC(C)C)Cc1c2c([nH]c1)cccc2.O=C(NC(C(=O)NC(C=O)CCC(=O)[O-])CCCC[NH3+])C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(C)C,
,,6MT5,,,,,,,
,,,PHE GLU ASP LEU ARG LEU LEU SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CO)Cc1ccccc1,
,,1AGB,,,,,,,
,,,GLY GLY ARG LYS LYS TYR LYS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCCC[NH3+])CC(C)C,
,,3LKQ,,,,,,,
,,,LEU PRO PHE ASP LYS THR THR ILE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])C(O)C)C(O)C)C(CC)C)C(=O)[O-])C,
,,2AXG,,,,,,,
,,,ACY:A:1001,invalid,,,,,CC(=O)O,
,,,ACY:B:1002,invalid,,,,,CC(=O)O,
,,,ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C3N(C(=O)C([NH3+])C)CCC3)CCC(=O)N)CCC2)C)CCC1)CCC(=O)[O-])CC(=O)N)C)Cc1ccc(O)cc1,
,,3DX6,,,,,,,
,,,ACT:A:1428,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1429,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1430,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1431,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1432,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1433,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1434,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1435,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1428,invalid,,,,,CC(=O)[O-],
,,,GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])CC(=O)N)CC(C)C)CC(C)C)CC(=O)[O-])Cc1ccccc1)C(C)C)CCCNC(=[NH2+])N)Cc1ccccc1,
,,,GOL:B:3731,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3732,invalid,,,,,C(C(CO)O)O,
,,1AGF,,,,,,,
,,,GLY GLY LYS LYS ARG TYR LYS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH3+])CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)CCCC[NH3+])CC(C)C,
,,2CIK,,,,,,,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,LYS PRO ILE VAL VAL LEU HIS GLY TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)C(CC)C)C(C)C)C(C)C)CC(C)C)Cc1nc[nH]c1)Cc1ccc(O)cc1,
,,3LKN,,,,,,,
,,,LEU PRO PHE GLU ARG ALA THR ILE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CCC(=O)[O-])CCCNC(=[NH2+])N)C)C(O)C)C(CC)C)C(=O)[O-])C,
,,2BSS,,,,,,,
,,,LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)CC(C)C)CC(C)C)CC(=O)N)CCCC[NH3+],
,,3C9N,,,,,,,
,,,EPE:B:100,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PG4:A:277,invalid,,,,,C(COCCOCCOCCO)O,
,,,VAL GLN GLN GLU SER SER PHE VAL MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CCC(=O)N)CCC(=O)N)CCC(=O)[O-])CO)CO)Cc1ccccc1)C(C)C)C(=O)[O-])C,
,,4U1J,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,THR PRO GLN ASP LEU ASN THR MET LEU:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)CCC(=O)N)CC(=O)[O-])CC(C)C)CC(=O)N)C(O)C)C(=O)NC(C(=O)[O-])CC(C)C)C,
,,3B3I,,,,,,,
,,,ARG ARG LYS TRP CIR ARG TRP HIS LEU:C:1,valid,,,,,O=C(NCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)N,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,3DX8,,,,,,,
,,,GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])CC(=O)N)CC(C)C)CC(C)C)CC(=O)[O-])Cc1ccccc1)C(C)C)CCCNC(=[NH2+])N)Cc1ccccc1,
,,,GOL:A:3731,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3732,invalid,,,,,C(C(CO)O)O,
,,3KPL,,,,,,,
,,,GLU GLU TYR LEU GLN ALA PHE THR TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)N)C)Cc1ccccc1)C(O)C)Cc1ccc(O)cc1,
,,5VGD,,,,,,,
,,,SER ALA GLU PRO VAL PRO LEU GLN LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C)CCC(=O)[O-])CCC2)C(C)C)CCC1)CC(C)C)CCC(=O)N)CC(C)C,
,,1OF2,,,,,,,
,,,ARG ARG LYS TRP ARG ARG TRP HIS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)Cc1nc[nH]c1)CC(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1011,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1278,Part of Protein,,,,,[Mn+2],
,,1W0V,,,,,,,
,,,ARG ARG LEU PRO ILE PHE SER ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)CCC1)C(CC)C)Cc1ccccc1)CO)CCCNC(=[NH2+])N)CC(C)C,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,1E27,,,,,,,
,,,LEU PRO PRO VAL VAL ALA LYS GLU ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CC(C)C)CCC2)CCC1)C(C)C)C(C)C)C)CCCC[NH3+])CCC(=O)[O-])C(CC)C,
,,6MT6,,,,,,,
,,,PHE GLU ASP LEU ARG VAL LEU SER PHE:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)C(C)C)CC(C)C)CO)Cc1ccccc1,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:101,invalid,,,,,CC(=O)[O-],
,,1JGE,,,,,,,
,,,GLY ARG PHE ALA ALA ALA ILE ALA LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)Cc1ccccc1)C)C)C)C(CC)C)C)CCCC[NH3+],
,,5T6W,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SER SER THR ARG GLY ILE SER GLN LEU TRP:C:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(O)C)CCCNC(=[NH2+])N)C(CC)C)CO)CCC(=O)N)CC(C)C)Cc1c2c([nH]c1)cccc2,
,,3X14,,,,,,,
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,,1N2R,,,,,,,
,,,ACY:A:501,invalid,,,,,CC(=O)O,
,,,ACY:A:502,invalid,,,,,CC(=O)O,
,,,GLU GLU PHE GLY ARG ALA PHE SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)C)Cc1ccccc1)CO)Cc1ccccc1,
,,4QRU,,,,,,,
,,,GLU LEU ARG ARG LYS MET MET TYR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])CCSC)CCSC)Cc1ccc(O)cc1)C(=O)[O-])C,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5W6A,,,,,,,
,,,ALA ARG THR GLU LEU TYR ARG SER LEU:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CO)CC(C)C,
,,,ALA ARG THR GLU LEU TYR ARG SER LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CO)CC(C)C,
,,2AXF,,,,,,,
,,,ACY:A:1001,invalid,,,,,CC(=O)O,
,,,ACY:A:1002,invalid,,,,,CC(=O)O,
,,,ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C3N(C(=O)C([NH3+])C)CCC3)CCC(=O)N)CCC2)C)CCC1)CCC(=O)[O-])CC(=O)N)C)Cc1ccc(O)cc1,
,,4NT6,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,3BWA,,,,,,,
,,,PHE PRO THR LYS ASP VAL ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)C(O)C)CCCC[NH3+])CC(=O)[O-])C(C)C)C)CC(C)C,
,,5T6X,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,THR SER THR THR SER VAL ALA SER SER TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)C(O)C)C(O)C)CO)C(C)C)C)CO)CO)Cc1c2c([nH]c1)cccc2,
,,4O2F,,,,,,,
,,,HIS VAL ALA VAL GLU ASN ALA LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)C(C)C)C)C(C)C)CCC(=O)[O-])CC(=O)N)C)CC(C)C,
,,,HIS VAL ALA VAL GLU ASN ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)C(C)C)C)C(C)C)CCC(=O)[O-])CC(=O)N)C)CC(C)C,
,,3SKM,,,,,,,
,,,PHE LEU ARG GLY ARG ALA TYR VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)C(C)C)CC(C)C,
,,1SYV,,,,,,,
,,,GLU GLU PHE GLY ARG ALA PHE SER PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)C)Cc1ccccc1)CO)Cc1ccccc1,
,,3KPQ,,,,,,,
,,,GLU GLU TYR LEU LYS ALA TRP THR PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCCC[NH3+])C)Cc1c2c([nH]c1)cccc2)C(O)C)Cc1ccccc1,
,,3LKS,,,,,,,
,,,LEU PRO PHE GLU LYS SER THR VAL MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CO)C(O)C)C(C)C)C(=O)[O-])C,
,Family. Representative Entry is ,3BHB,,,,,,,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,LYS MET ASP SEP PHE LEU ASP MET GLN LEU:C:1,valid,ic50,=,3.4,nM,S(CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)N)CCSC)CC(=O)[O-])CC(C)C)Cc1ccccc1)COP(=O)([O-])[O-])CC(=O)[O-])C,
,,1B0G,,,,,,,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,3GSW,,,,,,,
,,,ASN LEU VAL PRO MET VAL ALA ALA VAL:P:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C)C(C)C)C,
,,5HGA,,,,,,,
,,,ARG PHE PRO LEU THR PHE GLY TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,,ARG PHE PRO LEU THR PHE GLY TRP:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,2X4O,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1102,invalid,,,,,C(C(CO)O)O,
,,,LYS LEU THR PRO LEU CYS VAL THR LEU:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(O)C)CCC1)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C(O)C)C(C)C,
,,,LYS LEU THR PRO LEU CYS VAL THR LEU:F:1,valid,,,,,SCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(O)C)CCC1)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C(O)C)C(C)C,
,,,MES:B:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1276,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1277,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5N6B,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:E:103,invalid,,,,,C(CO)O,
,,,EDO:E:102,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EPE:A:306,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:302,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU TRP ASN GLY PRO MET ALA VAL:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C,
,,,LEU LEU TRP ASN GLY PRO MET ALA VAL:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C,
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,PEG:E:104,invalid,,,,,C(COCCO)O,
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,6PTE,,,,,,,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,NA:F:201,Part of Protein,,,,,[Na+],
,,,NA:L:201,Part of Protein,,,,,[Na+],
,,,NA:I:201,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,ILE LEU ASN ALA MET ILE THR LYS ILE:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C(O)C)C(CC)C)C,
,,,ILE LEU ASN ALA MET ILE THR LYS ILE:G:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C(O)C)C(CC)C)C,
,,,ILE LEU ASN ALA MET ILE THR LYS ILE:J:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C(O)C)C(CC)C)C,
,,,ILE LEU ASN ALA MET ILE THR LYS ILE:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C(O)C)C(CC)C)C,
,,6O4Y,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,LYS LEU VAL VAL GLY ALA VAL GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C,
,,1QR1,,,,,,,
,,,ILE ILE SER ALA VAL VAL GLY ILE LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)C(CC)C)CO)C)C(C)C)C(C)C)C(CC)C)CC(C)C,
,,,ILE ILE SER ALA VAL VAL GLY ILE LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)C(CC)C)CO)C)C(C)C)C(C)C)C(CC)C)CC(C)C,
,,3O3B,,,,,,,
,,,GLU LEU ALA GIC 3AZ LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)CN(C(=O)Cc2c3c([nH]c2)cccc3)CCNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GLU LEU ALA GIC 3AZ LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)CN(C(=O)Cc2c3c([nH]c2)cccc3)CCNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:9,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:9,invalid,,,,,C(C(CO)O)O,
,,5C0I,,,,,,,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,GOL:B:107,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ARG GLN PHE GLY PRO ASP PHE PRO THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,5N1Y,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,MET VAL TRP GLY PRO ASP PRO LEU TYR VAL:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])CCC1)Cc1c2c([nH]c1)cccc2)C(C)C)C,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,5GSD,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,SER SER CYS PRO LEU SER LYS:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CO)CC(C)C)CCC1,
,,1I1Y,,,,,,,
,,,TYR LEU LYS GLU PRO VAL HIS GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccc(O)cc2)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,,TYR LEU LYS GLU PRO VAL HIS GLY VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccc(O)cc2)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,3FT3,,,,,,,
,,,VAL LEU HIS ASP ASP LEU LEU GLU ALA:P:1,valid,ic50,=,44,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)[O-])CC(=O)[O-])CC(C)C)CC(C)C)CCC(=O)[O-])C,
,,6TDO,,,,,,,
,,,GLY MET:A:301,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,2VLL,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:F:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,1T1Z,,,,,,,
,,,ALA LEU TYR ASN THR ALA ALA ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C)C)C)CC(C)C,
,,3FQT,,,,,,,
,,,CD:A:276,invalid,,,,,[Cd+2],
,,,CD:A:277,invalid,,,,,[Cd+2],
,,,CD:A:278,invalid,,,,,[Cd+2],
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:A:280,invalid,,,,,[Cd+2],
,,,CD:B:99,invalid,,,,,[Cd+2],
,,,GLY LEU LEU GLY SER PRO VAL ARG ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(C)C)CC(C)C)CO)CCC1)C(C)C)CCCNC(=[NH2+])N)C,
,,,GOL:A:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:10,invalid,,,,,C(C(CO)O)O,
,,,MG:A:281,Part of Protein,,,,,[Mg+2],
,,3GSQ,,,,,,,
,,,ASN LEU VAL PRO SER VAL ALA THR VAL:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)CO)C(C)C)C)C(O)C)C(C)C,
,,4NQX,,,,,,,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:N:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:R:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:Q:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:P:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:M:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU ASN ASP TYR:O:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CC(=O)N)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,6J1V,,,,,,,
,,,ALA ILE PHE GLN SER SER MET THR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,3VXN,,,,,,,
,,,ARG TYR PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)Cc1ccccc1,
,,6JP3,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ALA THR ILE GLY THR:C:1,valid,,,,,O=C(NC(C(=O)NCC(=O)NC(C=O)C(O)C)C(CC)C)C(NC(=O)C([NH3+])C)C(O)C,
,,,ALA MET TYR LYS:D:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C,
,,5C0J,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc2ccccc2)CCC1)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(CC)C)C(C)C)C,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,1DUZ,,,,,,,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,3H7B,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,MET LEU TRP GLY TYR LEU GLN TYR VAL:C:1,valid,Kd,=,41,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)CC(C)C)C,
,,,MET LEU TRP GLY TYR LEU GLN TYR VAL:F:1,valid,Kd,=,41,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)CC(C)C)C,
,,3WL9,,,,,,,
,,,ASN TYR THR PRO GLY PRO GLY ILE ARG PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)Cc3ccc(O)cc3)C(O)C)CCC2)CCC1)C(CC)C)CCCNC(=[NH2+])N)Cc1ccccc1,
,,4JFP,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:E:103,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GLU LEU ALA ALA ILE GLY ILE LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GLU LEU ALA ALA ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,EPE:D:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,3FQW,,,,,,,
,,,ARG VAL ALA SER PRO THR SER GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(C)C)C)CO)CCC1)C(O)C)CO)C(C)C,
,,,CD:A:276,invalid,,,,,[Cd+2],
,,,CD:A:277,invalid,,,,,[Cd+2],
,,,CD:A:278,invalid,,,,,[Cd+2],
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:A:280,invalid,,,,,[Cd+2],
,,,CO:B:99,Part of Protein,,,,,[Co+2],
,,1TVB,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1013,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1019,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1017,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1018,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1020,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1021,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1022,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1016,invalid,,,,,C(C(CO)O)O,
,,,ILE THR ASP GLN VAL PRO PHE SER VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)C(O)C)CC(=O)[O-])CCC(=O)N)C(C)C)CCC1)Cc1ccccc1)CO)C(C)C,
,,,ILE THR ASP GLN VAL PRO PHE SER VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)C(O)C)CC(=O)[O-])CCC(=O)N)C(C)C)CCC1)Cc1ccccc1)CO)C(C)C,
,,1T1W,,,,,,,
,,,SER LEU PHE ASN THR ILE ALA VAL LEU:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)C(C)C)C)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,5C0F,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:311,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACY:A:316,invalid,,,,,CC(=O)O,
,,,ACY:C:101,invalid,,,,,CC(=O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3c4c([nH]c3)cccc4)CCC2)CC(=O)[O-])CCC1)C)C)C(C)C,
,,3MYJ,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,TYR MET PHE PRO ASN ALA PRO TYR LEU:C:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc3ccc(O)cc3)CCC2)C)CC(=O)N)CCC1)Cc1ccccc1)C,
,,,TYR MET PHE PRO ASN ALA PRO TYR LEU:F:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc3ccc(O)cc3)CCC2)C)CC(=O)N)CCC1)Cc1ccccc1)C,
,,4WJ5,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GRN NVA ALA GLY ILE GLY ILE LEU THR LPH:C:0,valid,ic50,=,0.51,uM,O=C(NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C=C=C)C(O)C)CC(C)C)C(CC)C)C(CC)C)C)CCC)C([NH3+])(C)c1ccccc1,
,,,GRN NVA ALA GLY ILE GLY ILE LEU THR LPH:F:0,valid,ic50,=,0.51,uM,O=C(NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C=C=C)C(O)C)CC(C)C)C(CC)C)C(CC)C)C)CCC)C([NH3+])(C)c1ccccc1,
,,1Q94,,,,,,,
,,,ALA ILE PHE GLN SER SER MET THR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,,ALA ILE PHE GLN SER SER MET THR LYS:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,3H9H,,,,,,,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,MET LEU TRP GLY TYR LEU GLN TYR VAL:C:1,valid,Kd,=,5.4,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)CC(C)C)C,
,,,MET LEU TRP GLY TYR LEU GLN TYR VAL:F:1,valid,Kd,=,5.4,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)CC(C)C)C,
,,3O3E,,,,,,,
,,,BAL LEU ALA TIG 3AZ LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)C([NH2+]CCNC(=O)C(NC(=O)C(NC(=O)CC[NH3+])CC(C)C)C)Cc2c3c([nH]c2)cccc3)ccc1)CC(C)C)C(O)C)C(C)C,
,,,BAL LEU ALA TIG 3AZ LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)C([NH2+]CCNC(=O)C(NC(=O)C(NC(=O)CC[NH3+])CC(C)C)C)Cc2c3c([nH]c2)cccc3)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,4I4W,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU ALA LYS PHE LEU HIS ARG LEU:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)Cc1ccccc1)CCCC[NH3+])C)CC(C)C)C([NH3+])C(CC)C,
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X4R,,,,,,,
,,,ASN LEU VAL PRO MET VAL ALA THR VAL:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C)C(C)C)C,
,,,ASN LEU VAL PRO MET VAL ALA THR VAL:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C)C(C)C)C,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1010,invalid,,,,,C(C(CO)O)O,
,,4HWZ,,,,,,,
,,,ALA ILE PHE GLN SER SER MET THR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,3PWJ,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU TYR GLY PHE VAL ASN TYR VAL:C:1,valid,Kd,=,70,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU TYR GLY PHE VAL ASN TYR VAL:F:1,valid,Kd,=,70,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(C)C,
,,3FQN,,,,,,,
,,,CD:A:276,invalid,,,,,[Cd+2],
,,,CD:A:277,invalid,,,,,[Cd+2],
,,,CD:A:278,invalid,,,,,[Cd+2],
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:B:99,invalid,,,,,[Cd+2],
,,,CD:C:11,invalid,,,,,[Cd+2],
,,,GOL:A:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,MG:A:280,Part of Protein,,,,,[Mg+2],
,,,MG:A:281,Part of Protein,,,,,[Mg+2],
,,,TYR LEU ASP SER GLY ILE HIS SER GLY ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(N)Cc1nc[nH]c1)CO)C.O=C(NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CC(C)C)C([NH3+])Cc1ccc(O)cc1,
,,6UJO,,,,,,,
,,,LYS GLN TRP LEU VAL TRP LEU PHE LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC(=O)N)Cc1c2c([nH]c1)cccc2)CC(C)C)C(C)C)Cc1c2c([nH]c1)cccc2)CC(C)C)Cc1ccccc1)CC(C)C,
,,1S9W,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:A:275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5C0G,,,,,,,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,TYR LEU GLY GLY PRO ASP PHE PRO THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HX1,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SER VAL TYR ASP PHE PHE VAL TRP LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(C)C)Cc1ccc(O)cc1)CC(=O)[O-])Cc1ccccc1)Cc1ccccc1)C(C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,3MGO,,,,,,,
,,,ARG LEU TYR GLN ASN PRO THR THR TYR ILE:C:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,ARG LEU TYR GLN ASN PRO THR THR TYR ILE:F:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,ARG LEU TYR GLN ASN PRO THR THR TYR ILE:I:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,ARG LEU TYR GLN ASN PRO THR THR TYR ILE:L:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,1I7R,,,,,,,
,,,PHE ALA PRO GLY PHE PHE PRO TYR LEU:C:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc3ccc(O)cc3)CCC2)Cc2ccccc2)Cc2ccccc2)CCC1)C)C([NH3+])Cc1ccccc1,
,,,PHE ALA PRO GLY PHE PHE PRO TYR LEU:F:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc3ccc(O)cc3)CCC2)Cc2ccccc2)Cc2ccccc2)CCC1)C)C([NH3+])Cc1ccccc1,
,,1X7Q,,,,,,,
,,,GOL:A:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5007,invalid,,,,,C(C(CO)O)O,
,,,LYS THR PHE PRO PRO THR GLU PRO LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(O)C)Cc4ccccc4)CCC3)CCC2)C(O)C)CCC(=O)[O-])CCC1)CCCC[NH3+],
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WLB,,,,,,,
,,,ASN TYR THR PRO GLY PRO GLY THR ARG PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)Cc3ccc(O)cc3)C(O)C)CCC2)CCC1)C(O)C)CCCNC(=[NH2+])N)Cc1ccccc1,
,,3RL2,,,,,,,
,,,GLN VAL PRO LEU ARG PRO MET THR TYR LYS:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C(O)C)C,
,,2GUO,,,,,,,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:601,invalid,,,,,C(C(CO)O)O,
,,,NA:E:605,Part of Protein,,,,,[Na+],
,,4JFQ,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,MES:A:308,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:306,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLU LEU ALA GLY ILE GLY ILE ALA THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C(CC)C)C(CC)C)C)C(O)C)C(C)C,
,,,GLU LEU ALA GLY ILE GLY ILE ALA THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C(CC)C)C(CC)C)C)C(O)C)C(C)C,
,,5EU4,,,,,,,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SO4:E:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR LEU ALA PRO GLY PRO VAL THR ALA:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)C)CCC2)CCC1)C(C)C)C(O)C)C,
,,,TYR LEU ALA PRO GLY PRO VAL THR ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)C)CCC2)CCC1)C(C)C)C(O)C)C,
,,1I7U,,,,,,,
,,,ALA LEU TRP GLY PHE VAL PRO VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)C(C)C)CCC1)C(C)C)CC(C)C,
,,,ALA LEU TRP GLY PHE VAL PRO VAL LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)C(C)C)CCC1)C(C)C)CC(C)C,
,,6O53,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,NA:A:606,invalid,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,LYS LEU VAL VAL VAL GLY ALA VAL GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5C0D,,,,,,,
,,,ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)N)Cc3c4c([nH]c3)cccc4)CCC2)CC(=O)[O-])CCC1)C)C)C,
,,3GSO,,,,,,,
,,,ASN LEU VAL PRO MET VAL ALA THR VAL:P:1,valid,Kd,=,27.7,uM,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C)C(C)C)C,
,,3HPJ,,,,,,,
,,,ARG MET PHE PRO ASN ALA PRO TYR LEU:C:1,valid,,,,,S(CCC(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc3ccc(O)cc3)CCC2)C)CC(=O)N)CCC1)Cc1ccccc1)C,
,,,ARG MET PHE PRO ASN ALA PRO TYR LEU:F:1,valid,,,,,S(CCC(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc3ccc(O)cc3)CCC2)C)CC(=O)N)CCC1)Cc1ccccc1)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,3KLA,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN LEU:C:1,valid,Kd,=,31.1,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SER LEU LEU MET TRP ILE THR GLN LEU:F:1,valid,Kd,=,31.1,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,4K7F,,,,,,,
,,,VAL CYS TRP GLY GLU LEU MET ASN LEU:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CS)Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CC(C)C)C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(=O)N)C,
,,,VAL CYS TRP GLY GLU LEU MET ASN LEU:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CS)Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CC(C)C)C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(=O)N)C,
,,2V2W,,,,,,,
,,,SER LEU TYR ASN THR VAL ALA THR LEU:C:1,valid,Kd,=,2.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,,SER LEU TYR ASN THR VAL ALA THR LEU:F:1,valid,Kd,=,2.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,5SWQ,,,,,,,
,,,CYS VAL ASN GLY SER CYS PHE THR VAL:C:100,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)Cc1ccccc1)CS)CO)CC(=O)N)C(C)C,
,,3I6L,,,,,,,
,,,GLN PHE LYS ASP ASN VAL ILE LEU LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)Cc1ccccc1)CCCC[NH3+])CC(=O)[O-])CC(=O)N)C(C)C)C(CC)C)CC(C)C)CC(C)C,
,,6O4Z,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:306,invalid,,,,,[Na+],
,,,NA:A:307,invalid,,,,,[Na+],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,LYS LEU VAL VAL VAL ALA VAL GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C,
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QVO,,,,,,,
,,,GLN VAL PRO LEU ARG PRO MET THR TYR LYS:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C(O)C)C,
,,,GLN VAL PRO LEU ARG PRO MET THR TYR LYS:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCC(=O)N)C(C)C)CCC2)CC(C)C)CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C(O)C)C,
,,2GIT,,,,,,,
,,,FMT:B:809,invalid,,,,,C(=O)O,
,,,FMT:B:810,invalid,,,,,C(=O)O,
,,,FMT:C:813,invalid,,,,,C(=O)O,
,,,FMT:D:808,invalid,,,,,C(=O)O,
,,,FMT:D:812,invalid,,,,,C(=O)O,
,,,FMT:D:814,invalid,,,,,C(=O)O,
,,,FMT:D:815,invalid,,,,,C(=O)O,
,,,FMT:E:807,invalid,,,,,C(=O)O,
,,,FMT:E:811,invalid,,,,,C(=O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:801,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU PHE GLY LYS PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)CCCC)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY LYS PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)CCCC)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,NA:B:816,Part of Protein,,,,,[Na+],
,,5EU5,,,,,,,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:C:102,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,SO4:A:325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,TYR LEU GLU PRO ALA PRO VAL THR ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC(=O)[O-])CCC2)C)CCC1)C(C)C)C(O)C)C,
,,2X70,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1279,invalid,,,,,C(C(CO)O)O,
,,,LYS ILE LEU GLY PRV VAL PHE PRQ VAL:C:1,valid,,,,,O=C([O-])C([NH3+])C(C)C.O=C(NC(C(=O)NCC(=O)N)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,LYS ILE LEU GLY PRV VAL PHE PRQ VAL:F:1,valid,,,,,O=C([O-])C([NH3+])C(C)C.O=C(NC(C(=O)NCC(=O)N)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,MES:B:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1275,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1277,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2GTZ,,,,,,,
,,,ALA LEU GLY ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,ALA LEU GLY ILE GLY ILE LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,NA:B:5001,Part of Protein,,,,,[Na+],
,,,NA:E:5002,Part of Protein,,,,,[Na+],
,,3OXR,,,,,,,
,,,PHE LEU PRO SER ASP PHE PHE PRO SER VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)CC(C)C)CCC2)CO)CC(=O)[O-])Cc2ccccc2)Cc2ccccc2)CCC1)CO)C(C)C,
,,1T1Y,,,,,,,
,,,SER LEU TYR ASN VAL VAL ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(C)C)C(C)C)C)C(O)C)CC(C)C,
,,1EEZ,,,,,,,
,,,ILE LEU SER ALA LEU VAL GLY ILE LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CO)C)CC(C)C)C(C)C)C(CC)C)CC(C)C,
,,,ILE LEU SER ALA LEU VAL GLY ILE LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CO)C)CC(C)C)C(C)C)C(CC)C)CC(C)C,
,,1TVH,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1018,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1021,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1027,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1023,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1013,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1017,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1019,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1020,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1022,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1024,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1025,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1028,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1016,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1026,invalid,,,,,C(C(CO)O)O,
,,,ILE MET ASP GLN VAL PRO PHE SER VAL:C:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CO)Cc2ccccc2)CCC1)C(C)C)CCC(=O)N)CC(=O)[O-])C,
,,,ILE MET ASP GLN VAL PRO PHE SER VAL:F:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CO)Cc2ccccc2)CCC1)C(C)C)CCC(=O)N)CC(=O)[O-])C,
,,6PTB,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:102,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU ASN ALA MET ILE ALA LYS ILE:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C)C(CC)C)C,
,,,ILE LEU ASN ALA MET ILE ALA LYS ILE:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C)C(CC)C)C,
,,3REW,,,,,,,
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:D:277,invalid,,,,,[Cl-],
,,,CL:D:278,invalid,,,,,[Cl-],
,,,CL:E:101,invalid,,,,,[Cl-],
,,,CL:E:102,invalid,,,,,[Cl-],
,,,CYS LEU GLY GLY LEU LEU THR MET VAL:C:1,valid,Kd,=,28.8,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])CS)CC(C)C)CC(C)C)CC(C)C)C(O)C)C(=O)NC(C(=O)[O-])C(C)C)C,
,,,CYS LEU GLY GLY LEU LEU THR MET VAL:F:1,valid,Kd,=,28.8,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])CS)CC(C)C)CC(C)C)CC(C)C)C(O)C)C(=O)NC(C(=O)[O-])C(C)C)C,
,,,EDO:A:279,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,IOD:A:276,invalid,,,,,[I-],
,,,IOD:A:277,invalid,,,,,[I-],
,,,IOD:A:278,invalid,,,,,[I-],
,,,IOD:B:100,invalid,,,,,[I-],
,,,IOD:C:10,invalid,,,,,[I-],
,,,IOD:D:276,invalid,,,,,[I-],
,,,IOD:E:100,invalid,,,,,[I-],
,,,IOD:F:10,invalid,,,,,[I-],
,,6SSA,,,,,,,
,,,PEG:B:103,invalid,,,,,C(COCCO)O,
,,,PEG:D:302,invalid,,,,,C(COCCO)O,
,,,PEG:G:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:104,invalid,,,,,C(COCCO)O,
,,,PEG:J:303,invalid,,,,,C(COCCO)O,
,,,GOL:H:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:302,invalid,,,,,C(C(CO)O)O,
,,,EDO:K:302,invalid,,,,,C(CO)O,
,,,EDO:G:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,LEU LEU TRP ASN GLY PRO MET GLN VAL:L:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCC(=O)N)C,
,,,LEU LEU TRP ASN GLY PRO MET GLN VAL:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCC(=O)N)C,
,,,LEU LEU TRP ASN GLY PRO MET GLN VAL:I:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCC(=O)N)C,
,,,LEU LEU TRP ASN GLY PRO MET GLN VAL:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCC(=O)N)C,
,,,CA:K:301,Part of Protein,,,,,[Ca+2],
,,5MEQ,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,ILE LEU ALA LYS PHE LEU HIS THR LEU:C:1,valid,Kd,=,28,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)C)CCCC[NH3+])Cc1ccccc1)CC(C)C)Cc1nc[nH]c1)C(O)C)CC(C)C,
,,3I6G,,,,,,,
,,,GLY LEU MET TRP LEU SER TYR PHE VAL:C:0,valid,,,,,S(CCC(NC(=O)C(NC(=O)C[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccccc1)Cc1ccc(O)cc1)CO)CC(C)C)Cc1c2c([nH]c1)cccc2)C,
,,,GLY LEU MET TRP LEU SER TYR PHE VAL:F:0,valid,,,,,S(CCC(NC(=O)C(NC(=O)C[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccccc1)Cc1ccc(O)cc1)CO)CC(C)C)Cc1c2c([nH]c1)cccc2)C,
,,5NMH,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,SER LEU TYR ASN THR ILE ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(CC)C)C)C(O)C)CC(C)C,
,,2C7U,,,,,,,
,,,SER LEU PHE ASN THR ILE ALA VAL LEU:C:1,valid,Kd,=,100,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)C(C)C)C)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,,SER LEU PHE ASN THR ILE ALA VAL LEU:F:1,valid,Kd,=,100,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)C(C)C)C)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,1EEY,,,,,,,
,,,ILE LEU SER ALA LEU VAL GLY ILE VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CO)C)CC(C)C)C(C)C)C(CC)C)C(C)C,
,,,ILE LEU SER ALA LEU VAL GLY ILE VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CO)C)CC(C)C)C(C)C)C(CC)C)C(C)C,
,,1HHJ,,,,,,,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,5HGB,,,,,,,
,,,ARG TYR PRO LEU THR PHE GLY TRP:L:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,,ARG TYR PRO LEU THR PHE GLY TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,,ARG TYR PRO LEU THR PHE GLY TRP:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,,ARG TYR PRO LEU THR PHE GLY TRP:I:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,6SS7,,,,,,,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LEU LEU TRP ALA GLY PRO MET ALA VAL:C:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)C)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C,
,,,LEU LEU TRP ALA GLY PRO MET ALA VAL:F:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)C)CCC1)C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,6G3J,,,,,,,
,,,MET THR SER ALA ILE GLY ILE LEU PRO VAL:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])C(C)C)CCC1)CC(C)C)C(CC)C)C(CC)C)C)CO)C(O)C)C,
,,,MET THR SER ALA ILE GLY ILE LEU PRO VAL:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])C(C)C)CCC1)CC(C)C)C(CC)C)C(CC)C)C)CO)C(O)C)C,
,,2GTW,,,,,,,
,,,FMT:A:2003,invalid,,,,,C(=O)O,
,,,FMT:A:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:D:2001,invalid,,,,,C(=O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,LEU ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,LEU ALA GLY ILE GLY ILE LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,NA:B:3005,Part of Protein,,,,,[Na+],
,,,NA:E:3006,Part of Protein,,,,,[Na+],
,,3GSV,,,,,,,
,,,ASN LEU VAL PRO GLN VAL ALA THR VAL:P:1,valid,Kd,=,57.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)CCC(=O)N)C(C)C)C)C(O)C)C(C)C,
,,3D25,,,,,,,
,,,VAL LEU HIS ASP ASP LEU LEU GLU ALA:C:1,valid,ic50,=,22,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(C)C)Cc1nc[nH]c1)CC(=O)[O-])CC(=O)[O-])CC(C)C)CC(C)C)CCC(=O)[O-])C,
,,5EU3,,,,,,,
,,,TYR LEU GLU PRO GLY PRO VAL THR ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC(=O)[O-])CCC2)CCC1)C(C)C)C(O)C)C,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,3BH9,,,,,,,
,,,ARG THR TYR SEP GLY PRO MET ASN LYS VAL:C:1,valid,ic50,=,116.9,nM,S(CCC(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)Cc2ccc(O)cc2)COP(=O)([O-])[O-])CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCCC[NH3+])CC(=O)N)C,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,EDO:C:11,invalid,,,,,C(CO)O,
,,,NA:A:276,invalid,,,,,[Na+],
,,3OXS,,,,,,,
,,,PHE LEU PRO SER ASP PHE PHE PRO SER VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)CC(C)C)CCC2)CO)CC(=O)[O-])Cc2ccccc2)Cc2ccccc2)CCC1)CO)C(C)C,
,,2V2X,,,,,,,
,,,SER LEU PHE ASN THR VAL ALA THR LEU:C:1,valid,Kd,=,5.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,,SER LEU PHE ASN THR VAL ALA THR LEU:F:1,valid,Kd,=,5.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,4JFO,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,ALA LEU ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,Kd,=,140,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,ALA LEU ALA GLY ILE GLY ILE LEU THR VAL:F:1,valid,Kd,=,140,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HHP,,,,,,,
,,,GLY ILE LEU GLU PHE VAL PHE THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)CCC(=O)[O-])Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C)CC(C)C,
,,4GKS,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,EDO:E:102,invalid,,,,,C(CO)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,PHE LEU THR GLY ILE GLY ILE ILE THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)C(O)C)C(CC)C)C(CC)C)C(CC)C)C(O)C)C(C)C,
,,,PHE LEU THR GLY ILE GLY ILE ILE THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)C(O)C)C(CC)C)C(CC)C)C(CC)C)C(O)C)C(C)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T20,,,,,,,
,,,SER LEU TYR ASN THR ILE ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(CC)C)C)C(O)C)CC(C)C,
,,3GIV,,,,,,,
,,,SER LEU PHE ASN THR VAL ALA THR LEU TYR:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CC(C)C)C(O)C)C)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,,SER LEU PHE ASN THR VAL ALA THR LEU TYR:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CC(C)C)C(O)C)C)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,6SS8,,,,,,,
,,,SO4:B:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LEU LEU TRP ASN GLY PRO ILE ALA VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(CC)C)C)C(C)C,
,,,LEU LEU TRP ASN GLY PRO ILE ALA VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2c3c([nH]c2)cccc3)CC(=O)N)CCC1)C(CC)C)C)C(C)C,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,P4G:D:307,invalid,,,,,CCOCCOCCOCC,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,PEG:D:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:106,invalid,,,,,C(COCCO)O,
,,3VXP,,,,,,,
,,,ARG TYR PRO LEU THR LEU GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)CC(C)C)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,,,ARG TYR PRO LEU THR LEU GLY TRP CYS PHE:F:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)CC(C)C)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,,3PWL,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,LEU GLY TYR GLY PHE VAL ASN TYR ILE:C:1,valid,Kd,=,140,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(CC)C,
,,,LEU GLY TYR GLY PHE VAL ASN TYR ILE:F:1,valid,Kd,=,140,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(CC)C,
,,5NMK,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SER LEU PHE ASN THR ILE ALA VAL LEU:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)C(C)C)C)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccccc1)CC(=O)N)C(O)C,
,,6J2A,,,,,,,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:C:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,6J29,,,,,,,
,,,GLN ILE MET TYR ASN TYR PRO ALA MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C(CC)C)CCSC)Cc2ccc(O)cc2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)C(=O)[O-])C,
,,5C0E,,,,,,,
,,,PG4:B:106,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:321,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:320,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:319,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:318,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:107,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:105,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:110,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:109,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:322,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:108,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(CC)C)C,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,BR:A:301,invalid,,,,,[Br-],
,,3UTQ,,,,,,,
,,,ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc3c4c([nH]c3)cccc4)CCC2)CC(=O)[O-])CCC1)C)C)C,
,,4F7P,,,,,,,
,,,PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)C)CC(=O)N)Cc1ccccc1.O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C([NH3+])Cc1ccccc1,
,,3RL1,,,,,,,
,,,ALA ILE PHE GLN SER SER MET THR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,6O51,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NA:A:309,invalid,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CC(C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C,
,,5HGH,,,,,,,
,,,ARG TYR PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)Cc1ccccc1,
,,3QFD,,,,,,,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,Kd,=,68,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:F:1,valid,Kd,=,68,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NA:E:100,Part of Protein,,,,,[Na+],
,,3O3A,,,,,,,
,,,BAL LEU ALA GIC 3AZ LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)CN(C(=O)Cc2c3c([nH]c2)cccc3)CCNC(=O)C(NC(=O)C(NC(=O)CC[NH3+])CC(C)C)C)ccc1)CC(C)C)C(O)C)C(C)C,
,,,BAL LEU ALA GIC 3AZ LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)CN(C(=O)Cc2c3c([nH]c2)cccc3)CCNC(=O)C(NC(=O)C(NC(=O)CC[NH3+])CC(C)C)C)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:9,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:9,invalid,,,,,C(C(CO)O)O,
,,6VR5,,,,,,,
,,,HIS MET THR GLU VAL VAL ARG HIS CYS:Q:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(C)C)C(C)C)CCC(=O)[O-])C(O)C)C,
,,,HIS MET THR GLU VAL VAL ARG HIS CYS:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(C)C)C(C)C)CCC(=O)[O-])C(O)C)C,
,,2X4N,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1102,invalid,,,,,C(C(CO)O)O,
,,,LYS ILE LEU GLY PRV VAL PHE PRQ VAL:C:1,valid,,,,,O=C([O-])C([NH3+])C(C)C.O=C(NC(C(=O)NCC(=O)N)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,LYS ILE LEU GLY PRV VAL PHE PRQ VAL:F:1,valid,,,,,O=C([O-])C([NH3+])C(C)C.O=C(NC(C(=O)NCC(=O)N)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,MES:D:1276,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4F7T,,,,,,,
,,,ARG TYR GLY PHE VAL ALA ASN PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)C)CC(=O)N)Cc1ccccc1,
,,,ARG TYR GLY PHE VAL ALA ASN PHE:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)C)CC(=O)N)Cc1ccccc1,
,,5GRD,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SER SER CYS SER SER CYS PRO LEU SER LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)CSSC2)CCC1)CC(C)C)CO)CCCC[NH3+],
,,5MEO,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU GLY LYS PHE LEU HIS ARG LEU:C:1,valid,Kd,=,1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])Cc1ccccc1)CC(C)C)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CC(C)C,
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GSU,,,,,,,
,,,ASN LEU VAL PRO THR VAL ALA THR VAL:P:1,valid,Kd,=,58.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(O)C)C(C)C)C)C(O)C)C(C)C,
,,6TDP,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,GLY LEU:A:302,valid,,,,,O=C([O-])C(NC(=O)CN)CC(C)C,
,,5HGD,,,,,,,
,,,ARG PHE PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,,,ARG PHE PRO LEU THR PHE GLY TRP CYS PHE:F:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,,3IXA,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,Kd,=,9.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,Kd,=,9.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,3FT2,,,,,,,
,,,VAL LEU CIR ASP ASP LEU LEU GLU ALA:P:1,valid,ic50,=,44,nM,O=C(NCCCC(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)CCC(=O)[O-])CC(C)C)CC(C)C)CC(=O)[O-])CC(=O)[O-])N,
,,2GT9,,,,,,,
,,,GLU ALA ALA GLY ILE GLY ILE LEU THR VAL:C:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GLU ALA ALA GLY ILE GLY ILE LEU THR VAL:F:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:805,invalid,,,,,C(C(CO)O)O,
,,,NA:B:806,Part of Protein,,,,,[Na+],
,,,NA:E:807,Part of Protein,,,,,[Na+],
,,5MER,,,,,,,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:E:106,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:B:107,invalid,,,,,C(CO)O,
,,,EDO:C:102,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:E:103,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:E:105,invalid,,,,,C(CO)O,
,,,EDO:E:102,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:E:104,invalid,,,,,C(CO)O,
,,,SO4:D:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,MES:B:108,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:307,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:107,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ILE LEU ALA LYS PHE LEU HIS GLU LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)C)CCCC[NH3+])Cc1ccccc1)CC(C)C)Cc1nc[nH]c1)CCC(=O)[O-])CC(C)C,
,,,ILE LEU ALA LYS PHE LEU HIS GLU LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)C)CCCC[NH3+])Cc1ccccc1)CC(C)C)Cc1nc[nH]c1)CCC(=O)[O-])CC(C)C,
,,5HHN,,,,,,,
,,,GLY ILE LEU GLY LEU VAL PHE THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)CC(C)C)C(C)C)Cc1ccccc1)C(O)C)CC(C)C,
,,2CLR,,,,,,,
,,,MET LEU LEU SER VAL PRO LEU LEU LEU GLY:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(C)C)CC(C)C)CC(C)C)CCC1)C(C)C)CO)CC(C)C)CC(C)C)C,
,,,MET LEU LEU SER VAL PRO LEU LEU LEU GLY:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(C)C)CC(C)C)CC(C)C)CCC1)C(C)C)CO)CC(C)C)CC(C)C)C,
,,6JOZ,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ALA THR ILE GLY THR ALA MET TYR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(O)C)C(CC)C)C(O)C)C)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C,
,,1T22,,,,,,,
,,,SER LEU TYR ASN THR VAL ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,1I4F,,,,,,,
,,,1PG:A:502,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:501,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,GLY VAL TYR ASP GLY ARG GLU HIS THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(C)C)Cc1ccc(O)cc1)CC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-])Cc1nc[nH]c1)C(O)C)C(C)C,
,,6TDQ,,,,,,,
,,,GLY MET:A:303,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,,,GLY MET:A:305,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,,,GLY MET:C:306,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,,,GLY MET:C:304,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,3NFN,,,,,,,
,,,ARG TYR PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)Cc1ccccc1,
,,3FQU,,,,,,,
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:A:280,invalid,,,,,[Cd+2],
,,,CD:A:281,invalid,,,,,[Cd+2],
,,,CD:A:282,invalid,,,,,[Cd+2],
,,,CD:A:283,invalid,,,,,[Cd+2],
,,,CD:B:100,invalid,,,,,[Cd+2],
,,,GLY LEU LEU GLY SEP PRO VAL ARG ALA:C:1,valid,,,,,P(=O)(OCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(C)C)CC(C)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)CCCNC(=[NH2+])N)C(C)C)CCC1)([O-])[O-],
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:99,invalid,,,,,C(C(CO)O)O,
,,,MG:A:284,Part of Protein,,,,,[Mg+2],
,,1JF1,,,,,,,
,,,GLU LEU ALA GLY ILE GLY ILE LEU THR VAL:C:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,,ZN:A:9001,Part of Protein,,,,,[Zn+2],
,,1HHK,,,,,,,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,3BH8,,,,,,,
,,,ARG GLN ALA SEP ILE GLU LEU PRO SER MET:C:1,valid,ic50,=,11.2,nM,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)C)COP(=O)([O-])[O-])C(CC)C)CCC(=O)[O-])CC(C)C)CCC1)CO)C(=O)[O-])C,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,3BGM,,,,,,,
,,,ARG GLN ALA SEP LEU SER ILE SER VAL:C:1,valid,ic50,=,38.5,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CO)C(CC)C)CO)CC(C)C)([O-])[O-],
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:A:276,invalid,,,,,C(CO)O,
,,,EDO:A:277,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,3O3D,,,,,,,
,,,GLU LEU ALA TIG 3AZ LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)C(N=CCNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)Cc2c3c([nH]c2)cccc3)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GLU LEU ALA TIG 3AZ LEU THR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)c1cc(CNC(=O)C(N=CCNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)Cc2c3c([nH]c2)cccc3)ccc1)CC(C)C)C(O)C)C(C)C,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,3PWN,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:100,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU TYR GLY PHE VAL ASN TYR ILE:C:1,valid,Kd,=,48,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(CC)C,
,,,LEU LEU TYR GLY PHE VAL ASN TYR ILE:F:1,valid,Kd,=,48,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(C)C)CC(=O)N)Cc1ccc(O)cc1)C(CC)C,
,,3MGT,,,,,,,
,,,LYS LEU TYR GLN ASN PRO THR THR TYR ILE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,LYS LEU TYR GLN ASN PRO THR THR TYR ILE:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,LYS LEU TYR GLN ASN PRO THR THR TYR ILE:I:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,,LYS LEU TYR GLN ASN PRO THR THR TYR ILE:L:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)Cc1ccc(O)cc1)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)Cc2ccc(O)cc2)CCC(=O)N)CC(=O)N)CCC1)C(O)C,
,,6OPD,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU ASN ALA MET ILE VAL LYS ILE:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CC(=O)N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCCC[NH3+])C(C)C)C(CC)C)C,
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,3FQX,,,,,,,
,,,ARG VAL ALA SEP PRO THR SER GLY VAL:C:1,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(C)C)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])C(C)C)CO)C(O)C)CCC1)([O-])[O-],
,,,CD:A:276,invalid,,,,,[Cd+2],
,,,CD:A:277,invalid,,,,,[Cd+2],
,,,CD:A:278,invalid,,,,,[Cd+2],
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:B:99,invalid,,,,,[Cd+2],
,,,GOL:A:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,MG:A:280,Part of Protein,,,,,[Mg+2],
,,,MG:B:100,Part of Protein,,,,,[Mg+2],
,,1S9Y,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN SER:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CO)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AV7,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:719,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:710,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,1S8D,,,,,,,
,,,SER LEU ALA ASN THR VAL ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)C)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,4F7M,,,,,,,
,,,LEU TYR ALA SER PRO GLN LEU GLU GLY PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc2ccc(O)cc2)C)CO)CCC1)CCC(=O)N)CC(C)C)CCC(=O)[O-])Cc1ccccc1,
,,,LEU TYR ALA SER PRO GLN LEU GLU GLY PHE:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc2ccc(O)cc2)C)CO)CCC1)CCC(=O)N)CC(C)C)CCC(=O)[O-])Cc1ccccc1,
,,6J1W,,,,,,,
,,,ALA ILE PHE GLN SER SER MET THR LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,3OX8,,,,,,,
,,,PHE LEU PRO SER ASP PHE PHE PRO SER VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)CC(C)C)CCC2)CO)CC(=O)[O-])Cc2ccccc2)Cc2ccccc2)CCC1)CO)C(C)C,
,,,PHE LEU PRO SER ASP PHE PHE PRO SER VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)CC(C)C)CCC2)CO)CC(=O)[O-])Cc2ccccc2)Cc2ccccc2)CCC1)CO)C(C)C,
,,3GSX,,,,,,,
,,,ASN LEU VAL PRO MET VAL ALA VAL VAL:P:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(C)C)C)C(C)C)C,
,,1T1X,,,,,,,
,,,SER LEU TYR LEU THR VAL ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,1DUY,,,,,,,
,,,LEU PHE GLY TYR PRO VAL TYR VAL:C:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU PHE GLY TYR PRO VAL TYR VAL:F:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,1S9X,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN ALA:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X4P,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1102,invalid,,,,,C(C(CO)O)O,
,,,MES:B:1101,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1102,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1276,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1278,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MSE ILE LEU GLY PRV VAL PHE PRQ VAL:C:1,valid,,,,,[Se](CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)[O-])C(C)C)c1c([N+](=O)[O-])cccc1)Cc1ccccc1)C(C)C)c1c([N+](=O)[O-])cccc1)CC(C)C)C(CC)C)C,
,,,MSE ILE LEU GLY PRV VAL PHE PRQ VAL:F:1,valid,,,,,[Se](CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)[O-])C(C)C)c1c([N+](=O)[O-])cccc1)Cc1ccccc1)C(C)C)c1c([N+](=O)[O-])cccc1)CC(C)C)C(CC)C)C,
,,3FT4,,,,,,,
,,,VAL LEU ARG ASP ASP LEU LEU GLU ALA:P:1,valid,ic50,=,1171,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(C)C)CCCNC(=[NH2+])N)CC(=O)[O-])CC(=O)[O-])CC(C)C)CC(C)C)CCC(=O)[O-])C,
,,1HHI,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:F:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,1JHT,,,,,,,
,,,ALA LEU GLY ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,2X4U,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1102,invalid,,,,,C(C(CO)O)O,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,,MES:A:1277,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1276,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1277,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1100,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6VR1,,,,,,,
,,,HIS MET THR GLU VAL VAL ARG ARG CYS:Q:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(C)C)C(C)C)CCC(=O)[O-])C(O)C)C,
,,,HIS MET THR GLU VAL VAL ARG ARG CYS:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(C)C)C(C)C)CCC(=O)[O-])C(O)C)C,
,,4NQV,,,,,,,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:M:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:R:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:O:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:P:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:N:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,,CYS THR GLU LEU LYS LEU SER ASP TYR:Q:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CO)CC(C)C)CCCC[NH3+])CC(C)C)CCC(=O)[O-])C(O)C,
,,5HHQ,,,,,,,
,,,GLY ILE TRP GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)Cc1c2c([nH]c1)cccc2)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C)CC(C)C,
,,1T21,,,,,,,
,,,SER LEU TYR ASN THR VAL ALA THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)Cc1ccc(O)cc1)CC(=O)N)C(O)C)C(C)C)C)C(O)C)CC(C)C,
,,3BO8,,,,,,,
,,,GLU ALA ASP PRO THR GLY HIS SER TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CC(=O)[O-])CCC1)C(O)C)Cc1nc[nH]c1)CO)Cc1ccc(O)cc1,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,6TRN,,,,,,,
,,,ALA VAL TYR ASP GLY ARG GLU HIS THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(C)C)Cc1ccc(O)cc1)CC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-])Cc1nc[nH]c1)C(O)C)C(C)C,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,2AV1,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:921,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:923,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:922,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:916,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,SCN:B:801,invalid,,,,,C(#N)[S-],
,,3GSR,,,,,,,
,,,ASN LEU VAL PRO VAL VAL ALA THR VAL:P:1,valid,Kd,=,60.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)CCC1)C(C)C)C(C)C)C)C(O)C)C(C)C,
,,1QEW,,,,,,,
,,,PHE LEU TRP GLY PRO ARG ALA LEU VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CC(C)C)Cc2c3c([nH]c2)cccc3)CCC1)CCCNC(=[NH2+])N)C)CC(C)C)C(C)C,
,,1HSB,,,,,,,
,,,ALA ARG:A:1001,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCNC(=[NH2+])N,
,,,ALA VAL ALA:C:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C([NH3+])C)C(C)C,
,,2HN7,,,,,,,
,,,ALA ILE MET PRO ALA ARG PHE TYR PRO LYS:C:1,valid,ic50,=,31,nM,S(CCC(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCC2)Cc2ccc(O)cc2)Cc2ccccc2)CCCNC(=[NH2+])N)C)CCC1)C,
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FQR,,,,,,,
,,,CD:A:278,invalid,,,,,[Cd+2],
,,,CD:A:279,invalid,,,,,[Cd+2],
,,,CD:A:280,invalid,,,,,[Cd+2],
,,,CD:A:281,invalid,,,,,[Cd+2],
,,,CD:B:102,invalid,,,,,[Cd+2],
,,,CD:C:11,invalid,,,,,[Cd+2],
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:99,invalid,,,,,C(C(CO)O)O,
,,,MG:A:277,Part of Protein,,,,,[Mg+2],
,,,MG:B:101,Part of Protein,,,,,[Mg+2],
,,,TYR LEU ASP SEP GLY ILE HIS SER GLY ALA:C:1,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CC(C)C)CC(=O)[O-])C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])C)CO)Cc1nc[nH]c1)C(CC)C)([O-])[O-],
,,5GRG,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,SER SER CYS SER SER CYS:C:1,valid,,,,,O=C(NC(C(=O)NC1C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C=O)CSSC1)CO)C([NH3+])CO,
,,,PRO LEU SER LYS:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(C)C)CO)CCCC[NH3+],
,Family. Representative Entry is ,2YIP,,,,,,,
,,,CL:A:1136,invalid,,,,,[Cl-],
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,CL:A:1138,invalid,,,,,[Cl-],
,,,CL:A:1139,invalid,,,,,[Cl-],
,,,CL:B:1137,invalid,,,,,[Cl-],
,,,CL:C:1138,invalid,,,,,[Cl-],
,,,CL:C:1139,invalid,,,,,[Cl-],
,,,CL:D:1136,invalid,,,,,[Cl-],
,,,CL:D:1137,invalid,,,,,[Cl-],
,,,CL:F:1137,invalid,,,,,[Cl-],
,,,CL:F:1138,invalid,,,,,[Cl-],
,,,CL:F:1139,invalid,,,,,[Cl-],
,,,CL:F:1140,invalid,,,,,[Cl-],
,,,GOL:B:1136,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1136,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1137,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1136,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1137,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1138,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1136,invalid,,,,,C(C(CO)O)O,
,,,YIO:A:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:B:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:C:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:D:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:E:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:F:1135,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,2YIO,,,,,,,
,,,CL:A:1133,invalid,,,,,[Cl-],
,,,CL:A:1134,invalid,,,,,[Cl-],
,,,CL:A:1135,invalid,,,,,[Cl-],
,,,CL:A:1136,invalid,,,,,[Cl-],
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,CL:B:1133,invalid,,,,,[Cl-],
,,,CL:B:1134,invalid,,,,,[Cl-],
,,,CL:B:1135,invalid,,,,,[Cl-],
,,,CL:B:1136,invalid,,,,,[Cl-],
,,,GOL:A:1140,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1137,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1138,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1139,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YIO:A:1141,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,,,YIO:B:1138,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O,
,Family. Representative Entry is ,5WL1,,,,,,,
,,,CUY:A:401,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,
,,,NA:B:102,Part of Protein,,,,,[Na+],
,,,NA:A:420,Part of Protein,,,,,[Na+],
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,CL:A:419,invalid,,,,,[Cl-],
,,,NAG FUC NAG FUC BMA MAN MAN:E:1,invalid,,,,,,
,,,D3D:A:423,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCCCC,
,,,NAG FUC NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN:D:1,invalid,,,,,,
,,5WKE,,,,,,,
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,CL:A:418,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:A:419,invalid,,,,,[Cl-],
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:A:417,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,P50:A:420,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@H](C=O)N)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,CUY:A:401,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,NAG FUC NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,1GZQ,,,,,,,
,,,D12:A:1284,invalid,,,,,CCCCCCCCCCCC,
,,,NO3:A:1281,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1282,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1283,invalid,,,,,[N+](=O)([O-])[O-],
,,,PII:A:1280,valid,,,,,CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O,
,,,TWT:A:1285,invalid,,,,,CCCCCCCCCCCCCCCCCCCCCC,
,,6D64,,,,,,,
,,,CUY:A:418,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,
,,,IOD:A:428,invalid,,,,,[I-],
,,,IOD:A:429,invalid,,,,,[I-],
,,,CL:A:421,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:419,invalid,,,,,[Cl-],
,,,CL:A:423,invalid,,,,,[Cl-],
,,,CL:A:424,invalid,,,,,[Cl-],
,,,CL:A:422,invalid,,,,,[Cl-],
,,,CL:A:420,invalid,,,,,[Cl-],
,,,NA:A:427,invalid,,,,,[Na+],
,,,NAG MAN NAG BMA MAN:E:1,invalid,,,,,,
,,,POV:A:417,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,NAG FUC NAG FUC:D:1,invalid,,,,,,
,,,NAG FUC NAG FUC BMA MAN MAN:C:1,invalid,,,,,,
,,5L2J,,,,,,,
,,,6UL:A:401,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,NAG FUC NAG FUC BMA MAN MAN:C:1,invalid,,,,,,
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,70E:A:414,valid,,,,,CCCCCCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:B:201,invalid,,,,,[Na+],
,,5WKG,,,,,,,
,,,CL:A:414,invalid,,,,,[Cl-],
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CUY:A:412,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NAG FUC NAG FUC BMA MAN MAN:C:1,invalid,,,,,,
,,,IOD:B:203,invalid,,,,,[I-],
,,,IOD:A:419,invalid,,,,,[I-],
,,,IOD:A:418,invalid,,,,,[I-],
,,,PEG:A:413,invalid,,,,,C(COCCO)O,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,D21:A:411,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,2H26,,,,,,,
,,,6PL:A:311,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,6UL:A:312,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNK UNK UNK UNK UNK:A:901,invalid,,,,,,
,Family. Representative Entry is ,3HNT,,,,,,,
,,,AXR BXY BXY BXX:A:1,valid,,,,,O=CC1C(OC2C(OC3C(O)C(O)C(CO)O3)C(O)C(C=O)O2)C(O)C(OCC2C(O)C(O)C(OC)O2)O1,
,,3HNV,,,,,,,
,,,AXR BXY BXY BXX:A:1,valid,,,,,O=CC1C(OC2C(OC3C(O)C(O)C(CO)O3)C(O)C(C=O)O2)C(O)C(OCC2C(O)C(O)C(OC)O2)O1,
,,3HNS,,,,,,,
,,,AXR BXY BXY BXY BXX BXX:A:1,valid,,,,,O=CC1C(O)C(OC2C(O)C(O)C(CO)O2)C(OCC2C(OC3C(OC4C(O)C(O)C(CO)O4)C(O)C(C=O)O3)C(O)C(OCC3C(O)C(O)C(OC)O3)O2)O1,
,Family. Representative Entry is ,6N16,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:E:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:G:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:I:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:F:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,5EIV,,,,,,,
,,,CL:I:101,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:F:102,invalid,,,,,CC(=O)[O-],
,,,NA:B:205,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,HYP GLY PRO HYP GLY PRO HYP:K:-5,valid,,,,,,
,,,HYP GLY PRO HYP GLY PRO HYP:I:-5,valid,,,,,,
,,,HYP GLY PRO HYP GLY PRO HYP:J:-3,valid,,,,,,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6MQR,,,,,,,
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:L:302,Part of Protein,,,,,[Ca+2],
,,,ALA VAL GLY ILE GLY ALA VAL PHE:A:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,2RFX,,,,,,,
,,,GOL:A:3731,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3732,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3731,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3732,invalid,,,,,C(C(CO)O)O,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,Family. Representative Entry is ,3FJG,,,,,,,
,,,3PG:A:301,valid,Kd,=,187,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:301,valid,Kd,=,187,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:C:301,valid,Kd,=,187,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:D:301,valid,Kd,=,187,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,3FIR,,,,,,,
,,,B6D NGZ:C:1,valid,,,,,,
,,,B6D NGZ:D:1,valid,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,3FJ7,,,,,,,
,,,PEQ:A:301,valid,,,,,C[C@@H](C(=O)O)OP(=O)(O)O,
,,,PEQ:B:301,valid,,,,,C[C@@H](C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1CFV,,,,,,,
,,,E3G:H:200,valid,Ka,~,100000000,M^-1,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,
,,,ZN:L:200,Part of Protein,,,,,[Zn+2],
,,,ZN:L:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:202,Part of Protein,,,,,[Zn+2],
,,2BFV,,,,,,,
,,,STG:H:200,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,
,,1BFV,,,,,,,
,,,STG:H:200,valid,Ka,~,10000000,M^-1,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O,
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:200,Part of Protein,,,,,[Zn+2],
,,,ZN:L:201,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3VJ6,,,,,,,
,,,ALA MET ALA PRO ARG THR LEU LEU LEU:P:1,valid,Kd,=,17,uM,S(CCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,NI:A:278,Part of Protein,,,,,[Ni+2],
,,,NI:A:279,Part of Protein,,,,,[Ni+2],
,,,NI:B:100,Part of Protein,,,,,[Ni+2],
,,,NI:B:101,Part of Protein,,,,,[Ni+2],
,,5VCL,,,,,,,
,,,ALA MET ALA PRO ARG THR LEU LEU LEU:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:308,invalid,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3IET,,,,,,,
,,,GLY THR LYS PRO PRO LEU GLU GLU LEU A2G:Q:212,valid,Kd,=,0.14,uM,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C=O)CC(C)C)CCC2)CCC1)CCCC[NH3+])C(NC(=O)C[NH3+])C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C,
,,,GLY THR LYS PRO PRO LEU GLU GLU LEU A2G:X:1,valid,Kd,=,0.14,uM,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C=O)CC(C)C)CCC2)CCC1)CCCC[NH3+])C(NC(=O)C[NH3+])C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C,
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,ZN:B:216,Part of Protein,,,,,[Zn+2],
,,,ZN:C:218,Part of Protein,,,,,[Zn+2],
,,,ZN:D:214,Part of Protein,,,,,[Zn+2],
,,3IF1,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:C:1,Part of Protein,,,,,[Mg+2],
,,,MG:C:213,Part of Protein,,,,,[Mg+2],
,,,MG:C:214,Part of Protein,,,,,[Mg+2],
,,,NGA:B:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:213,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:213,Part of Protein,,,,,[Zn+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,ZN:A:222,Part of Protein,,,,,[Zn+2],
,,,ZN:C:218,Part of Protein,,,,,[Zn+2],
,,,ZN:D:221,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2CJU,,,,,,,
,,,PHX:H:1114,valid,,,,,c1ccc(cc1)C2=NC(=CNCCCC(=O)O)C(=O)O2,
,Family. Representative Entry is ,6ULN,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GLY ALA ASP GLY VAL GLY LYS SER ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C)CC(=O)[O-])C(C)C)CCCC[NH3+])CO)C,
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,invalid,,,,,[Mg+2],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1NC4,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,DOF:B:500,valid,,,,,c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-],
,,,DOF:D:501,valid,,,,,c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)[N+](=O)[O-],
,,,GD3:B:502,invalid,,,,,[Gd+3],
,,,GD3:D:503,invalid,,,,,[Gd+3],
,,,NAG:D:400,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1LEK,,,,,,,
,,,GLU GLN TYR LYS PHE TYR SER VAL:P:1,valid,Kd,=,1.3,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])Cc1ccccc1)Cc1ccc(O)cc1)CO)C(C)C,
,,,NAG:A:900,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,PO4:B:990,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1WBZ,,,,,,,
,,,SER SER TYR ARG ARG PRO VAL GLY ILE:P:1,valid,,,,,O=C(NCC(=O)NC(C=O)C(CC)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)Cc2ccc(O)cc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC1)C(C)C,
,,,SER SER TYR ARG ARG PRO VAL GLY ILE:Q:1,valid,,,,,O=C(NCC(=O)NC(C=O)C(CC)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)Cc2ccc(O)cc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC1)C(C)C,
,,1VAD,,,,,,,
,,,SER ARG ASP HIS SER ARG THR PRO MET:P:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)CC(=O)[O-])Cc2nc[nH]c2)CO)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)[O-])C,
,,1FZM,,,,,,,
,,,ARG GLY TYR VAL TYR GLN GLY LEU:P:1,valid,Kd,=,20,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:701,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:C:1,Part of Protein,,,,,,
,,,PO4:A:801,Part of Protein,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:802,Part of Protein,,,,,[O-]P(=O)([O-])[O-],
,,4PV8,,,,,,,
,,,ACT:D:101,invalid,,,,,CC(=O)[O-],
,,,ARG ABA PHE ILE PHE ALA ASN ILE:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC)Cc1ccccc1)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,ARG ABA PHE ILE PHE ALA ASN ILE:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC)Cc1ccccc1)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,PG4:C:301,invalid,,,,,C(COCCOCCOCCO)O,
,,2ZSV,,,,,,,
,,,ARG ABA GLN ILE PHE ALA ASN ILE:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCN)CC)CCC(=O)N)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,ARG ABA GLN ILE PHE ALA ASN ILE:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCN)CC)CCC(=O)N)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,GOL:A:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:100,invalid,,,,,C(C(CO)O)O,
,,2CLZ,,,,,,,
,,,ILE ASN PHE ASP PHE ASN THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)N)Cc1ccccc1)CC(=O)[O-])Cc1ccccc1)CC(=O)N)C(O)C)C(CC)C,
,,,ILE ASN PHE ASP PHE ASN THR ILE:M:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)N)Cc1ccccc1)CC(=O)[O-])Cc1ccccc1)CC(=O)N)C(O)C)C(CC)C,
,,1RK1,,,,,,,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUL:C:1,Part of Protein,,,,,,
,,,SER GLU ILE GLU PHE ALA ARG LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)[O-])C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,3PAB,,,,,,,
,,,GLU ILE ILE ASN PHE GLU LYS LEU:C:1,valid,Kd,=,20,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(CC)C)C(CC)C)CC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,,GLU ILE ILE ASN PHE GLU LYS LEU:F:1,valid,Kd,=,20,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(CC)C)C(CC)C)CC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,7JI2,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,SER ILE ILE GLN PHE GLU HIS LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)CCC(=O)N)Cc1ccccc1)CCC(=O)[O-])Cc1nc[nH]c1)CC(C)C,
,,,SER ILE ILE GLN PHE GLU HIS LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)CCC(=O)N)Cc1ccccc1)CCC(=O)[O-])Cc1nc[nH]c1)CC(C)C,
,,1G7Q,,,,,,,
,,,NAG:A:900,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,SER ALA PRO ASP THR ARG PRO ALA:P:1,valid,Kd,=,877,nM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CO)C)CCC2)CC(=O)[O-])C(O)C)CCCNC(=[NH2+])N)CCC1)C,
,,1FZO,,,,,,,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:701,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUL:C:1,Part of Protein,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO ALA LEU:P:1,valid,Kd,=,13,nM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)CC(C)C,
,,,PO4:B:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4HS3,,,,,,,
,,,MPD:B:101,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ALA VAL TYR ASN PHE ALA THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C(=O)[O-])C,
,,4PV9,,,,,,,
,,,ARG ABA VAL ILE PHE ALA ASN ILE:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC)C(C)C)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,ARG ABA VAL ILE PHE ALA ASN ILE:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC)C(C)C)C(CC)C)Cc1ccccc1)C)CC(=O)N)C(CC)C,
,,,ACT:D:101,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,4PG9,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,PHE ALA PRO GLY ASN TYR PRO ALA LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)CC(C)C,
,,1NAN,,,,,,,
,,,ILE ASN PHE ASP PHE ASN THR ILE:M:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)N)Cc1ccccc1)CC(=O)[O-])Cc1ccccc1)CC(=O)N)C(O)C)C(CC)C,
,,,ILE ASN PHE ASP PHE ASN THR ILE:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)N)Cc1ccccc1)CC(=O)[O-])Cc1ccccc1)CC(=O)N)C(O)C)C(CC)C,
,,2VAA,,,,,,,
,,,ARG GLY TYR VAL TYR GLN GLY LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,2VAB,,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO ALA LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)CC(C)C,
,,2CLV,,,,,,,
,,,SER GLN TYR TYR TYR ASN SER LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)CO)CC(C)C,
,,,SER GLN TYR TYR TYR ASN SER LEU:M:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)CO)CC(C)C,
,,1KJ3,,,,,,,
,,,LYS VAL ILE THR PHE ILE ASP LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C)C(CC)C)C(O)C)Cc1ccccc1)C(CC)C)CC(=O)[O-])CC(C)C,
,,,LYS VAL ILE THR PHE ILE ASP LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C)C(CC)C)C(O)C)Cc1ccccc1)C(CC)C)CC(=O)[O-])CC(C)C,
,,1RJY,,,,,,,
,,,SER SER ILE GLU PHE ALA ARG LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,,SER SER ILE GLU PHE ALA ARG LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,1FZJ,,,,,,,
,,,ARG GLY TYR VAL TYR GLN GLY LEU:P:1,valid,Kd,=,8,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:C:1,Part of Protein,,,,,,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1G7P,,,,,,,
,,,NAG:A:900,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,SER ARG ASP HIS SER ARG THR PRO MET:P:1,valid,Kd,=,90,nM,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)CC(=O)[O-])Cc2nc[nH]c2)CO)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)[O-])C,
,,1KPU,,,,,,,
,,,ARG GLY TYR VAL TYR GLN GLY LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,1T0N,,,,,,,
,,,SER SER ILE GLU PHE ALA ARG LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,,SER SER ILE GLU PHE ALA ARG LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,3P9L,,,,,,,
,,,CA:B:100,invalid,,,,,[Ca+2],
,,,CA:D:279,invalid,,,,,[Ca+2],
,,,CA:E:100,invalid,,,,,[Ca+2],
,,,SER ILE ILE ASN PHE GLU LYS LEU:C:1,valid,Kd,~,5.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)CC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,,SER ILE ILE ASN PHE GLU LYS LEU:F:1,valid,Kd,~,5.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)CC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,1T0M,,,,,,,
,,,SER SER ILE GLU PHE ALA ARG LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,,SER SER ILE GLU PHE ALA ARG LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(CC)C)CCC(=O)[O-])Cc1ccccc1)C)CCCNC(=[NH2+])N)CC(C)C,
,,1FZK,,,,,,,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:701,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:C:1,Part of Protein,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO ALA LEU:P:1,valid,Kd,=,4,nM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)CC(C)C,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KPV,,,,,,,
,,,MPD:A:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO ALA LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)CC(C)C,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OSZ,,,,,,,
,,,ARG GLY TYR LEU TYR GLN GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)CC(C)C)Cc1ccc(O)cc1)CCC(=O)N)CC(C)C,
,,1LK2,,,,,,,
,,,GLY ASN TYR SER PHE TYR ALA LEU:P:1,valid,ic50,=,12,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(=O)N)Cc1ccc(O)cc1)CO)Cc1ccccc1)Cc1ccc(O)cc1)C)CC(C)C,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:401,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:3001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LEG,,,,,,,
,,,GLU GLN TYR LYS PHE TYR SER VAL:P:1,valid,Kd,=,11.1,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])Cc1ccccc1)Cc1ccc(O)cc1)CO)C(C)C,
,,,NAG:A:900,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:990,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KBG,,,,,,,
,,,ARG GLY TYR VAL TYR ESC GLY LEU GAL GLA:P:1,valid,,,,,S(CCOC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C(=O)[O-])CC(C)C,
,,,NAG:H:1001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:A:1,Part of Protein,,,,,,
,,4PGE,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:101,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PHE ALA PRO GLY ASN TYR PRO ALA TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)Cc2ccc(O)cc2)CCC1)C)Cc1c2c([nH]c1)cccc2,
,,6GB6,,,,,,,
,,,GLY LEU:A:302,valid,,,,,O=C([O-])C(NC(=O)CN)CC(C)C,
,,,GLY LEU:D:303,valid,,,,,O=C([O-])C(NC(=O)CN)CC(C)C,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,3P9M,,,,,,,
,,,SER ILE ILE GLY PHE GLU LYS LEU:C:1,valid,Kd,=,10,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,,SER ILE ILE GLY PHE GLU LYS LEU:F:1,valid,Kd,=,10,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,,1VAC,,,,,,,
,,,SER ILE ILE ASN PHE GLU LYS LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)C(CC)C)CC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CC(C)C,
,Family. Representative Entry is ,3PHQ,,,,,,,
,,,KDO:B:218,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,Family. Representative Entry is ,3GJF,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:C:1,valid,Kd,=,46,nM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:F:1,valid,Kd,=,46,nM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,Family. Representative Entry is ,2HRP,,,,,,,
,,,MET SER LEU PRO GLY ARG TRP LYS PRO LYS:P:36,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])C)CCC2)CCCC[NH3+])Cc2c3c([nH]c2)cccc3)CCCNC(=[NH2+])N)CCC1)CC(C)C)CO)C,
,,,MET SER LEU PRO GLY ARG TRP LYS PRO LYS:Q:36,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])C)CCC2)CCCC[NH3+])Cc2c3c([nH]c2)cccc3)CCCNC(=[NH2+])N)CCC1)CC(C)C)CO)C,
,Family. Representative Entry is ,1WZ1,,,,,,,
,,,DNS:H:200,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2BNQ,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:C:1,valid,Kd,=,5,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,2F53,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:805,invalid,,,,,C(C(CO)O)O,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,2P5E,,,,,,,
,,,EPE:E:806,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:908,invalid,,,,,C(C(CO)O)O,
,,,IPA:C:909,invalid,,,,,CC(C)O,
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BNR,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,Kd,=,13.3,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,2PYE,,,,,,,
,,,7PE:A:504,valid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:611,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:501,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:503,invalid,,,,,C(COCCOCCO)O,
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2P5W,,,,,,,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,EPE:E:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1002,invalid,,,,,C(C(CO)O)O,
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,SER LEU LEU MET TRP ILE THR GLN CYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4HOR,,,,,,,
,,,MG:X:101,Part of Protein,,,,,[Mg+2],
,,,CTP C   C   C   C  :X:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(OP(=O)(OCC4C(OP(=O)([O-])[O-])C(O)C(N5C(=O)N=C(N)C=C5)O4)[O-])C(O)C(N4C(=O)N=C(N)C=C4)O3)[O-])C(O)C(N3C(=O)N=C(N)C=C3)O2)[O-])C(O)C(N2C(=O)NC(=N)C=C2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,4HOT,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ATP A   A   A  :X:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)C(O)C(n5c6ncnc(N)c6nc5)O4)[O-])C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,4HOS,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,UTP U   U   U  :X:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(OP(=O)([O-])[O-])C(O)C(N4C(=O)NC(=O)C=C4)O3)[O-])C(O)C(N3C(=O)NC(=O)C=C3)O2)[O-])C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,Family. Representative Entry is ,4WO4,,,,,,,
,,,NAG NAG FUC:G:1,invalid,,,,,,
,,,NAG NAG FUC BMA:E:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,JLS:A:310,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC/C=CCCCCCCCC)O)O,
,Family. Representative Entry is ,4NP3,,,,,,,
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,2L2:A:201,valid,Kd,=,0.5,mM,Cc1c([nH]cn1)CN2CCc3cccc(c3C2)N,
,,,MES:A:203,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4MRE,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,2C9:A:202,valid,Kd,=,6.4,mM,Cc1cccc(c1N)N,
,,4MRG,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,24W:A:201,valid,Kd,=,1.1,mM,c1cc2c(c(c1)N)CCNC2,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,4MRF,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,2CK:A:203,valid,Kd,=,11.2,mM,c1ccc2c(c1)CCNC2,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NP2,,,,,,,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,2L1:A:201,valid,Kd,=,5.5,mM,Cc1c([nH]cn1)CN2CCc3ccccc3C2,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2JCQ,,,,,,,
,,,GOL:A:1174,invalid,,,,,C(C(CO)O)O,
,,,NAG BDP NAG BDP NAG BDP NAG:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(C(=O)[O-])O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(CO)OC(O)C4NC(=O)C)OC3C(=O)[O-])C2NC(=O)C)OC1C(=O)[O-])C,
,,2JCR,,,,,,,
,,,GOL:A:1174,invalid,,,,,C(C(CO)O)O,
,,,NAG BDP NAG BDP NAG BDP NAG:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(C(=O)[O-])O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(CO)OC(O)C4NC(=O)C)OC3C(=O)[O-])C2NC(=O)C)OC1C(=O)[O-])C,
,,4MRH,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,2CQ:A:201,valid,Kd,=,12.6,mM,Cc1cc(c(cc1Cl)N)N,
,Family. Representative Entry is ,6N35,,,,,,,
,,,BEZ:L:301,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,MAN:M:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:A:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,GOL:K:401,invalid,,,,,C(C(CO)O)O,
,,6MSY,,,,,,,
,,,UNX:H:301,invalid,,,,,*,
,,,UNX:H:303,invalid,,,,,*,
,,,UNX:H:302,invalid,,,,,*,
,,,UNX:L:301,invalid,,,,,*,
,,,ACT:H:308,invalid,,,,,CC(=O)[O-],
,,,MAN MAN MAN MAN:A:1,valid,,,,,,
,,3OAU,,,,,,,
,,,GOL:L:1,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN:A:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,SO4:H:226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MUB,,,,,,,
,,,BMA MAN MAN MAN MAN:A:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:B:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,6MU3,,,,,,,
,,,BMA MAN MAN MAN:A:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA MAN MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3OAZ,,,,,,,
,,,2M5:H:237,valid,,,,,C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O,
,,,2M5:M:232,valid,,,,,C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)O)O)O)O,
,,,CL:H:232,invalid,,,,,[Cl-],
,,,CL:H:233,invalid,,,,,[Cl-],
,,,CL:H:234,invalid,,,,,[Cl-],
,,,CL:H:235,invalid,,,,,[Cl-],
,,,CL:H:236,invalid,,,,,[Cl-],
,,,CL:K:217,invalid,,,,,[Cl-],
,,,CL:K:218,invalid,,,,,[Cl-],
,,,CL:K:219,invalid,,,,,[Cl-],
,,,CL:K:220,invalid,,,,,[Cl-],
,,,CL:K:222,invalid,,,,,[Cl-],
,,,CL:K:223,invalid,,,,,[Cl-],
,,,CL:L:215,invalid,,,,,[Cl-],
,,,CL:L:216,invalid,,,,,[Cl-],
,,,CL:L:217,invalid,,,,,[Cl-],
,,,CL:L:218,invalid,,,,,[Cl-],
,,,CL:L:219,invalid,,,,,[Cl-],
,,,CL:L:220,invalid,,,,,[Cl-],
,,,CL:L:221,invalid,,,,,[Cl-],
,,,CL:L:222,invalid,,,,,[Cl-],
,,,CL:L:223,invalid,,,,,[Cl-],
,,,CL:L:224,invalid,,,,,[Cl-],
,,,CL:L:225,invalid,,,,,[Cl-],
,,,CL:L:226,invalid,,,,,[Cl-],
,,,CL:L:227,invalid,,,,,[Cl-],
,,,CL:L:228,invalid,,,,,[Cl-],
,,,CL:M:230,invalid,,,,,[Cl-],
,,,CL:M:231,invalid,,,,,[Cl-],
,,,CL:M:233,invalid,,,,,[Cl-],
,,,GOL:H:228,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:229,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:230,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:231,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:215,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:216,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:228,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:229,invalid,,,,,C(C(CO)O)O,
,,4RBP,,,,,,,
,,,GOL:K:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:302,invalid,,,,,C(C(CO)O)O,
,,,KDO MAN MAN MAN MAN MAN:B:1,valid,,,,,O=C([O-])C1(O)OC(C(O)CO)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C1,
,,,KDO MAN MAN MAN MAN MAN:A:1,valid,,,,,O=C([O-])C1(O)OC(C(O)CO)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C1,
,,3OAY,,,,,,,
,,,BDF:H:229,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:M:229,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,MLI:K:214,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:214,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,3PWU,,,,,,,
,,,ILE PRO ALA TYR GLY VAL LEU THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(CC)C)CCC1)C)Cc1ccc(O)cc1)C(C)C)CC(C)C)C(O)C)C(CC)C,
,Family. Representative Entry is ,3E2M,,,,,,,
,,,E2M:A:1,valid,ic50,=,0.4,nM,c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4,
,,,E2M:B:1,valid,ic50,=,0.4,nM,c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4,
,,1XDD,,,,,,,
,,,AAY:A:401,valid,ic50,=,0.2,uM,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C,
,,,AAY:B:501,valid,ic50,=,0.2,uM,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H]3C[C@H](CC(=O)N3Cc4ccc5c(c4)ccc(c5CO)OC)O)C,
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
,,3F78,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,ICF:A:1,valid,,,,,[C@H](C(F)(F)F)(OC(F)F)Cl,
,,,ICF:B:2,valid,,,,,[C@H](C(F)(F)F)(OC(F)F)Cl,
,,,MG:C:1,Part of Protein,,,,,[Mg+2],
,,1XUO,,,,,,,
,,,LA1:A:401,valid,ic50,=,69,nM,CC(C)C[C@H]1C(=O)N(CCC(=O)N1Cc2cc3ccccc3nc2)[C@@H](Cc4ccc5ccccc5c4)C(=O)NC,
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
,,3M6F,,,,,,,
,,,BJZ:A:1,valid,,,,,CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl,
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,1RD4,,,,,,,
,,,L08:A:328,valid,Kd,=,18.3,nM,CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C,
,,,L08:B:1328,valid,Kd,=,18.3,nM,CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C,
,,,L08:C:2328,valid,Kd,=,18.3,nM,CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C,
,,,L08:D:3328,valid,Kd,=,18.3,nM,CCOc1ccccc1Sc2ccc(cc2[N+](=O)[O-])c3ccnc(c3)N4CCN(CC4)C(=O)C,
,,1XDG,,,,,,,
,,,AB8:A:401,valid,ic50,=,0.05,uM,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C,
,,,AB8:B:501,valid,ic50,=,0.05,uM,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@@H](N(C(=O)O3)Cc4ccc(c(c4)OC)O)CC(=O)NC)C,
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
,,2O7N,,,,,,,
,,,2O7:A:1,valid,ic50,=,15,nM,c1cc(ccc1C[C@]23CCCN2C(=O)C(=C3C#N)c4cc(cc(c4)Cl)Cl)C#N,
,,3BQM,,,,,,,
,,,BQM:B:1,valid,Ki,=,2,nM,c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)C=CC(=O)N3CCOCC3)N,
,,,BQM:C:1,valid,Ki,=,2,nM,c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)C=CC(=O)N3CCOCC3)N,
,,2ICA,,,,,,,
,,,2IC:A:1,valid,ic50,=,20,nM,CN1C(=O)N(C(=O)[C@]12C[N@](C[C@H]2c3ccc(cc3)C#N)Cc4cc(cs4)C(=O)O)c5cc(cc(c5)Cl)Cl,
,,3BQN,,,,,,,
,,,BQN:B:1,valid,ic50,=,2.5,nM,c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4,
,,,BQN:C:1,valid,ic50,=,2.5,nM,c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4,
,Family. Representative Entry is ,3RUG,,,,,,,
,,,DB6:A:303,valid,Kd,=,4.4,uM,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O,
,,,DB6:C:303,valid,Kd,=,4.4,uM,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCC/C=C/C/C=C/CCCCC)O)O,
,,,NAG:A:304,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:307,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:304,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:307,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5D6C,,,,,,,
,,,CA:A:301,invalid,,,,,[Ca+2],
,,,CA:H:301,invalid,,,,,[Ca+2],
,,,CA:A:302,invalid,,,,,[Ca+2],
,,,CA:L:301,Part of Protein,,,,,[Ca+2],
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,ACT:L:302,invalid,,,,,CC(=O)[O-],
,,,ACT:H:302,invalid,,,,,CC(=O)[O-],
,,,57S:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O,
,,,57S:L:303,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](COP(=O)(O)O)[C@H]([C@H](CO)O)O)CO)O)O,
,,6DWA,,,,,,,
,,,HD4:H:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,HD4:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,Family. Representative Entry is ,1C9H,,,,,,,
,,,RAP:A:108,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,5HKG,,,,,,,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,RAP:A:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,Family. Representative Entry is ,1WCB,,,,,,,
,,,IOD:B:1227,invalid,,,,,[I-],
,,,IOD:B:1228,invalid,,,,,[I-],
,,,IOD:B:1229,invalid,,,,,[I-],
,,,IOD:B:1230,invalid,,,,,[I-],
,,,IOD:H:1213,invalid,,,,,[I-],
,,,IOD:H:1214,invalid,,,,,[I-],
,,,IOD:H:1215,invalid,,,,,[I-],
,,,IOD:H:1216,invalid,,,,,[I-],
,,,IOD:L:1215,invalid,,,,,[I-],
,,,PE1:A:1215,valid,Kd,=,26,nM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O,
,,,PE1:L:1216,valid,Kd,=,26,nM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O,
,,2BMK,,,,,,,
,,,IOD:B:1215,invalid,,,,,[I-],
,,,IOD:B:1216,invalid,,,,,[I-],
,,,IOD:B:1218,invalid,,,,,[I-],
,,,IOD:H:1215,invalid,,,,,[I-],
,,,IOD:H:1216,invalid,,,,,[I-],
,,,IOD:H:1217,invalid,,,,,[I-],
,,,PDD:B:1217,valid,Kd,=,2.4,uM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,,PDD:L:1215,valid,Kd,=,2.4,uM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,1WC7,,,,,,,
,,,IOD:A:1213,invalid,,,,,[I-],
,,,IOD:B:1214,invalid,,,,,[I-],
,,,IOD:H:1214,invalid,,,,,[I-],
,,,IOD:H:1215,invalid,,,,,[I-],
,,,IOD:L:1213,invalid,,,,,[I-],
,,,PP3:A:1214,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,Family. Representative Entry is ,1QD0,,,,,,,
,,,CU:A:1001,Part of Protein,,,,,[Cu+2],
,,,CU:A:1002,Part of Protein,,,,,[Cu+2],
,,,RR6:A:1003,valid,,,,,c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)/N=N/c7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O,
,Family. Representative Entry is ,5H9P,,,,,,,
,,,TD2:A:301,valid,Kd,=,0.068,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O,
,,4XBN,,,,,,,
,,,NAG GAL:B:1,valid,Kd,=,93,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,5H9R,,,,,,,
,,,TGZ:A:301,valid,Kd,=,0.84,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O,
,Family. Representative Entry is ,6K7T,,,,,,,
,,,ASP PHE ALA ASN THR PHE LEU PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)C)CC(=O)N)C(O)C,
,,6J2E,,,,,,,
,,,ASP PHE GLN GLU SER ALA ASP SER PHE LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)CCC(=O)N)CCC(=O)[O-])CO)C)CC(=O)[O-])CO)Cc1ccccc1)CC(C)C,
,,,ASP PHE GLN GLU SER ALA ASP SER PHE LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)CCC(=O)N)CCC(=O)[O-])CO)C)CC(=O)[O-])CO)Cc1ccccc1)CC(C)C,
,,6J2J,,,,,,,
,,,ASP PHE THR CYS SER GLN ILE SER PRO:F:1,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C([NH3+])CC(=O)[O-].O=C([O-])C1[NH2+]CCC1,
,,,ASP PHE THR CYS SER GLN ILE SER PRO:C:1,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C([NH3+])CC(=O)[O-].O=C([O-])C1[NH2+]CCC1,
,,6J2H,,,,,,,
,,,ASP PHE ALA ASN THR PHE LEU PRO:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)C)CC(=O)N)C(O)C,
,,,ASP PHE ALA ASN THR PHE LEU PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)C)CC(=O)N)C(O)C,
,,6J2I,,,,,,,
,,,ASP PHE GLU LYS GLU GLY TYR SER LEU:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CO)Cc1ccc(O)cc1)CCC(=O)[O-])CCCC[NH3+])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,,,ASP PHE GLU LYS GLU GLY TYR SER LEU:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CO)Cc1ccc(O)cc1)CCC(=O)[O-])CCCC[NH3+])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,Family. Representative Entry is ,3VXM,,,,,,,
,,,CO:E:301,Part of Protein,,,,,[Co+2],
,,,CO:E:302,Part of Protein,,,,,[Co+2],
,,,CO:D:301,Part of Protein,,,,,[Co+2],
,,,ARG PHE PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,Family. Representative Entry is ,7JRA,,,,,,,
,,,VGY:B:301,valid,ic50,=,17,nM,C[C@H](c1ccccc1F)Nc2c3cc(ccc3ncc2Cl)c4cnc(nc4)C(C)(C)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,2AZ5,,,,,,,
,,,307:A:1,valid,ic50,=,22,uM,Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F,
,,,307:C:2,valid,ic50,=,22,uM,Cc1cc2c(cc1C)OC=C(C2=O)CN(C)CCN(C)Cc3cn(c4c3cccc4)c5cccc(c5)C(F)(F)F,
,,6OOY,,,,,,,
,,,A7M:C:201,valid,Kd,=,22,uM,Cc1ccc(c(c1)Cn2c3ccccc3nc2CO)C,
,,,MRD:A:201,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2PSM,,,,,,,
,,,BAM:B:115,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,Family. Representative Entry is ,1MH5,,,,,,,
,,,HAL:B:601,valid,Kd,=,0.61,nM,c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O,
,,,HAL:H:602,valid,Kd,=,0.61,nM,c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O,
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MJ7,,,,,,,
,,,HAL:H:301,valid,Kd,=,4.5,nM,c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O,
,Family. Representative Entry is ,6IWG,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:109,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:B:108,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:107,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,BO3:B:110,invalid,,,,,B(O)(O)O,
,,,BO3:A:314,invalid,,,,,B(O)(O)O,
,,,BO3:B:111,invalid,,,,,B(O)(O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,MYR GLY GLY ALA ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C)C(CC)C,
,,6LT6,,,,,,,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EKG:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:B:106,Part of Protein,,,,,[Na+],
,,6IWH,,,,,,,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:109,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:B:108,invalid,,,,,C(CO)O,
,,,EDO:B:107,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:B:102,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,MYR GLY GLY GLY ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(CC)C,
,Family. Representative Entry is ,5JZI,,,,,,,
,,,LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)C)CC(C)C)C(CC)C)CC(=O)N)C)C(C)C,
,,,LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)C)CC(C)C)C(CC)C)CC(=O)N)C)C(C)C,
,Family. Representative Entry is ,1OGA,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,5HHM,,,,,,,
,,,GLY ILE LEU GLY LEU VAL PHE THR LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)CC(C)C)C(C)C)Cc1ccccc1)C(O)C)CC(C)C,
,,,GLY ILE LEU GLY LEU VAL PHE THR LEU:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)CC(C)C)C(C)C)Cc1ccccc1)C(O)C)CC(C)C,
,,2VLK,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,2VLJ,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,2VLR,,,,,,,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:H:1,valid,,,,,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,Family. Representative Entry is ,1MFA,,,,,,,
,,,MMA GLA ABE:A:1,valid,Kd,=,9.1,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,3I9G,,,,,,,
,,,CA:L:301,Part of Protein,,,,,[Ca+2],
,,,CA:L:302,Part of Protein,,,,,[Ca+2],
,,,MG:L:303,invalid,,,,,[Mg+2],
,,,MG:L:304,invalid,,,,,[Mg+2],
,,,MG:L:305,invalid,,,,,[Mg+2],
,,,MG:L:306,invalid,,,,,[Mg+2],
,,,MG:L:307,invalid,,,,,[Mg+2],
,,,S1P:L:401,valid,Kd,=,1.1,nM,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O,
,Family. Representative Entry is ,5FKP,,,,,,,
,,,NAG:A:1286,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1280,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:1290,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1288,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1289,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC BMA MAN:D:1,invalid,,,,,,
,,,TAR:B:1101,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,6UL:A:1287,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,1B09,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:E:301,Part of Protein,,,,,[Ca+2],
,,,CA:E:302,Part of Protein,,,,,[Ca+2],
,,,PC:A:500,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:500,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:C:500,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:D:500,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:E:500,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,Family. Representative Entry is ,1F4X,,,,,,,
,,,MGS:H:301,valid,Kd,=,2.6,uM,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC)OC)O)NC(=O)[C@@H](CCO)O,
,Family. Representative Entry is ,3T5M,,,,,,,
,,,AMP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,3U1B,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3TYX,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1GAF,,,,,,,
,,,NPE:H:218,valid,Kd,=,10,nM,c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-],
,,1AJ7,,,,,,,
,,,NPE:H:217,valid,Kd,=,135,uM,c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCCC(=O)O)[O-],
,Family. Representative Entry is ,2ZPK,,,,,,,
,,,GOL:H:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:211,invalid,,,,,C(C(CO)O)O,
,,,PRO ARG GLY TYR PRO GLY GLN VAL:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,,,PRO ARG GLY TYR PRO GLY GLN VAL:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,Family. Representative Entry is ,6ITQ,,,,,,,
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HCY:B:201,valid,Kd,=,20.5,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:D:201,valid,Kd,=,20.5,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:A:201,valid,Kd,=,20.5,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:C:201,valid,Kd,=,20.5,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,6ITP,,,,,,,
,,,HCY:B:201,valid,Kd,=,22.4,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:A:201,valid,Kd,=,22.4,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,Family. Representative Entry is ,4ZFZ,,,,,,,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:H:105,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:J:304,invalid,,,,,C(CO)O,
,,,EDO:J:313,invalid,,,,,C(CO)O,
,,,EDO:E:109,invalid,,,,,C(CO)O,
,,,EDO:K:104,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:H:102,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:H:103,invalid,,,,,C(CO)O,
,,,EDO:K:106,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:G:307,invalid,,,,,C(CO)O,
,,,EDO:E:107,invalid,,,,,C(CO)O,
,,,EDO:G:309,invalid,,,,,C(CO)O,
,,,EDO:G:313,invalid,,,,,C(CO)O,
,,,EDO:G:308,invalid,,,,,C(CO)O,
,,,EDO:J:309,invalid,,,,,C(CO)O,
,,,EDO:J:314,invalid,,,,,C(CO)O,
,,,EDO:G:303,invalid,,,,,C(CO)O,
,,,EDO:J:308,invalid,,,,,C(CO)O,
,,,EDO:B:108,invalid,,,,,C(CO)O,
,,,EDO:J:305,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:G:304,invalid,,,,,C(CO)O,
,,,EDO:K:107,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:G:312,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:G:311,invalid,,,,,C(CO)O,
,,,EDO:K:103,invalid,,,,,C(CO)O,
,,,EDO:B:109,invalid,,,,,C(CO)O,
,,,EDO:J:311,invalid,,,,,C(CO)O,
,,,EDO:E:106,invalid,,,,,C(CO)O,
,,,EDO:D:311,invalid,,,,,C(CO)O,
,,,EDO:J:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:G:310,invalid,,,,,C(CO)O,
,,,EDO:H:104,invalid,,,,,C(CO)O,
,,,EDO:B:107,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,EDO:E:103,invalid,,,,,C(CO)O,
,,,EDO:J:307,invalid,,,,,C(CO)O,
,,,EDO:K:105,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:G:305,invalid,,,,,C(CO)O,
,,,EDO:G:306,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:J:306,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:E:105,invalid,,,,,C(CO)O,
,,,EDO:J:312,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:H:106,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:E:108,invalid,,,,,C(CO)O,
,,,EDO:E:104,invalid,,,,,C(CO)O,
,,,EDO:K:108,invalid,,,,,C(CO)O,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:J:315,invalid,,,,,[Cl-],
,,,CL:G:314,invalid,,,,,[Cl-],
,,,TRS:D:312,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:314,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:J:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:K:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:E:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:G:302,Part of Protein,,,,,[Zn+2],
,,,ZN:J:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:K:102,Part of Protein,,,,,[Zn+2],
,,,ZN:H:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,GLY GLY ALA ILE SER MYR:L:2,valid,Kd,=,2.5,uM,,
,,,MYR GLY GLY ALA ILE SER:C:101,valid,Kd,=,2.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C)C(CC)C)CO,
,,,MYR GLY GLY ALA ILE SER:F:101,valid,Kd,=,2.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C)C(CC)C)CO,
,,,MYR GLY GLY ALA ILE SER:I:101,valid,Kd,=,2.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C)C(CC)C)CO,
,,6LAH,,,,,,,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:D:104,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:C:313,invalid,,,,,C(CO)O,
,,,EDO:C:314,invalid,,,,,C(CO)O,
,,,EDO:C:315,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:C:319,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:C:320,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,EDO:C:311,invalid,,,,,C(CO)O,
,,,EDO:C:316,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:317,invalid,,,,,C(CO)O,
,,,EDO:C:318,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:C:312,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,EKG:A:309,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,EKG:C:321,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,6LAM,,,,,,,
,,,TRS:C:315,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:310,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EDO:D:106,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:D:104,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:C:313,invalid,,,,,C(CO)O,
,,,EDO:C:314,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:D:105,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,EDO:C:311,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:C:312,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EKG:C:316,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,EKG:A:311,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,CL:C:317,invalid,,,,,[Cl-],
,,6LB2,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:D:106,invalid,,,,,C(CO)O,
,,,EDO:D:104,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:C:313,invalid,,,,,C(CO)O,
,,,EDO:C:314,invalid,,,,,C(CO)O,
,,,EDO:C:315,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:319,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:D:105,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,EDO:C:311,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:D:107,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:320,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:C:312,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:321,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,EKG:C:316,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,EKG:A:322,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,1H3T,,,,,,,
,,,BMA:B:1447,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG FUL BMA:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,3CFD,,,,,,,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,SPB:B:302,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,,SPB:H:301,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,Family. Representative Entry is ,2BVE,,,,,,,
,,,PH5:A:1120,valid,ic50,=,215,uM,CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O,
,,,PH5:B:1119,valid,ic50,=,215,uM,CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O,
,,1OD9,,,,,,,
,,,BND:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(C(=O)O)OC)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1URL,,,,,,,
,,,ALA GLY HIS THR TRP GLY HIA SIA:B:2,valid,,,,,O=C(NC(C(=O)NCC(=O)NC(C(=O)N)Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)C(NC(=O)CNC(=O)C[NH3+])C(OC1(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C,
,,1QFO,,,,,,,
,,,SIA:C:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GLC GAL SIA:D:1,invalid,,,,,,
,,,GLC GAL SIA:E:1,invalid,,,,,,
,Family. Representative Entry is ,1TJG,,,,,,,
,,,EDO:H:501,invalid,,,,,C(CO)O,
,,,EDO:L:502,invalid,,,,,C(CO)O,
,,,EDO:L:503,invalid,,,,,C(CO)O,
,,,GLU LEU ASP LYS TRP ALA SER:P:662,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,,IPA:H:401,invalid,,,,,CC(C)O,
,,,IPA:H:405,invalid,,,,,CC(C)O,
,,,IPA:H:406,invalid,,,,,CC(C)O,
,,,IPA:H:407,invalid,,,,,CC(C)O,
,,,IPA:L:402,invalid,,,,,CC(C)O,
,,,IPA:L:403,invalid,,,,,CC(C)O,
,,,IPA:L:404,invalid,,,,,CC(C)O,
,,1U8M,,,,,,,
,,,GLU LEU ASP LYS TYR ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1ccc(O)cc1)C)CO,
,,3IDG,,,,,,,
,,,ALA LEU ASP LYS TRP ASP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CC(=O)[O-],
,,1U93,,,,,,,
,,,GLU GLN ASP LYS TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,1U8H,,,,,,,
,,,ALA LEU ASP LYS TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,1U8Q,,,,,,,
,,,GLU LEU GLU LYS TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,3IDJ,,,,,,,
,,,GLU LEU ASP ORN TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,2F5B,,,,,,,
,,,GLU LEU ASP LYS TRP ALA SER:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,1U92,,,,,,,
,,,GLU ALA ASP LYS TRP GLN SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)N)CO,
,,1U8I,,,,,,,
,,,GLU LEU ASP LYS TRP ALA ASN:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CC(=O)N,
,,1U95,,,,,,,
,,,GLU LEU ASP HIS TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)C)CO,
,,1U8J,,,,,,,
,,,GLU LEU ASP LYS TRP ALA GLY:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])C)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])CC(=O)[O-])CC(C)C)C([NH3+])CCC(=O)[O-],
,,3IDI,,,,,,,
,,,ALA LEU ASP LYS TRP GLN ASN:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CC(=O)[O-],
,,,GOL:B:300,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IDN,,,,,,,
,,,GLU LEU ASP HOX TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])Cc1ccc(N)cc1)Cc1c2c([nH]c1)cccc2)C)CO,
,,1U91,,,,,,,
,,,GLU ASN ASP LYS TRP ALA SER:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)N)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO,
,,3IDM,,,,,,,
,,,GLU LEU ASP NRG TRP ALA SER:C:1,valid,,,,,O=[N+]([O-])N=C(NCCCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CO)C)Cc1c2c([nH]c1)cccc2)N,
,,1U8K,,,,,,,
,,,LEU GLU LEU ASP LYS TRP ALA SER LEU:C:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)C)CO)CC(C)C,
,Family. Representative Entry is ,2C1P,,,,,,,
,,,FNZ:B:1215,valid,,,,,c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F,
,,,FNZ:H:1214,valid,,,,,c1cc(ccc1C[C@H]([C@H](c2ccc(cc2)C#N)n3cncn3)O)F,
,Family. Representative Entry is ,2DYP,,,,,,,
,,,ARG ILE ILE PRO ARG HIS LEU GLN LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C)C(CC)C)CCC1)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)CCC(=O)N)CC(C)C,
,Family. Representative Entry is ,1O75,,,,,,,
,,,PDX PDX:C:1,valid,,,,,S(=O)(=O)(OC1C(OS(=O)(=O)[O-])C(OCC2C(O)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(O)O2)OC(CO)C1O)[O-],
,,,XE:A:1415,invalid,,,,,[Xe],
,,,XE:A:1416,invalid,,,,,[Xe],
,,,XE:B:1415,invalid,,,,,[Xe],
,,,XE:B:1416,invalid,,,,,[Xe],
,,,XE:B:1417,invalid,,,,,[Xe],
,Family. Representative Entry is ,2X4T,,,,,,,
,,,ASN LEU VAL PRW MET VAL ALA THR VAL:C:1,valid,ic50,=,7.33,uM,S(CCC(NC(=O)C(O)C(O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C)C(C)C)C,
,,,ASN LEU VAL PRW MET VAL ALA THR VAL:F:1,valid,ic50,=,7.33,uM,S(CCC(NC(=O)C(O)C(O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C)C(C)C)C,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1277,invalid,,,,,C(C(CO)O)O,
,,,MES:B:1099,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1099,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6EWA,,,,,,,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:G:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,,ILE LEU LYS GLU PRO VAL HIS GLY VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(C)C)CCCC[NH3+])CCC(=O)[O-])CCC1)C(C)C)Cc1nc[nH]c1)C(C)C,
,,6EWO,,,,,,,
,,,ARG THR PHE SER PRO THR TYR GLY LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)Cc2ccccc2)CO)CCC1)C(O)C)Cc1ccc(O)cc1)CC(C)C,
,,,ARG THR PHE SER PRO THR TYR GLY LEU:G:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)Cc2ccccc2)CO)CCC1)C(O)C)Cc1ccc(O)cc1)CC(C)C,
,,2X4Q,,,,,,,
,,,GOL:B:1100,invalid,,,,,C(C(CO)O)O,
,,,MES:B:1099,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1276,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1099,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MSE ILE LEU GLY PRV VAL PHE PRQ VAL:C:1,valid,,,,,[Se](CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)[O-])C(C)C)c1c([N+](=O)[O-])cccc1)Cc1ccccc1)C(C)C)c1c([N+](=O)[O-])cccc1)CC(C)C)C(CC)C)C,
,,,MSE ILE LEU GLY PRV VAL PHE PRQ VAL:F:1,valid,,,,,[Se](CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)[O-])C(C)C)c1c([N+](=O)[O-])cccc1)Cc1ccccc1)C(C)C)c1c([N+](=O)[O-])cccc1)CC(C)C)C(CC)C)C,
,,1IM3,,,,,,,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:G:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:O:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,4N8V,,,,,,,
,,,MET LEU ILE TYR SER MET TRP GLY LYS:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCSC)CO)Cc1ccc(O)cc1)C(CC)C)CC(C)C)C,
,,,MET LEU ILE TYR SER MET TRP GLY LYS:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCSC)CO)Cc1ccc(O)cc1)C(CC)C)CC(C)C)C,
,Family. Representative Entry is ,4HGW,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KTU KDO:C:1,valid,Kd,=,0.000000064,M,O=C([O-])C1(OC=CC)OC(C(O)CO)CC(OC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C1,
,,2R2E,,,,,,,
,,,KDE:A:214,valid,,,,,C=CCO[C@@]1(C[C@H]([C@H]([C@H](O1)[C@H](CO)O)O)O)C(=O)O,
,,3SY0,,,,,,,
,,,KDA KDO KDO:C:1,valid,,,,,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:B:217,Part of Protein,,,,,[Mg+2],
,,,ZN:A:218,Part of Protein,,,,,[Zn+2],
,,3OKL,,,,,,,
,,,KDA KDO:C:1,valid,,,,,O=C([O-])C1(OCC=C)OC(C(O)COC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C(O)C(O)C1,
,,,ZN:B:214,Part of Protein,,,,,[Zn+2],
,,2R1Y,,,,,,,
,,,KDR KDO:C:1,valid,Kd,=,31,uM,O=C([O-])C1(OC2C(O)C(C(O)CO)OC(OCC=C)(C=O)C2)OC(C(O)CO)C(O)C(O)C1,
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:215,Part of Protein,,,,,[Mg+2],
,,,ZN:A:216,Part of Protein,,,,,[Zn+2],
,,2R2B,,,,,,,
,,,KDA KDO KDO:C:1,valid,,,,,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,,ZN:A:214,Part of Protein,,,,,[Zn+2],
,,,ZN:B:217,Part of Protein,,,,,[Zn+2],
,,2G5B,,,,,,,
,,,NAG NAG BMA:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN:P:1,Part of Protein,,,,,,
,,,NAG NDG:N:1,Part of Protein,,,,,,
,,,PRO THR SER SER GLU GLN ILE:I:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CO)CO)CCC(=O)[O-])CCC(=O)N)C(CC)C,
,,,PRO THR SER SER GLU GLN ILE:J:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CO)CO)CCC(=O)[O-])CCC(=O)N)C(CC)C,
,,,PRO THR SER SER GLU GLN ILE:K:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CO)CO)CCC(=O)[O-])CCC(=O)N)C(CC)C,
,,,PRO THR SER SER GLU GLN ILE:L:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CO)CO)CCC(=O)[O-])CCC(=O)N)C(CC)C,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R1X,,,,,,,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:B:214,Part of Protein,,,,,[Mg+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,KDA KDD:C:1,valid,Kd,=,16,uM,O=C([O-])C1(OCC=C)OC(C(O)COC2CC(C(=O)[O-])OC(C(O)CO)C2)C(O)C(O)C1,
,,3OKK,,,,,,,
,,,KDA KDO:C:1,valid,,,,,O=C([O-])C1(OCC=C)OC(C(O)COC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C(O)C(O)C1,
,,,ZN:A:216,Part of Protein,,,,,[Zn+2],
,,,ZN:B:223,Part of Protein,,,,,[Zn+2],
,,3OKE,,,,,,,
,,,KO2:B:214,valid,,,,,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,,,ZN:B:215,Part of Protein,,,,,[Zn+2],
,,3OKN,,,,,,,
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,KDA KDO KDO:C:1,valid,,,,,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,3HZM,,,,,,,
,,,KDO:B:303,valid,Kd,=,0.000000064,M,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:A:217,Part of Protein,,,,,[Mg+2],
,,,ZN:B:215,Part of Protein,,,,,[Zn+2],
,,2R23,,,,,,,
,,,MG:A:216,invalid,,,,,[Mg+2],
,,,ZN:B:217,Part of Protein,,,,,[Zn+2],
,,,KDA KO1:C:1,valid,Kd,=,190,uM,O=C([O-])C1(OC2C(O)C(C(O)CO)OC(OC=CC)(C(=O)[O-])C2)C(O)C(O)C(O)C(C(O)CO)O1,
,,1Q9W,,,,,,,
,,,KDO KDO KDO:F:1,valid,,,,,O=C([O-])C1(OC2C(O)C(C(O)CO)OC(O)(C(=O)[O-])C2)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C1,
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:215,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,,MG:C:314,Part of Protein,,,,,[Mg+2],
,,,MG:C:315,Part of Protein,,,,,[Mg+2],
,,,GP1 GP4 KDO KDO KDO:E:1,valid,,,,,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)CO)C(O)C(OC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C2)C1)([O-])[O-],
,,3T65,,,,,,,
,,,KDA KDO:C:1,valid,,,,,O=C([O-])C1(OCC=C)OC(C(O)COC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C(O)C(O)C1,
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,2R1W,,,,,,,
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:B:218,Part of Protein,,,,,[Mg+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,ZN:B:217,Part of Protein,,,,,[Zn+2],
,,,KDA KDB:C:1,valid,Kd,=,25,uM,O=C([O-])C1(OCC(O)C2C(O)C(O)CC(OC=CC)(C(=O)[O-])O2)OC(C(O)CO)CC=C1,
,,3OKO,,,,,,,
,,,KDA KDO KDO:C:1,valid,,,,,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,3HZV,,,,,,,
,,,KDA KDO KDO:C:1,valid,,,,,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:215,Part of Protein,,,,,[Mg+2],
,,,ZN:B:213,Part of Protein,,,,,[Zn+2],
,,3T4Y,,,,,,,
,,,KDO:B:303,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,3OKD,,,,,,,
,,,KDO:B:214,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,PEG:A:223,invalid,,,,,C(COCCO)O,
,,,PEG:B:215,invalid,,,,,C(COCCO)O,
,,,ZN:B:216,Part of Protein,,,,,[Zn+2],
,,3T77,,,,,,,
,,,KDA KDO:C:1,valid,,,,,O=C([O-])C1(OCC=C)OC(C(O)COC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C(O)C(O)C1,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:A:217,Part of Protein,,,,,[Mg+2],
,,,ZN:A:218,Part of Protein,,,,,[Zn+2],
,,3HZY,,,,,,,
,,,KDA KDO KDO:C:1,valid,Kd,=,0.000000064,M,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:B:220,Part of Protein,,,,,[Mg+2],
,,,ZN:A:214,Part of Protein,,,,,[Zn+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,ZN:A:218,Part of Protein,,,,,[Zn+2],
,,,ZN:B:215,Part of Protein,,,,,[Zn+2],
,,3HZK,,,,,,,
,,,KDA KDO:C:1,valid,Kd,=,0.3,M,O=C([O-])C1(OCC=C)OC(C(O)COC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C(O)C(O)C1,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:A:217,Part of Protein,,,,,[Mg+2],
,,,ZN:B:215,Part of Protein,,,,,[Zn+2],
,,2R2H,,,,,,,
,,,KO2:B:212,valid,,,,,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,,,MG:A:214,invalid,,,,,[Mg+2],
,,,ZN:B:215,Part of Protein,,,,,[Zn+2],
,,3BPC,,,,,,,
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:B:218,Part of Protein,,,,,[Mg+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,ZN:B:217,Part of Protein,,,,,[Zn+2],
,,,KDA KDB:C:1,valid,Kd,=,16,uM,O=C([O-])C1(OCC(O)C2C(O)C(O)CC(OC=CC)(C(=O)[O-])O2)OC(C(O)CO)CC=C1,
,Family. Representative Entry is ,5XQW,,,,,,,
,,,8EU:H:301,valid,Kd,=,1.6,nM,CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-],
,Family. Representative Entry is ,1D5Z,,,,,,,
,,,ACE ALC ARG ALA ODA SER LEU NH2:D:803,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1N2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC3CCCCC3)CCCNC(=[NH2+])N)C)CCC(=O)N2CCC1)CO)CC(C)C,
,,1D6E,,,,,,,
,,,ACE ALC ARG MPQ MET ALA SER TBG NH2:D:1,valid,,,,,S(CCC(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C)CC1CCCCC1)CCCNC(=[NH2+])N)C)c1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C(C)(C)C)CO)C)C,
,,1D5M,,,,,,,
,,,ACE ALC ARG ALA MET CY1 SER LEU NH2:D:803,valid,,,,,S(CNC(=O)C)CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC1CCCCC1)CCCNC(=[NH2+])N)C)CCSC)C(=O)NC(C(=O)NC(C(=O)[NH3+])CC(C)C)CO,
,,,NAG:A:1201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1D5X,,,,,,,
,,,ACE ALC ARG MAA HAQ SEL:D:803,valid,,,,,O=C(N(C(C(=O)NC1C(=O)N2C(C(=O)NC(CO)CO)Cc3c2c(ccc3)CC1)C)C)C(NC(=O)C(NC(=O)C)CC1CCCCC1)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,5TKJ,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ALA VAL GLY ILE GLY ALA VAL PHE:L:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:I:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:F:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,6CDP,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:1,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,6CDM,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:F:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,5ISZ,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,Kd,=,27,nM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,Family. Representative Entry is ,43CA,,,,,,,
,,,NPO:A:921,valid,Kd,<,1,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:C:922,valid,Kd,<,1,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:E:923,valid,Kd,<,1,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:G:924,valid,Kd,<,1,uM,c1cc(ccc1[N+](=O)[O-])O,
,Family. Representative Entry is ,1I3U,,,,,,,
,,,RR1:A:401,valid,,,,,c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)N)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3QFJ,,,,,,,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:247,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:248,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:250,invalid,,,,,C(C(CO)O)O,
,,,LEU LEU PHE GLY PHE PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,Family. Representative Entry is ,4CVZ,,,,,,,
,,,EDO:A:1279,invalid,,,,,C(CO)O,
,,,EDO:B:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1280,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1100,invalid,,,,,C(CO)O,
,,,EDO:B:1099,invalid,,,,,C(CO)O,
,,,TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)[O-])CC(C)C)CC(=O)[O-])CCC(=O)[O-])CCCC[NH3+])Cc1ccccc1)CC(=O)[O-])CCCNC(=[NH2+])N)CC(C)C,
,Family. Representative Entry is ,1Y0L,,,,,,,
,,,CL:E:901,invalid,,,,,[Cl-],
,,,HAN:A:601,valid,Kd,~,1,nM,Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O,
,,,HAN:D:701,valid,Kd,~,1,nM,Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O,
,,,HAN:F:801,valid,Kd,~,1,nM,Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O,
,,,HAN:H:501,valid,Kd,~,1,nM,Cc1cc2c(cc1C)n(c(n2)N)CCCCC(=O)O,
,Family. Representative Entry is ,3SCM,,,,,,,
,,,LGN:A:307,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,
,,,NAG:A:303,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:304,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3QI9,,,,,,,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:300,invalid,,,,,C(C(CO)O)O,
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PII:A:405,valid,,,,,CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)O)O)O)O,
,Family. Representative Entry is ,5IVX,,,,,,,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:P:1,valid,Kd,~,0.54,uM,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,Family. Representative Entry is ,1E4W,,,,,,,
,,,CL:P:901,invalid,,,,,[Cl-],
,,,NI:L:901,Part of Protein,,,,,[Ni+2],
,,,SER HIS PHE ASN GLU TYR GLU:P:1,valid,Kd,=,25,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)Cc1ccccc1)CC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1)CCC=O,
,Family. Representative Entry is ,3UO1,,,,,,,
,,,GLU PRO GLN ALA PRO TRP MET GLU GLN:P:46,valid,,,,,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCC(=O)[O-])CCC2)CCC(=O)N)C)CCC1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)CCC(=O)[O-])C,
,,,SO4:H:217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3V52,,,,,,,
,,,EDO:L:301,invalid,,,,,C(CO)O,
,,,GLU PRO GLN ALA PRO TRP MET GLU:P:46,valid,,,,,,
,,3UYR,,,,,,,
,,,EDO:L:219,invalid,,,,,C(CO)O,
,,,GLU PRO GLN ALA PRO TRP MET GLU:P:46,valid,,,,,,
,,3V4U,,,,,,,
,,,GLU PRO GLN ALA PRO TRP MET GLU GLN:P:46,valid,,,,,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCC(=O)[O-])CCC2)CCC(=O)N)C)CCC1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)CCC(=O)[O-])C,
,Family. Representative Entry is ,1F3D,,,,,,,
,,,SO4:K:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPM:J:401,valid,,,,,c1cc(ccc1CNC2=[NH+]CCCC2)N,
,,,TPM:L:400,valid,,,,,c1cc(ccc1CNC2=[NH+]CCCC2)N,
,Family. Representative Entry is ,6NPM,,,,,,,
,,,KVD:B:701,valid,Ki,=,110,uM,c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O,
,,6NPI,,,,,,,
,,,KW1:B:702,valid,,,,,Cc1c(c(no1)NC(=O)CSCC(=O)O)Br,
,,,60Q:B:701,valid,,,,,c1ccc(c(c1)C(=O)O)n2cccc2,
,,6VH6,,,,,,,
,,,QX4:B:701,valid,Kd,~,4,mM,Cc1ccc2c(c1)C(=CC(=O)O2)O,
,Family. Representative Entry is ,3KDM,,,,,,,
,,,TES:B:226,valid,Kd,=,0.1,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,TES:H:226,valid,Kd,=,0.1,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,6NPP,,,,,,,
,,,KWG:B:701,valid,Ki,=,0.89,uM,c1ccc(cc1)C#Cc2cccc(c2n3cccc3)C(=O)O,
,Family. Representative Entry is ,3RWG,,,,,,,
,,,MET HIS PRO ALA GLN THR SER GLN TRP:C:1,valid,ic50,=,2.8,nM,S(CCC([NH3+])C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc2c3c([nH]c2)cccc3)CCC(=O)N)CO)C(O)C)CCC(=O)N)C)CCC1)Cc1nc[nH]c1)C,
,,,NA:A:278,invalid,,,,,[Na+],
,,,PEG:B:100,invalid,,,,,C(COCCO)O,
,,,PEG:B:101,invalid,,,,,C(COCCO)O,
,,,XPE:A:277,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,3RWI,,,,,,,
,,,GLY SER HIS LEU GLU VAL GLN GLY TYR TRP:C:1,valid,ic50,=,116,nM,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)Cc1nc[nH]c1)CC(C)C)CCC(=O)[O-])C(C)C)CCC(=O)N)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2,
,,3RWC,,,,,,,
,,,ILE ARG TYR PRO LYS THR PHE GLY TRP:C:1,valid,ic50,=,7.6,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CCCC[NH3+])C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,,ILE ARG TYR PRO LYS THR PHE GLY TRP:F:1,valid,ic50,=,7.6,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CCCC[NH3+])C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2,
,,3RWE,,,,,,,
,,,PEG:A:277,invalid,,,,,C(COCCO)O,
,,,PEG:B:100,invalid,,,,,C(COCCO)O,
,,,PHE GLN TRP MET GLY TYR GLU LEU TRP:C:1,valid,ic50,=,43,nM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)N)Cc1c2c([nH]c1)cccc2)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(C)C)CCC(=O)[O-])Cc1ccc(O)cc1)C,
,Family. Representative Entry is ,2OK0,,,,,,,
,,,DT  DC:D:1,valid,Kd,=,0.2,nM,,
,Family. Representative Entry is ,1SE4,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1SE3,,,,,,,
,,,BGC GAL SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,1MRE,,,,,,,
,,,GDP:L:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,IMD:L:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:L:600,Part of Protein,,,,,[Zn+2],
,,1MRF,,,,,,,
,,,DI:L:901,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=CNC2=O,
,,,IMD:L:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:L:600,Part of Protein,,,,,[Zn+2],
,,1MRD,,,,,,,
,,,IDP:L:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O,
,,,IMD:L:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:L:600,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3G08,,,,,,,
,,,FEE:A:286,valid,Kd,=,6.843,nM,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCC)O)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PLM:A:287,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3GMM,,,,,,,
,,,C8P:A:300,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3MA7,,,,,,,
,,,CD4:A:2089,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC,
,,,CD4:C:2089,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC(CO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCC,
,,,NAG:C:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PLM:A:286,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:286,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1Z5L,,,,,,,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PBS:A:601,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O,
,,,PBS:C:602,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O,
,,,R16:A:701,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:C:702,invalid,,,,,CCCCCCCCCCCCCCCC,
,,5TW5,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,7LM:A:306,valid,,,,,CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O,
,,6CYW,,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FO4:A:305,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([OH-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=CCCCCCCCC)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3ILQ,,,,,,,
,,,1O2:C:286,valid,Kd,=,6.2,uM,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=CCCCCCCCC,
,,,NAG:C:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3GMR,,,,,,,
,,,C8P:A:298,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccccc2)O)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA MAN MAN:E:1,invalid,,,,,,
,,,PG4:B:100,invalid,,,,,C(COCCOCCOCCO)O,
,,,PLM:A:299,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3T1F,,,,,,,
,,,3TF:A:286,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=CCCCCCC,
,,,GOL:A:287,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:288,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:289,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:291,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3GMQ,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PLM:A:300,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6BMH,,,,,,,
,,,F61:G:301,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O,
,,,F61:E:301,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O,
,,,F61:C:301,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O,
,,,F61:A:301,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCC)O)O,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:C:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:305,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6OJP,,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA MAN MAN:C:1,invalid,,,,,,
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,7LP:A:309,valid,,,,,CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O,
,,,PLM:A:310,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2AKR,,,,,,,
,,,CIS:A:1001,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,,CIS:C:1002,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3GMP,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PBS:A:300,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O)O,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3AU1,,,,,,,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC GLC MAN BMA:D:1,invalid,,,,,,
,,,NAG NAG GLC MAN MAN:C:1,invalid,,,,,,
,,,BGC ERA GAL:E:1,valid,,,,,O=C(N=C(C(O)=CCCCCCCCCCCC)COC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)CCCCC=CCCCCCCCC=CC=CCCCC,
,,3GMN,,,,,,,
,,,C1Q:A:300,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCc2ccccc2)O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,5TW2,,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7LP:A:305,valid,,,,,CCCCCCCC(=O)NC(CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O,
,,,PLM:A:306,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3GML,,,,,,,
,,,C6Q:A:300,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2Q7Y,,,,,,,
,,,IGC:A:601,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O,
,,,IGC:C:602,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)NC(=O)CCCCCCC)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,PLM:A:701,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:702,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6BMK,,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,F57:C:504,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O,
,,,F57:A:504,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O,
,,3ILP,,,,,,,
,,,1L2:A:286,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=CC/C=CCCCCC,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3GMO,,,,,,,
,,,C8F:A:300,valid,,,,,CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCc2ccc(cc2)F)O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,NAG:A:288,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:D:1,invalid,,,,,,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2FIK,,,,,,,
,,,GSL:A:501,valid,,,,,CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PLM:A:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3FO2,,,,,,,
,,,BZH:A:401,valid,,,,,c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N,
,,,BZH:H:401,valid,,,,,c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N,
,,3FO0,,,,,,,
,,,BZH:H:401,valid,,,,,c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N,
,,,GOL:H:501,invalid,,,,,C(C(CO)O)O,
,,3FO1,,,,,,,
,,,BZH:B:401,valid,,,,,c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N,
,,,BZH:H:401,valid,,,,,c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N,
,Family. Representative Entry is ,5T70,,,,,,,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,THR SER ASN LEU GLN GLU GLN ILE GLY TRP:C:1,valid,Kd,=,102,uM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)CC(=O)N)CC(C)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)N)C(CC)C)Cc1c2c([nH]c1)cccc2,
,,3WUW,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,,NAG:G:300,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6V3J,,,,,,,
,,,NAG:G:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:300,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,5B39,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5T6Z,,,,,,,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:300,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,THR SER THR LEU GLN GLU GLN ILE GLY TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)C(O)C)CC(C)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)N)C(CC)C)Cc1c2c([nH]c1)cccc2,
,,5B38,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3VH8,,,,,,,
,,,LEU SER SER PRO VAL THR LYS SER PHE:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,,LEU SER SER PRO VAL THR LYS SER PHE:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)CCCC[NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CO)CO)CCC1)C(C)C)C(O)C,
,,,NAG:G:300,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:300,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:302,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5EU6,,,,,,,
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,TYR LEU GLU PRO GLY PRO VAL THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC(=O)[O-])CCC2)CCC1)C(C)C)C(O)C)C(C)C,
,Family. Representative Entry is ,2APH,,,,,,,
,,,AMU ALA GMA LYS DAL DAL NH2:C:883,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)N)CCCC[NH3+])C)C,
,,,AMU ALA GMA LYS DAL DAL NH2:D:994,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)N)CCCC[NH3+])C)C,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TWQ,,,,,,,
,,,AMU ALA GMA LYS NH2:P:995,valid,,,,,O=C([NH3+])C(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)N)CCCC[NH3+],
,,,NI:A:900,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1Q72,,,,,,,
,,,COC:H:401,valid,Kd,=,0.0000123,M,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,,1QYG,,,,,,,
,,,BCG:H:401,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O,
,,1RIV,,,,,,,
,,,OBE:H:201,valid,,,,,C[N@H+]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3cccc(c3)O)C(=O)[O-],
,,1RIU,,,,,,,
,,,RBE:H:201,valid,,,,,c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3,
,Family. Representative Entry is ,3DBX,,,,,,,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:521,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PLM:A:522,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1QKZ,,,,,,,
,,,ALA ASN GLY GLY ALA SER GLY GLN VAL LYS:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)C)CO)CCC(=O)N)C(C)C)CCCC[NH3+],
,Family. Representative Entry is ,4Z76,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:E:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,LEU TYR LEU VAL CYS GLY GLU ARG VAL:F:1,valid,Kd,=,13.6,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,LEU TYR LEU VAL CYS GLY GLU ARG VAL:C:1,valid,Kd,=,13.6,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,5GSV,,,,,,,
,,,PHE TYR ALA PRO GLU PRO ILE THR SER LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccccc3)Cc3ccc(O)cc3)C)CCC2)CCC(=O)[O-])CCC1)C(CC)C)C(O)C)CO)CC(C)C,
,,4WDI,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,LEU TYR LEU VAL CYS GLY GLU ARG GLY:F:1,valid,Kd,=,286,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,LEU TYR LEU VAL CYS GLY GLU ARG GLY:C:1,valid,Kd,=,286,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-],
,,5GSR,,,,,,,
,,,TYR TYR SER ILE ALA PRO HIS SER ILE:P:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)CO)Cc2nc[nH]c2)CCC1)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1ccc(O)cc1)CO)C(CC)C,
,,,TYR TYR SER ILE ALA PRO HIS SER ILE:Q:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)CO)Cc2nc[nH]c2)CCC1)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1ccc(O)cc1)CO)C(CC)C,
,,5GR7,,,,,,,
,,,TYR TYR SER ILE ILE PRO HIS SER ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccc(O)cc2)Cc2ccc(O)cc2)CO)C(CC)C)C(CC)C)CCC1)Cc1nc[nH]c1)CO)C(CC)C,
,,4Z78,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:H:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE:I:1,valid,Kd,=,113,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE:F:1,valid,Kd,=,113,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE:C:1,valid,Kd,=,113,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,5GSX,,,,,,,
,,,PHE TYR ALA PRO GLU PRO ILE THR SER LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccccc3)Cc3ccc(O)cc3)C)CCC2)CCC(=O)[O-])CCC1)C(CC)C)C(O)C)CO)CC(C)C,
,,,PHE TYR ALA PRO GLU PRO ILE THR SER LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccccc3)Cc3ccc(O)cc3)C)CCC2)CCC(=O)[O-])CCC1)C(CC)C)C(O)C)CO)CC(C)C,
,,5GSB,,,,,,,
,,,LYS TYR TYR SER ILE ILE PRO HIS SER ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc2ccc(O)cc2)Cc2ccc(O)cc2)CO)C(CC)C)C(CC)C)CCC1)Cc1nc[nH]c1)CO)C(CC)C,
,Family. Representative Entry is ,3FN0,,,,,,,
,,,TRP ASN TRP PHE ASP ILE THR ASN LYS:P:670,valid,Kd,~,40,uM,O=C(NC(C(=O)NC(C=O)C)CC(=O)N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CC(=O)N)Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])C(CC)C)C(O)C,
,Family. Representative Entry is ,6GH1,,,,,,,
,,,ZN:G:302,Part of Protein,,,,,[Zn+2],
,,,ARG LEU PRO ALA LYS ALA PRO LEU LEU:Z:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG LEU PRO ALA LYS ALA PRO LEU LEU:R:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG LEU PRO ALA LYS ALA PRO LEU LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG LEU PRO ALA LYS ALA PRO LEU LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Z:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BZF,,,,,,,
,,,VAL MET ALA PRO ARG ALA LEU LEU LEU:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C)CC(C)C)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,VAL MET ALA PRO ARG ALA LEU LEU LEU:Q:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C)CC(C)C)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,6GH4,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ARG GLN PRO ALA LYS ALA PRO LEU LEU:Y:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG GLN PRO ALA LYS ALA PRO LEU LEU:R:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG GLN PRO ALA LYS ALA PRO LEU LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,ARG GLN PRO ALA LYS ALA PRO LEU LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)CCC2)C)CCCC[NH3+])C)CCC1)CC(C)C)CC(C)C,
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BZE,,,,,,,
,,,VAL MET ALA PRO ARG THR LEU PHE LEU:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc2ccccc2)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,VAL MET ALA PRO ARG THR LEU PHE LEU:Q:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc2ccccc2)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,VAL MET ALA PRO ARG THR LEU PHE LEU:R:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc2ccccc2)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,,,VAL MET ALA PRO ARG THR LEU PHE LEU:S:1,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)Cc2ccccc2)CC(C)C)C(O)C)CCCNC(=[NH2+])N)CCC1)C)C,
,Family. Representative Entry is ,1S3K,,,,,,,
,,,GOL:L:1001,invalid,,,,,C(C(CO)O)O,
,,,NDG FUC GAL FUC:A:1,valid,Kd,=,0.24,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,3EYV,,,,,,,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:220,Part of Protein,,,,,[Zn+2],
,,,ZN:A:221,Part of Protein,,,,,[Zn+2],
,,,ZN:L:220,Part of Protein,,,,,[Zn+2],
,,,ZN:L:221,Part of Protein,,,,,[Zn+2],
,,,NDG FUC GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2AJV,,,,,,,
,,,COC:L:501,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,,2AJX,,,,,,,
,,,TGN:L:501,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O[P@](=O)(c3ccccc3)O)C(=O)OC,
,,2AJZ,,,,,,,
,,,ECG:A:302,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC,
,,,ECG:L:301,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC,
,,2AK1,,,,,,,
,,,BEZ:H:401,valid,,,,,c1ccc(cc1)C(=O)O,
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:504,Part of Protein,,,,,[Zn+2],
,,,ZN:L:501,Part of Protein,,,,,[Zn+2],
,,,ZN:L:503,Part of Protein,,,,,[Zn+2],
,,2AJY,,,,,,,
,,,BEZ:H:306,valid,,,,,c1ccc(cc1)C(=O)O,
,,,ECG:L:304,valid,,,,,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC,
,,,ZN:H:304,Part of Protein,,,,,[Zn+2],
,,,ZN:H:305,Part of Protein,,,,,[Zn+2],
,,,ZN:L:301,Part of Protein,,,,,[Zn+2],
,,,ZN:L:302,Part of Protein,,,,,[Zn+2],
,,,ZN:L:303,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5H94,,,,,,,
,,,LYS MET ASN THR GLN PHE THR ALA VAL:C:1,valid,,,,,S(CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C(O)C)Cc1ccccc1)CCC(=O)N)C(O)C)CC(=O)N)C,
,,,LYS MET ASN THR GLN PHE THR ALA VAL:F:1,valid,,,,,S(CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C)C(O)C)Cc1ccccc1)CCC(=O)N)C(O)C)CC(=O)N)C,
,,3QQ4,,,,,,,
,,,ALA THR ALA ALA ALA THR GLU ALA TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(O)C)C)C)C)C(O)C)CCC(=O)[O-])C)Cc1ccc(O)cc1,
,Family. Representative Entry is ,1NC2,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,DOE:B:500,valid,,,,,c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO,
,,,DOE:D:501,valid,,,,,c1cc(ccc1C[C@H]2C[N@](CC[N@](CC[N@](CC[N@]2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)NC(=O)CSCCO,
,,,NAG:D:400,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,YT3:B:502,invalid,,,,,[Y+3],
,,,YT3:D:503,invalid,,,,,[Y+3],
,Family. Representative Entry is ,4PGC,,,,,,,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,PHE ALA PRO GLY ASN TYI PRO ALA LEU:F:1,valid,,,,,Ic1c(O)c(I)cc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C)CCC2)c1,
,,,PHE ALA PRO GLY ASN TYI PRO ALA LEU:C:1,valid,,,,,Ic1c(O)c(I)cc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C([NH3+])Cc3ccccc3)C)CCC2)CC(=O)N)C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C)CCC2)c1,
,Family. Representative Entry is ,6ULI,,,,,,,
,,,GLY ALA ASP GLY VAL GLY LYS SER ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C)CC(=O)[O-])C(C)C)CCCC[NH3+])CO)C,
,,5XS3,,,,,,,
,,,VAL ARG SER ARG ARG CYS LEU ARG LEU:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)CC(C)C,
,Family. Representative Entry is ,1BD2,,,,,,,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,Family. Representative Entry is ,1A4K,,,,,,,
,,,CD:A:5028,invalid,,,,,[Cd+2],
,,,CD:A:5029,invalid,,,,,[Cd+2],
,,,CD:L:5028,invalid,,,,,[Cd+2],
,,,CD:L:5029,invalid,,,,,[Cd+2],
,,,FRA:B:3083,valid,Kd,=,0.01,uM,CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O,
,,,FRA:H:3083,valid,Kd,=,0.01,uM,CC(=O)Nc1ccc(cc1)N2C(=O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OCC(=O)O,
,Family. Representative Entry is ,4X6F,,,,,,,
,,,3XU:A:301,valid,,,,,CCCCCCCCCCCCC/C=C[C@@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC/C=CCCCCCCCC)O,
,,1ONQ,,,,,,,
,,,FUC:A:531,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:532,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG:C:511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:F:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SLF:A:601,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O,
,,,SLF:C:602,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O,
,,4X6E,,,,,,,
,,,MLT:A:301,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,42H:A:302,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O,
,,6NUX,,,,,,,
,,,FOF:A:301,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1X9Q,,,,,,,
,,,ACT:A:1474,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1475,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1476,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1477,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1478,invalid,,,,,CC(=O)[O-],
,,,FLU:A:1341,valid,Kd,=,0.27,pM,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,Family. Representative Entry is ,6DZN,,,,,,,
,,,CL:L:301,invalid,,,,,[Cl-],
,,,CL:L:303,invalid,,,,,[Cl-],
,,,CL:L:302,invalid,,,,,[Cl-],
,,,CL:H:301,invalid,,,,,[Cl-],
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,PG4:L:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,AE3:L:304,valid,,,,,CCOCCOCCO,
,Family. Representative Entry is ,3IJH,,,,,,,
,,,KO2:B:214,valid,Kd,=,100,uM,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,,,KO2:C:214,valid,Kd,=,100,uM,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,,,MG:B:215,Part of Protein,,,,,[Mg+2],
,,,MG:D:214,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2HVK,,,,,,,
,,,F09:A:220,invalid,,,,,CCCCCCCCCO,
,,,K:C:3001,Part of Protein,,,,,[K+],
,,,K:C:3002,Part of Protein,,,,,[K+],
,,,K:C:3003,Part of Protein,,,,,[K+],
,,,K:C:3004,Part of Protein,,,,,[K+],
,,,K:C:3005,Part of Protein,,,,,[K+],
,,,K:C:3006,Part of Protein,,,,,[K+],
,,,L2C:C:201,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC,
,,,TBA:C:4001,valid,,,,,CCCC[N+](CCCC)(CCCC)CCCC,
,Family. Representative Entry is ,3ERY,,,,,,,
,,,GLN LEU SER PRO PHE PRO PHE ASP LEU:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])Cc3ccccc3)CCC2)Cc2ccccc2)CCC1)CO)CC(C)C)C([NH3+])CCC(=O)N,
,,,GLN LEU SER PRO PHE PRO PHE ASP LEU:Q:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])Cc3ccccc3)CCC2)Cc2ccccc2)CCC1)CO)CC(C)C)C([NH3+])CCC(=O)N,
,Family. Representative Entry is ,1YEJ,,,,,,,
,,,PNF:L:551,valid,Kd,=,35,nM,c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCCCCCC(=O)O)O,
,,,ZN:L:601,Part of Protein,,,,,[Zn+2],
,,,ZN:L:602,Part of Protein,,,,,[Zn+2],
,,,ZN:L:603,Part of Protein,,,,,[Zn+2],
,,,ZN:L:604,Part of Protein,,,,,[Zn+2],
,,,ZN:L:605,Part of Protein,,,,,[Zn+2],
,,,ZN:L:606,Part of Protein,,,,,[Zn+2],
,,,ZN:L:607,Part of Protein,,,,,[Zn+2],
,,1YEE,,,,,,,
,,,PNB:H:551,valid,,,,,c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-],
,,1KN4,,,,,,,
,,,PDE:L:551,valid,,,,,C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-],
,,,ZN:L:553,Part of Protein,,,,,[Zn+2],
,,,ZN:L:554,Part of Protein,,,,,[Zn+2],
,,,ZN:L:555,Part of Protein,,,,,[Zn+2],
,,,ZN:L:556,Part of Protein,,,,,[Zn+2],
,,,ZN:L:557,Part of Protein,,,,,[Zn+2],
,,,ZN:L:558,Part of Protein,,,,,[Zn+2],
,,,ZN:L:559,Part of Protein,,,,,[Zn+2],
,,1YEG,,,,,,,
,,,ACT:H:552,invalid,,,,,CC(=O)[O-],
,,,BPN:L:551,valid,,,,,c1cc(ccc1CO)[N+](=O)[O-],
,,,ZN:L:215,Part of Protein,,,,,[Zn+2],
,,,ZN:L:216,Part of Protein,,,,,[Zn+2],
,,,ZN:L:217,Part of Protein,,,,,[Zn+2],
,,,ZN:L:218,Part of Protein,,,,,[Zn+2],
,,,ZN:L:219,Part of Protein,,,,,[Zn+2],
,,,ZN:L:220,Part of Protein,,,,,[Zn+2],
,,,ZN:L:221,Part of Protein,,,,,[Zn+2],
,,1YEK,,,,,,,
,,,NPO:H:551,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,ZN:L:601,Part of Protein,,,,,[Zn+2],
,,,ZN:L:602,Part of Protein,,,,,[Zn+2],
,,,ZN:L:603,Part of Protein,,,,,[Zn+2],
,,,ZN:L:604,Part of Protein,,,,,[Zn+2],
,,,ZN:L:605,Part of Protein,,,,,[Zn+2],
,,,ZN:L:606,Part of Protein,,,,,[Zn+2],
,,,ZN:L:607,Part of Protein,,,,,[Zn+2],
,,1YEI,,,,,,,
,,,PGG:L:551,valid,Kd,=,35,nM,c1cc(ccc1[N+](=O)[O-])O[P@@](=O)(CCCC(=O)NCC(=O)O)O,
,,,ZN:L:601,Part of Protein,,,,,[Zn+2],
,,,ZN:L:602,Part of Protein,,,,,[Zn+2],
,,,ZN:L:603,Part of Protein,,,,,[Zn+2],
,,,ZN:L:604,Part of Protein,,,,,[Zn+2],
,,,ZN:L:605,Part of Protein,,,,,[Zn+2],
,,,ZN:L:606,Part of Protein,,,,,[Zn+2],
,,,ZN:L:607,Part of Protein,,,,,[Zn+2],
,,1YEC,,,,,,,
,,,PNB:H:551,valid,,,,,c1cc(ccc1CO[P@](=O)(CCCC(=O)NCC(=O)O)O)[N+](=O)[O-],
,,,ZN:L:215,Part of Protein,,,,,[Zn+2],
,,,ZN:L:216,Part of Protein,,,,,[Zn+2],
,,,ZN:L:217,Part of Protein,,,,,[Zn+2],
,,,ZN:L:218,Part of Protein,,,,,[Zn+2],
,,,ZN:L:219,Part of Protein,,,,,[Zn+2],
,,,ZN:L:220,Part of Protein,,,,,[Zn+2],
,,,ZN:L:221,Part of Protein,,,,,[Zn+2],
,,1YEF,,,,,,,
,,,PNC:L:551,valid,,,,,c1cc(ccc1CNC(=O)CCCC(=O)NCC(=O)O)[N+](=O)[O-],
,,,ZN:L:215,Part of Protein,,,,,[Zn+2],
,,,ZN:L:216,Part of Protein,,,,,[Zn+2],
,,,ZN:L:217,Part of Protein,,,,,[Zn+2],
,,,ZN:L:218,Part of Protein,,,,,[Zn+2],
,,,ZN:L:219,Part of Protein,,,,,[Zn+2],
,,,ZN:L:220,Part of Protein,,,,,[Zn+2],
,,,ZN:L:221,Part of Protein,,,,,[Zn+2],
,,,ZN:L:222,Part of Protein,,,,,[Zn+2],
,,1KN2,,,,,,,
,,,PNE:L:551,valid,,,,,CC(C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-],
,,,ZN:L:553,Part of Protein,,,,,[Zn+2],
,,,ZN:L:554,Part of Protein,,,,,[Zn+2],
,,,ZN:L:555,Part of Protein,,,,,[Zn+2],
,,,ZN:L:556,Part of Protein,,,,,[Zn+2],
,,,ZN:L:557,Part of Protein,,,,,[Zn+2],
,,,ZN:L:558,Part of Protein,,,,,[Zn+2],
,,,ZN:L:559,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6BJ3,,,,,,,
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ILE PRO LEU THR GLU GLU ALA GLU LEU:C:1,valid,Kd,=,17,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(CC)C)CCC1)CC(C)C)C(O)C)CCC(=O)[O-])CCC(=O)[O-])C)CCC(=O)[O-])CC(C)C,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:H:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,6BJ8,,,,,,,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,PO4:H:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VAL PRO LEU THR GLU ASP ALA GLU LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C)C(O)C)CCC(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])CC(C)C,
,Family. Representative Entry is ,1M48,,,,,,,
,,,FRG:A:301,valid,Kd,=,8.2,uM,[H]/N=C(/N)N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC,
,,,FRG:B:302,valid,Kd,=,8.2,uM,[H]/N=C(/N)N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#Cc3ccccc3)C(=O)OC,
,,1M49,,,,,,,
,,,CMM:A:201,valid,,,,,[H]/N=C(/N)N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC,
,,,CMM:B:202,valid,,,,,[H]/N=C(/N)N1CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)CCc3cccc4c3[nH]cc4C(=O)C(=O)O)C(=O)OC,
,Family. Representative Entry is ,1FLR,,,,,,,
,,,FLU:L:600,valid,Kd,=,0.1,nM,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,Family. Representative Entry is ,5EOR,,,,,,,
,,,NA:H:301,Part of Protein,,,,,[Na+],
,,,ASP VAL GLN THR GLY ARG ARG PRO TYR GLU:A:102,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)CCC(=O)N)C(O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC1)Cc1ccc(O)cc1)CCC(=O)[O-],
,Family. Representative Entry is ,6M2J,,,,,,,
,,,THR LEU ILE ASP LEU THR GLU LEU ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CC(C)C)C(CC)C)CC(=O)[O-])CC(C)C)C(O)C)CCC(=O)[O-])CC(C)C)C(CC)C,
,,6M24,,,,,,,
,,,ALA LEU MET PRO GLY GLN PHE PHE VAL:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc2ccccc2)Cc2ccccc2)CCC(=O)N)CCC1)C,
,Family. Representative Entry is ,1JOC,,,,,,,
,,,ITP:A:101,valid,Kd,=,24,uM,C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O,
,,,ITP:B:102,valid,Kd,=,24,uM,C1([C@@H]([C@H](C([C@H]([C@@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)O,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4E5X,,,,,,,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,,,LEU LEU PHE GLY TYR PRO VAL TYR VAL:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(C)C)Cc1ccc(O)cc1)C(C)C,
,Family. Representative Entry is ,3QCU,,,,,,,
,,,NKN:H:215,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,NKN:I:215,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,Family. Representative Entry is ,4ONF,,,,,,,
,,,ASP ALA GLU PHE ARG HIS ASP:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,Family. Representative Entry is ,5JHD,,,,,,,
,,,EDT:J:301,invalid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,EDT:E:301,invalid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:H:1,valid,Kd,=,37,nM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,,,GLY ILE LEU GLY PHE VAL PHE THR LEU:C:1,valid,Kd,=,37,nM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)C(C)C)Cc1ccccc1)C(O)C,
,Family. Representative Entry is ,3QUZ,,,,,,,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:E:1,Part of Protein,,,,,,
,,,QUV:A:286,valid,Kd,=,39.6,nM,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CNC(=O)Nc2cccc3c2cccc3)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,6CXE,,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,EM4:A:306,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O,
,,6CXF,,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA MAN:E:1,invalid,,,,,,
,,,NA:D:303,invalid,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,ELS:A:308,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)Nc2ccc(cc2)CCCCC)O)O,
,,6CX9,,,,,,,
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EM4:A:308,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCc2ccccc2)O)O,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,6MJI,,,,,,,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC BMA MAN:F:1,invalid,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:D:605,Part of Protein,,,,,[Na+],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,JTD:A:310,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2CC2)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,6CW9,,,,,,,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7LM:A:308,valid,,,,,CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PLM:A:307,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6MJ4,,,,,,,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,JTG:A:309,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC=C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,6MIV,,,,,,,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NA:D:303,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,JU1:A:307,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C(C)(C)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,6MJA,,,,,,,
,,,JTJ:A:308,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)C)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NAG NAG FUC BMA:F:1,invalid,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6MJ6,,,,,,,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:D:605,invalid,,,,,[Na+],
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,JTM:A:309,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(cc2)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,NAG NAG FUC BMA:F:1,invalid,,,,,,
,,6CX5,,,,,,,
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FJM:A:308,valid,,,,,CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(=O)NCCCCCCCCc2ccccc2)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PLM:A:307,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3QUY,,,,,,,
,,,GOL:D:241,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:286,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:287,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:E:1,Part of Protein,,,,,,
,,,QUY:A:291,valid,Kd,=,187,nM,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C(=O)NCc2ccccc2)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,6MJJ,,,,,,,
,,,NA:D:304,invalid,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:C:606,Part of Protein,,,,,[Na+],
,,,NA:C:605,Part of Protein,,,,,[Na+],
,,,NA:D:303,invalid,,,,,[Na+],
,,,NA:C:608,Part of Protein,,,,,[Na+],
,,,NA:C:607,invalid,,,,,[Na+],
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,NA:C:610,Part of Protein,,,,,[Na+],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,JU4:A:308,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCc2ccc(c(c2)Cl)Cl)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,NAG:A:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2UZI,,,,,,,
,,,GTP:R:1167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:R:1168,Part of Protein,,,,,[Mg+2],
,,,ZN:H:1115,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1116,Part of Protein,,,,,[Zn+2],
,,,ZN:R:1169,Part of Protein,,,,,[Zn+2],
,,,ZN:R:1170,Part of Protein,,,,,[Zn+2],
,,,ZN:R:1171,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KEL,,,,,,,
,,,AAH:H:219,valid,Kd,=,52,nM,c1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-],
,Family. Representative Entry is ,1JGU,,,,,,,
,,,HBC:H:3001,valid,,,,,c1ccc(cc1)[C@@H]2[C@H]3CC[C@H](C3)[C@@]2(C(=O)c4ccccc4)N,
,,,OH:H:4000,invalid,,,,,[OH-],
,Family. Representative Entry is ,2DDQ,,,,,,,
,,,EPE:H:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HRB:L:502,valid,,,,,CCCCC[C@@H]1[C@H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O)NC(=O)C,
,Family. Representative Entry is ,2DQU,,,,,,,
,,,CPD:H:501,valid,Ki,=,50,nM,CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl,
,,2DQT,,,,,,,
,,,CPD:H:501,valid,Ki,=,50,nM,CCNC(=O)N(CCCN(C)C)[P@](=O)(Cc1ccc(cc1)NC(=O)C(F)(F)F)O[C@@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl,
,Family. Representative Entry is ,5WEU,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,ARG GLY PRO GLY CYS ALA PHE VAL THR ILE:P:1,valid,Kd,=,0.19,mM,SCC(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)C(O)C)C(C)C)Cc1ccccc1)C,
,,3ECB,,,,,,,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:P:1,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,,,EDO:A:278,invalid,,,,,C(CO)O,
,,,EDO:A:279,invalid,,,,,C(CO)O,
,,,EDO:A:280,invalid,,,,,C(CO)O,
,,,EDO:A:281,invalid,,,,,C(CO)O,
,,,EDO:B:100,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,MG:A:282,Part of Protein,,,,,[Mg+2],
,,3E6F,,,,,,,
,,,ILE GLY PRO GLY ARG ALA PHE TYR ALA:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C,
,,5KD7,,,,,,,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,GOL:F:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:304,invalid,,,,,C(C(CO)O)O,
,,,ILE GLY PRO GLY ARG ALA PHE TYR VAL:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C,
,,,ILE GLY PRO GLY ARG ALA PHE TYR VAL:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C,
,,,ILE GLY PRO GLY ARG ALA PHE TYR VAL:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C,
,,,ILE GLY PRO GLY ARG ALA PHE TYR VAL:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C,
,,3E6H,,,,,,,
,,,ILE GLY PRO GLY ARG ALA PHE TYR THR ILE:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(O)C)C(CC)C,
,,5T7G,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,ILE GLY PRO GLY ARG ALA PHE TYR THR:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(O)C,
,,,ILE GLY PRO GLY ARG ALA PHE TYR THR:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])C(CC)C)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)Cc1ccc(O)cc1)C(O)C,
,Family. Representative Entry is ,6MQC,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:D:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,1JGL,,,,,,,
,,,EST:L:911,valid,Kd,=,2,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,3T0W,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,DIW:A:204,valid,,,,,CC1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C,
,,,PE3:A:203,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1A0Q,,,,,,,
,,,HEP:H:214,valid,Ki,=,27,nM,CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1,
,,,ZN:H:212,Part of Protein,,,,,[Zn+2],
,,,ZN:H:213,Part of Protein,,,,,[Zn+2],
,,,ZN:L:214,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2Z93,,,,,,,
,,,END:C:1,valid,Kd,=,11.1,nM,C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@@H]([C@H](O4)CO)O)O[C@H]3[C@@H]2O,
,,2Z92,,,,,,,
,,,CIT:A:2181,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ENE:A:1,valid,Kd,=,0.8,nM,C1C=CCO[C@H]2[C@H]1O[C@@H]3C[C@H]4[C@@H](C=C[C@H]5[C@H](O4)CC=C/[C@@H]([C@H](O5)CO)O)O[C@H]3[C@@H]2O,
,Family. Representative Entry is ,3EYS,,,,,,,
,,,GOL:H:224,invalid,,,,,C(C(CO)O)O,
,,,PCA PHE ARG HIS ASP SER:Q:3,valid,Kd,=,3000,nM,O=C(NC(C(=O)NC(C=O)CC(=O)[O-])Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)Cc1ccccc1)CCCNC(=[NH2+])N,
,,2R0W,,,,,,,
,,,ASP ALA GLU PHE ARG HIS ASP SER:Q:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,,,NA:L:214,invalid,,,,,[Na+],
,,5EOQ,,,,,,,
,,,LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU:A:32,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCC(=O)[O-])C)C(CC)C)C(C)C)CCCC[NH3+])C)CC(=O)[O-])CCC(=O)[O-],
,,2IPU,,,,,,,
,,,ACM:H:1138,Part of Protein,,,,,CC(=O)N,
,,,ACM:K:1219,Part of Protein,,,,,CC(=O)N,
,,,ACM:L:1219,Part of Protein,,,,,CC(=O)N,
,,,ASP ALA GLU PHE ARG HIS ASP SER:P:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,,,ASP ALA GLU PHE ARG HIS ASP SER:Q:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,,,GOL:K:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:911,invalid,,,,,C(C(CO)O)O,
,,2R0Z,,,,,,,
,,,ALA LYS PHE ARG HIS ASP:Q:2,valid,Kd,=,3400,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCC[NH3+])Cc1ccccc1)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(=O)[O-],
,,,GOL:L:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:215,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1GHQ,,,,,,,
,,,NDG:B:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4F7E,,,,,,,
,,,0SH:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,NAG:A:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2E56,,,,,,,
,,,MYR:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:601,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:701,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2E59,,,,,,,
,,,LP5 LP4:A:501,valid,,,,,P(=O)(OC1C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OCC2C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)([O-])[O-])O2)OC1CO)([O-])[O-],
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6O9B,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:204,invalid,,,,,C(COCCO)O,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:203,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,IMD:A:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,PG4:A:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,THR THR ALA PRO SER LEU SER GLY LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)C(O)C)C)CCC1)CO)CC(C)C)CO)CCCC[NH3+],
,,6O9C,,,,,,,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:B:206,invalid,,,,,C(COCCO)O,
,,,THR THR ALA PRO PHE LEU SER GLY LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)C(O)C)C)CCC1)Cc1ccccc1)CC(C)C)CO)CCCC[NH3+],
,Family. Representative Entry is ,1EAP,,,,,,,
,,,HEP:B:222,valid,,,,,CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1,
,Family. Representative Entry is ,1SVZ,,,,,,,
,,,PRO GLN PHE SER LEU TRP LYS ARG:C:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)Cc1ccccc1)CO,
,,,PRO GLN PHE SER LEU TRP LYS ARG:D:1,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)N)Cc1ccccc1)CO,
,Family. Representative Entry is ,5T78,,,,,,,
,,,NGA ALA PRO ASP THR ARG PRO ALA PRO:F:101,valid,Kd,=,43,nM,,
,,,ALA PRO ASP THR ARG PRO ALA PRO NGA:E:2,valid,Kd,=,43,nM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(=O)[O-])C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C,
,,5T6P,,,,,,,
,,,ALA PRO ASP THR ARG PRO ALA PRO:E:3,valid,Kd,=,880,nM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C(N)CC(=O)[O-])C(O)C,
,,,ALA PRO ASP THR ARG PRO ALA PRO:F:3,valid,Kd,=,880,nM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C(N)CC(=O)[O-])C(O)C,
,Family. Representative Entry is ,4TUO,,,,,,,
,,,NA:D:301,invalid,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,GLC GAL SIA NGA SIA:F:1,valid,,,,,,
,,,BGC GAL SIA NGA SIA:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,1ZT1,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,PHE GLU ALA ASN GLY ASN LEU ILE:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCC(=O)[O-])C)CC(=O)N)CC(=O)N)CC(C)C)C(CC)C,
,Family. Representative Entry is ,1KJM,,,,,,,
,,,ALA GLN PHE SER ALA SER ALA SER ARG:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)N)Cc1ccccc1)CO)C)CO)C)CO)CCCNC(=[NH2+])N,
,,,SO4:A:286,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3DUR,,,,,,,
,,,KDO:A:303,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:D:303,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:107,Part of Protein,,,,,[Mg+2],
,,,MG:C:108,Part of Protein,,,,,[Mg+2],
,,,PG4:B:112,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:304,invalid,,,,,C(COCCOCCOCCO)O,
,,3DUS,,,,,,,
,,,KDO:A:107,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:C:108,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:C:109,Part of Protein,,,,,[Mg+2],
,,,MG:C:110,Part of Protein,,,,,[Mg+2],
,,,PG4:B:114,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:114,invalid,,,,,C(COCCOCCOCCO)O,
,,3DV4,,,,,,,
,,,KDO:B:114,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:115,Part of Protein,,,,,[Mg+2],
,,,PG4:B:116,invalid,,,,,C(COCCOCCOCCO)O,
,,3DUU,,,,,,,
,,,KDO:B:114,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:D:114,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:112,Part of Protein,,,,,[Mg+2],
,,,MG:C:111,Part of Protein,,,,,[Mg+2],
,,,MG:C:113,Part of Protein,,,,,[Mg+2],
,,,PG4:B:115,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:115,invalid,,,,,C(COCCOCCOCCO)O,
,,3DV6,,,,,,,
,,,KDO:B:114,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:109,invalid,,,,,[Mg+2],
,,,MG:A:110,invalid,,,,,[Mg+2],
,,,PG4:B:115,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1LP9,,,,,,,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,2JCC,,,,,,,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,2UWE,,,,,,,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,,,ALA LEU TRP GLY PHE PHE PRO VAL LEU:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)Cc2c3c([nH]c2)cccc3)Cc2ccccc2)Cc2ccccc2)CCC1)C(C)C)CC(C)C,
,Family. Representative Entry is ,1DL7,,,,,,,
,,,NCH:L:999,valid,Kd,=,0.32,uM,C[N+](C)(C)CCO[P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-],
,Family. Representative Entry is ,1MFD,,,,,,,
,,,MMA GLA ABE:A:1,valid,Kd,=,4.9,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,,1MFE,,,,,,,
,,,MAN GLA ABE:A:1,valid,,,,,O(C1C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)OC1O)C1C(O)C(O)C(O)C(CO)O1,
,,1MFB,,,,,,,
,,,RAM MAN GLA ABE RAM MAN GLA:A:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(OC2C(O)C(OC3C(O)C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(C)O3)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,,1MFC,,,,,,,
,,,RAM MAN GLA ABE:A:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,1LO0,,,,,,,
,,,BC1:H:501,valid,,,,,CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O,
,,,BC1:Y:500,valid,,,,,CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O,
,,1LO3,,,,,,,
,,,AN1:H:501,valid,,,,,Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O,
,,,AN1:Y:500,valid,,,,,Cc1c2ccccc2c(c3c1cccc3)CCC(=O)O,
,,1LO2,,,,,,,
,,,OX1:H:501,valid,,,,,CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O,
,,,OX1:Y:500,valid,,,,,CC12c3ccccc3C(c4c1cccc4)(OO2)CCC(=O)O,
,Family. Representative Entry is ,4ZTD,,,,,,,
,,,ALA GLY ALA GLY ALA:F:461,valid,,,,,O=C(NCC(=O)NC(C(=O)NCC(=O)NC(C=O)C)C)C([NH3+])C,
,Family. Representative Entry is ,1FE8,,,,,,,
,,,CAC:L:1001,invalid,,,,,C[As](=O)(C)[O-],
,,,NAG:H:553,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:553,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,4JRB,,,,,,,
,,,D12:A:1304,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:1309,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:1308,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:1305,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:1306,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:1307,invalid,,,,,CCCCCCCCCCCC,
,,,CL:A:1302,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,PGT:A:1303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,Family. Representative Entry is ,3C6S,,,,,,,
,,,PD:A:215,Part of Protein,,,,,[Pd+2],
,,,RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC:L:1,valid,,,,,,
,,,RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC:K:1,valid,,,,,,
,,,RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC:J:1,valid,,,,,,
,,,RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC:I:1,valid,,,,,,
,,3BZ4,,,,,,,
,,,EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM:L:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3C(OC4C(OC5C(NC(=O)C)C(OC6C(O)C(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(O)C(C)O7)C(OC7C(O)C(O)C(O)C(CO)O7)C(C)O6)C(O)C(CO)O5)C(O)C(O)C(C)O4)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(C)O2)C(O)C(CO)OC1OC)C,
,,,EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM:K:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3C(OC4C(OC5C(NC(=O)C)C(OC6C(O)C(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(O)C(C)O7)C(OC7C(O)C(O)C(O)C(CO)O7)C(C)O6)C(O)C(CO)O5)C(O)C(O)C(C)O4)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(C)O2)C(O)C(CO)OC1OC)C,
,,,EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3C(OC4C(OC5C(NC(=O)C)C(OC6C(O)C(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(O)C(C)O7)C(OC7C(O)C(O)C(O)C(CO)O7)C(C)O6)C(O)C(CO)O5)C(O)C(O)C(C)O4)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(C)O2)C(O)C(CO)OC1OC)C,
,,,EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3C(OC4C(OC5C(NC(=O)C)C(OC6C(O)C(OC7C(OC8C(O)C(O)C(O)C(C)O8)C(O)C(O)C(C)O7)C(OC7C(O)C(O)C(O)C(CO)O7)C(C)O6)C(O)C(CO)O5)C(O)C(O)C(C)O4)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(C)O2)C(O)C(CO)OC1OC)C,
,,,PD:E:215,Part of Protein,,,,,[Pd+2],
,Family. Representative Entry is ,6NPR,,,,,,,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:R:1,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,,,ARG GLY PRO GLY ARG ALA PHE VAL THR ILE:P:1,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C)Cc1ccccc1)C(C)C)C(O)C,
,Family. Representative Entry is ,3BIB,,,,,,,
,,,NA:X:117,Part of Protein,,,,,[Na+],
,,,PSF:X:118,valid,ic50,=,4,mM,CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC,
,,3BIA,,,,,,,
,,,NA:X:117,Part of Protein,,,,,[Na+],
,,,TLA:X:118,valid,ic50,=,125,mM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5C0C,,,,,,,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:F:307,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:J:304,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:G:102,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:I:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,EDO:I:303,invalid,,,,,C(CO)O,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:J:307,invalid,,,,,C(CO)O,
,,,EDO:J:301,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:G:101,invalid,,,,,C(CO)O,
,,,EDO:J:306,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:J:302,invalid,,,,,C(CO)O,
,,,EDO:F:306,invalid,,,,,C(CO)O,
,,,EDO:F:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:J:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:F:301,invalid,,,,,C(CO)O,
,,,SO4:J:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:I:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc2ccccc2)CCC1)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(CC)C)C(C)C)C,
,,,ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc2ccccc2)CCC1)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(CC)C)C(C)C)C,
,,,GOL:F:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,5C09,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR LEU GLY GLY PRO ASP PHE PRO THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,,TYR LEU GLY GLY PRO ASP PHE PRO THR ILE:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,5C0A,,,,,,,
,,,EDO:I:201,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:H:101,invalid,,,,,C(CO)O,
,,,EDO:J:302,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:F:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:H:102,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:G:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,MET VAL TRP GLY PRO ASP PRO LEU TYR VAL:C:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])CCC1)Cc1c2c([nH]c1)cccc2)C(C)C)C,
,,,MET VAL TRP GLY PRO ASP PRO LEU TYR VAL:H:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc3ccc(O)cc3)CC(C)C)CCC2)CC(=O)[O-])CCC1)Cc1c2c([nH]c1)cccc2)C(C)C)C,
,,5C08,,,,,,,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:I:203,invalid,,,,,C(CO)O,
,,,EDO:I:204,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:I:205,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,EDO:I:201,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:J:301,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:G:101,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:J:302,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,EDO:I:202,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:F:301,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3c4c([nH]c3)cccc4)CCC2)CC(=O)[O-])CCC1)C)C)C(C)C,
,,,ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3c4c([nH]c3)cccc4)CCC2)CC(=O)[O-])CCC1)C)C)C(C)C,
,,,SO4:J:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5C0B,,,,,,,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:J:304,invalid,,,,,C(CO)O,
,,,EDO:G:102,invalid,,,,,C(CO)O,
,,,EDO:H:101,invalid,,,,,C(CO)O,
,,,EDO:I:305,invalid,,,,,C(CO)O,
,,,EDO:I:302,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:E:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:J:301,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:J:302,invalid,,,,,C(CO)O,
,,,EDO:G:104,invalid,,,,,C(CO)O,
,,,EDO:F:306,invalid,,,,,C(CO)O,
,,,EDO:F:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:J:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:E:307,invalid,,,,,C(CO)O,
,,,EDO:F:307,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:I:304,invalid,,,,,C(CO)O,
,,,EDO:I:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,EDO:I:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:E:309,invalid,,,,,C(CO)O,
,,,EDO:G:103,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:I:306,invalid,,,,,C(CO)O,
,,,EDO:G:101,invalid,,,,,C(CO)O,
,,,EDO:J:306,invalid,,,,,C(CO)O,
,,,EDO:E:310,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:F:301,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,SO4:F:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,PG4:J:308,invalid,,,,,C(COCCOCCOCCO)O,
,,,ARG GLN PHE GLY PRO ASP PHE PRO THR ILE:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,,ARG GLN PHE GLY PRO ASP PHE PRO THR ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(O)C)C(CC)C,
,,5C07,,,,,,,
,,,SO4:F:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:J:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:302,invalid,,,,,C(C(CO)O)O,
,,,TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(CC)C)C,
,,,TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2N(C(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc3ccc(O)cc3)CCC(=O)N)Cc3ccccc3)CCC2)CC(=O)[O-])Cc2ccccc2)CCC1)C(CC)C)C,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:G:102,invalid,,,,,C(CO)O,
,,,EDO:G:101,invalid,,,,,C(CO)O,
,,,EDO:E:301,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:I:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:J:303,invalid,,,,,C(CO)O,
,,,EDO:I:303,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2E27,,,,,,,
,,,AB0:H:6001,valid,Ka,=,2220000000,M^-1,COCO[C@H]1C[C@@H]2[C@H]([C@@H]([C@@H]3[C@@H](O2)CC=CCO3)O)O[C@@H]1CC(=O)O,
,,,DMS:H:7001,invalid,,,,,CS(=O)C,
,,,DMS:L:7002,invalid,,,,,CS(=O)C,
,,,GOL:H:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:5003,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:5005,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:5004,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1H8S,,,,,,,
,,,AIC:A:1000,valid,Kd,=,1.54,uM,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6DWI,,,,,,,
,,,CL:F:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:O:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:G:301,invalid,,,,,[Cl-],
,,,HD4:J:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,HD4:H:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,HD4:D:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,HD4:L:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,FLC:G:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:J:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1M7D,,,,,,,
,,,MAG RAE RAM:C:1,valid,Ka,=,1700000,M^-1,,
,,1M7I,,,,,,,
,,,RAO NAG RAM RAM RAM:C:1,valid,Ka,=,250000,M^-1,,
,,1PZ5,,,,,,,
,,,MET ASP TRP ASN MET HIS ALA ALA:C:1,valid,Kd,=,4,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)C)Cc1nc[nH]c1)CCSC)CC(=O)N)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])C,
,Family. Representative Entry is ,1W72,,,,,,,
,,,GLU ALA ASP PRO THR GLY HIS SER TYR:C:1,valid,Kd,=,14,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CC(=O)[O-])CCC1)C(O)C)Cc1nc[nH]c1)CO)Cc1ccc(O)cc1,
,,,GLU ALA ASP PRO THR GLY HIS SER TYR:F:1,valid,Kd,=,14,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CC(=O)[O-])CCC1)C(O)C)Cc1nc[nH]c1)CO)Cc1ccc(O)cc1,
,,,GOL:A:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1229,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1212,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2HXW,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3L1N,,,,,,,
,,,PLM:A:161,valid,Kd,=,6.34,uM,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1OAU,,,,,,,
,,,DNF SER:H:501,valid,Kd,=,20,nM,,
,,,IMD:L:200,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:N:200,invalid,,,,,c1c[nH+]c[nH]1,
,,,SER DNF:J:500,valid,Kd,=,20,nM,O=[N+]([O-])c1c(NC(C(=O)[O-])CO)ccc([N+](=O)[O-])c1,
,,1OAR,,,,,,,
,,,AZN:H:500,valid,Kd,=,40,nM,c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O,
,,,AZN:I:500,valid,Kd,=,40,nM,c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O,
,,,AZN:J:500,valid,Kd,=,40,nM,c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O,
,,,AZN:K:500,valid,Kd,=,40,nM,c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O,
,,,CAC:H:201,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:J:201,invalid,,,,,C[As](=O)(C)[O-],
,,,CL:L:911,invalid,,,,,[Cl-],
,,,CL:L:912,invalid,,,,,[Cl-],
,,,CL:L:913,invalid,,,,,[Cl-],
,,,CL:M:913,invalid,,,,,[Cl-],
,,,CL:N:911,invalid,,,,,[Cl-],
,,,CL:J:912,invalid,,,,,[Cl-],
,,,CL:N:913,invalid,,,,,[Cl-],
,,,CL:O:913,invalid,,,,,[Cl-],
,,,DMS:H:300,invalid,,,,,CS(=O)C,
,,,DMS:H:301,invalid,,,,,CS(=O)C,
,,,DMS:H:302,invalid,,,,,CS(=O)C,
,,,DMS:H:303,invalid,,,,,CS(=O)C,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,DMS:H:305,invalid,,,,,CS(=O)C,
,,,DMS:H:306,invalid,,,,,CS(=O)C,
,,,DMS:J:300,invalid,,,,,CS(=O)C,
,,,DMS:J:301,invalid,,,,,CS(=O)C,
,,,DMS:J:302,invalid,,,,,CS(=O)C,
,,,DMS:J:303,invalid,,,,,CS(=O)C,
,,,DMS:J:304,invalid,,,,,CS(=O)C,
,,,DMS:J:305,invalid,,,,,CS(=O)C,
,,,DMS:J:306,invalid,,,,,CS(=O)C,
,,,DMS:L:300,invalid,,,,,CS(=O)C,
,,,DMS:L:301,invalid,,,,,CS(=O)C,
,,,DMS:L:302,invalid,,,,,CS(=O)C,
,,,DMS:L:303,invalid,,,,,CS(=O)C,
,,,DMS:L:304,invalid,,,,,CS(=O)C,
,,,DMS:N:300,invalid,,,,,CS(=O)C,
,,,DMS:N:301,invalid,,,,,CS(=O)C,
,,,DMS:N:302,invalid,,,,,CS(=O)C,
,,,DMS:N:303,invalid,,,,,CS(=O)C,
,,,DMS:N:304,invalid,,,,,CS(=O)C,
,,,EDO:H:401,invalid,,,,,C(CO)O,
,,,EDO:J:401,invalid,,,,,C(CO)O,
,,,NA:H:903,Part of Protein,,,,,[Na+],
,,,NA:I:903,Part of Protein,,,,,[Na+],
,,,NA:J:903,Part of Protein,,,,,[Na+],
,,,NA:L:901,Part of Protein,,,,,[Na+],
,,,NA:M:903,Part of Protein,,,,,[Na+],
,,,NA:N:901,Part of Protein,,,,,[Na+],
,,2BJM,,,,,,,
,,,ANF:H:500,valid,Ka,<,100000,M^-1,c1ccc2c(c1)cc3ccccc3c2O,
,,1A6V,,,,,,,
,,,NPC:H:432,valid,,,,,c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O,
,,,NPC:H:433,valid,,,,,c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O,
,,,NPC:H:430,valid,,,,,c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)[O-])O,
,,1A6W,,,,,,,
,,,NIP:H:430,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-],
,Family. Representative Entry is ,5T85,,,,,,,
,,,44G:L:301,valid,,,,,CCCCCC(=O)OC[C@@H](COP(=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC,
,,,PGE:L:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:201,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,1XF2,,,,,,,
,,,DT  DT  DT:T:1,valid,,,,,,
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2OMN,,,,,,,
,,,IPH:B:401,valid,,,,,c1ccc(cc1)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6X42,,,,,,,
,,,CL:X:903,invalid,,,,,[Cl-],
,,,CA:X:901,Part of Protein,,,,,[Ca+2],
,,,CA:X:902,Part of Protein,,,,,[Ca+2],
,,,EDO:X:905,invalid,,,,,C(CO)O,
,,,EDO:X:906,invalid,,,,,C(CO)O,
,,,I3C:X:904,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,Family. Representative Entry is ,4K3H,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:201,invalid,,,,,C(C(CO)O)O,
,,,1OM:E:201,valid,Kd,=,90,pM,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O,
,,,1OM:D:201,valid,Kd,=,90,pM,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O,
,,,1OM:A:201,valid,Kd,=,90,pM,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O,
,,,1OM:G:201,valid,Kd,=,90,pM,CN(C)c1ccc(cc1)C(c2ccc(cc2)N(C)C)c3ccc(cc3)O,
,,,MAN:D:203,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:204,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:H:203,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2YKL,,,,,,,
,,,NLD:H:1213,valid,,,,,CCNC(=O)CCC(=O)OC[C@@H]1CCN([C@H]1c2cccnc2)C,
,,2YK1,,,,,,,
,,,NCT:H:300,valid,Kd,=,7.4,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,Family. Representative Entry is ,1G1T,,,,,,,
,,,CA:A:160,Part of Protein,,,,,[Ca+2],
,,,MAG FUC GAL SIA:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1OC)C,
,Family. Representative Entry is ,5J6H,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NCA:A:402,valid,,,,,c1cc(cnc1)C(=O)N,
,,,VAL GLY ILE THR ASN VAL ASP LEU:F:1,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])C(C)C)CC(=O)N)C(O)C)C(CC)C)C([NH3+])C(C)C,
,Family. Representative Entry is ,6MQE,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:D:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,4L4J,,,,,,,
,,,NAG NAG BMA MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG FUC BMA MAN MAN NAG:C:1,invalid,,,,,,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6DF1,,,,,,,
,,,LEU PTR LEU:A:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C([NH3+])CC(C)C)C=O)cc1)([O-])[O-],
,Family. Representative Entry is ,6D4A,,,,,,,
,,,FVP:A:203,valid,Kd,=,118,uM,Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O,
,,,FVP:B:202,valid,Kd,=,118,uM,Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6D49,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,FVP:B:206,valid,Kd,=,118,uM,Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O,
,,,FVP:A:205,valid,Kd,=,118,uM,Cc1cc(cc(c1O)C)C(=O)NC[C@H]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)O,
,Family. Representative Entry is ,1E4X,,,,,,,
,,,VAL VAL SER HIS PHE ASN ASP:P:1,valid,Kd,=,25,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)C(C)C)CO)Cc1nc[nH]c1)Cc1ccccc1)CC(=O)N)CC(=O)[O-],
,,,VAL VAL SER HIS PHE ASN ASP:Q:1,valid,Kd,=,25,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)C(C)C)CO)Cc1nc[nH]c1)Cc1ccccc1)CC(=O)N)CC(=O)[O-],
,Family. Representative Entry is ,1NGP,,,,,,,
,,,NPA:H:302,valid,,,,,c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O,
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4JFF,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:A:301,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:E:301,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLU LEU ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,Kd,=,600,pM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,6TMO,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:E:305,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:E:306,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:A:310,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,GLU ALA ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,Kd,=,0.75,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,4JFD,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:301,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,GLU LEU ALA ALA ILE GLY ILE LEU THR VAL:C:1,valid,Kd,=,36,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,Family. Representative Entry is ,1KJV,,,,,,,
,,,ASN PRO ARG ALA MET GLN ALA LEU LEU:P:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(=O)N)CCC1)CCCNC(=[NH2+])N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C)C)CCC(=O)N)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3KYO,,,,,,,
,,,CO:B:100,Part of Protein,,,,,[Co+2],
,,,CO:D:100,Part of Protein,,,,,[Co+2],
,,,LYS LEU PRO ALA GLN PHE TYR ILE LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)CCC1)C)CCC(=O)N)Cc1ccccc1)Cc1ccc(O)cc1)C(CC)C)CC(C)C,
,,,LYS LEU PRO ALA GLN PHE TYR ILE LEU:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)CCC1)C)CCC(=O)N)Cc1ccccc1)Cc1ccc(O)cc1)C(CC)C)CC(C)C,
,,1YDP,,,,,,,
,,,ARG ILE ILE PRO ARG HIS LEU GLN LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C)C(CC)C)CCC1)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)CCC(=O)N)CC(C)C,
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,CO:B:1001,Part of Protein,,,,,[Co+2],
,,3KYN,,,,,,,
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CO:B:100,Part of Protein,,,,,[Co+2],
,,,LYS GLY PRO PRO ALA ALA LEU THR LEU:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C([NH3+])CCCC[NH3+])CCC2)CCC1)C)C)CC(C)C)C(O)C)CC(C)C,
,Family. Representative Entry is ,1KEG,,,,,,,
,,,DT  64T DT  DT:A:1,valid,,,,,P(=O)(OCC1OC2N3C(=O)NC(=O)C(O)(C)C3C=3C(C)=CN(C(=O)N=3)C3OC(C(OP(=O)(OCC4C(O)CC(N5C(=O)NC(=O)C(C)=C5)O4)[O-])C3)COP(=O)([O-])OC1C2)(OC1C(CO)OC(N2C(=O)NC(=O)C(C)=C2)C1)[O-],
,,,NI:L:213,Part of Protein,,,,,[Ni+2],
,,1EHL,,,,,,,
,,,5HT DT:A:1,valid,,,,,O=P1([O-])OC2C(CO)OC(N3C(=O)NC(=O)C(O)(C)C3C=3C(C)=CN(C(=O)N=3)C3OC(C(O)C3)CO1)C2,
,Family. Representative Entry is ,3LN9,,,,,,,
,,,FLC:A:136,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:137,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:138,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:139,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:140,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1C1E,,,,,,,
,,,ENH:H:703,valid,,,,,CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,
,,,MLT:L:702,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1CLY,,,,,,,
,,,NAG NON FUC GAL FUC:A:1,valid,,,,,O=C(OC)CCCCCCCCOC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,3QDJ,,,,,,,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,,6D78,,,,,,,
,,,ALA ALA GLY ILE GLY ILE LEU THR VAL:C:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C)CC(C)C)C(O)C)C(C)C,
,Family. Representative Entry is ,1CT8,,,,,,,
,,,SO4:A:540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAA:B:550,valid,Kd,=,0.3,uM,c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F,
,,,TAA:D:551,valid,Kd,=,0.3,uM,c1cc(ccc1C[P@](=O)(O)O[C@H](c2ccc(cc2)[N+](=O)[O-])[C@@H](CO)NC(C(Cl)Cl)O)NC(=O)C(F)(F)F,
,Family. Representative Entry is ,1CE1,,,,,,,
,,,GLY THR SER SER PRO SER ALA ASP:P:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])C)CO)CCC1)CO)CO)C(NC(=O)C)C(O)C,
,Family. Representative Entry is ,6DW2,,,,,,,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:B:301,invalid,,,,,[Na+],
,,,HD4:B:304,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO)O)O,
,,,MLA:B:303,invalid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,1T66,,,,,,,
,,,FLU:C:301,valid,,,,,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,,FLU:L:300,valid,,,,,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,Family. Representative Entry is ,3GHB,,,,,,,
,,,SO4:H:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA:P:305,valid,,,,,,
,,,LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA:Q:305,valid,,,,,,
,Family. Representative Entry is ,6NFU,,,,,,,
,,,1EM:C:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC,
,,,F09:A:2001,invalid,,,,,CCCCCCCCCO,
,,,K:C:1003,Part of Protein,,,,,[K+],
,,,K:C:1002,invalid,,,,,[K+],
,,,K:C:1004,Part of Protein,,,,,[K+],
,,,K:C:1005,invalid,,,,,[K+],
,,4UUJ,,,,,,,
,,,K:C:1125,Part of Protein,,,,,[K+],
,,,K:C:1126,Part of Protein,,,,,[K+],
,,,K:C:1127,Part of Protein,,,,,[K+],
,,,K:C:1128,Part of Protein,,,,,[K+],
,,,XA7:C:1132,valid,,,,,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,
,,,XA7:C:1131,valid,,,,,CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC,
,,,F09:C:1135,invalid,,,,,CCCCCCCCCO,
,,,F09:C:1136,invalid,,,,,CCCCCCCCCO,
,,,F09:C:1134,invalid,,,,,CCCCCCCCCO,
,,,F09:A:1220,invalid,,,,,CCCCCCCCCO,
,,,DGA:C:1129,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PO4:C:1133,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CO:C:1130,Part of Protein,,,,,[Co+2],
,,,IND:B:1213,invalid,,,,,c1ccc2c(c1)cc[nH]2,
,,6NFV,,,,,,,
,,,K:C:202,Part of Protein,,,,,[K+],
,,,K:C:204,invalid,,,,,[K+],
,,,K:C:203,Part of Protein,,,,,[K+],
,,,K:C:205,invalid,,,,,[K+],
,,,1EM:C:201,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCC,
,,,F09:A:301,invalid,,,,,CCCCCCCCCO,
,,2DWE,,,,,,,
,,,F09:C:202,invalid,,,,,CCCCCCCCCO,
,,,L2C:C:201,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCC,
,,,RB:C:3001,invalid,,,,,[Rb+],
,,,RB:C:3002,invalid,,,,,[Rb+],
,,,RB:C:3003,invalid,,,,,[Rb+],
,,,TBA:C:4001,valid,,,,,CCCC[N+](CCCC)(CCCC)CCCC,
,Family. Representative Entry is ,6J2F,,,,,,,
,,,ASP TYR ILE ASN THR ASN VAL LEU PRO:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)C(C)C)CC(=O)N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccc(O)cc1)C(CC)C)CC(=O)N)C(O)C,
,,,ASP TYR ILE ASN THR ASN VAL LEU PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)C(C)C)CC(=O)N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccc(O)cc1)C(CC)C)CC(=O)N)C(O)C,
,,6J2D,,,,,,,
,,,ASP PHE ALA ASN THR PHE LEU PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)C)CC(=O)N)C(O)C,
,,6ILC,,,,,,,
,,,ASP PHE ALA ASN THR PHE LEU PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)C)CC(=O)N)C(O)C,
,Family. Representative Entry is ,3IFL,,,,,,,
,,,ASP ALA GLU PHE ARG HIS ASP:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,,3IFO,,,,,,,
,,,ASP ALA GLU PHE ARG HIS ASP:P:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,,,ASP ALA GLU PHE ARG HIS ASP:Q:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,Family. Representative Entry is ,2CGR,,,,,,,
,,,GAS:H:215,valid,Kd,=,53,nM,c1ccc(cc1)C(c2ccccc2)NC(=NCC(=O)O)Nc3ccc(cc3)C#N,
,,1YNK,,,,,,,
,,,SC5:H:501,valid,,,,,C[C@H](c1ccccc1)NC(NCC(O)O)Nc2ccc(cc2)CN,
,Family. Representative Entry is ,1I7Z,,,,,,,
,,,COC:A:301,valid,Kd,=,0.4,uM,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,,,COC:C:302,valid,Kd,=,0.4,uM,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,Family. Representative Entry is ,1MI5,,,,,,,
,,,PHE LEU ARG GLY ARG ALA TYR GLY LEU:C:1,valid,Kd,~,10,uM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)Cc1ccc(O)cc1)CC(C)C,
,Family. Representative Entry is ,3VXS,,,,,,,
,,,ARG TYR PRO LEU THR LEU GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)CC(C)C)Cc1c2c([nH]c1)cccc2)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,,3VXR,,,,,,,
,,,ARG TYR PRO LEU THR PHE GLY TRP CYS PHE:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)CC(C)C)C(O)C)Cc1ccccc1)Cc1c2c([nH]c1)cccc2)C(=O)NC(C=O)Cc1ccccc1,
,Family. Representative Entry is ,4F8L,,,,,,,
,,,BR:A:233,invalid,,,,,[Br-],
,,,BR:A:216,invalid,,,,,[Br-],
,,,BR:A:206,invalid,,,,,[Br-],
,,,BR:A:213,invalid,,,,,[Br-],
,,,BR:A:207,invalid,,,,,[Br-],
,,,BR:A:232,invalid,,,,,[Br-],
,,,BR:A:205,invalid,,,,,[Br-],
,,,BR:A:231,invalid,,,,,[Br-],
,,,BR:A:225,invalid,,,,,[Br-],
,,,BR:A:234,invalid,,,,,[Br-],
,,,BR:A:212,invalid,,,,,[Br-],
,,,BR:A:227,invalid,,,,,[Br-],
,,,BR:A:215,invalid,,,,,[Br-],
,,,BR:A:209,invalid,,,,,[Br-],
,,,BR:A:211,invalid,,,,,[Br-],
,,,BR:A:219,invalid,,,,,[Br-],
,,,BR:A:204,invalid,,,,,[Br-],
,,,BR:A:208,invalid,,,,,[Br-],
,,,BR:A:238,invalid,,,,,[Br-],
,,,BR:A:229,invalid,,,,,[Br-],
,,,BR:A:230,invalid,,,,,[Br-],
,,,BR:A:214,invalid,,,,,[Br-],
,,,BR:A:218,invalid,,,,,[Br-],
,,,BR:A:217,invalid,,,,,[Br-],
,,,BR:A:221,invalid,,,,,[Br-],
,,,BR:A:224,invalid,,,,,[Br-],
,,,BR:A:228,invalid,,,,,[Br-],
,,,BR:A:203,invalid,,,,,[Br-],
,,,BR:A:237,invalid,,,,,[Br-],
,,,BR:A:210,invalid,,,,,[Br-],
,,,BR:A:220,invalid,,,,,[Br-],
,,,BR:A:226,invalid,,,,,[Br-],
,,,BR:A:223,invalid,,,,,[Br-],
,,,BR:A:236,invalid,,,,,[Br-],
,,,BR:A:222,invalid,,,,,[Br-],
,,,BR:A:202,invalid,,,,,[Br-],
,,,AES:A:239,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,GAI:A:235,invalid,,,,,C(=N)(N)N,
,,,GAL:A:201,valid,ic50,~,40,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLY:A:240,invalid,,,,,C(C(=O)O)N,
,,,MLI:A:241,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4F8P,,,,,,,
,,,TBF:A:203,invalid,,,,,CC(C)(C)OC=O,
,,,GAL:A:201,valid,ic50,~,40,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:201,valid,ic50,~,40,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,4F8O,,,,,,,
,,,GAI:A:203,invalid,,,,,C(=N)(N)N,
,,,GAI:A:202,invalid,,,,,C(=N)(N)N,
,,,AES:A:205,invalid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4F8N,,,,,,,
,,,GAI:A:201,invalid,,,,,C(=N)(N)N,
,,,PC:A:202,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,GAL:A:204,valid,ic50,~,40,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,5LN4,,,,,,,
,,,CHT:B:202,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:201,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:201,valid,,,,,C[N+](C)(C)CCO,
,Family. Representative Entry is ,2O5Z,,,,,,,
,,,ANO:H:501,valid,Kd,=,110,mM,C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:322,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,35C8,,,,,,,
,,,NOX:L:212,valid,,,,,c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(=O)O,
,,25C8,,,,,,,
,,,GEP:L:212,valid,,,,,C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)O,
,Family. Representative Entry is ,4IA6,,,,,,,
,,,MRD:A:601,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:B:612,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:610,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:A:611,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:611,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,MES:A:615,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:602,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:603,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NO3:B:610,invalid,,,,,[N+](=O)([O-])[O-],
,,,NA:A:609,Part of Protein,,,,,[Na+],
,,,NA:A:614,Part of Protein,,,,,[Na+],
,,,K:A:617,Part of Protein,,,,,[K+],
,,,K:B:613,Part of Protein,,,,,[K+],
,,,TRS:B:607,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EIC:A:608,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1FL3,,,,,,,
,,,SPB:A:226,valid,Kd,=,0.16,uM,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,,SPB:L:225,valid,Kd,=,0.16,uM,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,3CFB,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:406,invalid,,,,,C(C(CO)O)O,
,,,SPB:B:302,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,,SPB:L:301,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,1UB5,,,,,,,
,,,SPB:B:701,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,,,SPB:H:601,valid,,,,,c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O,
,Family. Representative Entry is ,2RDG,,,,,,,
,,,CIT:A:608,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,K:A:605,Part of Protein,,,,,[K+],
,,,K:A:606,Part of Protein,,,,,[K+],
,,,K:A:607,Part of Protein,,,,,[K+],
,,,NDG FUC GAL SIA:B:1,valid,Kd,=,0.72,uM,,
,Family. Representative Entry is ,1IND,,,,,,,
,,,EOT:H:801,valid,Ka,=,11000000000,M^-1,c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCO,
,,,IN:H:800,invalid,,,,,[In+3],
,Family. Representative Entry is ,6ID4,,,,,,,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,ALA ILE PHE GLN SER SER MET THR LYS:U:1,valid,Kd,=,0.000000064,M,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,,ALA ILE PHE GLN SER SER MET THR LYS:T:1,valid,Kd,=,0.000000064,M,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1ccccc1)CCC(=O)N)CO)CO)C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])C(O)C)C,
,,,PEG:E:403,invalid,,,,,C(COCCO)O,
,,,PEG:F:801,invalid,,,,,C(COCCO)O,
,,,PEG:E:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:101,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4G9F,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LYS ARG TRP ILE ILE MET GLY LEU ASN LYS:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)N)CC(C)C)C,
,,4G8G,,,,,,,
,,,LYS ARG TRP ILE ILE LEU GLY LEU ASN LYS:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(CC)C)C(CC)C)CC(C)C)CC(C)C)CC(=O)N)CCCC[NH3+],
,Family. Representative Entry is ,1ZEA,,,,,,,
,,,CIT:L:1001,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:L:1002,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DVA DPR GLY DSN DGN DHI DTY DAS DSN:A:1,valid,Kd,=,6,uM,,
,Family. Representative Entry is ,6VRN,,,,,,,
,,,HIS MET THR GLU VAL VAL ARG HIS CYS:P:1,valid,,,,,S(CCC(NC(=O)C([NH3+])Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CS)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(C)C)C(C)C)CCC(=O)[O-])C(O)C)C,
,Family. Representative Entry is ,1MEX,,,,,,,
,,,RAC:H:601,valid,,,,,CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O)O,
,Family. Representative Entry is ,2BRS,,,,,,,
,,,SO4:A:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1120,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1121,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1120,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SGN IDU:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,Family. Representative Entry is ,1UM5,,,,,,,
,,,SS1:H:1001,valid,,,,,C[C@@H](c1ccccc1)O,
,,1UM4,,,,,,,
,,,SH4:H:1001,valid,,,,,C[C@@H](c1ccccc1)OP(=O)(Cc2ccc(cc2)NC(=O)C)[O-],
,Family. Representative Entry is ,1VPO,,,,,,,
,,,TES:H:1010,valid,Kd,=,0.000000064,M,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,1C5C,,,,,,,
,,,GOL:H:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:2002,invalid,,,,,C(C(CO)O)O,
,,,TK4:L:1001,valid,Kd,=,110,nM,CC(=O)Nc1ccc2c(c1S(=O)(=O)O)cccc2S(=O)(=O)O,
,Family. Representative Entry is ,3T0X,,,,,,,
,,,DIW:A:201,valid,,,,,CC1(c2ccccc2N(/C1=C/C=C/c3cc[n+](c4c3cccc4)CCCS(=O)(=O)O)C)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1MJJ,,,,,,,
,,,HAL:A:1001,valid,Kd,=,1.83,nM,c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O,
,,,HAL:H:1002,valid,Kd,=,1.83,nM,c1ccc(cc1)CCNC(=O)CO[P@@](=O)([C@@H](Cc2ccccc2)NC(=O)CCCC(=O)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VKX,,,,,,,
,,,CL:A:268,invalid,,,,,[Cl-],
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T3:A:301,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,Family. Representative Entry is ,2PCP,,,,,,,
,,,1PC:B:227,valid,Kd,=,2,nM,c1ccc(cc1)C2(CCCCC2)N3CCCCC3,
,,,1PC:C:212,valid,Kd,=,2,nM,c1ccc(cc1)C2(CCCCC2)N3CCCCC3,
,Family. Representative Entry is ,4L4V,,,,,,,
,,,1VY:C:301,valid,Kd,=,1.65,uM,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,1VY:A:301,valid,Kd,=,1.65,uM,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,6PVD,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NA:E:301,Part of Protein,,,,,[Na+],
,,,ACT:H:301,invalid,,,,,CC(=O)[O-],
,,,N18:A:301,valid,Kd,=,200,uM,COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1,
,,,N18:C:301,valid,Kd,=,200,uM,COC(=O)CCNC(=O)C1=CC(=O)NC(=O)N1,
,,4NQD,,,,,,,
,,,2LJ:A:301,valid,,,,,CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,2LJ:C:301,valid,,,,,CC/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,4LCW,,,,,,,
,,,1VY:C:301,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,1VY:A:302,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,6PVC,,,,,,,
,,,NA:D:101,Part of Protein,,,,,[Na+],
,,,GOL:D:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,ACT:H:301,invalid,,,,,CC(=O)[O-],
,,,P1J:A:402,valid,Kd,=,172,uM,C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O,
,,,P1J:C:301,valid,Kd,=,172,uM,C1=C(NC(=O)NC1=O)C(=O)NCCC(=O)O,
,Family. Representative Entry is ,1D6V,,,,,,,
,,,CD:L:501,invalid,,,,,[Cd+2],
,,,CD:L:502,invalid,,,,,[Cd+2],
,,,CD:L:503,invalid,,,,,[Cd+2],
,,,CD:L:504,invalid,,,,,[Cd+2],
,,,HOP:H:401,valid,Kd,=,670,nM,c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)O)c3ccc(cc3)C(=O)NCCCC(=O)O,
,Family. Representative Entry is ,1Q0Y,,,,,,,
,,,MOI:H:401,valid,Kd,~,1,nM,C[N@]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)O,
,,,SO4:H:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6IDG,,,,,,,
,,,64T 5PY:A:1,valid,Kd,=,0.000000064,M,,
,Family. Representative Entry is ,1IGJ,,,,,,,
,,,DGX:B:228,valid,Kd,=,0.1,nM,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,
,,,DGX:D:228,valid,Kd,=,0.1,nM,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,
,Family. Representative Entry is ,1TMC,,,,,,,
,,,GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS:C:1,valid,,,,,,
,Family. Representative Entry is ,1UZ8,,,,,,,
,,,MAG FUC GAL:C:1,valid,Ka,=,93000,M^-1,,
,,,MAG FUC GAL:D:1,valid,Ka,=,93000,M^-1,,
,Family. Representative Entry is ,6RPB,,,,,,,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:M:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:H:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,,,SER LEU LEU MET TRP ILE THR GLN VAL:R:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)N)C(O)C)C(CC)C)Cc1c2c([nH]c1)cccc2)C,
,Family. Representative Entry is ,3LEX,,,,,,,
,,,LEU LEU GLU LEU ASP LYS TRP ALA NH2:C:660,valid,Kd,=,6.44,nM,,
,,,LEU LEU GLU LEU ASP LYS TRP ALA NH2:P:660,valid,Kd,=,6.44,nM,,
,,1RUM,,,,,,,
,,,BEZ:H:1601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:1611,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1612,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1613,invalid,,,,,C(C(CO)O)O,
,,1ND0,,,,,,,
,,,DP4:A:401,valid,,,,,C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-],
,,,DP4:C:402,valid,,,,,C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-],
,,,DP4:E:403,valid,,,,,C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-],
,,,DP4:G:404,valid,,,,,C[N+]1(CCC(CC1)[Si](C)(C)c2ccccc2)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LEY,,,,,,,
,,,LEU LEU GLU LEU ASP LYS TRP ALA NH2:P:660,valid,,,,,,
,,,ZN:H:222,Part of Protein,,,,,[Zn+2],
,,,ZN:H:223,Part of Protein,,,,,[Zn+2],
,,,ZN:L:233,Part of Protein,,,,,[Zn+2],
,,1RUP,,,,,,,
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:614,invalid,,,,,C(C(CO)O)O,
,,1RU9,,,,,,,
,,,ACT:H:611,invalid,,,,,CC(=O)[O-],
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:623,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:624,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:625,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:622,invalid,,,,,C(C(CO)O)O,
,,1RUL,,,,,,,
,,,ACT:L:611,invalid,,,,,CC(=O)[O-],
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:623,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:624,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:621,invalid,,,,,C(C(CO)O)O,
,,1RUK,,,,,,,
,,,ACT:L:611,invalid,,,,,CC(=O)[O-],
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:623,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:624,invalid,,,,,C(C(CO)O)O,
,,1NCW,,,,,,,
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:614,invalid,,,,,C(C(CO)O)O,
,,1RUA,,,,,,,
,,,ACT:L:611,invalid,,,,,CC(=O)[O-],
,,,BEZ:H:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:H:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:623,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:621,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6BE3,,,,,,,
,,,NAG:H:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6BE4,,,,,,,
,,,NAG NAG NAG NAG NAG:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
6.2.1.32,,,,,,,,,
,Family. Representative Entry is ,5OE4,,,,,,,
,,,3UK:A:900,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,3UK:B:900,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,5OE6,,,,,,,
,,,9SN:A:900,valid,,,,,c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,9SN:D:900,valid,,,,,c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,9SN:C:900,valid,,,,,c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,9SN:B:900,valid,,,,,c1cc(c(c(c1)F)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,PGE:C:901,invalid,,,,,C(COCCOCCO)O,
,,5OE5,,,,,,,
,,,3UK:A:900,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,PEG:A:901,invalid,,,,,C(COCCO)O,
,,,PEG:A:902,invalid,,,,,C(COCCO)O,
,,5OE3,,,,,,,
,,,3UK:C:502,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,3UK:A:501,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,3UK:B:900,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,3UK:D:900,valid,,,,,c1ccc(c(c1)C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,EDO:D:905,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:D:904,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:D:902,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:D:903,invalid,,,,,C(CO)O,
,,,PEG:C:501,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:C:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:D:901,invalid,,,,,C(COCCO)O,
,,,PEG:C:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:C:503,invalid,,,,,C(COCCO)O,
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,,PGE:D:906,invalid,,,,,C(COCCOCCO)O,
,,,ACT:B:905,invalid,,,,,CC(=O)[O-],
3.4.-.-,,,,,,,,,
,Family. Representative Entry is ,5JOG,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,6LT:A:302,valid,ic50,=,0.0058,uM,CC(C)n1c(cc(n1)C(F)F)C(=O)Nc2ccc(c(c2)c3ccccc3)[C@H]4[C@H](CCCc5n4cnc5)O,
,,5M5Q,,,,,,,
,,,7K1:A:302,valid,ic50,=,0.09,uM,Cc1ccc(c(c1)c2ccccc2)c3c(c4cccnc4[nH]3)CCC(=O)N5CCOC[C@H]5c6[nH]c7ccccc7n6,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5JOH,,,,,,,
,,,6M3:A:302,valid,ic50,=,1.1,uM,c1ccc(c(c1)c2cc(ccc2[C@H]3[C@H](CCCc4n3cnc4)O)C#N)Cl,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6TWK,,,,,,,
,,,P4B:A:401,valid,,,,,C[C@@H](N[C@H](CCN)C(=O)O)O,
,,,4CS:B:401,valid,,,,,CC1=N[C@@H](CCN1)C(=O)O,
,,6YO9,,,,,,,
,,,P4B:A:402,valid,,,,,C[C@@H](N[C@H](CCN)C(=O)O)O,
,,,P4B:A:403,valid,,,,,C[C@@H](N[C@H](CCN)C(=O)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5NJ9,,,,,,,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:D:706,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,MES:D:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ASP ARG VAL TYR:F:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC)C(C)C)Cc1ccc(O)cc1,
,,,ASP ARG VAL TYR:E:601,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC)C(C)C)Cc1ccc(O)cc1,
,,5NJC,,,,,,,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:D:706,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,VAL LEU GLU ASP ARG ILE:E:600,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CC)CC(=O)[O-])CCC)C(CC)C,
,,,VAL LEU GLU ASP ARG ILE:F:600,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CC)CC(=O)[O-])CCC)C(CC)C,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,MES:D:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,5NJB,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:D:902,invalid,,,,,C(CO)O,
,,,EDO:D:903,invalid,,,,,C(CO)O,
,,,EDO:D:901,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:D:904,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,BB2:C:502,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:A:502,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,5NJF,,,,,,,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:D:706,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ALA ALA ALA ALA ALA:F:601,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA ALA:E:601,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C)C([NH3+])C,
,,5NJA,,,,,,,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:D:706,Part of Protein,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,HIS PRO PHE:E:602,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2nc[nH]c2)CCC1)Cc1ccccc1,
,,,HIS PRO PHE:F:602,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2nc[nH]c2)CCC1)Cc1ccccc1,
,,,MES:D:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5LRT,,,,,,,
,,,PGE:A:608,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:609,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,NA:A:611,Part of Protein,,,,,[Na+],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,P6G:A:607,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6S1Z,,,,,,,
,,,KS8:A:704,valid,ic50,=,1.5,nM,c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O)C3CCCCC3)O,
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6S1Y,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:709,Part of Protein,,,,,[Zn+2],
,,,KSN:A:710,valid,,,,,C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N,
1.13.11.73,,,,,,,,,
,Family. Representative Entry is ,6B9T,,,,,,,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:G:501,Part of Protein,,,,,[Fe+3],
,,,FE:H:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:E:501,Part of Protein,,,,,[Fe+3],
,,,FE:F:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,invalid,,,,,[Fe+3],
,,,FMT:C:503,invalid,,,,,C(=O)O,
,,,FMT:E:503,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:F:503,invalid,,,,,C(=O)O,
,,,FMT:G:503,invalid,,,,,C(=O)O,
,,,2HE:D:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:H:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:A:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:F:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:E:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:C:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:G:502,valid,,,,,C(CP(=O)(O)O)O,
,,,2HE:B:503,valid,,,,,C(CP(=O)(O)O)O,
4.1.1.39,,,,,,,,,
,Family. Representative Entry is ,1UWA,,,,,,,
,,,CAP:A:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:K:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:K:507,invalid,,,,,C(CO)O,
,,,EDO:E:506,invalid,,,,,C(CO)O,
,,,EDO:H:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:T:202,invalid,,,,,C(CO)O,
,,,EDO:H:508,invalid,,,,,C(CO)O,
,,,EDO:J:201,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:R:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:P:201,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:E:504,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:K:506,invalid,,,,,C(CO)O,
,,,EDO:O:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:O:503,invalid,,,,,C(CO)O,
,,,EDO:O:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:V:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:K:504,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:F:201,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:K:505,invalid,,,,,C(CO)O,
,,,EDO:V:506,invalid,,,,,C(CO)O,
,,,EDO:R:506,invalid,,,,,C(CO)O,
,,,EDO:M:201,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:O:504,invalid,,,,,C(CO)O,
,,,EDO:H:503,invalid,,,,,C(CO)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:R:503,invalid,,,,,C(CO)O,
,,,EDO:J:202,invalid,,,,,C(CO)O,
,,,EDO:I:202,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:H:507,invalid,,,,,C(CO)O,
,,,EDO:E:507,invalid,,,,,C(CO)O,
,,,EDO:K:503,invalid,,,,,C(CO)O,
,,,EDO:R:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:V:504,invalid,,,,,C(CO)O,
,,,EDO:H:504,invalid,,,,,C(CO)O,
,,,EDO:E:503,invalid,,,,,C(CO)O,
,,,EDO:R:505,invalid,,,,,C(CO)O,
,,,EDO:I:201,invalid,,,,,C(CO)O,
,,,EDO:O:505,invalid,,,,,C(CO)O,
,,,EDO:V:505,invalid,,,,,C(CO)O,
,,,EDO:P:202,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:T:201,invalid,,,,,C(CO)O,
,,,EDO:R:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:H:505,invalid,,,,,C(CO)O,
,,,EDO:V:507,invalid,,,,,C(CO)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,,MG:H:501,Part of Protein,,,,,[Mg+2],
,,,MG:K:501,Part of Protein,,,,,[Mg+2],
,,,MG:O:501,Part of Protein,,,,,[Mg+2],
,,,MG:R:501,Part of Protein,,,,,[Mg+2],
,,,MG:V:501,Part of Protein,,,,,[Mg+2],
,,1UW9,,,,,,,
,,,CAP:A:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:1476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:1478,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:1476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:1478,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:1476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:B:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1141,invalid,,,,,C(CO)O,
,,,EDO:C:1142,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:E:1482,invalid,,,,,C(CO)O,
,,,EDO:H:1477,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:H:1482,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1477,invalid,,,,,C(CO)O,
,,,EDO:K:1478,invalid,,,,,C(CO)O,
,,,EDO:K:1479,invalid,,,,,C(CO)O,
,,,EDO:K:1480,invalid,,,,,C(CO)O,
,,,EDO:K:1481,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1479,invalid,,,,,C(CO)O,
,,,EDO:O:1480,invalid,,,,,C(CO)O,
,,,EDO:O:1481,invalid,,,,,C(CO)O,
,,,EDO:O:1482,invalid,,,,,C(CO)O,
,,,EDO:O:1483,invalid,,,,,C(CO)O,
,,,EDO:O:1484,invalid,,,,,C(CO)O,
,,,EDO:P:1141,invalid,,,,,C(CO)O,
,,,EDO:P:1142,invalid,,,,,C(CO)O,
,,,EDO:R:1479,invalid,,,,,C(CO)O,
,,,EDO:R:1480,invalid,,,,,C(CO)O,
,,,EDO:R:1481,invalid,,,,,C(CO)O,
,,,EDO:R:1482,invalid,,,,,C(CO)O,
,,,EDO:T:1141,invalid,,,,,C(CO)O,
,,,EDO:T:1142,invalid,,,,,C(CO)O,
,,,EDO:V:1478,invalid,,,,,C(CO)O,
,,,EDO:V:1479,invalid,,,,,C(CO)O,
,,,EDO:V:1480,invalid,,,,,C(CO)O,
,,,EDO:V:1481,invalid,,,,,C(CO)O,
,,,EDO:V:1482,invalid,,,,,C(CO)O,
,,,EDO:W:1141,invalid,,,,,C(CO)O,
,,,EDO:W:1142,invalid,,,,,C(CO)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:B:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1476,Part of Protein,,,,,[Mg+2],
,,,MG:K:1476,Part of Protein,,,,,[Mg+2],
,,,MG:O:1477,Part of Protein,,,,,[Mg+2],
,,,MG:R:1477,Part of Protein,,,,,[Mg+2],
,,,MG:V:1477,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V68,,,,,,,
,,,CAP:A:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1484,invalid,,,,,C(CO)O,
,,,EDO:B:1477,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1477,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1482,invalid,,,,,C(CO)O,
,,,EDO:D:1477,invalid,,,,,C(CO)O,
,,,EDO:D:1478,invalid,,,,,C(CO)O,
,,,EDO:D:1480,invalid,,,,,C(CO)O,
,,,EDO:D:1481,invalid,,,,,C(CO)O,
,,,EDO:E:1476,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:F:1479,invalid,,,,,C(CO)O,
,,,EDO:F:1480,invalid,,,,,C(CO)O,
,,,EDO:F:1481,invalid,,,,,C(CO)O,
,,,EDO:F:1482,invalid,,,,,C(CO)O,
,,,EDO:F:1483,invalid,,,,,C(CO)O,
,,,EDO:F:1484,invalid,,,,,C(CO)O,
,,,EDO:G:1476,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1476,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:H:1482,invalid,,,,,C(CO)O,
,,,EDO:H:1483,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:I:1142,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1141,invalid,,,,,C(CO)O,
,,,EDO:K:1142,invalid,,,,,C(CO)O,
,,,EDO:L:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1141,invalid,,,,,C(CO)O,
,,,EDO:O:1142,invalid,,,,,C(CO)O,
,,,EDO:P:1141,invalid,,,,,C(CO)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:F:476,Part of Protein,,,,,[Mg+2],
,,,MG:G:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3KDN,,,,,,,
,,,CAP:A:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:I:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:J:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:C:500,Part of Protein,,,,,[Mg+2],
,,,MG:D:500,Part of Protein,,,,,[Mg+2],
,,,MG:E:500,Part of Protein,,,,,[Mg+2],
,,,MG:F:500,Part of Protein,,,,,[Mg+2],
,,,MG:G:500,Part of Protein,,,,,[Mg+2],
,,,MG:H:500,Part of Protein,,,,,[Mg+2],
,,,MG:I:500,Part of Protein,,,,,[Mg+2],
,,,MG:J:500,Part of Protein,,,,,[Mg+2],
,,3A12,,,,,,,
,,,CAP:A:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:I:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:J:446,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:445,Part of Protein,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:C:445,Part of Protein,,,,,[Mg+2],
,,,MG:D:445,Part of Protein,,,,,[Mg+2],
,,,MG:E:445,Part of Protein,,,,,[Mg+2],
,,,MG:F:445,Part of Protein,,,,,[Mg+2],
,,,MG:G:445,Part of Protein,,,,,[Mg+2],
,,,MG:H:445,Part of Protein,,,,,[Mg+2],
,,,MG:I:445,Part of Protein,,,,,[Mg+2],
,,,MG:J:445,Part of Protein,,,,,[Mg+2],
,,3KDO,,,,,,,
,,,CAP:A:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:I:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:J:600,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:C:500,Part of Protein,,,,,[Mg+2],
,,,MG:D:500,Part of Protein,,,,,[Mg+2],
,,,MG:E:500,Part of Protein,,,,,[Mg+2],
,,,MG:F:500,Part of Protein,,,,,[Mg+2],
,,,MG:G:500,Part of Protein,,,,,[Mg+2],
,,,MG:H:500,Part of Protein,,,,,[Mg+2],
,,,MG:I:500,Part of Protein,,,,,[Mg+2],
,,,MG:J:500,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1RBO,,,,,,,
,,,CAP:B:476,valid,Kd,=,0.19,pM,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:476,valid,Kd,=,0.19,pM,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:476,valid,Kd,=,0.19,pM,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:L:476,valid,Kd,=,0.19,pM,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,8RUC,,,,,,,
,,,CAP:A:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:G:476,Part of Protein,,,,,[Mg+2],
,,1UPM,,,,,,,
,,,CA:B:476,Part of Protein,,,,,[Ca+2],
,,,CA:E:476,Part of Protein,,,,,[Ca+2],
,,,CA:H:476,Part of Protein,,,,,[Ca+2],
,,,CA:K:476,Part of Protein,,,,,[Ca+2],
,,,CA:L:476,Part of Protein,,,,,[Ca+2],
,,,CA:O:476,Part of Protein,,,,,[Ca+2],
,,,CA:R:476,Part of Protein,,,,,[Ca+2],
,,,CA:V:476,Part of Protein,,,,,[Ca+2],
,,,CAP:B:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:K:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:L:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,1AA1,,,,,,,
,,,3PG:B:477,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:478,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:E:477,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:E:478,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:H:477,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:H:478,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:L:477,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:L:478,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,,,MG:L:476,Part of Protein,,,,,[Mg+2],
,,1RCO,,,,,,,
,,,XDP:B:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:E:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:H:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:K:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:L:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:O:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:R:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,,XDP:V:476,valid,,,,,C([C@H]([C@@H](C(COP(=O)(O)O)(O)O)O)O)OP(=O)(O)O,
,,1RXO,,,,,,,
,,,CA:B:477,Part of Protein,,,,,[Ca+2],
,,,CA:E:477,Part of Protein,,,,,[Ca+2],
,,,CA:H:477,Part of Protein,,,,,[Ca+2],
,,,CA:L:477,Part of Protein,,,,,[Ca+2],
,,,RUB:B:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:E:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:H:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:L:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,1UPP,,,,,,,
,,,CA:A:476,Part of Protein,,,,,[Ca+2],
,,,CA:C:476,Part of Protein,,,,,[Ca+2],
,,,CA:E:476,Part of Protein,,,,,[Ca+2],
,,,CA:G:476,Part of Protein,,,,,[Ca+2],
,,,CAP:A:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,1RCX,,,,,,,
,,,RUB:B:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:E:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:H:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:K:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:L:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:O:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:R:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:V:476,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1IR1,,,,,,,
,,,CAP:A:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6URA,,,,,,,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,CAP:A:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1BWV,,,,,,,
,,,CAP:A:491,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:491,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:491,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:491,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:490,Part of Protein,,,,,[Mg+2],
,,,MG:C:490,Part of Protein,,,,,[Mg+2],
,,,MG:E:490,Part of Protein,,,,,[Mg+2],
,,,MG:G:490,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V63,,,,,,,
,,,CAP:A:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1475,invalid,,,,,C(CO)O,
,,,EDO:B:1476,invalid,,,,,C(CO)O,
,,,EDO:B:1477,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1475,invalid,,,,,C(CO)O,
,,,EDO:C:1476,invalid,,,,,C(CO)O,
,,,EDO:C:1477,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1479,invalid,,,,,C(CO)O,
,,,EDO:D:1475,invalid,,,,,C(CO)O,
,,,EDO:D:1476,invalid,,,,,C(CO)O,
,,,EDO:D:1477,invalid,,,,,C(CO)O,
,,,EDO:D:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1475,invalid,,,,,C(CO)O,
,,,EDO:E:1476,invalid,,,,,C(CO)O,
,,,EDO:E:1477,invalid,,,,,C(CO)O,
,,,EDO:F:1475,invalid,,,,,C(CO)O,
,,,EDO:F:1476,invalid,,,,,C(CO)O,
,,,EDO:G:1475,invalid,,,,,C(CO)O,
,,,EDO:G:1476,invalid,,,,,C(CO)O,
,,,EDO:G:1477,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1479,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1475,invalid,,,,,C(CO)O,
,,,EDO:H:1476,invalid,,,,,C(CO)O,
,,,EDO:H:1477,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1141,invalid,,,,,C(CO)O,
,,,EDO:K:1142,invalid,,,,,C(CO)O,
,,,EDO:L:1141,invalid,,,,,C(CO)O,
,,,EDO:L:1142,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1142,invalid,,,,,C(CO)O,
,,,EDO:N:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1141,invalid,,,,,C(CO)O,
,,,EDO:O:1142,invalid,,,,,C(CO)O,
,,,EDO:P:1141,invalid,,,,,C(CO)O,
,,,MG:A:477,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:F:476,Part of Protein,,,,,[Mg+2],
,,,MG:G:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3AXK,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,MG:A:478,Part of Protein,,,,,[Mg+2],
,,,MG:B:478,Part of Protein,,,,,[Mg+2],
,,,NDP:A:479,valid,Ki,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:480,valid,Ki,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5N9Z,,,,,,,
,,,CAP:C:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:A:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:O:201,invalid,,,,,C(CO)O,
,,,EDO:M:202,invalid,,,,,C(CO)O,
,,,EDO:L:201,invalid,,,,,C(CO)O,
,,,EDO:K:201,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:M:201,invalid,,,,,C(CO)O,
,,,EDO:O:202,invalid,,,,,C(CO)O,
,,,EDO:I:202,invalid,,,,,C(CO)O,
,,,EDO:I:203,invalid,,,,,C(CO)O,
,,,EDO:O:203,invalid,,,,,C(CO)O,
,,,EDO:M:203,invalid,,,,,C(CO)O,
,,,EDO:P:201,invalid,,,,,C(CO)O,
,,,EDO:J:201,invalid,,,,,C(CO)O,
,,,EDO:K:204,invalid,,,,,C(CO)O,
,,,EDO:J:202,invalid,,,,,C(CO)O,
,,,EDO:N:201,invalid,,,,,C(CO)O,
,,,EDO:I:204,invalid,,,,,C(CO)O,
,,,EDO:K:203,invalid,,,,,C(CO)O,
,,,EDO:K:202,invalid,,,,,C(CO)O,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:G:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,MG:H:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:I:201,invalid,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:N:202,invalid,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,5MZ2,,,,,,,
,,,EDO:O:201,invalid,,,,,C(CO)O,
,,,EDO:M:204,invalid,,,,,C(CO)O,
,,,EDO:L:203,invalid,,,,,C(CO)O,
,,,EDO:M:202,invalid,,,,,C(CO)O,
,,,EDO:L:201,invalid,,,,,C(CO)O,
,,,EDO:J:204,invalid,,,,,C(CO)O,
,,,EDO:K:201,invalid,,,,,C(CO)O,
,,,EDO:I:205,invalid,,,,,C(CO)O,
,,,EDO:O:202,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:I:202,invalid,,,,,C(CO)O,
,,,EDO:L:202,invalid,,,,,C(CO)O,
,,,EDO:I:203,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:P:201,invalid,,,,,C(CO)O,
,,,EDO:M:203,invalid,,,,,C(CO)O,
,,,EDO:J:203,invalid,,,,,C(CO)O,
,,,EDO:J:201,invalid,,,,,C(CO)O,
,,,EDO:J:202,invalid,,,,,C(CO)O,
,,,EDO:N:201,invalid,,,,,C(CO)O,
,,,EDO:I:204,invalid,,,,,C(CO)O,
,,,EDO:F:903,invalid,,,,,C(CO)O,
,,,CAP:H:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:A:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:902,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,MG:G:901,Part of Protein,,,,,[Mg+2],
,,,MG:E:901,Part of Protein,,,,,[Mg+2],
,,,MG:M:201,invalid,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:F:901,Part of Protein,,,,,[Mg+2],
,,,MG:I:201,invalid,,,,,[Mg+2],
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:H:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1UZD,,,,,,,
,,,CAP:A:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:K:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:B:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1135,invalid,,,,,C(CO)O,
,,,EDO:C:1136,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:E:1482,invalid,,,,,C(CO)O,
,,,EDO:F:1135,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:I:1135,invalid,,,,,C(CO)O,
,,,EDO:J:1135,invalid,,,,,C(CO)O,
,,,EDO:K:1478,invalid,,,,,C(CO)O,
,,,EDO:K:1479,invalid,,,,,C(CO)O,
,,,EDO:K:1480,invalid,,,,,C(CO)O,
,,,EDO:K:1481,invalid,,,,,C(CO)O,
,,,EDO:K:1482,invalid,,,,,C(CO)O,
,,,EDO:M:1135,invalid,,,,,C(CO)O,
,,,EDO:O:1478,invalid,,,,,C(CO)O,
,,,EDO:O:1479,invalid,,,,,C(CO)O,
,,,EDO:O:1480,invalid,,,,,C(CO)O,
,,,EDO:O:1481,invalid,,,,,C(CO)O,
,,,EDO:O:1482,invalid,,,,,C(CO)O,
,,,EDO:O:1483,invalid,,,,,C(CO)O,
,,,EDO:P:1135,invalid,,,,,C(CO)O,
,,,EDO:R:1478,invalid,,,,,C(CO)O,
,,,EDO:R:1479,invalid,,,,,C(CO)O,
,,,EDO:R:1480,invalid,,,,,C(CO)O,
,,,EDO:R:1481,invalid,,,,,C(CO)O,
,,,EDO:R:1482,invalid,,,,,C(CO)O,
,,,EDO:R:1483,invalid,,,,,C(CO)O,
,,,EDO:R:1484,invalid,,,,,C(CO)O,
,,,EDO:T:1135,invalid,,,,,C(CO)O,
,,,EDO:T:1136,invalid,,,,,C(CO)O,
,,,EDO:V:1478,invalid,,,,,C(CO)O,
,,,EDO:V:1479,invalid,,,,,C(CO)O,
,,,EDO:V:1480,invalid,,,,,C(CO)O,
,,,EDO:V:1481,invalid,,,,,C(CO)O,
,,,EDO:V:1482,invalid,,,,,C(CO)O,
,,,EDO:V:1483,invalid,,,,,C(CO)O,
,,,EDO:W:1135,invalid,,,,,C(CO)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:B:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1476,Part of Protein,,,,,[Mg+2],
,,,MG:K:1476,Part of Protein,,,,,[Mg+2],
,,,MG:O:1476,Part of Protein,,,,,[Mg+2],
,,,MG:R:1476,Part of Protein,,,,,[Mg+2],
,,,MG:V:1476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3AXM,,,,,,,
,,,6PG:A:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:C:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:D:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:E:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:F:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:G:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:H:479,valid,Ki,=,8.5,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:478,Part of Protein,,,,,[Mg+2],
,,,MG:B:478,Part of Protein,,,,,[Mg+2],
,,,MG:C:478,Part of Protein,,,,,[Mg+2],
,,,MG:D:478,Part of Protein,,,,,[Mg+2],
,,,MG:E:478,Part of Protein,,,,,[Mg+2],
,,,MG:F:478,Part of Protein,,,,,[Mg+2],
,,,MG:G:478,Part of Protein,,,,,[Mg+2],
,,,MG:H:478,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1IR2,,,,,,,
,,,CAP:A:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:S:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:T:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:U:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:W:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:X:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:Y:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:Z:501,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:U:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:U:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:V:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:V:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:Y:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:Y:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:Y:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:Z:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:Z:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:Z:619,invalid,,,,,C(C(CO)O)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:F:476,Part of Protein,,,,,[Mg+2],
,,,MG:G:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,,,MG:S:476,Part of Protein,,,,,[Mg+2],
,,,MG:T:476,Part of Protein,,,,,[Mg+2],
,,,MG:U:476,Part of Protein,,,,,[Mg+2],
,,,MG:V:476,Part of Protein,,,,,[Mg+2],
,,,MG:W:476,Part of Protein,,,,,[Mg+2],
,,,MG:X:476,Part of Protein,,,,,[Mg+2],
,,,MG:Y:476,Part of Protein,,,,,[Mg+2],
,,,MG:Z:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V67,,,,,,,
,,,CAP:A:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:B:1476,invalid,,,,,C(CO)O,
,,,EDO:B:1477,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1476,invalid,,,,,C(CO)O,
,,,EDO:C:1477,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1479,invalid,,,,,C(CO)O,
,,,EDO:C:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1481,invalid,,,,,C(CO)O,
,,,EDO:D:1476,invalid,,,,,C(CO)O,
,,,EDO:D:1477,invalid,,,,,C(CO)O,
,,,EDO:D:1478,invalid,,,,,C(CO)O,
,,,EDO:D:1479,invalid,,,,,C(CO)O,
,,,EDO:D:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1476,invalid,,,,,C(CO)O,
,,,EDO:E:1477,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:F:1476,invalid,,,,,C(CO)O,
,,,EDO:F:1477,invalid,,,,,C(CO)O,
,,,EDO:F:1478,invalid,,,,,C(CO)O,
,,,EDO:F:1479,invalid,,,,,C(CO)O,
,,,EDO:F:1480,invalid,,,,,C(CO)O,
,,,EDO:G:1476,invalid,,,,,C(CO)O,
,,,EDO:G:1477,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1479,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:G:1481,invalid,,,,,C(CO)O,
,,,EDO:H:1476,invalid,,,,,C(CO)O,
,,,EDO:H:1477,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1141,invalid,,,,,C(CO)O,
,,,EDO:K:1142,invalid,,,,,C(CO)O,
,,,EDO:L:1141,invalid,,,,,C(CO)O,
,,,EDO:L:1142,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1142,invalid,,,,,C(CO)O,
,,,EDO:N:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1141,invalid,,,,,C(CO)O,
,,,EDO:O:1142,invalid,,,,,C(CO)O,
,,,EDO:P:1141,invalid,,,,,C(CO)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:C:476,Part of Protein,,,,,[Mg+2],
,,,MG:D:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:F:476,Part of Protein,,,,,[Mg+2],
,,,MG:G:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1UZH,,,,,,,
,,,CAP:A:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:K:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:O:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:R:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:V:477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1476,invalid,,,,,C(CO)O,
,,,EDO:B:1477,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1123,invalid,,,,,C(CO)O,
,,,EDO:E:1476,invalid,,,,,C(CO)O,
,,,EDO:E:1477,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:F:1123,invalid,,,,,C(CO)O,
,,,EDO:H:1476,invalid,,,,,C(CO)O,
,,,EDO:H:1477,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:J:1123,invalid,,,,,C(CO)O,
,,,EDO:K:1476,invalid,,,,,C(CO)O,
,,,EDO:K:1477,invalid,,,,,C(CO)O,
,,,EDO:K:1478,invalid,,,,,C(CO)O,
,,,EDO:K:1479,invalid,,,,,C(CO)O,
,,,EDO:K:1480,invalid,,,,,C(CO)O,
,,,EDO:M:1123,invalid,,,,,C(CO)O,
,,,EDO:O:1476,invalid,,,,,C(CO)O,
,,,EDO:O:1477,invalid,,,,,C(CO)O,
,,,EDO:O:1478,invalid,,,,,C(CO)O,
,,,EDO:O:1479,invalid,,,,,C(CO)O,
,,,EDO:O:1480,invalid,,,,,C(CO)O,
,,,EDO:P:1123,invalid,,,,,C(CO)O,
,,,EDO:R:1476,invalid,,,,,C(CO)O,
,,,EDO:R:1477,invalid,,,,,C(CO)O,
,,,EDO:R:1478,invalid,,,,,C(CO)O,
,,,EDO:R:1479,invalid,,,,,C(CO)O,
,,,EDO:R:1480,invalid,,,,,C(CO)O,
,,,EDO:T:1123,invalid,,,,,C(CO)O,
,,,EDO:V:1476,invalid,,,,,C(CO)O,
,,,EDO:V:1477,invalid,,,,,C(CO)O,
,,,EDO:V:1478,invalid,,,,,C(CO)O,
,,,EDO:V:1479,invalid,,,,,C(CO)O,
,,,EDO:V:1480,invalid,,,,,C(CO)O,
,,,EDO:V:1481,invalid,,,,,C(CO)O,
,,,EDO:W:1123,invalid,,,,,C(CO)O,
,,,MG:A:476,Part of Protein,,,,,[Mg+2],
,,,MG:B:476,Part of Protein,,,,,[Mg+2],
,,,MG:E:476,Part of Protein,,,,,[Mg+2],
,,,MG:H:476,Part of Protein,,,,,[Mg+2],
,,,MG:K:476,Part of Protein,,,,,[Mg+2],
,,,MG:O:476,Part of Protein,,,,,[Mg+2],
,,,MG:R:476,Part of Protein,,,,,[Mg+2],
,,,MG:V:476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VDH,,,,,,,
,,,CAP:A:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:B:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1479,invalid,,,,,C(CO)O,
,,,EDO:C:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1483,invalid,,,,,C(CO)O,
,,,EDO:D:1478,invalid,,,,,C(CO)O,
,,,EDO:D:1479,invalid,,,,,C(CO)O,
,,,EDO:D:1480,invalid,,,,,C(CO)O,
,,,EDO:D:1481,invalid,,,,,C(CO)O,
,,,EDO:D:1482,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:E:1482,invalid,,,,,C(CO)O,
,,,EDO:E:1483,invalid,,,,,C(CO)O,
,,,EDO:F:1478,invalid,,,,,C(CO)O,
,,,EDO:F:1479,invalid,,,,,C(CO)O,
,,,EDO:F:1480,invalid,,,,,C(CO)O,
,,,EDO:F:1481,invalid,,,,,C(CO)O,
,,,EDO:F:1482,invalid,,,,,C(CO)O,
,,,EDO:F:1483,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1479,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:G:1481,invalid,,,,,C(CO)O,
,,,EDO:G:1482,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:H:1482,invalid,,,,,C(CO)O,
,,,EDO:H:1483,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1141,invalid,,,,,C(CO)O,
,,,EDO:K:1142,invalid,,,,,C(CO)O,
,,,EDO:L:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1142,invalid,,,,,C(CO)O,
,,,EDO:N:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1141,invalid,,,,,C(CO)O,
,,,EDO:O:1142,invalid,,,,,C(CO)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:B:1476,Part of Protein,,,,,[Mg+2],
,,,MG:C:1476,Part of Protein,,,,,[Mg+2],
,,,MG:D:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:1476,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,MG:G:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1GK8,,,,,,,
,,,CAP:A:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1484,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1479,invalid,,,,,C(CO)O,
,,,EDO:C:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1482,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:E:1482,invalid,,,,,C(CO)O,
,,,EDO:E:1483,invalid,,,,,C(CO)O,
,,,EDO:E:1484,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1479,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:G:1481,invalid,,,,,C(CO)O,
,,,EDO:G:1482,invalid,,,,,C(CO)O,
,,,EDO:G:1483,invalid,,,,,C(CO)O,
,,,EDO:I:1127,invalid,,,,,C(CO)O,
,,,EDO:I:1128,invalid,,,,,C(CO)O,
,,,EDO:K:1127,invalid,,,,,C(CO)O,
,,,EDO:K:1128,invalid,,,,,C(CO)O,
,,,EDO:M:1127,invalid,,,,,C(CO)O,
,,,EDO:M:1128,invalid,,,,,C(CO)O,
,,,EDO:O:1127,invalid,,,,,C(CO)O,
,,,EDO:O:1128,invalid,,,,,C(CO)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:C:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:1476,Part of Protein,,,,,[Mg+2],
,,,MG:G:1476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1RBL,,,,,,,
,,,CAP:A:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:476,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,FMT:A:478,invalid,,,,,C(=O)O,
,,,FMT:B:478,invalid,,,,,C(=O)O,
,,,FMT:C:478,invalid,,,,,C(=O)O,
,,,FMT:D:478,invalid,,,,,C(=O)O,
,,,FMT:E:478,invalid,,,,,C(=O)O,
,,,FMT:F:478,invalid,,,,,C(=O)O,
,,,FMT:G:478,invalid,,,,,C(=O)O,
,,,FMT:H:478,invalid,,,,,C(=O)O,
,,,MG:A:477,Part of Protein,,,,,[Mg+2],
,,,MG:B:477,Part of Protein,,,,,[Mg+2],
,,,MG:C:477,Part of Protein,,,,,[Mg+2],
,,,MG:D:477,Part of Protein,,,,,[Mg+2],
,,,MG:E:477,Part of Protein,,,,,[Mg+2],
,,,MG:F:477,Part of Protein,,,,,[Mg+2],
,,,MG:G:477,Part of Protein,,,,,[Mg+2],
,,,MG:H:477,Part of Protein,,,,,[Mg+2],
,,1RSC,,,,,,,
,,,XBP:A:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:B:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:C:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:D:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:E:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:F:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:G:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,XBP:H:476,valid,,,,,C([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1WDD,,,,,,,
,,,CAP:A:1001,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:2001,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3015,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3017,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3005,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3009,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3011,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3013,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3014,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3016,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:3008,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:2476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V6A,,,,,,,
,,,CAP:A:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:C:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:1477,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1484,invalid,,,,,C(CO)O,
,,,EDO:B:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:B:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1481,invalid,,,,,C(CO)O,
,,,EDO:B:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1478,invalid,,,,,C(CO)O,
,,,EDO:C:1479,invalid,,,,,C(CO)O,
,,,EDO:C:1480,invalid,,,,,C(CO)O,
,,,EDO:C:1481,invalid,,,,,C(CO)O,
,,,EDO:C:1482,invalid,,,,,C(CO)O,
,,,EDO:C:1483,invalid,,,,,C(CO)O,
,,,EDO:D:1478,invalid,,,,,C(CO)O,
,,,EDO:D:1479,invalid,,,,,C(CO)O,
,,,EDO:D:1480,invalid,,,,,C(CO)O,
,,,EDO:D:1481,invalid,,,,,C(CO)O,
,,,EDO:D:1482,invalid,,,,,C(CO)O,
,,,EDO:E:1478,invalid,,,,,C(CO)O,
,,,EDO:E:1479,invalid,,,,,C(CO)O,
,,,EDO:E:1480,invalid,,,,,C(CO)O,
,,,EDO:E:1481,invalid,,,,,C(CO)O,
,,,EDO:F:1478,invalid,,,,,C(CO)O,
,,,EDO:F:1479,invalid,,,,,C(CO)O,
,,,EDO:F:1480,invalid,,,,,C(CO)O,
,,,EDO:F:1481,invalid,,,,,C(CO)O,
,,,EDO:F:1482,invalid,,,,,C(CO)O,
,,,EDO:F:1483,invalid,,,,,C(CO)O,
,,,EDO:G:1478,invalid,,,,,C(CO)O,
,,,EDO:G:1479,invalid,,,,,C(CO)O,
,,,EDO:G:1480,invalid,,,,,C(CO)O,
,,,EDO:G:1481,invalid,,,,,C(CO)O,
,,,EDO:G:1482,invalid,,,,,C(CO)O,
,,,EDO:H:1478,invalid,,,,,C(CO)O,
,,,EDO:H:1479,invalid,,,,,C(CO)O,
,,,EDO:H:1480,invalid,,,,,C(CO)O,
,,,EDO:H:1481,invalid,,,,,C(CO)O,
,,,EDO:H:1482,invalid,,,,,C(CO)O,
,,,EDO:I:1141,invalid,,,,,C(CO)O,
,,,EDO:I:1142,invalid,,,,,C(CO)O,
,,,EDO:J:1141,invalid,,,,,C(CO)O,
,,,EDO:J:1142,invalid,,,,,C(CO)O,
,,,EDO:K:1141,invalid,,,,,C(CO)O,
,,,EDO:K:1142,invalid,,,,,C(CO)O,
,,,EDO:L:1141,invalid,,,,,C(CO)O,
,,,EDO:L:1142,invalid,,,,,C(CO)O,
,,,EDO:M:1141,invalid,,,,,C(CO)O,
,,,EDO:M:1142,invalid,,,,,C(CO)O,
,,,EDO:N:1141,invalid,,,,,C(CO)O,
,,,EDO:N:1142,invalid,,,,,C(CO)O,
,,,EDO:O:1141,invalid,,,,,C(CO)O,
,,,EDO:O:1142,invalid,,,,,C(CO)O,
,,,EDO:P:1141,invalid,,,,,C(CO)O,
,,,EDO:P:1142,invalid,,,,,C(CO)O,
,,,MG:A:1476,Part of Protein,,,,,[Mg+2],
,,,MG:B:1476,Part of Protein,,,,,[Mg+2],
,,,MG:C:1476,Part of Protein,,,,,[Mg+2],
,,,MG:D:1476,Part of Protein,,,,,[Mg+2],
,,,MG:E:1476,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,MG:G:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1476,Part of Protein,,,,,[Mg+2],
4.1.3.17,,,,,,,,,
,Family. Representative Entry is ,3NOJ,,,,,,,
,,,MG:A:239,Part of Protein,,,,,[Mg+2],
,,,PG4:A:241,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:242,invalid,,,,,C(COCCOCCOCCO)O,
,,,PYR:A:240,valid,,,,,CC(=O)C(=O)O,
1.12.5.1,,,,,,,,,
,Family. Representative Entry is ,5Y34,,,,,,,
,,,GOL:C:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,14108_14109_14110_14111_14112_14113_:C:703,invalid,,,,,,
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,14107_:C:703,Part of Protein,,,,,,
,,,SF4:D:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,F3S:B:302,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:302,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,SF3:B:301,invalid,,,,,S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe],
,,,SF3:D:301,invalid,,,,,S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe],
,,,3NI O FCO :C:702,valid,,,,,,
,,,3NI O FCO :A:601,valid,,,,,,
,,,14061_:A:602,Part of Protein,,,,,,
,,,14062_14063_14064_14065_14066_14067_:A:602,invalid,,,,,,
1.2.1.5,,,,,,,,,
,Family. Representative Entry is ,3SZB,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:B:701,invalid,,,,,CC(=O)[O-],
,,,I1E:A:1001,valid,,,,,CCC(=O)c1ccccc1,
,,,I1E:B:1001,valid,,,,,CCC(=O)c1ccccc1,
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:B:603,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1EZ0,,,,,,,
,,,NAP:A:650,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:850,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:950,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1EYY,,,,,,,
,,,NAP:A:650,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:850,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:950,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.1.1.158,,,,,,,,,
,Family. Representative Entry is ,2MBR,,,,,,,
,,,EPU:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1MBB,,,,,,,
,,,EEB:A:402,valid,,,,,CCC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1UXY,,,,,,,
,,,EPU:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4JB1,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4JAY,,,,,,,
,,,K:C:401,Part of Protein,,,,,[K+],
,,,K:A:1004,Part of Protein,,,,,[K+],
,,,K:B:401,Part of Protein,,,,,[K+],
,,,K:D:401,Part of Protein,,,,,[K+],
,,,FAD:C:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:C:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,B3P:B:404,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:C:404,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:D:404,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:1003,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,1HSK,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2GQT,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2GQU,,,,,,,
,,,EPU:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.5.1.82,,,,,,,,,
,Family. Representative Entry is ,3GIQ,,,,,,,
,,,G01:A:481,valid,,,,,C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O,
,,,G01:B:481,valid,,,,,C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O)O,
,,,ZN:A:482,Part of Protein,,,,,[Zn+2],
,,,ZN:A:483,Part of Protein,,,,,[Zn+2],
,,,ZN:B:482,Part of Protein,,,,,[Zn+2],
,,,ZN:B:483,Part of Protein,,,,,[Zn+2],
1.1.99.8,,,,,,,,,
,Family. Representative Entry is ,1G72,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:C:703,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,4AAH,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:C:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,1W6S,,,,,,,
,,,CA:A:1599,Part of Protein,,,,,[Ca+2],
,,,CA:C:3599,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1597,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1598,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3598,invalid,,,,,C(C(CO)O)O,
,,,PQQ:A:1596,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:C:3597,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,1H4I,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:601,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:C:601,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,2D0V,,,,,,,
,,,CA:A:775,Part of Protein,,,,,[Ca+2],
,,,CA:D:775,Part of Protein,,,,,[Ca+2],
,,,CA:I:775,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:601,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:D:601,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:I:601,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,1LRW,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:C:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
1.3.8.9,,,,,,,,,
,Family. Representative Entry is ,4Y9J,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UCC:A:702,valid,,,,,CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UCC:B:702,valid,,,,,CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4Y9L,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
6.1.1.10,,,,,,,,,
,Family. Representative Entry is ,2X1L,,,,,,,
,,,2HP:A:603,invalid,,,,,OP(=O)(O)[O-],
,,,2HP:B:603,invalid,,,,,OP(=O)(O)[O-],
,,,2HP:C:603,invalid,,,,,OP(=O)(O)[O-],
,,,ADN:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CXS:A:602,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:B:602,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:C:602,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,MET:A:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:C:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5V49,,,,,,,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,MET:A:800,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,8WA:B:801,valid,ic50,<,50,nM,CN(CCN[C@@H]1CCNc2c1cc(cc2Cl)Cl)c3[nH]c4ccc(nc4n3)Cl,
,,4ZT4,,,,,,,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,,4RO:B:803,valid,,,,,c1cc2c(nc1)nc([nH]2)NCC(CNCc3cc(cc(c3)Cl)Cl)(F)F,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MW1,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,44F:B:808,valid,,,,,COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccsc2,
,,,DMS:B:806,invalid,,,,,CS(=O)C,
,,,DMS:B:807,invalid,,,,,CS(=O)C,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,4MWE,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,DMS:B:805,invalid,,,,,CS(=O)C,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2EN:B:807,valid,,,,,C=CCc1cc(cc(c1OCC=C)CNCCCNC(=O)Nc2ccsc2)Cl,
,,,MET:A:809,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4ZT5,,,,,,,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:804,invalid,,,,,CS(=O)C,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,DMS:B:803,invalid,,,,,CS(=O)C,
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4RN:B:806,valid,,,,,C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2,
,,4ZT7,,,,,,,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,DMS:B:803,invalid,,,,,CS(=O)C,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,4RC:B:801,valid,,,,,c1cc(nc2c1nc([nH]2)NCCCN[C@@H]3CCNc4c3cc(cc4Cl)Cl)F,
,,4MVY,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,DMS:B:805,invalid,,,,,CS(=O)C,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,,387:B:806,valid,,,,,c1cc(cc(c1)O)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl,
,,5J59,,,,,,,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,N93:B:802,valid,ic50,<,50,nM,CN(CCNCc1cc(cc(c1)Cl)Cl)c2[nH]c3ccc(nc3n2)Cl,
,,,MET:A:800,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4MWB,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:808,invalid,,,,,CS(=O)C,
,,,DMS:B:805,invalid,,,,,CS(=O)C,
,,,DMS:B:804,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2EK:B:807,valid,,,,,c1cscc1NC(=O)NCCCNCc2cc(sc2Cl)Cl,
,,4MW0,,,,,,,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:807,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,,392:B:808,valid,,,,,c1ccc(c(c1)NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl)O,
,,4MW5,,,,,,,
,,,DMS:B:907,invalid,,,,,CS(=O)C,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,DMS:B:906,invalid,,,,,CS(=O)C,
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,415:B:909,valid,,,,,COc1cc(cc(c1)Cl)CNCCCNC(=O)Nc2ccccc2,
,,,SO4:B:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET:A:906,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4ZT6,,,,,,,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,,DMS:B:801,invalid,,,,,CS(=O)C,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,,4RD:B:802,valid,,,,,c1cc(nc2c1[nH]c(n2)NCCCN[C@@H]3CCOc4c3cc(cc4Cl)Cl)F,
,,4MW4,,,,,,,
,,,DMS:B:806,invalid,,,,,CS(=O)C,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,DMS:A:907,invalid,,,,,CS(=O)C,
,,,DMS:B:807,invalid,,,,,CS(=O)C,
,,,DMS:A:906,invalid,,,,,CS(=O)C,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,MET:A:909,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,2EB:B:810,valid,,,,,c1cscc1NC(=O)NCCCNCc2cc(cc(c2O)I)Cl,
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MW2,,,,,,,
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:813,invalid,,,,,CS(=O)C,
,,,DMS:A:810,invalid,,,,,CS(=O)C,
,,,DMS:B:807,invalid,,,,,CS(=O)C,
,,,DMS:A:811,invalid,,,,,CS(=O)C,
,,,DMS:A:812,invalid,,,,,CS(=O)C,
,,,MET:A:815,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,2E9:B:808,valid,,,,,C=CCc1cc(cc(c1O)CNCCCNC(=O)Nc2ccsc2)Cl,
,,4MWD,,,,,,,
,,,DMS:B:806,invalid,,,,,CS(=O)C,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,DMS:A:906,invalid,,,,,CS(=O)C,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACP:B:809,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,43E:B:808,valid,,,,,c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl,
,Family. Representative Entry is ,6SWX,,,,,,,
,,,LWN:A:801,valid,ic50,=,2.06,uM,Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=O)OC,
,,3KFL,,,,,,,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,FMT:A:821,invalid,,,,,C(=O)O,
,,,FMT:A:822,invalid,,,,,C(=O)O,
,,,FMT:A:823,invalid,,,,,C(=O)O,
,,,FMT:A:824,invalid,,,,,C(=O)O,
,,,ME8:A:801,valid,,,,,CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,POP:A:802,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1PFY,,,,,,,
,,,MSP:A:553,valid,ic50,~,7,nM,CSCC[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N,
,,,ZN:A:552,Part of Protein,,,,,[Zn+2],
,,1PFV,,,,,,,
,,,2FM:A:553,valid,,,,,C(CSC(F)F)[C@@H](C(=O)O)N,
,,,ZN:A:552,Part of Protein,,,,,[Zn+2],
,,1PG2,,,,,,,
,,,ADN:A:552,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6SPR,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,B3M:A:702,valid,Kd,=,0.56,mM,CSCC[C@@H](CC(=O)O)N,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:704,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:703,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1PFU,,,,,,,
,,,MPJ:A:553,valid,Kd,=,1900,uM,CSCC[C@H](N)[P@H](=O)O,
,,,ZN:A:552,Part of Protein,,,,,[Zn+2],
,,1F4L,,,,,,,
,,,MET:A:601,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3H9B,,,,,,,
,,,CIT:A:603,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:604,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NOT:A:602,valid,,,,,C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1PFW,,,,,,,
,,,MF3:A:553,valid,,,,,C(CSC(F)(F)F)[C@@H](C(=O)O)N,
,,,ZN:A:552,Part of Protein,,,,,[Zn+2],
,,1PG0,,,,,,,
,,,MOD:A:553,valid,Kd,~,1,uM,CSCC[C@@H](CO[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(NC=NC32)N)O)O)N,
,,6SPO,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MET:A:606,valid,Kd,=,0.05,mM,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CIT:A:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3H99,,,,,,,
,,,CIT:A:603,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:604,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MET:A:602,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1P7P,,,,,,,
,,,MPH:A:553,valid,,,,,CSCC[C@H](N)P(=O)(O)O,
,,,ZN:A:552,Part of Protein,,,,,[Zn+2],
,,6SPN,,,,,,,
,,,B3M:A:604,valid,Kd,=,1.2,mM,CSCC[C@@H](CC(=O)O)N,
,,,B3M:A:603,valid,Kd,=,1.2,mM,CSCC[C@@H](CC(=O)O)N,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CIT:A:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6SPQ,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:704,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:703,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MET:A:702,valid,Kd,=,0.029,mM,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5K0S,,,,,,,
,,,0OU:B:601,valid,ic50,=,0.006,uM,c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl,
,,,0OU:A:601,valid,ic50,=,0.006,uM,c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl,
,,,0OU:C:601,valid,ic50,=,0.006,uM,c1ccc2c(c1)C(=O)C=C(N2)NCCCNCc3cc(cc(c3)Cl)Cl,
,,4PY2,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,43E:A:601,valid,ic50,=,0.272,uM,c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl,
,,,43E:C:601,valid,ic50,=,0.272,uM,c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl,
,,,43E:B:601,valid,ic50,=,0.272,uM,c1cscc1NC(=O)NCCCNCc2cc(cc(c2)Cl)Cl,
,Family. Representative Entry is ,5XET,,,,,,,
,,,MG:C:605,Part of Protein,,,,,[Mg+2],
,,,MG:C:606,invalid,,,,,[Mg+2],
,,,MG:C:604,invalid,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:607,invalid,,,,,[Mg+2],
,,,ME8:C:601,valid,,,,,CSCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,EDO:C:602,invalid,,,,,C(CO)O,
1.11.1.5,,,,,,,,,
,Family. Representative Entry is ,5U61,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7WG:A:302,valid,Kd,=,0.04,uM,c1c([nH]c(n1)N)C2CC2,
,,4JPL,,,,,,,
,,,4JP:A:302,valid,,,,,c1cc2c(cc[nH]2)nc1,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2EUS,,,,,,,
,,,ABN:A:400,valid,,,,,c1ccc(cc1)CN,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2RBV,,,,,,,
,,,278:X:2001,valid,,,,,Cn1cccc1CN,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2EUU,,,,,,,
,,,BVG:A:401,valid,,,,,c1cnc([nH]1)CO,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AEH,,,,,,,
,,,24T:A:296,valid,,,,,Cc1csc(n1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5U5X,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TP5:A:302,valid,Kd,=,1.3,uM,[H]/N=C(c1ccsc1)/N,
,,4JM6,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LG3:A:302,valid,,,,,c1cnc(nc1N)N,
,,4JQM,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1LQ:A:303,valid,,,,,c1ccc2c(c1)c(ncn2)N,
,,5UG2,,,,,,,
,,,86J:A:302,valid,Kd,~,712,uM,Cc1c(n2cc(ccc2n1)F)N,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2RBZ,,,,,,,
,,,282:X:2001,valid,,,,,COc1cccnc1,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RC1,,,,,,,
,,,285:X:2001,valid,,,,,CC1[C@H](O[C@@H](N1)C)C,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AEU,,,,,,,
,,,2MZ:A:296,valid,,,,,Cc1[nH]ccn1,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AED,,,,,,,
,,,DTI:A:296,valid,,,,,Cc1csc[n+]1C,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4JMZ,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1M2:A:302,valid,Kd,=,288,uM,CNc1[nH]c2ccccc2n1,
,,2AS4,,,,,,,
,,,3FA:A:500,valid,Kd,=,7.7,mM,c1cc(c(c(c1)F)O)O,
,,,3FA:A:700,valid,Kd,=,7.7,mM,c1cc(c(c(c1)F)O)O,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:600,Part of Protein,,,,,[K+],
,,4JM9,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,LG5:A:302,valid,,,,,CN1CC=CC(=C1)N,
,,1AEK,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IDM:A:296,valid,,,,,c1ccc2c(c1)CCN2,
,,5U5Y,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7W4:A:302,valid,Kd,=,522,uM,Cc1c(n2ccccc2n1)N,
,,1AEV,,,,,,,
,,,AMT:A:296,valid,,,,,c1csc(n1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4A78,,,,,,,
,,,HEM:A:1295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JZ3:A:1296,valid,,,,,COc1ccccc1O,
,,1CMP,,,,,,,
,,,DMI:A:295,valid,Kd,=,0.027,mM,Cc1[nH+]ccn1C,
,,,HEM:A:296,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2AS6,,,,,,,
,,,1CB:A:500,valid,,,,,C1CCC(C1)N,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2EUP,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LG4:A:400,valid,Kd,=,0.04,mM,Cc1ccc(nc1)N,
,,2RBY,,,,,,,
,,,280:X:2001,valid,,,,,Cn1cncc1C=O,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4XV5,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BZI:A:302,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,,BZI:A:303,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,1CCI,,,,,,,
,,,DMI:A:499,valid,,,,,Cc1[nH+]ccn1C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1RYC,,,,,,,
,,,BZI:A:296,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5U5Z,,,,,,,
,,,7VP:A:302,valid,Kd,=,3472,uM,Cc1c[nH]c(n1)c2ccccc2,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2AS3,,,,,,,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPH:A:500,valid,Kd,=,4.1,mM,c1ccc(cc1)O,
,,,K:A:600,Part of Protein,,,,,[K+],
,,4XV8,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1KXM,,,,,,,
,,,BZI:A:2,valid,Kd,=,0.14,mM,c1ccc2c(c1)[nH]cn2,
,,,HEM:A:1,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2EUN,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LG3:A:296,valid,Kd,=,0.05,mM,c1cnc(nc1N)N,
,,4XV7,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1LQ:A:302,valid,,,,,c1ccc2c(c1)c(ncn2)N,
,,4JQK,,,,,,,
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1LN:A:302,valid,,,,,C1=CC=[N](C(=C1)N)CCO,
,,,1LN:A:303,valid,,,,,C1=CC=[N](C(=C1)N)CCO,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2AS2,,,,,,,
,,,2IM:A:500,valid,,,,,C1CCNC(=N)C1,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2EUQ,,,,,,,
,,,BVC:A:401,valid,Kd,=,0.05,mM,c1cscc1CN,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4A6Z,,,,,,,
,,,HEM:A:1295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JZ3:A:1296,valid,,,,,COc1ccccc1O,
,,,JZ3:A:1297,valid,,,,,COc1ccccc1O,
,,1AEB,,,,,,,
,,,3MT:A:296,valid,,,,,C[n+]1ccsc1,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4JQJ,,,,,,,
,,,1LM:A:302,valid,,,,,c1ccc2c(c1)c(ccn2)N,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JMA,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3FA:A:302,valid,,,,,c1cc(c(c(c1)F)O)O,
,,,3FA:A:303,valid,,,,,c1cc(c(c(c1)F)O)O,
,,1AET,,,,,,,
,,,1MZ:A:296,valid,,,,,Cn1cc[nH+]c1,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2X08,,,,,,,
,,,ASC:A:1253,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,HEM:A:1254,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2AS1,,,,,,,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TP5:A:500,valid,Kd,=,0.02,mM,[H]/N=C(c1ccsc1)/N,
,,1AEJ,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NVI:A:296,valid,,,,,C=C[n+]1cc[nH]c1,
,,2Y5A,,,,,,,
,,,3AP:A:1295,valid,Kd,=,0.055,mM,c1cc(c[nH+]c1)N,
,,,HEM:A:1001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AEO,,,,,,,
,,,2AP:A:296,valid,,,,,c1cc[nH+]c(c1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2EUT,,,,,,,
,,,BVF:A:401,valid,,,,,Cc1ccnc(c1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2RBU,,,,,,,
,,,273:X:4001,valid,,,,,[H]/N=C(C1CCCC1)/N,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4A71,,,,,,,
,,,HEM:A:1295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPH:A:1296,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:1297,valid,,,,,c1ccc(cc1)O,
,,3EXB,,,,,,,
,,,EXB GLY ALA ALA NH2:B:293,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)CNC(=O)CCn1c2c(nc1)cccc2)C)C,
,,,HEM:A:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4JQN,,,,,,,
,,,HBA:A:302,valid,,,,,c1cc(ccc1C=O)O,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5U5V,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,7WA:A:302,valid,Kd,=,29.6,uM,c1cc(c2c(c1)[nH]cn2)N,
,,5U5U,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NTN:A:302,valid,Kd,=,619,uM,c1cnccc1C(=N)N,
,,2RC0,,,,,,,
,,,284:X:2001,valid,,,,,C[C@H]1CCNC(=C1)N,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JPU,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1AC8,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TMZ:A:296,valid,,,,,Cc1c(sc[n+]1C)C,
,,1AEQ,,,,,,,
,,,2EZ:A:296,valid,,,,,CCc1[nH]ccn1,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2RBT,,,,,,,
,,,271:X:4001,valid,,,,,CNCc1ccccc1,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MPD:X:2001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:X:3001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2ANZ,,,,,,,
,,,26D:A:500,valid,Kd,=,0.06,mM,c1cc(nc(c1)N)N,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AEF,,,,,,,
,,,3AP:A:296,valid,,,,,c1cc(c[nH+]c1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5U60,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7VS:A:302,valid,,,,,c1ccc2c(c1)/C(=N/N)/C=CN2,
,,4XV4,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,25T:A:302,valid,Kd,=,68,mM,Cc1c[nH+]c(s1)N,
,,,25T:A:303,valid,Kd,=,68,mM,Cc1c[nH+]c(s1)N,
,,1AEM,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MPI:A:296,valid,,,,,c1cc[n+]2cc[nH]c2c1,
,,4JPT,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,Q24:A:302,valid,,,,,c1ccc2c(c1)c(nc(n2)N)N,
,,2RBX,,,,,,,
,,,3AY:X:2001,valid,,,,,c1c(nc(nc1N)N)N,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JM8,,,,,,,
,,,26D:A:302,valid,,,,,c1cc(nc(c1)N)N,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JMW,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPH:A:302,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:303,valid,,,,,c1ccc(cc1)O,
,,2RBW,,,,,,,
,,,275:X:2001,valid,,,,,Cc1ccc(c[n+]1C)N,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RC2,,,,,,,
,,,286:X:2001,valid,,,,,C[n+]1ccccc1C=C,
,,,HEM:X:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AEN,,,,,,,
,,,25T:A:296,valid,,,,,Cc1c[nH+]c(s1)N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2V2E,,,,,,,
,,,HEM:A:1295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ISZ:A:1296,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,5U5W,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7W1:A:302,valid,Kd,=,154,uM,Cc1cnc2ccccc2c1N,
,,4JM5,,,,,,,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,25T:A:302,valid,,,,,Cc1c[nH+]c(s1)N,
,,2EUO,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LG5:A:401,valid,,,,,CN1CC=CC(=C1)N,
,,1AEG,,,,,,,
,,,4AP:A:296,valid,,,,,c1c[nH+]ccc1N,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2AQD,,,,,,,
,,,DA1:A:500,valid,,,,,c1cc(ncc1N)N,
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1AC4,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TMT:A:296,valid,,,,,Cc1csc([n+]1C)C,
,,2EUR,,,,,,,
,,,HEM:A:295,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PY7:A:400,valid,,,,,c1cnccc1CO,
,Family. Representative Entry is ,1NML,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:503,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3HQ9,,,,,,,
,,,BU3:A:350,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:350,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,HEM:A:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:400,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:346,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:347,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:346,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:347,invalid,,,,,c1c[nH+]c[nH]1,
,,,OXL:A:348,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:349,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:348,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:349,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,5CIC,,,,,,,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,51R:C:302,valid,,,,,c1cc(cc(c1)N)C(F)(F)F,
,,,51R:A:302,valid,,,,,c1cc(cc(c1)N)C(F)(F)F,
2.7.-.-,,,,,,,,,
,Family. Representative Entry is ,5YLF,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,BGC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5I35,,,,,,,
,,,ANP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4Q5H,,,,,,,
,,,ANP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4ZLU,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,4PW:B:503,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,,,4PW:A:602,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TRS:B:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5TKR,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZFV,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,TRS:A:604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5BVC,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,4PW:A:502,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,,4YH5,,,,,,,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5BSB,,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4PW:A:501,valid,,,,,C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O,
,Family. Representative Entry is ,3PNQ,,,,,,,
,,,2HA:D:511,valid,,,,,C(C(=O)CO)O,
,Family. Representative Entry is ,3CR3,,,,,,,
,,,ADP:A:1211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1212,Part of Protein,,,,,[Mg+2],
,,,MG:A:1213,Part of Protein,,,,,[Mg+2],
,,,MG:B:1212,Part of Protein,,,,,[Mg+2],
,,,MG:B:1213,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3PNL,,,,,,,
,,,ADP:B:1211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1228,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1212,Part of Protein,,,,,[Mg+2],
,,,MG:B:1213,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4LRZ,,,,,,,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
5.4.2.9,,,,,,,,,
,Family. Representative Entry is ,1M1B,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,SPV:A:996,valid,Ki,=,22,uM,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,SPV:B:997,valid,Ki,=,22,uM,C(C(=O)C(=O)O)S(=O)(=O)O,
,,1PYM,,,,,,,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,OXL:A:1001,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1002,valid,,,,,C(=O)(C(=O)[O-])[O-],
2.7.7.4,,,,,,,,,
,Family. Representative Entry is ,4MAF,,,,,,,
,,,ADX:C:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:D:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:G:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:F:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:H:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:E:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,Family. Representative Entry is ,1V47,,,,,,,
,,,ADX:A:564,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:574,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:B:604,Part of Protein,,,,,[Na+],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1X6V,,,,,,,
,,,ADP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CL:B:700,invalid,,,,,[Cl-],
,,1XJQ,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1XNJ,,,,,,,
,,,ADP:B:2800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADX:A:2900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:2700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:B:2805,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,Family. Representative Entry is ,2GKS,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:906,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
6.2.1.26,,,,,,,,,
,Family. Representative Entry is ,5X8G,,,,,,,
,,,S0N:C:508,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:B:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:D:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:A:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,PEG:D:507,invalid,,,,,C(COCCO)O,
,,,PEG:D:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:C:506,invalid,,,,,C(COCCO)O,
,,,PEG:C:507,invalid,,,,,C(COCCO)O,
,,,CA:C:502,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:C:504,invalid,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,CA:D:504,invalid,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,invalid,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:509,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,NA:A:507,invalid,,,,,[Na+],
,,,NA:D:505,Part of Protein,,,,,[Na+],
,,,NA:C:505,invalid,,,,,[Na+],
,,,NA:B:507,invalid,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,5X8F,,,,,,,
,,,S0N:C:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:D:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:B:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:A:501,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,MG:A:506,Part of Protein,,,,,[Mg+2],
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:B:505,invalid,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,invalid,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:508,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:508,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:506,Part of Protein,,,,,[Mg+2],
,,,MG:C:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,,MG:B:507,invalid,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,MG:D:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:B:509,Part of Protein,,,,,[Mg+2],
,,,MG:D:507,Part of Protein,,,,,[Mg+2],
,,,MG:C:506,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,NA:D:511,invalid,,,,,[Na+],
,,,NA:B:518,invalid,,,,,[Na+],
,,,NA:B:517,Part of Protein,,,,,[Na+],
,,,NA:D:510,invalid,,,,,[Na+],
,,,NA:C:514,Part of Protein,,,,,[Na+],
,,,NA:A:514,Part of Protein,,,,,[Na+],
,,,NA:B:514,Part of Protein,,,,,[Na+],
,,,NA:A:513,Part of Protein,,,,,[Na+],
,,,NA:C:509,Part of Protein,,,,,[Na+],
,,,NA:D:517,invalid,,,,,[Na+],
,,,NA:D:513,Part of Protein,,,,,[Na+],
,,,NA:D:515,Part of Protein,,,,,[Na+],
,,,NA:A:512,Part of Protein,,,,,[Na+],
,,,NA:C:513,Part of Protein,,,,,[Na+],
,,,NA:C:507,invalid,,,,,[Na+],
,,,NA:D:509,invalid,,,,,[Na+],
,,,NA:C:511,invalid,,,,,[Na+],
,,,NA:B:516,Part of Protein,,,,,[Na+],
,,,NA:A:515,invalid,,,,,[Na+],
,,,NA:C:508,invalid,,,,,[Na+],
,,,NA:C:510,Part of Protein,,,,,[Na+],
,,,NA:D:514,Part of Protein,,,,,[Na+],
,,,NA:B:511,invalid,,,,,[Na+],
,,,NA:D:516,Part of Protein,,,,,[Na+],
,,,NA:B:512,Part of Protein,,,,,[Na+],
,,,NA:D:512,invalid,,,,,[Na+],
,,,NA:B:513,Part of Protein,,,,,[Na+],
,,,NA:D:518,Part of Protein,,,,,[Na+],
,,,NA:A:511,Part of Protein,,,,,[Na+],
,,,NA:B:515,Part of Protein,,,,,[Na+],
,,,NA:C:512,invalid,,,,,[Na+],
,,,NA:D:519,Part of Protein,,,,,[Na+],
,,,NA:B:510,Part of Protein,,,,,[Na+],
,,,AMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PEG:C:515,invalid,,,,,C(COCCO)O,
,,,PEG:B:519,invalid,,,,,C(COCCO)O,
,,,PEG:D:520,invalid,,,,,C(COCCO)O,
,,,PEG:A:516,invalid,,,,,C(COCCO)O,
,,,PEG:A:517,invalid,,,,,C(COCCO)O,
,,,PEG:B:520,invalid,,,,,C(COCCO)O,
,,,PEG:C:516,invalid,,,,,C(COCCO)O,
,,,CA:B:521,Part of Protein,,,,,[Ca+2],
,,,CA:A:518,Part of Protein,,,,,[Ca+2],
,,,CA:C:517,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5C5H,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,4YB:A:502,valid,Kd,=,394,nM,c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O,
,,,4YB:B:503,valid,Kd,=,394,nM,c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O,
,,6NJ0,,,,,,,
,,,KOY:A:501,valid,ic50,=,8.1,uM,c1ccc(c(c1)C(=O)CCc2cccc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)O,
3.1.4.-,,,,,,,,,
,Family. Representative Entry is ,5G57,,,,,,,
,,,GAI:A:1929,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1927,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1928,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1926,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1930,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1921,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1928,invalid,,,,,C(=N)(N)N,
,,,GOL:B:1925,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1926,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1923,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1924,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1924,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1925,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1922,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1923,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1919,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1919,Part of Protein,,,,,[Zn+2],
,,,MG:A:1920,Part of Protein,,,,,[Mg+2],
,,,MG:B:1920,Part of Protein,,,,,[Mg+2],
,,,FMT:A:1921,invalid,,,,,C(=O)O,
,,,FMT:A:1922,invalid,,,,,C(=O)O,
,,,6M5:A:1931,valid,Ki,=,4,nM,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,6M5:B:1918,valid,Ki,=,4,nM,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,PEG:A:1927,invalid,,,,,C(COCCO)O,
,,5G2B,,,,,,,
,,,FMT:A:1006,invalid,,,,,C(=O)O,
,,,FMT:A:1005,invalid,,,,,C(=O)O,
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,LQY:B:1003,valid,Ki,=,0.1,uM,COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,LQY:A:1003,valid,Ki,=,0.1,uM,COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)N)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,GAI:B:1004,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1008,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1007,invalid,,,,,C(=N)(N)N,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,5L8Y,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,CVA:B:1004,valid,Ki,=,400,nM,COc1ccc(cc1c2ccc(cc2)C(=O)NCC(=O)NCCO)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,,GAI:A:1004,invalid,,,,,C(=N)(N)N,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5G5V,,,,,,,
,,,8Z4:A:1936,valid,Ki,=,200,nM,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)N5CC[C@H](C5)O)OC,
,,,GAI:B:1927,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1922,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1934,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1923,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1935,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1921,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1931,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1921,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1922,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1920,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1928,invalid,,,,,C(=N)(N)N,
,,,EDO:A:1937,invalid,,,,,C(CO)O,
,,,EDO:A:1933,invalid,,,,,C(CO)O,
,,,EDO:B:1925,invalid,,,,,C(CO)O,
,,,EDO:A:1926,invalid,,,,,C(CO)O,
,,,EDO:A:1928,invalid,,,,,C(CO)O,
,,,EDO:B:1924,invalid,,,,,C(CO)O,
,,,EDO:A:1925,invalid,,,,,C(CO)O,
,,,EDO:A:1927,invalid,,,,,C(CO)O,
,,,EDO:A:1932,invalid,,,,,C(CO)O,
,,,EDO:A:1923,invalid,,,,,C(CO)O,
,,,EDO:A:1924,invalid,,,,,C(CO)O,
,,,EDO:A:1929,invalid,,,,,C(CO)O,
,,,ZN:B:1919,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1918,Part of Protein,,,,,[Zn+2],
,,,FMT:B:1926,invalid,,,,,C(=O)O,
,,,FMT:A:1930,invalid,,,,,C(=O)O,
,,,MG:A:1919,Part of Protein,,,,,[Mg+2],
,,,MG:B:1920,Part of Protein,,,,,[Mg+2],
,,6RB6,,,,,,,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1015,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,GAI:A:1008,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1001,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1003,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1013,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1014,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1009,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1007,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1004,invalid,,,,,C(=N)(N)N,
,,,FMT:A:1013,invalid,,,,,C(=O)O,
,,,FMT:B:1002,invalid,,,,,C(=O)O,
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,JX2:B:1012,valid,,,,,COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,,JX2:A:1014,valid,,,,,COc1ccc(cc1C#CC(=O)NCc2ccco2)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5CCCCCC5,
,,5L8C,,,,,,,
,,,908:B:1007,valid,Ki,=,100,nM,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC,
,,,908:A:1007,valid,Ki,=,100,nM,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)c4ccc(cc4)C(=O)NCC(=O)N)OC,
,,,FMT:A:1005,invalid,,,,,C(=O)O,
,,,FMT:B:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,PEG:B:1006,invalid,,,,,C(COCCO)O,
,,,PEG:B:1005,invalid,,,,,C(COCCO)O,
,,6RGK,,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,K3N:B:1007,valid,,,,,CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4,
,,,K3N:A:1008,valid,,,,,CCCCNC(=O)C#Cc1cc(ccc1OC)C2=NN(C(=O)[C@H]3[C@@H]2CCCC3)C4CCCCCC4,
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1007,invalid,,,,,C(=N)(N)N,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,6RFN,,,,,,,
,,,K3W:A:1009,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC,
,,,K3W:B:1006,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)Nc4cccc(c4)OC)OC,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1003,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1007,invalid,,,,,C(=N)(N)N,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,6RFW,,,,,,,
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1001,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1004,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1004,invalid,,,,,C(=N)(N)N,
,,,K1Q:B:1007,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC,
,,,K1Q:A:1007,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCCc4ccccc4F)OC,
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,5L9H,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,CVL:B:1006,valid,ic50,=,0.4,uM,CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C,
,,,CVL:A:1005,valid,ic50,=,0.4,uM,CC(C)N1C(=O)C(C(=N1)c2ccc(c(c2)OCCCCOc3ccc(cc3)c4[nH]nnn4)OC)(C)C,
,,,FMT:B:1005,invalid,,,,,C(=O)O,
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,6GXQ,,,,,,,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GAI:A:1003,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1006,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1005,invalid,,,,,C(=N)(N)N,
,,,GAI:B:1001,invalid,,,,,C(=N)(N)N,
,,,GAI:A:1004,invalid,,,,,C(=N)(N)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,FFZ:A:1005,valid,Ki,=,0.00000079,M,CC(C)N1C(=O)[C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC,
,Family. Representative Entry is ,6CA4,,,,,,,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MLI:B:404,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,6CPT,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,IBM:A:603,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,Family. Representative Entry is ,6DJJ,,,,,,,
,,,GM7:A:701,valid,ic50,=,80,uM,c1cc(c(cc1N)C(=O)O)C(=O)O,
,,,GM7:B:701,valid,ic50,=,80,uM,c1cc(c(cc1N)C(=O)O)C(=O)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,6DJH,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,GNM:A:701,valid,,,,,c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O,
,,,GNM:B:701,valid,,,,,c1cc2c(c(c1)Br)NC=C(C2=O)C(=O)O,
,,6DJE,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,GNY:A:704,valid,,,,,CC(C)c1cccc2c1ncc(c2O)C(=O)O,
,,,GNY:B:702,valid,,,,,CC(C)c1cccc2c1ncc(c2O)C(=O)O,
,,6MJ5,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,JTA:B:703,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O,
,,,JTA:A:704,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])ncc(c2O)C(=O)O,
,,6N17,,,,,,,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,K8Y:B:701,valid,ic50,=,1.01,mM,c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O,
,,,K8Y:A:701,valid,ic50,=,1.01,mM,c1cc(c(cc1NC(=O)CCC(=O)O)C(=O)O)C(=O)O,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,6DIM,,,,,,,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,GJP:B:701,valid,,,,,c1ccc2c(c1)c(c(cn2)C(=O)O)O,
,,,GJP:A:701,valid,,,,,c1ccc2c(c1)c(c(cn2)C(=O)O)O,
,,6DJF,,,,,,,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,GNV:A:702,valid,,,,,c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O,
,,,GNV:B:704,valid,,,,,c1cc2c(c(c1)C(=O)O)ncc(c2O)C(=O)O,
,,6N19,,,,,,,
,,,K8V:B:701,valid,ic50,=,0.96,mM,c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O,
,,,K8V:A:701,valid,ic50,=,0.96,mM,c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,6DIE,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,GHM:B:701,valid,ic50,=,0.74,mM,c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O,
,,,GHM:A:701,valid,ic50,=,0.74,mM,c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O,
,,6DJI,,,,,,,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,GOG:A:701,valid,ic50,=,3.1,mM,c1cc(c(c(c1)O)C(=O)O)C(=O)O,
,,,GOG:B:701,valid,ic50,=,3.1,mM,c1cc(c(c(c1)O)C(=O)O)C(=O)O,
,,6DHU,,,,,,,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,GHM:B:701,valid,,,,,c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O,
,,,GHM:A:701,valid,,,,,c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O,
,,6DJG,,,,,,,
,,,GNJ:A:702,valid,,,,,c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O,
,,,GNJ:B:702,valid,,,,,c1cc2c(c(c1)S(=O)(=O)O)ncc(c2O)C(=O)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,6DJD,,,,,,,
,,,GJP:B:701,valid,ic50,=,7.2,mM,c1ccc2c(c1)c(c(cn2)C(=O)O)O,
,,,GJP:A:701,valid,ic50,=,7.2,mM,c1ccc2c(c1)c(c(cn2)C(=O)O)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,6DIH,,,,,,,
,,,GJS:A:701,valid,ic50,=,1.9,mM,c1cc(c(cc1O)C(=O)O)C(=O)O,
,,,GJS:B:701,valid,ic50,=,1.9,mM,c1cc(c(cc1O)C(=O)O)C(=O)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6D30,,,,,,,
,,,U   U  :C:1,valid,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,6D2Z,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,U   A  :C:1,valid,,,,,,
,,6D31,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1JH7,,,,,,,
,,,SO4:A:212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UVC:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O,
,,,UVC:A:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O,
,Family. Representative Entry is ,5J3Z,,,,,,,
,,,ACT:B:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:416,invalid,,,,,CC(=O)[O-],
,,,ACT:B:409,invalid,,,,,CC(=O)[O-],
,,,ACT:B:410,invalid,,,,,CC(=O)[O-],
,,,ACT:B:413,invalid,,,,,CC(=O)[O-],
,,,ACT:B:411,invalid,,,,,CC(=O)[O-],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,6FQ:B:401,valid,,,,,c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5,
,,,6FQ:A:401,valid,,,,,c1cc(cc(c1)N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)c5[nH]nnn5,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,5J42,,,,,,,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,6FV:B:401,valid,,,,,c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O,
,,,6FV:A:401,valid,,,,,c1cc(ccc1N2c3cc(ccc3C=C4C2=NC(=O)NC4=O)C#N)O,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,MN:B:408,Part of Protein,,,,,[Mn+2],
,,,TLA:A:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:404,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:403,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:405,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:403,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5LDQ,,,,,,,
,,,NAP:D:201,valid,Kd,=,40,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:201,valid,Kd,=,40,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:202,valid,Kd,=,40,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:201,valid,Kd,=,40,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:201,valid,Kd,=,40,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:D:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,1PE:B:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:204,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5LDM,,,,,,,
,,,2AM:A:201,valid,Ka,=,7210,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:B:201,valid,Ka,=,7210,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CL:A:202,invalid,,,,,[Cl-],
,,5LDP,,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,ATP:B:201,valid,Ka,=,15000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,Ka,=,15000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:201,valid,Ka,=,15000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:206,invalid,,,,,[Mg+2],
,,,MG:B:203,invalid,,,,,[Mg+2],
,,5LDK,,,,,,,
,,,ATP:B:201,valid,Ka,=,15000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5EGH,,,,,,,
,,,ZN:B:507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUL:F:1,invalid,,,,,,
,,,NAG NAG FUL:D:1,invalid,,,,,,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,PC:B:510,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:A:512,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4LJ3,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,IMD:B:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,C2E:B:401,valid,Kd,<,1,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:401,valid,Kd,<,1,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,HB0:A:405,invalid,,,,,C1CC(CCC1CO)O,
,,,HB0:B:405,invalid,,,,,C1CC(CCC1CO)O,
,Family. Representative Entry is ,5FCB,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,AMP:A:516,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,5FC5,,,,,,,
,,,PC:A:516,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,5FC6,,,,,,,
,,,AP2:A:520,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,Family. Representative Entry is ,4Z2B,,,,,,,
,,,MG:A:706,Part of Protein,,,,,[Mg+2],
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,TRS:A:704,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4LC:A:705,valid,Ki,=,17.5,nM,Cn1c2cc(ccc2nc1c3c[nH]c4c3ccc(c4)C#N)C(=O)N5CCO[C@H]([C@@H]5CO)c6ccccc6,
,Family. Representative Entry is ,5KAS,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,NO3:A:515,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:516,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PC:A:517,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC:D:1,invalid,,,,,,
3.2.1.97,,,,,,,,,
,Family. Representative Entry is ,5A57,,,,,,,
,,,EDO:A:2452,invalid,,,,,C(CO)O,
,,,EDO:A:2450,invalid,,,,,C(CO)O,
,,,EDO:A:2444,invalid,,,,,C(CO)O,
,,,EDO:A:2456,invalid,,,,,C(CO)O,
,,,EDO:A:2455,invalid,,,,,C(CO)O,
,,,EDO:A:2436,invalid,,,,,C(CO)O,
,,,EDO:A:2442,invalid,,,,,C(CO)O,
,,,EDO:A:2441,invalid,,,,,C(CO)O,
,,,EDO:A:2445,invalid,,,,,C(CO)O,
,,,EDO:A:2437,invalid,,,,,C(CO)O,
,,,EDO:A:2454,invalid,,,,,C(CO)O,
,,,EDO:A:2446,invalid,,,,,C(CO)O,
,,,EDO:A:2440,invalid,,,,,C(CO)O,
,,,EDO:A:2434,invalid,,,,,C(CO)O,
,,,EDO:A:2448,invalid,,,,,C(CO)O,
,,,EDO:A:2451,invalid,,,,,C(CO)O,
,,,EDO:A:2447,invalid,,,,,C(CO)O,
,,,EDO:A:2439,invalid,,,,,C(CO)O,
,,,EDO:A:2453,invalid,,,,,C(CO)O,
,,,EDO:A:2438,invalid,,,,,C(CO)O,
,,,EDO:A:2435,invalid,,,,,C(CO)O,
,,,EDO:A:2443,invalid,,,,,C(CO)O,
,,,EDO:A:2449,invalid,,,,,C(CO)O,
,,,CA:A:2429,Part of Protein,,,,,[Ca+2],
,,,CA:A:2428,Part of Protein,,,,,[Ca+2],
,,,CA:A:2430,Part of Protein,,,,,[Ca+2],
,,,5G0 GAL:A:2433,valid,,,,,O(N=C1C(NC(O)=C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1)C(=O)Nc1ccccc1,
,,,CIT:A:2431,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2432,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5A58,,,,,,,
,,,EDO:A:2450,invalid,,,,,C(CO)O,
,,,EDO:A:2464,invalid,,,,,C(CO)O,
,,,EDO:A:2444,invalid,,,,,C(CO)O,
,,,EDO:A:2457,invalid,,,,,C(CO)O,
,,,EDO:A:2455,invalid,,,,,C(CO)O,
,,,EDO:A:2466,invalid,,,,,C(CO)O,
,,,EDO:A:2441,invalid,,,,,C(CO)O,
,,,EDO:A:2462,invalid,,,,,C(CO)O,
,,,EDO:A:2454,invalid,,,,,C(CO)O,
,,,EDO:A:2446,invalid,,,,,C(CO)O,
,,,EDO:A:2465,invalid,,,,,C(CO)O,
,,,EDO:A:2448,invalid,,,,,C(CO)O,
,,,EDO:A:2447,invalid,,,,,C(CO)O,
,,,EDO:A:2439,invalid,,,,,C(CO)O,
,,,EDO:A:2453,invalid,,,,,C(CO)O,
,,,EDO:A:2449,invalid,,,,,C(CO)O,
,,,EDO:A:2463,invalid,,,,,C(CO)O,
,,,EDO:A:2452,invalid,,,,,C(CO)O,
,,,EDO:A:2456,invalid,,,,,C(CO)O,
,,,EDO:A:2436,invalid,,,,,C(CO)O,
,,,EDO:A:2442,invalid,,,,,C(CO)O,
,,,EDO:A:2459,invalid,,,,,C(CO)O,
,,,EDO:A:2461,invalid,,,,,C(CO)O,
,,,EDO:A:2445,invalid,,,,,C(CO)O,
,,,EDO:A:2437,invalid,,,,,C(CO)O,
,,,EDO:A:2460,invalid,,,,,C(CO)O,
,,,EDO:A:2440,invalid,,,,,C(CO)O,
,,,EDO:A:2458,invalid,,,,,C(CO)O,
,,,EDO:A:2451,invalid,,,,,C(CO)O,
,,,EDO:A:2438,invalid,,,,,C(CO)O,
,,,EDO:A:2443,invalid,,,,,C(CO)O,
,,,CA:A:2427,Part of Protein,,,,,[Ca+2],
,,,CA:A:2430,Part of Protein,,,,,[Ca+2],
,,,CA:A:2429,Part of Protein,,,,,[Ca+2],
,,,CIT:A:2431,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2432,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:2428,Part of Protein,,,,,[Mn+2],
,,,A2G SER GAL:B:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5A5A,,,,,,,
,,,A2G GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,EDO:A:2450,invalid,,,,,C(CO)O,
,,,EDO:A:2464,invalid,,,,,C(CO)O,
,,,EDO:A:2444,invalid,,,,,C(CO)O,
,,,EDO:A:2457,invalid,,,,,C(CO)O,
,,,EDO:A:2455,invalid,,,,,C(CO)O,
,,,EDO:A:2441,invalid,,,,,C(CO)O,
,,,EDO:A:2462,invalid,,,,,C(CO)O,
,,,EDO:A:2454,invalid,,,,,C(CO)O,
,,,EDO:A:2446,invalid,,,,,C(CO)O,
,,,EDO:A:2465,invalid,,,,,C(CO)O,
,,,EDO:A:2448,invalid,,,,,C(CO)O,
,,,EDO:A:2447,invalid,,,,,C(CO)O,
,,,EDO:A:2439,invalid,,,,,C(CO)O,
,,,EDO:A:2453,invalid,,,,,C(CO)O,
,,,EDO:A:2449,invalid,,,,,C(CO)O,
,,,EDO:A:2463,invalid,,,,,C(CO)O,
,,,EDO:A:2452,invalid,,,,,C(CO)O,
,,,EDO:A:2456,invalid,,,,,C(CO)O,
,,,EDO:A:2436,invalid,,,,,C(CO)O,
,,,EDO:A:2442,invalid,,,,,C(CO)O,
,,,EDO:A:2459,invalid,,,,,C(CO)O,
,,,EDO:A:2437,invalid,,,,,C(CO)O,
,,,EDO:A:2445,invalid,,,,,C(CO)O,
,,,EDO:A:2461,invalid,,,,,C(CO)O,
,,,EDO:A:2440,invalid,,,,,C(CO)O,
,,,EDO:A:2460,invalid,,,,,C(CO)O,
,,,EDO:A:2458,invalid,,,,,C(CO)O,
,,,EDO:A:2451,invalid,,,,,C(CO)O,
,,,EDO:A:2438,invalid,,,,,C(CO)O,
,,,EDO:A:2435,invalid,,,,,C(CO)O,
,,,EDO:A:2443,invalid,,,,,C(CO)O,
,,,CA:A:2427,Part of Protein,,,,,[Ca+2],
,,,CA:A:2430,Part of Protein,,,,,[Ca+2],
,,,CA:A:2429,Part of Protein,,,,,[Ca+2],
,,,CIT:A:2431,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2432,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:2428,Part of Protein,,,,,[Mn+2],
,,,NGA GAL:B:1,valid,,,,,,
,,5A59,,,,,,,
,,,EDO:A:2450,invalid,,,,,C(CO)O,
,,,EDO:A:2464,invalid,,,,,C(CO)O,
,,,EDO:A:2444,invalid,,,,,C(CO)O,
,,,EDO:A:2457,invalid,,,,,C(CO)O,
,,,EDO:A:2455,invalid,,,,,C(CO)O,
,,,EDO:A:2441,invalid,,,,,C(CO)O,
,,,EDO:A:2462,invalid,,,,,C(CO)O,
,,,EDO:A:2454,invalid,,,,,C(CO)O,
,,,EDO:A:2446,invalid,,,,,C(CO)O,
,,,EDO:A:2448,invalid,,,,,C(CO)O,
,,,EDO:A:2465,invalid,,,,,C(CO)O,
,,,EDO:A:2447,invalid,,,,,C(CO)O,
,,,EDO:A:2439,invalid,,,,,C(CO)O,
,,,EDO:A:2453,invalid,,,,,C(CO)O,
,,,EDO:A:2449,invalid,,,,,C(CO)O,
,,,EDO:A:2463,invalid,,,,,C(CO)O,
,,,EDO:A:2452,invalid,,,,,C(CO)O,
,,,EDO:A:2456,invalid,,,,,C(CO)O,
,,,EDO:A:2436,invalid,,,,,C(CO)O,
,,,EDO:A:2442,invalid,,,,,C(CO)O,
,,,EDO:A:2459,invalid,,,,,C(CO)O,
,,,EDO:A:2445,invalid,,,,,C(CO)O,
,,,EDO:A:2461,invalid,,,,,C(CO)O,
,,,EDO:A:2437,invalid,,,,,C(CO)O,
,,,EDO:A:2460,invalid,,,,,C(CO)O,
,,,EDO:A:2440,invalid,,,,,C(CO)O,
,,,EDO:A:2458,invalid,,,,,C(CO)O,
,,,EDO:A:2451,invalid,,,,,C(CO)O,
,,,EDO:A:2438,invalid,,,,,C(CO)O,
,,,EDO:A:2435,invalid,,,,,C(CO)O,
,,,EDO:A:2443,invalid,,,,,C(CO)O,
,,,CA:A:2427,Part of Protein,,,,,[Ca+2],
,,,CA:A:2430,Part of Protein,,,,,[Ca+2],
,,,CA:A:2429,Part of Protein,,,,,[Ca+2],
,,,CIT:A:2431,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2432,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:2428,Part of Protein,,,,,[Mn+2],
,,,A2G GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5A56,,,,,,,
,,,EDO:A:2450,invalid,,,,,C(CO)O,
,,,EDO:A:2464,invalid,,,,,C(CO)O,
,,,EDO:A:2444,invalid,,,,,C(CO)O,
,,,EDO:A:2457,invalid,,,,,C(CO)O,
,,,EDO:A:2455,invalid,,,,,C(CO)O,
,,,EDO:A:2441,invalid,,,,,C(CO)O,
,,,EDO:A:2462,invalid,,,,,C(CO)O,
,,,EDO:A:2454,invalid,,,,,C(CO)O,
,,,EDO:A:2446,invalid,,,,,C(CO)O,
,,,EDO:A:2465,invalid,,,,,C(CO)O,
,,,EDO:A:2448,invalid,,,,,C(CO)O,
,,,EDO:A:2447,invalid,,,,,C(CO)O,
,,,EDO:A:2439,invalid,,,,,C(CO)O,
,,,EDO:A:2453,invalid,,,,,C(CO)O,
,,,EDO:A:2449,invalid,,,,,C(CO)O,
,,,EDO:A:2463,invalid,,,,,C(CO)O,
,,,EDO:A:2452,invalid,,,,,C(CO)O,
,,,EDO:A:2456,invalid,,,,,C(CO)O,
,,,EDO:A:2436,invalid,,,,,C(CO)O,
,,,EDO:A:2442,invalid,,,,,C(CO)O,
,,,EDO:A:2459,invalid,,,,,C(CO)O,
,,,EDO:A:2461,invalid,,,,,C(CO)O,
,,,EDO:A:2445,invalid,,,,,C(CO)O,
,,,EDO:A:2437,invalid,,,,,C(CO)O,
,,,EDO:A:2460,invalid,,,,,C(CO)O,
,,,EDO:A:2440,invalid,,,,,C(CO)O,
,,,EDO:A:2458,invalid,,,,,C(CO)O,
,,,EDO:A:2451,invalid,,,,,C(CO)O,
,,,EDO:A:2438,invalid,,,,,C(CO)O,
,,,EDO:A:2443,invalid,,,,,C(CO)O,
,,,EDO:A:2435,invalid,,,,,C(CO)O,
,,,CA:A:2427,Part of Protein,,,,,[Ca+2],
,,,CA:A:2430,Part of Protein,,,,,[Ca+2],
,,,CA:A:2429,Part of Protein,,,,,[Ca+2],
,,,CIT:A:2431,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2432,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:2428,Part of Protein,,,,,[Mn+2],
,,,MGC GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
2.1.1.31,,,,,,,,,
,Family. Representative Entry is ,1P9P,,,,,,,
,,,SAH:A:300,valid,Kd,=,68,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.1.1.50,,,,,,,,,
,Family. Representative Entry is ,1FK8,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2DKN,,,,,,,
,,,NAI:A:4000,valid,Kd,=,8.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1AFS,,,,,,,
,,,NAP:A:324,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:324,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TES:A:325,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,TES:B:325,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
3.2.2.5,,,,,,,,,
,Family. Representative Entry is ,1ISI,,,,,,,
,,,ENQ:A:2001,valid,,,,,c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O,
,,,ENQ:B:2002,valid,,,,,c1c[n+]2cnc3c(c2[nH]1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NCA:A:1002,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1001,valid,,,,,c1cc(cnc1)C(=O)N,
,,1ISJ,,,,,,,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NMN:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,1ISH,,,,,,,
,,,ENP:A:1001,valid,,,,,c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O,
,,,ENP:B:1002,valid,,,,,c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3I9L,,,,,,,
,,,N1C:A:301,valid,,,,,c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O,
,,1R15,,,,,,,
,,,N:A:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:B:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:C:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:D:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:E:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:F:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:G:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:H:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,NCA:A:319,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:A:419,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:329,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:429,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:C:339,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:C:439,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:D:349,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:D:449,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:E:359,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:E:459,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:F:369,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:F:469,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:G:379,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:G:479,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:H:389,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:H:489,valid,,,,,c1cc(cnc1)C(=O)N,
,,3ZWO,,,,,,,
,,,G2Q:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,G2Q:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,G2Q:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,G2Q:E:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,G2Q:G:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,G2Q:H:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)NC(=NC2=O)N,
,,,NGD:F:5573,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N,
,,3ZWN,,,,,,,
,,,CGR:A:2458,valid,,,,,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O,
,,,NGD:B:5573,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N,
,,3I9K,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1R16,,,,,,,
,,,N:A:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,N:B:1179,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,PYF:A:400,valid,,,,,c1cc(cnc1)CO,
,,,PYF:B:300,valid,,,,,c1cc(cnc1)CO,
,,3ZWM,,,,,,,
,,,CXR:F:303,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,,CXR:H:303,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3I9J,,,,,,,
,,,AVV:B:301,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)F)N,
,,,NCA:B:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NFD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc(nc5N)F)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2PGJ,,,,,,,
,,,N1C:A:301,valid,ic50,=,0.26,mM,c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O,
,,2O3R,,,,,,,
,,,CXR:A:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,,CXR:B:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,2O3U,,,,,,,
,,,NGD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N,
,,,NGD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O)C(=O)N,
,,2PGL,,,,,,,
,,,N1C:A:301,valid,,,,,c1nc2c3n1[C@H]4[C@@H](C(C(O4)CO[P@@](=O)(O[P@](=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N(C2=O)C=N3)O)O)O)O)O)O,
,,4OGW,,,,,,,
,,,NMN:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,3ROP,,,,,,,
,,,50A:A:301,Part of Protein,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O,
,,,50A:B:301,Part of Protein,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O,
,,,NCA:A:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,3DZG,,,,,,,
,,,NCA:A:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,RF5:A:301,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O,
,,,RF5:B:301,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O,
,,2HCT,,,,,,,
,,,NMN:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,2I66,,,,,,,
,,,G1R:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N=C(NC2=O)N,
,,,G1R G1R:A:301,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(OCC1C(O)C(O)C(Oc2nc(N)nc3n(C4C(O)C(O)C(COP(OP(=O)(OCC5C(O)C(O)C(O)O5)[O-])(=O)[O-])O4)cnc23)O1)[O-],
,,,G2R:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)O)N=C(NC2=O)N,
,,2O3S,,,,,,,
,,,CXR:A:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,,CXR:B:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,3DZI,,,,,,,
,,,GTP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,N:B:301,invalid,,,,,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,,,RGT:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)nc(nc2O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,2I67,,,,,,,
,,,APR:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,3DZK,,,,,,,
,,,NMN:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,3DZH,,,,,,,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4TMF,,,,,,,
,,,JS2:B:401,valid,,,,,C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1,
,,,JS2:A:401,valid,,,,,C1=Nc2c(nc(n2CCCCOP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@H](O3)O)O)O)N)C(=O)N1,
,,3DZJ,,,,,,,
,,,NMN:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,2O3Q,,,,,,,
,,,CXR:A:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,,CXR:B:301,valid,,,,,[H]/N=C/1c2c3n(cn2)C4C(C(C(O4)COP(=O)(OP(=O)(OCC5C(C(C(N1C=N3)O5)O)O)O)O)O)O,
,,2O3T,,,,,,,
,,,CGR:A:301,valid,,,,,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3CN([C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O[P@](=O)(O1)O)O)O)O)C5=C3C(=O)NC(=N5)N)O)O,
,,2I65,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.14.13.98,,,,,,,,,
,Family. Representative Entry is ,3MDV,,,,,,,
,,,CL6:A:506,valid,Kd,=,4,nM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,CL6:B:506,valid,Kd,=,4,nM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,HEM:A:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3MDM,,,,,,,
,,,FJZ:A:506,valid,,,,,c1c([nH]cn1)C2CCN(CC2)C(=S)NC3CCCCC3,
,,,HEM:A:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4ENH,,,,,,,
,,,FVX:A:602,valid,Ki,=,1.7,uM,COCCCC/C(=NOCCN)/c1ccc(cc1)C(F)(F)F,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2Q9F,,,,,,,
,,,C3S:A:600,valid,Kd,=,7,nM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,GOL:A:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:932,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:935,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:936,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4FIA,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,0U9:A:601,valid,Kd,=,2.9,uM,C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,,198:A:602,valid,Kd,=,1.8,uM,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4J14,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,X2N:A:602,valid,Kd,=,30,nM,CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F,
,,3MDT,,,,,,,
,,,HEM:A:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VOR:A:506,valid,Kd,=,5,nM,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,,VOR:B:506,valid,Kd,=,5,nM,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,3MDR,,,,,,,
,,,GJZ:A:506,valid,,,,,c1ccc(cc1)[C@@H]2C[C@H]2N,
,,,GJZ:B:506,valid,,,,,c1ccc(cc1)[C@@H]2C[C@H]2N,
,,,HEM:A:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:505,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
1.2.2.2,,,,,,,,,
,Family. Representative Entry is ,3EYA,,,,,,,
,,,FAD:A:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:L:612,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:613,Part of Protein,,,,,[Mg+2],
,,,MG:B:613,Part of Protein,,,,,[Mg+2],
,,,MG:C:613,Part of Protein,,,,,[Mg+2],
,,,MG:D:613,Part of Protein,,,,,[Mg+2],
,,,MG:E:613,Part of Protein,,,,,[Mg+2],
,,,MG:F:613,Part of Protein,,,,,[Mg+2],
,,,MG:G:613,Part of Protein,,,,,[Mg+2],
,,,MG:H:613,Part of Protein,,,,,[Mg+2],
,,,MG:I:613,Part of Protein,,,,,[Mg+2],
,,,MG:J:613,Part of Protein,,,,,[Mg+2],
,,,MG:K:613,Part of Protein,,,,,[Mg+2],
,,,MG:L:613,Part of Protein,,,,,[Mg+2],
,,,PO4:A:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:617,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:618,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:619,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:617,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:618,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:619,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:620,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:615,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:616,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:617,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:618,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TDP:A:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:D:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:E:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:F:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:G:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:H:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:I:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:J:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:K:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:L:611,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
4.2.1.101,,,,,,,,,
,Family. Representative Entry is ,2VSU,,,,,,,
,,,ACO:A:1250,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1251,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1250,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:E:1250,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:1249,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,V55:D:1251,valid,,,,,COc1cc(ccc1O)C=O,
,Family. Representative Entry is ,2VSS,,,,,,,
,,,ACO:B:1251,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1249,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:E:1250,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:1249,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,V55:D:1250,valid,,,,,COc1cc(ccc1O)C=O,
5.1.3.20,,,,,,,,,
,Family. Representative Entry is ,1EQ2,,,,,,,
,,,ADQ:A:2500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:B:2501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:C:2502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:D:2503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:E:2504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:F:2505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:G:2506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:H:2507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:I:2508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:J:2509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,NAP:A:2400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:2403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:2404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:2405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:2406,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:2407,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:2408,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:2409,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2X6T,,,,,,,
,,,ADP BMA:A:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:B:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:C:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:D:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:E:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:F:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:G:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:H:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:I:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ADP BMA:J:1320,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,CL:G:1312,invalid,,,,,[Cl-],
,,,CL:G:1313,invalid,,,,,[Cl-],
,,,GOL:A:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1310,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.1.1.33,,,,,,,,,
,Family. Representative Entry is ,2VDV,,,,,,,
,,,SAM:E:1287,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:F:1287,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3DXY,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:248,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:1,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DXZ,,,,,,,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:248,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.60,,,,,,,,,
,Family. Representative Entry is ,6JQB,,,,,,,
,,,7SA:A:605,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1JDC,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1QI4,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1QPK,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1QI3,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1JDD,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1QI5,,,,,,,
,,,CA:A:451,Part of Protein,,,,,[Ca+2],
,,,CA:A:452,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
3.1.1.-,,,,,,,,,
,Family. Representative Entry is ,6RU1,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,XYP XYP GCV:C:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(O)OC2)O1,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:B:509,Part of Protein,,,,,[Na+],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,6RV7,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,XYL XYP XYP GCV:C:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC(C(O)C(O)CO)CO)OC2)O1,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,6RV9,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,XYL XYP XYP GCV XYP:C:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)CO3)COC2OC2C(O)C(O)C(OC(C(O)C(O)CO)CO)OC2)O1,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1XZC,,,,,,,
,,,PMB:A:801,valid,,,,,c1cc(ccc1S(=O)(=O)O)[Hg],
,Family. Representative Entry is ,5HC0,,,,,,,
,,,NPO:A:407,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:402,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ACY:A:406,invalid,,,,,CC(=O)O,
,,5HC2,,,,,,,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,NPO:B:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:D:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:C:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,Family. Representative Entry is ,3QM1,,,,,,,
,,,CL:A:288,invalid,,,,,[Cl-],
,,,CL:A:289,invalid,,,,,[Cl-],
,,,CL:A:290,invalid,,,,,[Cl-],
,,,CL:A:291,invalid,,,,,[Cl-],
,,,CL:A:292,invalid,,,,,[Cl-],
,,,CL:A:293,invalid,,,,,[Cl-],
,,,CL:A:294,invalid,,,,,[Cl-],
,,,CL:A:295,invalid,,,,,[Cl-],
,,,CL:A:296,invalid,,,,,[Cl-],
,,,CL:A:297,invalid,,,,,[Cl-],
,,,CL:A:298,invalid,,,,,[Cl-],
,,,CL:A:299,invalid,,,,,[Cl-],
,,,CL:A:300,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,NA:A:246,Part of Protein,,,,,[Na+],
,,,NA:A:247,Part of Protein,,,,,[Na+],
,,,NA:A:248,Part of Protein,,,,,[Na+],
,,,NA:A:249,Part of Protein,,,,,[Na+],
,,,NA:A:250,Part of Protein,,,,,[Na+],
,,,NA:A:251,Part of Protein,,,,,[Na+],
,,,NA:A:252,Part of Protein,,,,,[Na+],
,,,NA:A:253,Part of Protein,,,,,[Na+],
,,,NA:A:254,Part of Protein,,,,,[Na+],
,,,NA:A:255,Part of Protein,,,,,[Na+],
,,,NA:A:256,Part of Protein,,,,,[Na+],
,,,NA:A:257,Part of Protein,,,,,[Na+],
,,,NA:A:258,Part of Protein,,,,,[Na+],
,,,NA:A:259,Part of Protein,,,,,[Na+],
,,,NA:A:260,Part of Protein,,,,,[Na+],
,,,NA:A:261,Part of Protein,,,,,[Na+],
,,,NA:A:262,Part of Protein,,,,,[Na+],
,,,NA:A:263,Part of Protein,,,,,[Na+],
,,,NA:A:264,Part of Protein,,,,,[Na+],
,,,NA:A:265,Part of Protein,,,,,[Na+],
,,,NA:A:266,Part of Protein,,,,,[Na+],
,,,NA:A:267,Part of Protein,,,,,[Na+],
,,,NA:A:268,Part of Protein,,,,,[Na+],
,,,NA:A:269,Part of Protein,,,,,[Na+],
,,,NA:A:270,Part of Protein,,,,,[Na+],
,,,NA:A:271,Part of Protein,,,,,[Na+],
,,,NA:A:272,Part of Protein,,,,,[Na+],
,,,NA:A:273,Part of Protein,,,,,[Na+],
,,,NA:A:274,Part of Protein,,,,,[Na+],
,,,NA:A:275,Part of Protein,,,,,[Na+],
,,,NA:A:276,Part of Protein,,,,,[Na+],
,,,NA:A:277,Part of Protein,,,,,[Na+],
,,,NA:A:278,Part of Protein,,,,,[Na+],
,,,NA:A:279,Part of Protein,,,,,[Na+],
,,,NA:A:280,Part of Protein,,,,,[Na+],
,,,NA:A:281,Part of Protein,,,,,[Na+],
,,,NA:A:282,Part of Protein,,,,,[Na+],
,,,NA:A:283,Part of Protein,,,,,[Na+],
,,,NA:A:284,Part of Protein,,,,,[Na+],
,,,NA:A:285,Part of Protein,,,,,[Na+],
,,,NA:A:286,Part of Protein,,,,,[Na+],
,,,NA:A:287,Part of Protein,,,,,[Na+],
,,,ZYC:A:245,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)OC)O,
,,3S2Z,,,,,,,
,,,CL:A:250,invalid,,,,,[Cl-],
,,,CL:A:251,invalid,,,,,[Cl-],
,,,CL:A:252,invalid,,,,,[Cl-],
,,,CL:A:253,invalid,,,,,[Cl-],
,,,CL:A:254,invalid,,,,,[Cl-],
,,,CL:A:255,invalid,,,,,[Cl-],
,,,CL:A:256,invalid,,,,,[Cl-],
,,,CL:A:257,invalid,,,,,[Cl-],
,,,CL:A:258,invalid,,,,,[Cl-],
,,,CL:B:250,invalid,,,,,[Cl-],
,,,CL:B:251,invalid,,,,,[Cl-],
,,,CL:B:252,invalid,,,,,[Cl-],
,,,CL:B:253,invalid,,,,,[Cl-],
,,,CL:B:254,invalid,,,,,[Cl-],
,,,CL:B:255,invalid,,,,,[Cl-],
,,,CL:B:256,invalid,,,,,[Cl-],
,,,DHC:A:259,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:B:257,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,3PFC,,,,,,,
,,,CL:A:254,invalid,,,,,[Cl-],
,,,CL:A:255,invalid,,,,,[Cl-],
,,,CL:A:256,invalid,,,,,[Cl-],
,,,CL:A:257,invalid,,,,,[Cl-],
,,,CL:A:258,invalid,,,,,[Cl-],
,,,CL:A:259,invalid,,,,,[Cl-],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,CL:A:261,invalid,,,,,[Cl-],
,,,CL:A:262,invalid,,,,,[Cl-],
,,,CL:A:263,invalid,,,,,[Cl-],
,,,CL:A:264,invalid,,,,,[Cl-],
,,,FER:A:250,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,NA:A:251,invalid,,,,,[Na+],
,,,NA:A:252,invalid,,,,,[Na+],
,,,NA:A:253,invalid,,,,,[Na+],
,,,PE4:A:265,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,3PFB,,,,,,,
,,,CL:A:255,invalid,,,,,[Cl-],
,,,CL:B:261,invalid,,,,,[Cl-],
,,,CL:B:262,invalid,,,,,[Cl-],
,,,CL:B:263,invalid,,,,,[Cl-],
,,,NH4:A:250,invalid,,,,,[NH4+],
,,,NH4:A:251,invalid,,,,,[NH4+],
,,,NH4:A:252,invalid,,,,,[NH4+],
,,,NH4:A:253,invalid,,,,,[NH4+],
,,,NH4:A:254,invalid,,,,,[NH4+],
,,,NH4:B:250,invalid,,,,,[NH4+],
,,,NH4:B:251,invalid,,,,,[NH4+],
,,,NH4:B:252,invalid,,,,,[NH4+],
,,,NH4:B:253,invalid,,,,,[NH4+],
,,,NH4:B:254,invalid,,,,,[NH4+],
,,,NH4:B:255,invalid,,,,,[NH4+],
,,,NH4:B:256,invalid,,,,,[NH4+],
,,,NH4:B:257,invalid,,,,,[NH4+],
,,,NH4:B:258,invalid,,,,,[NH4+],
,,,NH4:B:259,invalid,,,,,[NH4+],
,,,NH4:B:260,invalid,,,,,[NH4+],
,,,ZYC:A:256,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)OC)O,
,,,ZYC:B:264,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)OC)O,
,Family. Representative Entry is ,5W7M,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6RV8,,,,,,,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,XYL XYP XYP GCV:C:1,invalid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC(C(O)C(O)CO)CO)OC2)O1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,2BR6,,,,,,,
,,,GOL:A:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1254,invalid,,,,,C(C(CO)O)O,
,,,HSL:A:1255,valid,Ki,=,1.1,mM,C1COC(=O)[C@H]1N,
,,,ZN:A:1251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1252,Part of Protein,,,,,[Zn+2],
,,3DHA,,,,,,,
,,,C6L:A:257,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,,GOL:A:258,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:259,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:261,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:255,Part of Protein,,,,,[Zn+2],
,,,ZN:A:256,Part of Protein,,,,,[Zn+2],
,,3DHB,,,,,,,
,,,C6L:A:253,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,,GOL:A:254,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:255,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:256,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:257,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:258,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:259,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:260,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:252,Part of Protein,,,,,[Zn+2],
,,4J5H,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,1K4:A:303,valid,,,,,CCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,3DHC,,,,,,,
,,,CYK:A:253,valid,,,,,CCCCCC(=O)N[C@@H](CCS)C(=O)O,
,,,GOL:A:254,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:255,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:256,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:257,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:258,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:259,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:252,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3H2K,,,,,,,
,,,BOG:A:398,valid,Kd,=,76.7,uM,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:399,valid,Kd,=,76.7,uM,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
4.2.3.43,,,,,,,,,
,Family. Representative Entry is ,5ERM,,,,,,,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,CL:B:705,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,210:A:401,valid,,,,,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,
,,,210:B:704,valid,,,,,C(CN)C(O)(P(=O)(O)O)P(=O)(O)O,
1.1.1.133,,,,,,,,,
,Family. Representative Entry is ,1N2S,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,TRS:A:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
2.7.2.7,,,,,,,,,
,Family. Representative Entry is ,1SAZ,,,,,,,
,,,ACP:A:399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,NA:A:390,Part of Protein,,,,,[Na+],
1.1.2.7,,,,,,,,,
,Family. Representative Entry is ,5XM3,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,PQQ:C:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:A:701,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,6FKW,,,,,,,
,,,PQQ:C:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:D:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:A:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,EU:C:601,invalid,,,,,[Eu+2],
,,,EU:D:601,invalid,,,,,[Eu+2],
,,,EU:A:601,invalid,,,,,[Eu+2],
,,,EU:B:601,invalid,,,,,[Eu+2],
,,4MAE,,,,,,,
,,,PQQ:A:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:602,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,CE:B:601,invalid,,,,,[Ce+3],
,,,CE:A:601,invalid,,,,,[Ce+3],
,,,15P:B:603,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:603,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
2.6.1.87,,,,,,,,,
,Family. Representative Entry is ,1MDZ,,,,,,,
,,,DCS:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4OCA,,,,,,,
,,,2QR:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H]2CO[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O,
,,1MDX,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:400,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1MDO,,,,,,,
,,,PMP:A:394,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
1.3.3.4,,,,,,,,,
,Family. Representative Entry is ,2IVD,,,,,,,
,,,ACJ:A:1465,valid,,,,,c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-],
,,,ACJ:B:1468,valid,,,,,c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-],
,,,FAD:A:1466,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1469,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1467,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1470,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1471,invalid,,,,,C(C(CO)O)O,
,,,TWN:B:1472,invalid,,,,,CCCCCCCCCCCC(=O)OCC[C@H](C)[C@H]1[C@H]([C@H](CO1)C)C,
,Family. Representative Entry is ,3NKS,,,,,,,
,,,ACJ:A:478,valid,,,,,c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)O)[N+](=O)[O-],
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:968,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:969,invalid,,,,,C(C(CO)O)O,
2.6.1.7,,,,,,,,,
,Family. Representative Entry is ,6T8P,,,,,,,
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,MVT:A:501,valid,ic50,=,880,nM,CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F,
,,,MVT:A:503,valid,ic50,=,880,nM,CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F,
,,,MVT:A:502,valid,ic50,=,880,nM,CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F,
,,,MVT:B:501,valid,ic50,=,880,nM,CC(C)[C@@H](Cc1nnc(s1)NS(=O)(=O)c2cc(cc(c2)F)F)c3cccc(c3)F,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,3DC1,,,,,,,
,,,AKG:A:426,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:A:427,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:428,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:429,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:426,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:427,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:426,invalid,,,,,C(C(CO)O)O,
,,4GEB,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0LD:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O,
,,,0LD:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=Cc3cn(nc3N(C2=O)O)c4ccccc4)O,
,,2XH1,,,,,,,
,,,BF5 PLP:A:1426,valid,,,,,P(=O)(OCc1c(CNN2CCN(c3c(F)cc4C(=O)C(C(=O)[O-])=CN5C(C)COc3c45)CC2)c(O)c(C)nc1)([O-])[O-],
,,,BF5 PLP:B:1426,valid,,,,,P(=O)(OCc1c(CNN2CCN(c3c(F)cc4C(=O)C(C(=O)[O-])=CN5C(C)COc3c45)CC2)c(O)c(C)nc1)([O-])[O-],
,,,GOL:B:1428,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1428,invalid,,,,,[I-],
,,2R2N,,,,,,,
,,,GOL:A:429,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:429,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:427,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:428,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:429,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:430,invalid,,,,,C(C(CO)O)O,
,,,KYN:A:427,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,KYN:A:428,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,KYN:C:427,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,KYN:C:428,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,PMP:A:426,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:426,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:426,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:426,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,2R5E,,,,,,,
,,,QLP:A:430,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O,
,,,QLP:B:430,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)N)C(=O)O)O,
,,1YIY,,,,,,,
,,,BR:A:602,invalid,,,,,[Br-],
,,,BR:A:603,invalid,,,,,[Br-],
,,,BR:A:605,invalid,,,,,[Br-],
,,,BR:B:601,invalid,,,,,[Br-],
,,,BR:B:604,invalid,,,,,[Br-],
,,,PMP:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,5VEQ,,,,,,,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:508,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,PG4:B:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,3E2Y,,,,,,,
,,,GOL:A:458,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:459,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:458,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:459,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:457,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:456,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,2R5C,,,,,,,
,,,C6P:B:430,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,Family. Representative Entry is ,3FVU,,,,,,,
,,,GOL:A:424,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:425,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:426,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:424,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:425,invalid,,,,,C(C(CO)O)O,
,,,IAC:A:423,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:B:423,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,NA:A:427,Part of Protein,,,,,[Na+],
,,,NA:B:426,Part of Protein,,,,,[Na+],
1.14.13.7,,,,,,,,,
,Family. Representative Entry is ,1PN0,,,,,,,
,,,CL:A:6001,invalid,,,,,[Cl-],
,,,CL:B:6002,invalid,,,,,[Cl-],
,,,CL:C:6003,invalid,,,,,[Cl-],
,,,CL:D:6004,invalid,,,,,[Cl-],
,,,FAD:A:6011,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:6021,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:6031,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:6041,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IPH:A:6012,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:6022,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:6032,valid,,,,,c1ccc(cc1)O,
,,,IPH:D:6042,valid,,,,,c1ccc(cc1)O,
,,1FOH,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IPH:A:802,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:802,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:802,valid,,,,,c1ccc(cc1)O,
,,,IPH:D:802,valid,,,,,c1ccc(cc1)O,
2.7.7.79,,,,,,,,,
,Family. Representative Entry is ,3WBZ,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:H:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,invalid,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:G:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:G:405,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:E:405,invalid,,,,,[Mg+2],
,,,MG:E:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,invalid,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:G:403,Part of Protein,,,,,[Mg+2],
,,,MG:H:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:H:405,invalid,,,,,[Mg+2],
,,,MG:C:405,invalid,,,,,[Mg+2],
,,,MG:D:405,invalid,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.3.1.42,,,,,,,,,
,Family. Representative Entry is ,2HSA,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HS8,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2HS6,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:3158,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:3158,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3HGO,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3HGS,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PHB:A:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,Family. Representative Entry is ,1ICP,,,,,,,
,,,2PE:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ICS,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3HGR,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PHB:A:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1ICQ,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,OPD:A:503,valid,,,,,CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O,
,,,OPD:B:504,valid,,,,,CCC=CC[C@@H]1[C@@H](C=CC1=O)CCCCCCCC(=O)O,
,Family. Representative Entry is ,2Q3O,,,,,,,
,,,FMN:A:7401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:9401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1Q45,,,,,,,
,,,FMN:A:7401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:9401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2Q3R,,,,,,,
,,,FMN:A:373,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1VJI,,,,,,,
,,,FMN:A:373,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.4.22.60,,,,,,,,,
,Family. Representative Entry is ,2QL9,,,,,,,
,,,ACE ASP GLN MET ASJ:E:701,Part of Protein,,,,,,
,,,ACE ASP GLN MET ASJ:F:801,Part of Protein,,,,,,
,,,CIT:D:850,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLN GLY HIS GLY GLU:G:810,valid,Ki,=,0.94,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CCC(=O)N)Cc1nc[nH]c1)CCC(=O)[O-],
,,2QL5,,,,,,,
,,,CIT:D:850,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLN GLY HIS GLY GLU:G:810,valid,Ki,=,8,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CCC(=O)N)Cc1nc[nH]c1)CCC(=O)[O-],
,,,ACE ASP MET GLN ASJ:E:701,Part of Protein,,,,,,
,,,ACE ASP MET GLN ASJ:F:801,Part of Protein,,,,,,
,,2QL7,,,,,,,
,,,ACE ILE GLU PRO ASJ:E:701,Part of Protein,,,,,O=C(NC(C(=O)N1C(C(=O)NC(CO)CC(=O)[O-])CCC1)CCC(=O)[O-])C(NC(=O)C)C(CC)C,
,,,ACE ILE GLU PRO ASJ:F:801,Part of Protein,,,,,O=C(NC(C(=O)N1C(C(=O)NC(CO)CC(=O)[O-])CCC1)CCC(=O)[O-])C(NC(=O)C)C(CC)C,
,,,CIT:D:850,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLN GLY HIS GLY GLU:G:810,valid,Ki,=,550,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CCC(=O)N)Cc1nc[nH]c1)CCC(=O)[O-],
,,2QLB,,,,,,,
,,,ACE GLU SER MET ASJ:E:701,Part of Protein,,,,,,
,,,ACE GLU SER MET ASJ:F:801,Part of Protein,,,,,,
,,,CIT:D:850,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLN GLY HIS GLY GLU:G:810,valid,Ki,=,1300,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C([NH3+])CCC(=O)N)Cc1nc[nH]c1)CCC(=O)[O-],
3.11.1.2,,,,,,,,,
,Family. Representative Entry is ,1EI6,,,,,,,
,,,PPF:A:410,valid,,,,,C(=O)(O)P(=O)(O)O,
,,,PPF:C:413,valid,,,,,C(=O)(O)P(=O)(O)O,
,,,PPF:D:412,valid,,,,,C(=O)(O)P(=O)(O)O,
,,,TLA:B:411,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:409,Part of Protein,,,,,[Zn+2],
,,,ZN:C:408,Part of Protein,,,,,[Zn+2],
,,,ZN:C:409,Part of Protein,,,,,[Zn+2],
,,,ZN:D:408,Part of Protein,,,,,[Zn+2],
,,,ZN:D:409,Part of Protein,,,,,[Zn+2],
3.8.1.2,,,,,,,,,
,Family. Representative Entry is ,1QH9,,,,,,,
,,,LAC:A:300,valid,,,,,C[C@H](C(=O)O)O,
3.5.2.15,,,,,,,,,
,Family. Representative Entry is ,6BUM,,,,,,,
,,,PDO:C:406,invalid,,,,,C(CO)CO,
,,,PDO:A:409,invalid,,,,,C(CO)CO,
,,,PDO:A:410,invalid,,,,,C(CO)CO,
,,,PDO:B:407,invalid,,,,,C(CO)CO,
,,,PDO:B:408,invalid,,,,,C(CO)CO,
,,,PDO:B:404,invalid,,,,,C(CO)CO,
,,,PDO:A:408,invalid,,,,,C(CO)CO,
,,,PDO:D:403,invalid,,,,,C(CO)CO,
,,,PDO:C:408,invalid,,,,,C(CO)CO,
,,,PDO:A:403,invalid,,,,,C(CO)CO,
,,,PDO:C:405,invalid,,,,,C(CO)CO,
,,,PDO:A:406,invalid,,,,,C(CO)CO,
,,,PDO:C:404,invalid,,,,,C(CO)CO,
,,,PDO:B:409,invalid,,,,,C(CO)CO,
,,,PDO:C:407,invalid,,,,,C(CO)CO,
,,,PDO:B:405,invalid,,,,,C(CO)CO,
,,,PDO:C:409,invalid,,,,,C(CO)CO,
,,,PDO:A:407,invalid,,,,,C(CO)CO,
,,,PDO:D:405,invalid,,,,,C(CO)CO,
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PDO:C:403,invalid,,,,,C(CO)CO,
,,,PDO:D:404,invalid,,,,,C(CO)CO,
,,,PDO:B:406,invalid,,,,,C(CO)CO,
,,,PDO:A:405,invalid,,,,,C(CO)CO,
,,,MLI:B:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,6BUR,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,BR8:D:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,BR8:B:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,BR8:A:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,BR8:C:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,MLI:A:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6BUN,,,,,,,
,,,PDO:C:406,invalid,,,,,C(CO)CO,
,,,PDO:A:406,invalid,,,,,C(CO)CO,
,,,PDO:C:404,invalid,,,,,C(CO)CO,
,,,PDO:D:406,invalid,,,,,C(CO)CO,
,,,PDO:B:407,invalid,,,,,C(CO)CO,
,,,PDO:A:408,invalid,,,,,C(CO)CO,
,,,PDO:A:407,invalid,,,,,C(CO)CO,
,,,PDO:D:405,invalid,,,,,C(CO)CO,
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PDO:D:403,invalid,,,,,C(CO)CO,
,,,PDO:D:404,invalid,,,,,C(CO)CO,
,,,PDO:D:407,invalid,,,,,C(CO)CO,
,,,PDO:B:406,invalid,,,,,C(CO)CO,
,,,PDO:A:405,invalid,,,,,C(CO)CO,
,,,PDO:C:405,invalid,,,,,C(CO)CO,
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:407,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:408,invalid,,,,,[Ca+2],
,,,MLI:B:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:404,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,6BUQ,,,,,,,
,,,PDO:C:406,invalid,,,,,C(CO)CO,
,,,PDO:C:404,invalid,,,,,C(CO)CO,
,,,PDO:B:404,invalid,,,,,C(CO)CO,
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PDO:D:403,invalid,,,,,C(CO)CO,
,,,PDO:C:403,invalid,,,,,C(CO)CO,
,,,PDO:B:403,invalid,,,,,C(CO)CO,
,,,PDO:A:405,invalid,,,,,C(CO)CO,
,,,PDO:C:405,invalid,,,,,C(CO)CO,
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,BR8:D:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,BR8:B:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,BR8:C:401,valid,,,,,C1C(=O)NC(=O)NC1=O,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,PEG:D:404,invalid,,,,,C(COCCO)O,
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6BUP,,,,,,,
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,PDO:C:406,invalid,,,,,C(CO)CO,
,,,PDO:A:406,invalid,,,,,C(CO)CO,
,,,PDO:C:404,invalid,,,,,C(CO)CO,
,,,PDO:C:407,invalid,,,,,C(CO)CO,
,,,PDO:B:405,invalid,,,,,C(CO)CO,
,,,PDO:B:404,invalid,,,,,C(CO)CO,
,,,PDO:A:408,invalid,,,,,C(CO)CO,
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PDO:B:406,invalid,,,,,C(CO)CO,
,,,PDO:A:403,invalid,,,,,C(CO)CO,
,,,PDO:A:405,invalid,,,,,C(CO)CO,
,,,WDL:C:402,valid,,,,,c1(nc(nc(n1)O)O)O,
,,,WDL:C:405,valid,,,,,c1(nc(nc(n1)O)O)O,
,,,WDL:B:402,valid,,,,,c1(nc(nc(n1)O)O)O,
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MLI:B:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,6CWJ,,,,,,,
,,,CA:D:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,6JN:C:401,valid,,,,,C(C(=O)CC(=O)O)C(=O)O,
,,,6JN:B:401,valid,,,,,C(C(=O)CC(=O)O)C(=O)O,
,,,6JN:D:402,valid,,,,,C(C(=O)CC(=O)O)C(=O)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:D:401,invalid,,,,,CC(=O)[O-],
,,,ACT:D:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,PDO:B:403,invalid,,,,,C(CO)CO,
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6BUO,,,,,,,
,,,PDO:C:406,invalid,,,,,C(CO)CO,
,,,PDO:A:409,invalid,,,,,C(CO)CO,
,,,PDO:B:411,invalid,,,,,C(CO)CO,
,,,PDO:A:410,invalid,,,,,C(CO)CO,
,,,PDO:B:407,invalid,,,,,C(CO)CO,
,,,PDO:B:408,invalid,,,,,C(CO)CO,
,,,PDO:B:404,invalid,,,,,C(CO)CO,
,,,PDO:A:408,invalid,,,,,C(CO)CO,
,,,PDO:A:411,invalid,,,,,C(CO)CO,
,,,PDO:A:403,invalid,,,,,C(CO)CO,
,,,PDO:C:405,invalid,,,,,C(CO)CO,
,,,PDO:A:412,invalid,,,,,C(CO)CO,
,,,PDO:A:406,invalid,,,,,C(CO)CO,
,,,PDO:C:404,invalid,,,,,C(CO)CO,
,,,PDO:B:409,invalid,,,,,C(CO)CO,
,,,PDO:B:410,invalid,,,,,C(CO)CO,
,,,PDO:C:407,invalid,,,,,C(CO)CO,
,,,PDO:B:405,invalid,,,,,C(CO)CO,
,,,PDO:A:407,invalid,,,,,C(CO)CO,
,,,PDO:A:404,invalid,,,,,C(CO)CO,
,,,PDO:C:403,invalid,,,,,C(CO)CO,
,,,PDO:B:403,invalid,,,,,C(CO)CO,
,,,PDO:B:406,invalid,,,,,C(CO)CO,
,,,PDO:A:405,invalid,,,,,C(CO)CO,
,,,MLI:B:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
2.3.2.12,,,,,,,,,
,Family. Representative Entry is ,2WTS,,,,,,,
,,,ALA:A:1216,valid,,,,,C[C@@H](C(=O)O)N,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1217,invalid,,,,,C(C(CO)O)O,
1.1.1.311,,,,,,,,,
,Family. Representative Entry is ,4URF,,,,,,,
,,,MG:A:1255,Part of Protein,,,,,[Mg+2],
,,,MG:B:1254,Part of Protein,,,,,[Mg+2],
,,,MG:A:1256,invalid,,,,,[Mg+2],
,,,MG:A:1257,invalid,,,,,[Mg+2],
,,,MG:A:1254,Part of Protein,,,,,[Mg+2],
,,,ACT:A:1250,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1253,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1250,invalid,,,,,CC(=O)[O-],
,,,NAD:A:1249,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1249,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,BCT:B:1252,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1253,invalid,,,,,C(=O)(O)[O-],
,,,1PS:B:1251,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:1251,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:1252,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,4URE,,,,,,,
,,,MG:A:1250,Part of Protein,,,,,[Mg+2],
,,,MG:B:1251,Part of Protein,,,,,[Mg+2],
,,,SO4:B:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PS:B:1250,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,ACT:B:1253,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1254,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1252,invalid,,,,,CC(=O)[O-],
4.2.2.1,,,,,,,,,
,Family. Representative Entry is ,1LXM,,,,,,,
,,,NAG BDP NAG BDP NAG BDP:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)=C(C(=O)[O-])O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(CO)OC(O)C4NC(=O)C)OC3C(=O)[O-])C2NC(=O)C)OC1C(=O)[O-])C,
,,1I8Q,,,,,,,
,,,NAG GC4:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(CO)OC1O)C,
,,,NAG GC4:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,2WDA,,,,,,,
,,,FMT:A:1766,invalid,,,,,C(=O)O,
,,,FMT:A:1767,invalid,,,,,C(=O)O,
,,,FMT:A:1768,invalid,,,,,C(=O)O,
,,,FMT:A:1769,invalid,,,,,C(=O)O,
,,,FMT:A:1770,invalid,,,,,C(=O)O,
,,,GOL:A:1771,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1772,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1773,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1783,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1774,invalid,,,,,C(COCCO)O,
,,,PEG:A:1775,invalid,,,,,C(COCCO)O,
,,,PEG:A:1776,invalid,,,,,C(COCCO)O,
,,,PEG:A:1777,invalid,,,,,C(COCCO)O,
,,,PEG:A:1778,invalid,,,,,C(COCCO)O,
,,,PEG:A:1779,invalid,,,,,C(COCCO)O,
,,,PEG:A:1780,invalid,,,,,C(COCCO)O,
,,,PEG:A:1781,invalid,,,,,C(COCCO)O,
,,,PEG:A:1782,invalid,,,,,C(COCCO)O,
,,,ASG GCD:B:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,2WCO,,,,,,,
,,,FMT:A:1767,invalid,,,,,C(=O)O,
,,,FMT:A:1768,invalid,,,,,C(=O)O,
,,,GOL:A:1766,invalid,,,,,C(C(CO)O)O,
,,,NAG GC4:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1W3Y,,,,,,,
,,,PVC:A:1891,valid,ic50,=,100,uM,CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@H](/C(=C(C(=O)O)/O)/O)O)O,
,,,SO4:A:1895,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1896,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1897,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1898,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYL:A:1892,invalid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:A:1893,invalid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1LXK,,,,,,,
,,,NAG BDP NAG BDP:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(CO)OC1OC1C(=C(O)[O-])OC(OC2C(O)C(CO)OC(O)C2NC(=O)C)C(O)C1O)C,
,,1OJM,,,,,,,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NGA GCD:B:1,valid,,,,,,
,,1C82,,,,,,,
,,,CAC:A:905,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:907,invalid,,,,,C[As](=O)(C)[O-],
,,,NA:A:906,invalid,,,,,[Na+],
,,,NA:A:908,invalid,,,,,[Na+],
,,,NAG GCD:B:1,valid,,,,,,
,,,NAG GCD:C:1,valid,,,,,,
,,2BRP,,,,,,,
,,,SIE:A:1000,valid,ic50,>,100,uM,CCCCCCCCCCn1c2cc(ccc2cc1c3ccc(cc3)OS(=O)(=O)N)OS(=O)(=O)N,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XLS:A:1100,invalid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:1101,invalid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:1102,invalid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,1LOH,,,,,,,
,,,NAG BDP NAG BDP NAG BDP:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)=C(C(=O)[O-])O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(CO)OC(O)C4NC(=O)C)OC3C(=O)[O-])C2NC(=O)C)OC1C(=O)[O-])C,
,,1F9G,,,,,,,
,,,ASC:A:950,valid,Ki,=,53,mM,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,1OJN,,,,,,,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NG6 GCD:B:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,1OJO,,,,,,,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASG GCD:B:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,1OJP,,,,,,,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NG6 GCD:B:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
2.4.2.8,,,,,,,,,
,Family. Representative Entry is ,1PZM,,,,,,,
,,,5GP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6APV,,,,,,,
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,3L4:B:301,valid,Ki,=,0.11,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:A:301,valid,Ki,=,0.11,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:D:301,valid,Ki,=,0.11,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:C:301,valid,Ki,=,0.11,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:C:304,invalid,,,,,C(COCCO)O,
,,,PEG:D:304,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,5KAM,,,,,,,
,,,MG:A:3304,Part of Protein,,,,,[Mg+2],
,,,MG:A:3305,Part of Protein,,,,,[Mg+2],
,,,MG:C:304,invalid,,,,,[Mg+2],
,,,MG:C:305,Part of Protein,,,,,[Mg+2],
,,,MG:C:306,Part of Protein,,,,,[Mg+2],
,,,SO4:A:3303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMP:C:301,valid,Ki,=,77.3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:3301,valid,Ki,=,77.3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,6APS,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,TRS:B:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SV2:A:301,valid,Ki,=,0.22,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,,SV2:B:301,valid,Ki,=,0.22,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,6APU,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,3L6:B:305,valid,Ki,=,13.46,uM,c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N,
,,,3L6:A:307,valid,Ki,=,13.46,uM,c1nc2c(n1CCN(CCCN)CCP(=O)(O)O)N=C(NC2=O)N,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5JSQ,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:B:304,invalid,,,,,[Mg+2],
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,6MS:A:301,valid,Ki,=,21.3,uM,c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N,
,,,6MS:B:301,valid,Ki,=,21.3,uM,c1nc2c(n1CCCCCCP(=O)(O)O)N=C(NC2=O)N,
,,6MXG,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XMP:B:301,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:A:301,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,6APT,,,,,,,
,,,45T:A:301,valid,Ki,=,0.89,uM,c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N,
,,,45T:B:301,valid,Ki,=,0.89,uM,c1nc2c(n1C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1HGX,,,,,,,
,,,5GP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1P19,,,,,,,
,,,IMP:A:1300,valid,Kd,=,76.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:2300,valid,Kd,=,76.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:3300,valid,Kd,=,76.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:4300,valid,Kd,=,76.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,1I0L,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:910,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1TC2,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,MN:B:910,invalid,,,,,[Mn+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1I0I,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:910,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1P18,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:910,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1TC1,,,,,,,
,,,FMB:A:900,valid,ic50,>,2,mM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:B:901,valid,ic50,>,2,mM,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MES:A:800,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:801,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1I14,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:910,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1I13,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:810,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,FMT:B:479,invalid,,,,,C(=O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:910,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
,,,PRP:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:811,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2JKY,,,,,,,
,,,5GP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XBU,,,,,,,
,,,5GP:A:1220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:1220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:1219,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1219,invalid,,,,,CC(=O)[O-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JBH,,,,,,,
,,,5GP:A:1230,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:1230,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:1228,Part of Protein,,,,,[Ca+2],
,,,CA:A:1229,Part of Protein,,,,,[Ca+2],
,,,CA:B:1228,Part of Protein,,,,,[Ca+2],
,,,CA:B:1229,Part of Protein,,,,,[Ca+2],
,,,PO4:A:1227,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1227,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3ACC,,,,,,,
,,,5GP:A:817,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DIO:A:991,invalid,,,,,C1COCCO1,
,,,DIO:A:992,invalid,,,,,C1COCCO1,
,,3ACD,,,,,,,
,,,DIO:A:591,invalid,,,,,C1COCCO1,
,,,DIO:A:592,invalid,,,,,C1COCCO1,
,,,IMP:A:552,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,Family. Representative Entry is ,1BZY,,,,,,,
,,,IMU:A:300,valid,Kd,=,4.6,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IMU:B:300,valid,Kd,=,4.6,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IMU:C:300,valid,Kd,=,4.6,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IMU:D:300,valid,Kd,=,4.6,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:900,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:900,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:900,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,POP:A:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4IJQ,,,,,,,
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,SV2:D:302,valid,Ki,=,0.03,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,,SV2:C:301,valid,Ki,=,0.03,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,,SV2:B:301,valid,Ki,=,0.03,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,,SV2:A:301,valid,Ki,=,0.03,uM,c1nc2c(n1CC(COCP(=O)(O)O)COCP(=O)(O)O)NC(=NC2=O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5W8V,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,9YP:B:301,valid,Ki,=,0.006,uM,c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N,
,,,9YP:A:301,valid,Ki,=,0.006,uM,c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N,
,,,9YP:C:301,valid,Ki,=,0.006,uM,c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N,
,,,9YP:D:301,valid,Ki,=,0.006,uM,c1nc2c(n1C[C@H](COCCP(=O)(O)O)COCP(=O)(O)O)N=C(NC2=O)N,
,,5BRN,,,,,,,
,,,4X2:C:302,valid,Ki,=,0.5,uM,c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O,
,,,4X2:B:302,valid,Ki,=,0.5,uM,c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O,
,,,4X2:D:302,valid,Ki,=,0.5,uM,c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O,
,,,4X2:A:302,valid,Ki,=,0.5,uM,c1nc2c(n1C[C@@H](CO)OCCP(=O)(O)O)N=CNC2=O,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,4RAC,,,,,,,
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,3L4:A:301,valid,Ki,=,0.03,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:B:301,valid,Ki,=,0.03,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:D:301,valid,Ki,=,0.03,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:C:301,valid,Ki,=,0.03,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,4RAO,,,,,,,
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,3L7:A:301,valid,Ki,=,1,uM,c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O,
,,,3L7:C:301,valid,Ki,=,1,uM,c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O,
,,,3L7:B:301,valid,Ki,=,1,uM,c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O,
,,,3L7:D:301,valid,Ki,=,1,uM,c1nc2c(n1CCN(CCO/C=C/P(=O)(O)O)CCP(=O)(O)O)N=CNC2=O,
,,4RAB,,,,,,,
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,3L3:A:301,valid,Ki,=,0.04,uM,C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N,
,,,3L3:C:301,valid,Ki,=,0.04,uM,C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N,
,,,3L3:B:301,valid,Ki,=,0.04,uM,C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N,
,,,3L3:D:301,valid,Ki,=,0.04,uM,C(CN(CCO/C=C/P(=O)(O)O)/C=C/P(=O)(O)O)n1c2c(nc1Br)C(=O)NC(=N2)N,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4RAD,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:H:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:F:303,Part of Protein,,,,,[Mg+2],
,,,MG:G:302,Part of Protein,,,,,[Mg+2],
,,,3L5:D:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:F:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:E:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:G:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:H:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:C:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:A:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,,3L5:B:301,valid,,,,,c1nc2c(n1CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)NC(=NC2=O)N,
,,1HMP,,,,,,,
,,,5GP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6BNJ,,,,,,,
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,WPG:C:301,valid,Ki,=,8,nM,c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,WPG:A:301,valid,Ki,=,8,nM,c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,WPG:B:301,valid,Ki,=,8,nM,c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,WPG:D:301,valid,Ki,=,8,nM,c1nc2c(n1[C@@H]3CN(C[C@H]3OC[C@H](O)P(=O)(O)O)C(=O)CCP(=O)(O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1QK3,,,,,,,
,,,5GP:A:300,valid,Kd,=,7.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:300,valid,Kd,=,7.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:300,valid,Kd,=,7.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:300,valid,Kd,=,7.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1QK4,,,,,,,
,,,IMP:A:300,valid,Kd,=,61,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:300,valid,Kd,=,61,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:300,valid,Kd,=,61,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:300,valid,Kd,=,61,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,1FSG,,,,,,,
,,,9DG:A:304,valid,ic50,=,9.5,uM,c1c[nH]c2c1N=C(NC2=O)N,
,,,9DG:C:304,valid,ic50,=,9.5,uM,c1c[nH]c2c1N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:C:301,invalid,,,,,[Mg+2],
,,,PRP:A:303,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:C:303,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1QK5,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,POP:A:301,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:301,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,XMP:A:300,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:B:300,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,1YFZ,,,,,,,
,,,ACT:A:1200,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2200,invalid,,,,,CC(=O)[O-],
,,,IMP:A:1210,valid,Ki,=,45,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:2210,valid,Ki,=,45,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:1191,Part of Protein,,,,,[Mg+2],
,,,MG:A:1192,Part of Protein,,,,,[Mg+2],
,,,MG:B:2191,Part of Protein,,,,,[Mg+2],
,,,MG:B:2192,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6D9R,,,,,,,
,,,ACT:B:209,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,ACT:B:208,invalid,,,,,CC(=O)[O-],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,invalid,,,,,[Mg+2],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:B:213,invalid,,,,,C(CO)O,
,,,EDO:B:210,invalid,,,,,C(CO)O,
,,,EDO:B:215,invalid,,,,,C(CO)O,
,,,EDO:B:214,invalid,,,,,C(CO)O,
,,,EDO:B:212,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,EDO:B:211,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,,PEG:B:207,invalid,,,,,C(COCCO)O,
,,,PEG:B:206,invalid,,,,,C(COCCO)O,
,,,PRP:A:202,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:202,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,9DG:A:201,valid,,,,,c1c[nH]c2c1N=C(NC2=O)N,
,,,9DG:B:201,valid,,,,,c1c[nH]c2c1N=C(NC2=O)N,
,,6D9S,,,,,,,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,PEG:B:204,invalid,,,,,C(COCCO)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,,G4P:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1DQN,,,,,,,
,,,IMU:A:300,valid,Ki,=,10,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IMU:B:301,valid,Ki,=,10,nM,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IPA:B:500,invalid,,,,,CC(C)O,
,,,MG:A:450,Part of Protein,,,,,[Mg+2],
,,,MG:A:451,Part of Protein,,,,,[Mg+2],
,,,POP:A:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1DQP,,,,,,,
,,,IMG:A:300,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMG:B:301,valid,,,,,c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IPA:A:499,invalid,,,,,CC(C)O,
,,,IPA:B:500,invalid,,,,,CC(C)O,
3.6.1.25,,,,,,,,,
,Family. Representative Entry is ,5A61,,,,,,,
,,,3PO:A:500,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,EDO:A:1000,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5A60,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,3PO:A:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
6.1.1.12,,,,,,,,,
,Family. Representative Entry is ,7AP4,,,,,,,
,,,RSN:B:601,valid,,,,,c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO,
,,,RSN:A:601,valid,,,,,c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)CO,
,,1G51,,,,,,,
,,,AMO:A:831,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,AMO:B:1831,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,AMP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:1901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SJC,,,,,,,
,,,DSZ:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,DSZ:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,Family. Representative Entry is ,3NEM,,,,,,,
,,,AMO:A:439,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,ATP:B:1039,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:1040,Part of Protein,,,,,[Mg+2],
,,,MG:B:1041,Part of Protein,,,,,[Mg+2],
,,,MG:B:1042,Part of Protein,,,,,[Mg+2],
,,1B8A,,,,,,,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:1600,Part of Protein,,,,,[Mn+2],
,,,MN:B:1601,Part of Protein,,,,,[Mn+2],
,,,MN:B:1602,Part of Protein,,,,,[Mn+2],
,,3NEL,,,,,,,
,,,ASP:A:500,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
2.1.1.13,,,,,,,,,
,Family. Representative Entry is ,3BOF,,,,,,,
,,,HCS:A:711,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:712,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,K:A:703,Part of Protein,,,,,[K+],
,,,K:B:704,Part of Protein,,,,,[K+],
,,,YT3:A:705,invalid,,,,,[Y+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,3BOL,,,,,,,
,,,HCS:B:710,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,K:A:703,Part of Protein,,,,,[K+],
,,,K:B:704,Part of Protein,,,,,[K+],
,,,YT3:A:705,invalid,,,,,[Y+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:703,Part of Protein,,,,,[Zn+2],
,,1Q8J,,,,,,,
,,,C2F:A:801,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:802,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:B:602,invalid,,,,,[Cd+2],
,,,HCS:A:701,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:702,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1Q8A,,,,,,,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:B:602,invalid,,,,,[Cd+2],
,,,HCS:A:701,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:702,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6BM5,,,,,,,
,,,SAM:A:1301,valid,Kd,=,1.43,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1MSK,,,,,,,
,,,ACT:A:1302,invalid,,,,,CC(=O)[O-],
,,,SAM:A:1301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6BM6,,,,,,,
,,,SAH:A:1301,valid,Kd,=,20.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6BDY,,,,,,,
,,,SFG:A:1301,valid,Kd,=,2.04,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
1.3.3.6,,,,,,,,,
,Family. Representative Entry is ,2DDH,,,,,,,
,,,FAD:A:699,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HXD:A:900,valid,,,,,CCCCCCCCC[C@H](CC(=O)O)O,
,,1IS2,,,,,,,
,,,FAD:A:699,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1699,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5Y9D,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1W07,,,,,,,
,,,CA:A:1661,Part of Protein,,,,,[Ca+2],
,,,CL:A:1662,invalid,,,,,[Cl-],
,,,CL:B:1661,invalid,,,,,[Cl-],
,,,FAD:A:1660,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1660,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PT:A:1663,invalid,,,,,[Pt+2],
,,,PT:A:1664,invalid,,,,,[Pt+2],
,,,PT:A:1665,invalid,,,,,[Pt+2],
,,,PT:B:1662,invalid,,,,,[Pt+2],
,,,PT:B:1663,invalid,,,,,[Pt+2],
,,,PT:B:1664,invalid,,,,,[Pt+2],
,Family. Representative Entry is ,5YS9,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.1.1.101,,,,,,,,,
,Family. Representative Entry is ,5XH2,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NPO:A:305,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,5XH3,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,856:A:301,valid,,,,,COC(=O)c1ccc(cc1)C(=O)OCCO,
2.7.1.105,,,,,,,,,
,Family. Representative Entry is ,2BIF,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BOG:A:510,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:555,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:525,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,F6P:A:520,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:550,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PO4:A:515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:530,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:545,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SIN:A:505,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:535,valid,,,,,C(CC(=O)O)C(=O)O,
,,1BIF,,,,,,,
,,,AGS:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,GOL:A:530,invalid,,,,,C(C(CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PO4:A:510,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:520,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3BIF,,,,,,,
,,,BOG:A:510,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:525,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PO4:A:515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:520,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SIN:A:505,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,1K6M,,,,,,,
,,,AGS:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5AK0,,,,,,,
,,,F6P:A:1449,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:1447,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1448,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,8V1:A:1450,valid,ic50,=,0.021,uM,Cn1cc(c2c1ccc(c2)Oc3ccc(cc3)NC(=O)[C@@H]4CCCN4)c5cnn(c5)C,
,,,PHS:A:1446,invalid,,,,,OP(=O)O,
,,2DWO,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,F6P:A:720,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PEP:A:701,valid,Ki,=,8.3,uM,C=C(C(=O)O)OP(=O)(O)O,
,,2AXN,,,,,,,
,,,ADP:A:738,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDT:A:737,invalid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,F6P:A:736,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,SER SER:A:731,invalid,,,,,,
,,6HVH,,,,,,,
,,,POP:A:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,F6P:A:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,FLC:A:603,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GV2:A:601,valid,ic50,=,0.047,uM,Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)NC6CCOCC6,
,,5AJY,,,,,,,
,,,PO4:A:1446,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,F6P:A:1447,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PHS:A:1445,invalid,,,,,OP(=O)O,
,,,87T:A:1448,valid,ic50,=,0.496,uM,Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN,
,,3QPV,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,F6P:A:720,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,FDP:A:524,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PHS:A:710,invalid,,,,,OP(=O)O,
,,6HVI,,,,,,,
,,,POP:A:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,F6P:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,FLC:A:604,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,GV5:A:601,valid,ic50,=,0.38,uM,CN(C)c1cccc(c1)c2cc(cc3c2nccn3)Nc4cnccc4S(=O)(=O)C,
,,2I1V,,,,,,,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,F6P:B:720,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,FDP:B:710,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PHS:B:730,invalid,,,,,OP(=O)O,
,,4MA4,,,,,,,
,,,MLA:A:602,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:605,invalid,,,,,C(C(=O)O)C(=O)O,
,,,GSH:A:604,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACY:A:603,invalid,,,,,CC(=O)O,
,,,F6P:A:606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,5AJW,,,,,,,
,,,F6P:A:1448,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:1447,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PHS:A:1446,invalid,,,,,OP(=O)O,
,,,S6L:A:1449,valid,ic50,=,0.104,uM,c1ccc(cc1)Cn2c3ccc(cc3c(c2N)C#N)Oc4ccc(cc4)NC(=O)CN,
,,3QPW,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:A:762,invalid,,,,,F[Al-](F)(F)F,
,,,CL:A:520,invalid,,,,,[Cl-],
,,,PEP:A:801,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,5AJZ,,,,,,,
,,,F6P:A:1447,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MJP:A:1449,valid,ic50,=,2.01,uM,c1cc(ccc1NC(=O)CN)Oc2ccc3c(c2)c(c[nH]3)C#N,
,,,PHS:A:1446,invalid,,,,,OP(=O)O,
,,,PO4:A:1448,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6HVJ,,,,,,,
,,,FLC:A:604,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GV8:A:601,valid,ic50,=,0.028,uM,Cc1coc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5S(=O)(=O)C,
,,,F6P:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6IBX,,,,,,,
,,,POP:A:502,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,H9Z:A:501,valid,ic50,=,2,nM,Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5cnccc5C(=O)N[C@H]6CCCN(C6)C,
,,,FLC:A:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,F6P:A:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,6IBZ,,,,,,,
,,,HAW:A:503,valid,ic50,=,22,nM,Cn1ccc2c1cc(cc2)c3cc(cc4c3nccn4)Nc5ccccc5S(=O)(=O)NCc6cncnc6,
,,,F6P:A:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,FLC:A:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5HR5,,,,,,,
,,,DIO:A:601,invalid,,,,,C1COCCO1,
,,,F6P:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,ADP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FLC:A:603,valid,Ki,=,80,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5HTK,,,,,,,
,,,FLC:B:601,valid,Kd,=,80,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:601,valid,Kd,=,80,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,MES:B:608,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,F6P:A:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
2.7.1.148,,,,,,,,,
,Family. Representative Entry is ,1OJ4,,,,,,,
,,,ANP:A:1285,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1285,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CDM:A:1284,valid,,,,,C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,
,,,CDM:B:1284,valid,,,,,C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,
,,,CL:A:1286,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2V2V,,,,,,,
,,,BR:A:1272,invalid,,,,,[Br-],
,,,BR:A:1273,invalid,,,,,[Br-],
,,,BR:A:1274,invalid,,,,,[Br-],
,,,BR:A:1275,invalid,,,,,[Br-],
,,,BR:A:1276,invalid,,,,,[Br-],
,,,BR:B:1274,invalid,,,,,[Br-],
,,,BR:B:1275,invalid,,,,,[Br-],
,,,BR:B:1276,invalid,,,,,[Br-],
,,,GOL:A:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1273,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V12:A:1277,valid,Ki,=,85.8,uM,c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O,
,,,V12:B:1277,valid,Ki,=,85.8,uM,c1ccc2c(c1)[nH]c(n2)CC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O,
,,2V8P,,,,,,,
,,,ADP:A:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CDP:A:1269,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1269,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:A:1273,invalid,,,,,[Cl-],
,,,CL:B:1273,invalid,,,,,[Cl-],
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VF3,,,,,,,
,,,BR:A:1274,invalid,,,,,[Br-],
,,,BR:B:1274,invalid,,,,,[Br-],
,,,CL:A:1271,invalid,,,,,[Cl-],
,,,CL:A:1272,invalid,,,,,[Cl-],
,,,CL:A:1273,invalid,,,,,[Cl-],
,,,CL:B:1271,invalid,,,,,[Cl-],
,,,CL:B:1272,invalid,,,,,[Cl-],
,,,CL:B:1273,invalid,,,,,[Cl-],
,,,GVS:A:1269,valid,,,,,CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3,
,,,GVS:B:1269,valid,,,,,CCOC(=O)CC1(COC1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3,
,,,POP:A:1270,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:1270,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,2V34,,,,,,,
,,,CL:A:1270,invalid,,,,,[Cl-],
,,,CL:B:1271,invalid,,,,,[Cl-],
,,,CTN:A:1269,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:B:1269,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,SG3:B:1270,valid,,,,,C[C@](CO)([C@@H](C=CP(=O)(O)O)O)F,
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2V2Z,,,,,,,
,,,ADP:A:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CDM:A:1269,valid,,,,,C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,
,,,CDM:B:1269,valid,,,,,C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,
,,,CL:A:1273,invalid,,,,,[Cl-],
,,,CL:B:1272,invalid,,,,,[Cl-],
,,,CL:B:1273,invalid,,,,,[Cl-],
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2V2Q,,,,,,,
,,,BR:A:1269,invalid,,,,,[Br-],
,,,BR:A:1270,invalid,,,,,[Br-],
,,,BR:A:1271,invalid,,,,,[Br-],
,,,BR:A:1272,invalid,,,,,[Br-],
,,,BR:B:1269,invalid,,,,,[Br-],
,,,BR:B:1270,invalid,,,,,[Br-],
,,,BR:B:1271,invalid,,,,,[Br-],
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1272,invalid,,,,,C(C(CO)O)O,
,,,NVG:A:1274,valid,Ki,=,71.2,uM,c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O,
,,,NVG:B:1273,valid,Ki,=,71.2,uM,c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O,
,,,SO4:A:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WW4,,,,,,,
,,,ADP:A:1284,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:1284,invalid,,,,,C(C(CO)O)O,
1.4.3.14,,,,,,,,,
,Family. Representative Entry is ,7C3H,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:605,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:605,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,LYS:A:602,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:602,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,3X0V,,,,,,,
,,,EPE:B:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,7C3I,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:604,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:604,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,7C3L,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TYR:B:602,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:602,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7C3J,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PHE:B:602,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:602,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
2.1.1.85,,,,,,,,,
,Family. Representative Entry is ,6OX3,,,,,,,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:Y:101,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:614,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:628,invalid,,,,,CC(=O)[O-],
,,6OX5,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6WK2,,,,,,,
,,,NA:D:603,invalid,,,,,[Na+],
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,SAM:A:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6WK1,,,,,,,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:1018,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:631,invalid,,,,,C(CO)O,
,,,EDO:B:1019,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:Y:102,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:1013,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:628,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:A:629,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1015,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:630,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:B:1017,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1014,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:B:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:1020,invalid,,,,,C(CO)O,
,,,GOL:A:633,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:Y:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:632,invalid,,,,,C(C(CO)O)O,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ACT:A:624,invalid,,,,,CC(=O)[O-],
,,6V63,,,,,,,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:1013,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:Z:101,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1015,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:1014,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:B:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:Y:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:621,invalid,,,,,CC(=O)[O-],
,,6V62,,,,,,,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6OX0,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,SFG:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,6OX2,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,6OX4,,,,,,,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:Y:101,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:621,invalid,,,,,CC(=O)[O-],
,,,ACT:A:622,invalid,,,,,CC(=O)[O-],
,,6OX1,,,,,,,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
1.2.1.27,,,,,,,,,
,Family. Representative Entry is ,1T90,,,,,,,
,,,NAD:A:1490,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2490,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3490,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4490,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.4.25.-,,,,,,,,,
,Family. Representative Entry is ,1OFH,,,,,,,
,,,ADP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:451,Part of Protein,,,,,[Mg+2],
,,,MG:A:453,Part of Protein,,,,,[Mg+2],
,,,MG:B:451,Part of Protein,,,,,[Mg+2],
,,,MG:B:453,Part of Protein,,,,,[Mg+2],
,,,MG:C:451,Part of Protein,,,,,[Mg+2],
,,,MG:C:453,Part of Protein,,,,,[Mg+2],
,,,MG:G:454,Part of Protein,,,,,[Mg+2],
,,,MG:H:454,Part of Protein,,,,,[Mg+2],
,,,MG:I:454,Part of Protein,,,,,[Mg+2],
,,,MG:L:454,Part of Protein,,,,,[Mg+2],
,,,MG:M:454,Part of Protein,,,,,[Mg+2],
,,,MG:N:454,Part of Protein,,,,,[Mg+2],
,,,PO4:A:452,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:452,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:452,invalid,,,,,[O-]P(=O)([O-])[O-],
2.7.4.4,,,,,,,,,
,Family. Representative Entry is ,2BNF,,,,,,,
,,,GOL:A:1243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1246,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1243,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1244,invalid,,,,,C(C(CO)O)O,
,,,UTP:A:1242,valid,ic50,=,65,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:1242,valid,ic50,=,65,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2BNE,,,,,,,
,,,GOL:A:1243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1246,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1243,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1244,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1245,invalid,,,,,C(C(CO)O)O,
,,,U5P:A:1242,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:1242,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
1.8.2.1,,,,,,,,,
,Family. Representative Entry is ,2XTS,,,,,,,
,,,9312_:A:501,Part of Protein,,,,,,
,,,9313_9314_:A:501,invalid,,,,,,
,,,9415_:C:501,Part of Protein,,,,,,
,,,9416_9417_:C:501,invalid,,,,,,
,,,CA:B:1228,Part of Protein,,,,,[Ca+2],
,,,CA:B:1229,Part of Protein,,,,,[Ca+2],
,,,CA:D:1229,Part of Protein,,,,,[Ca+2],
,,,CA:D:1230,Part of Protein,,,,,[Ca+2],
,,,CA:D:1231,Part of Protein,,,,,[Ca+2],
,,,CA:D:1232,Part of Protein,,,,,[Ca+2],
,,,CO:A:1431,Part of Protein,,,,,[Co+2],
,,,CO:C:1431,Part of Protein,,,,,[Co+2],
,,,GOL:A:1432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1434,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1230,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1231,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1432,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1233,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1234,invalid,,,,,C(C(CO)O)O,
,,,HEC:B:500,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:D:500,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MTE:A:500,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:C:500,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
1.13.12.5,,,,,,,,,
,Family. Representative Entry is ,3KPX,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,Family. Representative Entry is ,2PSJ,,,,,,,
,,,CEI:A:501,valid,Ki,~,20,nM,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,,,CEI:B:502,valid,Ki,~,20,nM,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,Family. Representative Entry is ,1QV1,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CO:A:401,invalid,,,,,[Co+2],
,,,CO:A:402,invalid,,,,,[Co+2],
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,K:A:404,Part of Protein,,,,,[K+],
,,1JF2,,,,,,,
,,,CZH:A:196,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,,4N1F,,,,,,,
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,,1EL4,,,,,,,
,,,CL:A:196,invalid,,,,,[Cl-],
,,,CTZ:A:197,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O,
,,2F8P,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CEI:A:1526,valid,,,,,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,,1QV0,,,,,,,
,,,CO:A:401,invalid,,,,,[Co+2],
,,,CO:A:402,invalid,,,,,[Co+2],
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,K:A:403,Part of Protein,,,,,[K+],
,,4N1G,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CEI:A:201,valid,,,,,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,,,CEI:B:201,valid,,,,,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,,1S36,,,,,,,
,,,CEI:A:201,valid,,,,,c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,1SL9,,,,,,,
,,,CZH:A:201,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
5.4.2.1,,,,,,,,,
,Family. Representative Entry is ,1O98,,,,,,,
,,,2PG:A:801,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EJJ,,,,,,,
,,,3PG:A:601,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,,1EQJ,,,,,,,
,,,2PG:A:801,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3IGZ,,,,,,,
,,,2PG:B:565,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,3PG:B:564,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,CO:B:562,Part of Protein,,,,,[Co+2],
,,,CO:B:563,Part of Protein,,,,,[Co+2],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,3IGY,,,,,,,
,,,2PG:B:565,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,3PG:B:564,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,CO:B:562,Part of Protein,,,,,[Co+2],
,,,CO:B:563,Part of Protein,,,,,[Co+2],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3GP3,,,,,,,
,,,PG4:A:250,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:250,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:250,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:251,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:250,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:251,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO3:A:251,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:B:251,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:C:252,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:D:252,invalid,,,,,[O-][P-](=O)[O-],
,,,SEP:A:252,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:B:252,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:C:253,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:D:253,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,3LNT,,,,,,,
,,,EDO:A:251,invalid,,,,,C(CO)O,
,,,EDO:B:250,invalid,,,,,C(CO)O,
,,,EDO:B:251,invalid,,,,,C(CO)O,
,,,MLI:A:990,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:990,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:250,invalid,,,,,[Na+],
,Family. Representative Entry is ,1BQ4,,,,,,,
,,,BHC:A:302,valid,Ki,=,6,uM,c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QHF,,,,,,,
,,,3PG:A:252,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:253,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FDZ,,,,,,,
,,,3PG:B:1001,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,DG2:A:1001,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,,,PEG:B:1002,invalid,,,,,C(COCCO)O,
1.14.11.37,,,,,,,,,
,Family. Representative Entry is ,6S0S,,,,,,,
,,,CL:E:304,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,AKG:E:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,RIO:E:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:C:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:F:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:A:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:D:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:B:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,NI:F:301,Part of Protein,,,,,[Ni+2],
,,,NI:C:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,NI:E:301,Part of Protein,,,,,[Ni+2],
,,6S0W,,,,,,,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,NI:F:302,Part of Protein,,,,,[Ni+2],
,,,NI:C:302,Part of Protein,,,,,[Ni+2],
,,,NI:D:302,Part of Protein,,,,,[Ni+2],
,,,NI:E:302,Part of Protein,,,,,[Ni+2],
,,,NI:B:302,Part of Protein,,,,,[Ni+2],
,,,9CS:F:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,9CS:B:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,9CS:C:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,9CS:E:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,9CS:A:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,9CS:D:301,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:D:306,invalid,,,,,C(COCCO)O,
,,6S0U,,,,,,,
,,,NA:E:304,Part of Protein,,,,,[Na+],
,,,AKG:D:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,NI:C:302,Part of Protein,,,,,[Ni+2],
,,,NI:D:302,Part of Protein,,,,,[Ni+2],
,,,NI:F:302,Part of Protein,,,,,[Ni+2],
,,,NI:E:302,Part of Protein,,,,,[Ni+2],
,,,NI:B:302,Part of Protein,,,,,[Ni+2],
,,,PEG:F:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
4.2.1.40,,,,,,,,,
,Family. Representative Entry is ,1EC9,,,,,,,
,,,IPA:A:601,invalid,,,,,CC(C)O,
,,,IPA:A:603,invalid,,,,,CC(C)O,
,,,IPA:B:604,invalid,,,,,CC(C)O,
,,,IPA:D:602,invalid,,,,,CC(C)O,
,,,MG:A:498,Part of Protein,,,,,[Mg+2],
,,,MG:B:498,Part of Protein,,,,,[Mg+2],
,,,MG:C:498,Part of Protein,,,,,[Mg+2],
,,,MG:D:498,Part of Protein,,,,,[Mg+2],
,,,XYH:A:499,valid,Ki,=,0.8,mM,[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O,
,,,XYH:B:500,valid,Ki,=,0.8,mM,[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O,
,,,XYH:C:501,valid,Ki,=,0.8,mM,[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O,
,,,XYH:D:502,valid,Ki,=,0.8,mM,[C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O,
,,1JDF,,,,,,,
,,,GLR:A:2510,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:B:2511,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:C:2512,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:D:2513,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,IPA:A:3603,invalid,,,,,CC(C)O,
,,,IPA:A:3605,invalid,,,,,CC(C)O,
,,,IPA:B:3604,invalid,,,,,CC(C)O,
,,,IPA:B:3606,invalid,,,,,CC(C)O,
,,,IPA:C:3601,invalid,,,,,CC(C)O,
,,,IPA:C:3607,invalid,,,,,CC(C)O,
,,,IPA:D:3602,invalid,,,,,CC(C)O,
,,,IPA:D:3608,invalid,,,,,CC(C)O,
,,,MG:A:4500,Part of Protein,,,,,[Mg+2],
,,,MG:B:4501,Part of Protein,,,,,[Mg+2],
,,,MG:C:4502,Part of Protein,,,,,[Mg+2],
,,,MG:D:4503,Part of Protein,,,,,[Mg+2],
,,1EC8,,,,,,,
,,,GLR:A:499,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:B:500,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:C:501,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,GLR:D:502,valid,,,,,C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-],
,,,IPA:A:601,invalid,,,,,CC(C)O,
,,,IPA:A:603,invalid,,,,,CC(C)O,
,,,IPA:D:602,invalid,,,,,CC(C)O,
,,,IPA:D:604,invalid,,,,,CC(C)O,
,,,MG:A:498,Part of Protein,,,,,[Mg+2],
,,,MG:B:498,Part of Protein,,,,,[Mg+2],
,,,MG:C:498,Part of Protein,,,,,[Mg+2],
,,,MG:D:498,Part of Protein,,,,,[Mg+2],
,,1ECQ,,,,,,,
,,,DXG:A:499,valid,Ki,=,1,mM,C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O,
,,,DXG:B:500,valid,Ki,=,1,mM,C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O,
,,,DXG:C:501,valid,Ki,=,1,mM,C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O,
,,,DXG:D:502,valid,Ki,=,1,mM,C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O,
,,,IPA:A:602,invalid,,,,,CC(C)O,
,,,IPA:B:603,invalid,,,,,CC(C)O,
,,,IPA:C:604,invalid,,,,,CC(C)O,
,,,IPA:D:601,invalid,,,,,CC(C)O,
,,,MG:A:498,Part of Protein,,,,,[Mg+2],
,,,MG:B:498,Part of Protein,,,,,[Mg+2],
,,,MG:C:498,Part of Protein,,,,,[Mg+2],
,,,MG:D:498,Part of Protein,,,,,[Mg+2],
1.2.1.8,,,,,,,,,
,Family. Representative Entry is ,1WNB,,,,,,,
,,,BTL:B:5001,valid,,,,,C[N+](C)(C)CC=O,
,,,NAI:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:4001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,4A0M,,,,,,,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1502,invalid,,,,,C(C(CO)O)O,
,,,K:A:1497,Part of Protein,,,,,[K+],
,,,K:A:1501,Part of Protein,,,,,[K+],
,,,K:B:1497,Part of Protein,,,,,[K+],
,,,K:B:1499,Part of Protein,,,,,[K+],
,,,K:C:1497,Part of Protein,,,,,[K+],
,,,K:C:1500,Part of Protein,,,,,[K+],
,,,K:C:1501,Part of Protein,,,,,[K+],
,,,K:D:1497,Part of Protein,,,,,[K+],
,,,NAD:A:1498,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1498,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1498,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1498,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2WME,,,,,,,
,,,BME:A:1492,invalid,,,,,C(CS)O,
,,,BME:B:1492,invalid,,,,,C(CS)O,
,,,BME:D:1492,invalid,,,,,C(CS)O,
,,,BME:F:1492,invalid,,,,,C(CS)O,
,,,BME:G:1492,invalid,,,,,C(CS)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1495,invalid,,,,,C(C(CO)O)O,
,,,K:A:1493,Part of Protein,,,,,[K+],
,,,K:A:1494,Part of Protein,,,,,[K+],
,,,K:B:1493,Part of Protein,,,,,[K+],
,,,K:B:1494,Part of Protein,,,,,[K+],
,,,K:C:1493,Part of Protein,,,,,[K+],
,,,K:C:1494,Part of Protein,,,,,[K+],
,,,K:D:1493,Part of Protein,,,,,[K+],
,,,K:D:1494,Part of Protein,,,,,[K+],
,,,K:E:1493,Part of Protein,,,,,[K+],
,,,K:E:1494,Part of Protein,,,,,[K+],
,,,K:F:1493,Part of Protein,,,,,[K+],
,,,K:F:1494,Part of Protein,,,,,[K+],
,,,K:G:1493,Part of Protein,,,,,[K+],
,,,K:G:1494,Part of Protein,,,,,[K+],
,,,K:H:1493,Part of Protein,,,,,[K+],
,,,K:H:1494,Part of Protein,,,,,[K+],
,,,NAP:A:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1491,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2WOX,,,,,,,
,,,7PE:A:1495,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:1496,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:B:1499,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:B:1500,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:C:1501,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,BME:A:1600,invalid,,,,,C(CS)O,
,,,BME:C:1600,invalid,,,,,C(CS)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1490,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1497,invalid,,,,,C(C(CO)O)O,
,,,K:A:1492,Part of Protein,,,,,[K+],
,,,K:A:1493,Part of Protein,,,,,[K+],
,,,K:B:1493,Part of Protein,,,,,[K+],
,,,K:B:1501,Part of Protein,,,,,[K+],
,,,K:C:1492,Part of Protein,,,,,[K+],
,,,K:C:1493,Part of Protein,,,,,[K+],
,,,K:D:1492,Part of Protein,,,,,[K+],
,,,K:D:1493,Part of Protein,,,,,[K+],
,,,NDP:A:1491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3ZQA,,,,,,,
,,,EDO:C:1497,invalid,,,,,C(CO)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1495,invalid,,,,,C(C(CO)O)O,
,,,NDP:D:1496,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1498,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1495,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,K:A:1501,Part of Protein,,,,,[K+],
,,,K:A:1502,Part of Protein,,,,,[K+],
,,,K:B:1499,Part of Protein,,,,,[K+],
,,,K:B:1500,Part of Protein,,,,,[K+],
,,,K:C:1498,Part of Protein,,,,,[K+],
,,,K:C:1499,Part of Protein,,,,,[K+],
,,,K:D:1497,Part of Protein,,,,,[K+],
,,,K:D:1498,Part of Protein,,,,,[K+],
,,,PG4 EDO:A:1495,invalid,,,,,,
,,,TOE:C:1496,Part of Protein,,,,,COCCOCCOCCO,
1.5.1.-,,,,,,,,,
,Family. Representative Entry is ,2CWH,,,,,,,
,,,NDP:A:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PYC:A:2520,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,,PYC:B:1520,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,2CWF,,,,,,,
,,,NDP:A:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
2.1.1.14,,,,,,,,,
,Family. Representative Entry is ,1U1J,,,,,,,
,,,C2F:A:773,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MET:A:772,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SO4:A:768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:770,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:771,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:766,Part of Protein,,,,,[Zn+2],
,,,ZN:A:767,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4L6H,,,,,,,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,MTX:A:803,valid,ic50,=,4,mM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,HCS:A:802,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,4L61,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,MET:A:801,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4L64,,,,,,,
,,,C2F:A:802,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,4L5Z,,,,,,,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,HCS:A:802,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,4L6O,,,,,,,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GLN:A:802,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,4L65,,,,,,,
,,,C2F:A:802,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,MET:A:803,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3BQ5,,,,,,,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,HCS:A:802,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:803,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,1XDJ,,,,,,,
,,,HCS:A:1049,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:A:1050,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,MRY:A:1053,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:B:1054,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,SO4:A:1048,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1047,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1051,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1052,Part of Protein,,,,,[Zn+2],
,,1XR2,,,,,,,
,,,C2F:A:1200,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:1201,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MRY:A:1205,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:B:1204,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
1.3.3.11,,,,,,,,,
,Family. Representative Entry is ,3HLX,,,,,,,
,,,CL:A:261,invalid,,,,,[Cl-],
,,,CL:D:261,invalid,,,,,[Cl-],
,,,GOL:A:259,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:259,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:260,invalid,,,,,C(C(CO)O)O,
,,,PQQ:A:500,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:D:500,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,3HNH,,,,,,,
,,,AHQ:A:259,valid,,,,,C1c2c(c3c(c(c2O)O)N[C@H](C[C@H]3C(=O)O)C(=O)O)N[C@@H]1C(=O)O,
,,3HML,,,,,,,
,,,PQQ:A:259,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:259,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,1OTW,,,,,,,
,,,PEO:A:600,invalid,,,,,OO,
,,,PEO:B:601,invalid,,,,,OO,
,,,PQQ:A:500,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,PQQ:B:501,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
2.4.99.4,,,,,,,,,
,Family. Representative Entry is ,2IHK,,,,,,,
,,,CSF:A:1741,valid,Ki,=,10.2,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,2EX1,,,,,,,
,,,C5P:A:1427,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3S44,,,,,,,
,,,FN5:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,2C84,,,,,,,
,,,C:A:1414,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2ILV,,,,,,,
,,,C5P:A:1427,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GLC GAL:B:1,valid,,,,,,
,,2IY8,,,,,,,
,,,CSF:A:1415,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,2IHJ,,,,,,,
,,,CSF:A:1741,valid,Ki,=,25.7,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,2IHZ,,,,,,,
,,,CSF:A:1741,valid,Ki,=,27.5,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,GLC GAL:B:1,valid,,,,,,
,,2IY7,,,,,,,
,,,CSF:A:1414,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,Family. Representative Entry is ,2ZWI,,,,,,,
,,,C5P:A:1,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:B:412,invalid,,,,,[Cl-],
,,,CL:B:413,invalid,,,,,[Cl-],
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2WNF,,,,,,,
,,,A2G CG3 GAL:B:1,valid,,,,,,
,,2WNB,,,,,,,
,,,C5P:A:1344,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,A2G CG3 GAL:B:1,valid,,,,,,
1.5.3.5,,,,,,,,,
,Family. Representative Entry is ,3K7M,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,3NH3,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,HNL:X:433,valid,,,,,C[N@@]1CCC[C@H]1c2ccc(nc2)O,
,,,HNM:X:436,valid,,,,,CNCCCC(=O)c1ccc(nc1)O,
,,3NGC,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,HNH:X:436,valid,,,,,CN1CCC=C1c2ccc(nc2)O,
,,,HNL:X:433,valid,,,,,C[N@@]1CCC[C@H]1c2ccc(nc2)O,
,,3NK1,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,SRO:X:433,valid,,,,,c1cc2c(cc1O)c(c[nH]2)CCN,
,,3K7Q,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,HNL:X:433,valid,,,,,C[N@@]1CCC[C@H]1c2ccc(nc2)O,
,,3NN6,,,,,,,
,,,FB0:X:434,valid,,,,,C[C@H](CCN)[C@@H](C)CCN(C[C@@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,HNK:X:433,valid,,,,,C[N@]1CCC[C@@H]1c2ccc(nc2)O,
,,3NK0,,,,,,,
,,,FAD:X:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GP7:X:435,invalid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCC=CC/C=C/CCC,
,,,HNK:X:433,valid,,,,,C[N@]1CCC[C@@H]1c2ccc(nc2)O,
,,,HNM:X:436,valid,,,,,CNCCCC(=O)c1ccc(nc1)O,
2.7.7.85,,,,,,,,,
,Family. Representative Entry is ,4YVZ,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,3AT:B:401,valid,ic50,=,3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3AT:A:403,valid,ic50,=,3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,3C1Y,,,,,,,
,,,2BA:A:358,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,4YXM,,,,,,,
,,,2BA:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,MPD:B:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3C23,,,,,,,
,,,3AT:A:611,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3AT:B:612,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
1.14.20.3,,,,,,,,,
,Family. Representative Entry is ,4OJ8,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,2TQ:C:303,valid,,,,,C1C[C@H](N2[C@@H]1CC2=O)C(=O)O,
,,,2TQ:B:304,valid,,,,,C1C[C@H](N2[C@@H]1CC2=O)C(=O)O,
,,1NX8,,,,,,,
,,,AKG:A:280,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:281,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:282,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:B:300,Part of Protein,,,,,[Fe+3],
,,,FE:C:300,Part of Protein,,,,,[Fe+3],
,,,N7P:B:290,valid,,,,,CC(=O)N1CCC[C@H]1C(=O)O,
,,,N7P:C:291,valid,,,,,CC(=O)N1CCC[C@H]1C(=O)O,
3.5.99.2,,,,,,,,,
,Family. Representative Entry is ,2QCX,,,,,,,
,,,PF1:A:300,valid,,,,,Cc1ncc(c(n1)N)CN(CCO)C=O,
,,,PF1:B:300,valid,,,,,Cc1ncc(c(n1)N)CN(CCO)C=O,
,,1YAK,,,,,,,
,,,HMH:A:301,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:B:303,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:C:304,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:D:302,valid,,,,,Cc1ncc(c(n1)N)CO,
,Family. Representative Entry is ,1TO9,,,,,,,
,,,HMH:A:301,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:B:302,valid,,,,,Cc1ncc(c(n1)N)CO,
2.7.4.-,,,,,,,,,
,Family. Representative Entry is ,1UKZ,,,,,,,
,,,ADP:A:205,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:A:206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1UKY,,,,,,,
,,,ADP:A:205,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.1.1.130,,,,,,,,,
,Family. Representative Entry is ,2E0N,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.2.1.114,,,,,,,,,
,Family. Representative Entry is ,3EJR,,,,,,,
,,,HN4:A:1049,valid,Ki,=,2.7,nM,CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,2OW7,,,,,,,
,,,MRD:A:2001,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:3001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NK2:A:6001,valid,ic50,=,14,uM,C1CC[S@@+]2C[C@H]([C@H]([C@@H]2C1)O)O,
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:5001,Part of Protein,,,,,[Zn+2],
,,3D51,,,,,,,
,,,GOX:A:1048,valid,Ki,=,70,uM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,MRD:A:1047,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:1046,Part of Protein,,,,,[Zn+2],
,,3CV5,,,,,,,
,,,MPD:A:1049,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,,BMA MAN MAN MAN MAN:B:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,3EJS,,,,,,,
,,,HN5:A:1049,valid,ic50,=,250,nM,CC(C)(C)c1ccc(cc1)CC[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3DX0,,,,,,,
,,,MPD:A:1050,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MSN:A:1049,valid,Ki,=,36,nM,CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1048,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,2FYV,,,,,,,
,,,MPD:A:2001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1047,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,W72:A:2000,valid,ic50,=,0.3,mM,C1[C@H]([C@@H]([C@H]([N@@]1C[C@@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)CO)O)O,
,,,ZN:A:2003,Part of Protein,,,,,[Zn+2],
,,3BVW,,,,,,,
,,,MPD:A:1102,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,YZ0 MAN Z4Y NAG MAN:B:1,valid,,,,,S(CC1C(O)C(O)C(O)C(OCC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(OC)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3D4Z,,,,,,,
,,,GIM:A:1048,valid,Ki,=,13,uM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MRD:A:1047,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:1046,Part of Protein,,,,,[Zn+2],
,,1TQU,,,,,,,
,,,GHA:A:1300,valid,ic50,~,7.5,mM,C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS([O-])([O-])[O-])O)CO)O)O,
,,,MRD:A:1200,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:1400,Part of Protein,,,,,[Zn+2],
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3DDG,,,,,,,
,,,GB7:A:5001,valid,Ki,=,1,uM,CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2,
,,,MRD:A:4001,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,1PS3,,,,,,,
,,,KIF:A:1501,valid,Ki,=,5.2,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,MRD:A:1602,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1601,Part of Protein,,,,,[Zn+2],
,,3DX2,,,,,,,
,,,MPD:A:1049,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1050,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1047,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MZB:A:1048,valid,Ki,=,150,nM,C[S@@](=O)[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N,
,,,ZN:A:1046,Part of Protein,,,,,[Zn+2],
,,2F7O,,,,,,,
,,,MPD:A:5003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MSN:A:5002,valid,Ki,=,0.036,uM,CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N,
,,,NAG:A:5004,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:5005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:5001,Part of Protein,,,,,[Zn+2],
,,3D52,,,,,,,
,,,GHR:A:1048,valid,Ki,=,520,uM,c1cc(ccc1NC(=O)O/N=C2/[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O)Cl,
,,,MRD:A:1047,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:1046,Part of Protein,,,,,[Zn+2],
,,1TQV,,,,,,,
,,,MRD:A:1100,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,SSE:A:1200,valid,ic50,~,7.5,mM,C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3EJU,,,,,,,
,,,HN7:A:1049,valid,ic50,=,250,nM,CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,1HXK,,,,,,,
,,,DMJ:A:1103,valid,ic50,=,400,uM,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,MRD:A:1104,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,1TQS,,,,,,,
,,,MRD:A:1301,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SSO:A:1201,valid,,,,,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H](C(CO)OS([O-])([O-])[O-])O)CO)O)O,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,3CZN,,,,,,,
,,,NAG:A:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,NDG BMA MAN MAN NAG MAN MAN:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C1O)C,
,,2OW6,,,,,,,
,,,MRD:A:5001,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NK1:A:4001,valid,ic50,=,2,mM,C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O,
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,3BUP,,,,,,,
,,,MAN:A:1047,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MPD:A:1049,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1048,Part of Protein,,,,,[Zn+2],
,,3EJT,,,,,,,
,,,DMS:A:1049,invalid,,,,,CS(=O)C,
,,,HN6:A:1050,valid,ic50,=,44,nM,CC(C)(C)c1ccc(cc1)CC[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3CZS,,,,,,,
,,,MAN:A:4499,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MPD:A:1104,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,3DX1,,,,,,,
,,,MRD:A:1049,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1047,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YHO:A:1050,valid,Ki,=,265,uM,C1[C@H]([C@H]([C@H]([C@H]1O)O)O)N,
,,,ZN:A:1048,Part of Protein,,,,,[Zn+2],
,,2F7P,,,,,,,
,,,2SK:A:5009,valid,Ki,=,0.249,uM,CS[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)NCc2ccccc2,
,,,MPD:A:5003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:5002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:5001,Part of Protein,,,,,[Zn+2],
,,3EJP,,,,,,,
,,,HN2:A:1049,valid,Ki,=,2.8,nM,c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3BVV,,,,,,,
,,,MPD:A:1105,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1104,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1103,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:A:1101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,YZ0 MAN Z4Y:B:1,valid,,,,,,
,,2F18,,,,,,,
,,,GB1:A:1804,valid,ic50,=,80,uM,c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O,
,,,MPD:A:1801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1805,Part of Protein,,,,,[Zn+2],
,,3DX4,,,,,,,
,,,GOO:A:1049,valid,Ki,=,76,nM,CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)N,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,2F1A,,,,,,,
,,,GB2:A:1804,valid,ic50,=,720,uM,c1ccc(cc1)[C@@H](CO)NC[C@@H]2[C@H]([C@H](CN2)O)O,
,,,MPD:A:1801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1805,Part of Protein,,,,,[Zn+2],
,,3D4Y,,,,,,,
,,,MPD:A:1050,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1051,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MVL:A:1049,valid,Ki,=,2,uM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3DDF,,,,,,,
,,,GB6:A:4001,valid,Ki,=,67,uM,c1ccc(cc1)[C@H](CO)NC[C@@H]2[C@H]([C@H](C(=O)N2)O)O,
,,,MPD:A:5002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:5001,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,1TQT,,,,,,,
,,,MRD:A:1101,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SSD:A:1201,valid,ic50,~,7.5,mM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,3DX3,,,,,,,
,,,MRD:A:1049,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1048,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YTB:A:1050,valid,Ki,=,300,nM,C1([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)N,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3BUQ,,,,,,,
,,,MAN:A:1047,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MPD:A:1049,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1048,Part of Protein,,,,,[Zn+2],
,,1R34,,,,,,,
,,,LKS:A:1102,valid,ic50,=,0.9,mM,[H]/N=C(/Cc1ccccc1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](S2)CO)O)O)O,
,,,MPD:A:1067,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1066,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,3BVX,,,,,,,
,,,MPD:A:1048,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:1046,Part of Protein,,,,,[Zn+2],
,,,YZ0 MAN MAN NAG MAN:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC)OC(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C1O)C,
,,1HWW,,,,,,,
,,,MRD:A:1104,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SWA:A:1103,valid,ic50,=,20,nM,C1C[C@H]([C@@H]2[C@@H]([C@@H](C[N@]2C1)O)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,3EJQ,,,,,,,
,,,HN3:A:1049,valid,Ki,=,2.7,nM,Cc1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O,
,,,MRD:A:1048,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,3D50,,,,,,,
,,,MPD:A:1049,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OEV:A:1048,valid,Ki,=,17,uM,CCCCCCCCN[C@@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO,
,,,ZN:A:1047,Part of Protein,,,,,[Zn+2],
,,2F1B,,,,,,,
,,,GB3:A:1803,valid,ic50,=,1000,uM,C[C@@H]1[C@@H]([C@@H]([C@H](N1)CN[C@@H](CO)c2ccccc2)O)O,
,,,MPD:A:1801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1804,Part of Protein,,,,,[Zn+2],
,,1R33,,,,,,,
,,,LKA:A:1162,valid,ic50,=,0.07,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](S1)N)O)O)O)O,
,,,MPD:A:1161,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1163,Part of Protein,,,,,[Zn+2],
,,1TQW,,,,,,,
,,,BLT:A:1300,valid,ic50,~,7.5,mM,C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O,
,,,MRD:A:1100,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1200,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1400,Part of Protein,,,,,[Zn+2],
,,3BVT,,,,,,,
,,,MPD:A:1051,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1052,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1049,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1047,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1048,Part of Protein,,,,,[Zn+2],
,,,Z4R MAN:B:1,valid,,,,,S(C1C(O)C(OC)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,3BVU,,,,,,,
,,,MRD:A:1049,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG:A:1046,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1047,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1048,Part of Protein,,,,,[Zn+2],
,,,Z4R MAN MAN:B:1,valid,,,,,S(C1C(O)C(OC)OC(COC2C(O)C(O)C(O)C(CO)O2)C1O)C1C(O)C(O)C(O)C(C=O)O1,
1.12.98.2,,,,,,,,,
,Family. Representative Entry is ,6HUY,,,,,,,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:B:402,invalid,,,,,CS(=O)C,
,,,DMS:D:403,invalid,,,,,CS(=O)C,
,,,DMS:C:402,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:D:402,invalid,,,,,CS(=O)C,
,,,DMS:C:403,invalid,,,,,CS(=O)C,
,,,DMS:B:401,invalid,,,,,CS(=O)C,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,GUE:B:406,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N,
,,,GUE:C:404,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N,
,,,GUE:A:403,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N,
,,,GUE:D:405,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N+]3=C2)C(=O)N=C(N4)N,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,FE9:C:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,FE9:A:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3DAG,,,,,,,
,,,CMO:A:502,invalid,,,,,[C-]#[O+],
,,,CMO:A:504,invalid,,,,,[C-]#[O+],
,,,FE2:A:503,Part of Protein,,,,,[Fe+2],
,,,FEG:A:501,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,3DAF,,,,,,,
,,,CMO:A:502,invalid,,,,,[C-]#[O+],
,,,CMO:A:504,invalid,,,,,[C-]#[O+],
,,,CYN:A:401,invalid,,,,,[C-]#N,
,,,FE2:A:503,Part of Protein,,,,,[Fe+2],
,,,FEG:A:501,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,,PO4:A:2022,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3F46,,,,,,,
,,,DTV:A:363,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,I2C FE2 CMO CMO:A:359,valid,,,,,P(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1=C(C)C(=O)N2[Fe-2](C#[O+])(C#[O+])C(=O)CC2=C1C)[O-],
,,3H65,,,,,,,
,,,DTV:A:363,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,H4M:A:364,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,I2C FE2 CMO CMO:A:359,valid,,,,,P(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1=C(C)C(=O)N2[Fe-2](C#[O+])(C#[O+])C(=O)CC2=C1C)[O-],
,Family. Representative Entry is ,4JJF,,,,,,,
,,,FE9:A:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,FE9:B:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,FE9:B:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,N2I:A:402,valid,Ki,=,10,nM,C=Nc1ccc2ccccc2c1,
,,,N2I:B:402,valid,Ki,=,10,nM,C=Nc1ccc2ccccc2c1,
,,4JJG,,,,,,,
,,,FE9:A:401,valid,,,,,CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S,
,,,IC9:A:402,valid,Ki,=,2,nM,Cc1ccc(cc1)CS(=O)(=O)CNC,
,,5OK4,,,,,,,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,FEG:A:404,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
1.14.11.16,,,,,,,,,
,Family. Representative Entry is ,3P3N,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:350,Part of Protein,,,,,[Fe+2],
,,,GOL:A:2000,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1H2M,,,,,,,
,,,OGA:A:1351,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1350,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4B7E,,,,,,,
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1H2K,,,,,,,
,,,FE2:A:1350,Part of Protein,,,,,[Fe+2],
,,,OGA:A:1351,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H2L,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1350,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ILM,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BCT:A:3000,invalid,,,,,C(=O)(O)[O-],
,,,FE2:A:350,Part of Protein,,,,,[Fe+2],
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6RK9,,,,,,,
,,,OGA:B:802,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:802,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:B:801,Part of Protein,,,,,[Mn+2],
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2Y0I,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1350,Part of Protein,,,,,[Fe+2],
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1356,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2XUM,,,,,,,
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4B7K,,,,,,,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
1.5.1.33,,,,,,,,,
,Family. Representative Entry is ,2VZ0,,,,,,,
,,,D64:A:500,valid,Ki,=,9.8,nM,Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N,
,,,D64:B:500,valid,Ki,=,9.8,nM,Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N,
,,,D64:C:500,valid,Ki,=,9.8,nM,Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N,
,,,D64:D:500,valid,Ki,=,9.8,nM,Cc1ccc(cc1)c2ccc3c(c2)c(nc(n3)N)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CLX,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,Q0K:C:1270,valid,Ki,=,1.2,uM,Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N,
,,,Q0K:A:1270,valid,Ki,=,1.2,uM,Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N,
,,,Q0K:B:1270,valid,Ki,=,1.2,uM,Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N,
,,,Q0K:D:1270,valid,Ki,=,1.2,uM,Cc1ccc(cc1)c2c[nH]c3c2C(=O)NC(=N3)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GCK,,,,,,,
,,,EUB:C:302,valid,ic50,=,0.67,uM,c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N,
,,,EUB:B:302,valid,ic50,=,0.67,uM,c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N,
,,,EUB:D:302,valid,ic50,=,0.67,uM,c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N,
,,,EUB:A:302,valid,ic50,=,0.67,uM,c1cc(ccc1COc2ccc3c(c2)sc(n3)N)C#N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,6GEX,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EWK:A:302,valid,ic50,=,0.5,uM,c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,EWK:B:302,valid,ic50,=,0.5,uM,c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,EWK:D:302,valid,ic50,=,0.5,uM,c1ccc(cc1)CNC(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,4CM1,,,,,,,
,,,IQW:D:1270,valid,Ki,=,0.32,uM,Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,IQW:B:1270,valid,Ki,=,0.32,uM,Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,IQW:C:1270,valid,Ki,=,0.32,uM,Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,IQW:A:1270,valid,Ki,=,0.32,uM,Cc1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,DTT:D:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CM7,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1273,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H0V:D:1270,valid,Ki,=,0.26,uM,c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N,
,,,H0V:A:1270,valid,Ki,=,0.26,uM,c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N,
,,,H0V:C:1270,valid,Ki,=,0.26,uM,c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N,
,,,H0V:B:1270,valid,Ki,=,0.26,uM,c1ccc(cc1)CCc2c[nH]c3c2c(nc(n3)N)N,
,,6GCQ,,,,,,,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,,,DMS:D:303,invalid,,,,,CS(=O)C,
,,,DMS:C:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,EUH:C:302,valid,ic50,=,0.5,uM,c1cc2c(cc1SC(F)(F)F)sc(n2)N,
,,,EUH:A:302,valid,ic50,=,0.5,uM,c1cc2c(cc1SC(F)(F)F)sc(n2)N,
,,,EUH:D:302,valid,ic50,=,0.5,uM,c1cc2c(cc1SC(F)(F)F)sc(n2)N,
,,,EUH:B:302,valid,ic50,=,0.5,uM,c1cc2c(cc1SC(F)(F)F)sc(n2)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3JQ6,,,,,,,
,,,DTT:A:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DX1:A:270,valid,Ki,=,3.3,uM,CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C,
,,,DX1:B:270,valid,Ki,=,3.3,uM,CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C,
,,,DX1:C:270,valid,Ki,=,3.3,uM,CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C,
,,,DX1:D:270,valid,Ki,=,3.3,uM,CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CMB,,,,,,,
,,,UEN:C:1270,valid,Ki,=,0.56,uM,c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F,
,,,UEN:B:1270,valid,Ki,=,0.56,uM,c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F,
,,,UEN:A:1270,valid,Ki,=,0.56,uM,c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F,
,,,UEN:D:1270,valid,Ki,=,0.56,uM,c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)F,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CMG,,,,,,,
,,,UHX:B:1270,valid,Ki,=,0.58,uM,COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N,
,,,UHX:A:1270,valid,Ki,=,0.58,uM,COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N,
,,,UHX:C:1270,valid,Ki,=,0.58,uM,COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N,
,,,UHX:D:1270,valid,Ki,=,0.58,uM,COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)F)N)N,
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2X9N,,,,,,,
,,,ACT:C:1272,invalid,,,,,CC(=O)[O-],
,,,AX3:A:1270,valid,Ki,>,0.035,mM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:B:1270,valid,Ki,>,0.035,mM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:C:1270,valid,Ki,>,0.035,mM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:D:1270,valid,Ki,>,0.035,mM,C1CC1Nc2nc(nc(n2)N)N,
,,,D1D:B:1271,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:D:1271,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,DTD:A:1271,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,DTD:C:1271,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,NA:A:1272,Part of Protein,,,,,[Na+],
,,,NA:D:1272,Part of Protein,,,,,[Na+],
,,,NAP:A:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GDP,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EVW:D:302,valid,ic50,=,18.5,uM,c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N,
,,,EVW:A:302,valid,ic50,=,18.5,uM,c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N,
,,,EVW:B:302,valid,ic50,=,18.5,uM,c1ccc(cc1)C(c2ccccc2)NC(=O)c3ccc4c(c3)sc(n4)N,
,,4CMC,,,,,,,
,,,VS8:B:1270,valid,Ki,=,0.2,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N,
,,,VS8:A:1270,valid,Ki,=,0.2,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N,
,,,VS8:C:1270,valid,Ki,=,0.2,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N,
,,,VS8:D:1270,valid,Ki,=,0.2,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)nc(nc3NC5CCCCC5)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CLH,,,,,,,
,,,W8G:D:1271,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:D:1270,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:B:1271,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:A:1270,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:A:1271,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:B:1270,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:C:1270,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,W8G:C:1271,valid,Ki,=,8.6,uM,c1c[nH]c2c1c(nc(n2)N)N3CCSCC3,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:C:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,5JCX,,,,,,,
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,CC6:B:302,valid,ic50,~,60,uM,c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,CC6:D:302,valid,ic50,~,60,uM,c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,CC6:A:302,valid,ic50,~,60,uM,c1ccc(c(c1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,4CMA,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,M2N:D:1270,valid,Ki,=,0.59,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N,
,,,M2N:A:1270,valid,Ki,=,0.59,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N,
,,,M2N:C:1270,valid,Ki,=,0.59,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N,
,,,M2N:B:1270,valid,Ki,=,0.59,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccccc4)N)N,
,,6GD4,,,,,,,
,,,6KT:C:302,valid,,,,,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:B:302,valid,,,,,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:D:302,valid,,,,,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:A:302,valid,,,,,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,3MCV,,,,,,,
,,,ACT:A:270,invalid,,,,,CC(=O)[O-],
,,,ACT:B:270,invalid,,,,,CC(=O)[O-],
,,,ACT:B:271,invalid,,,,,CC(=O)[O-],
,,,ACT:D:270,invalid,,,,,CC(=O)[O-],
,,,MCV:A:300,valid,Ki,=,70,nM,COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC,
,,,MCV:B:300,valid,Ki,=,70,nM,COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC,
,,,MCV:C:300,valid,Ki,=,70,nM,COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC,
,,,MCV:D:300,valid,Ki,=,70,nM,COc1ccc(c(c1)CCc2csc3c2c(nc(n3)N)N)OC,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6HNC,,,,,,,
,,,1CY:D:302,valid,ic50,=,31.6,uM,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,1CY:B:302,valid,ic50,=,31.6,uM,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,1CY:A:302,valid,ic50,=,31.6,uM,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,,DMS:B:307,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GCP,,,,,,,
,,,EUK:D:302,valid,ic50,=,0.9,uM,c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EUK:C:302,valid,ic50,=,0.9,uM,c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EUK:A:302,valid,ic50,=,0.9,uM,c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EUK:B:302,valid,ic50,=,0.9,uM,c1cc(c(cc1CSc2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,2WD8,,,,,,,
,,,CL:A:1269,invalid,,,,,[Cl-],
,,,CL:C:1269,invalid,,,,,[Cl-],
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,VGF:A:1270,valid,Kd,=,10.6,uM,c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl,
,,,VGF:B:1269,valid,Kd,=,10.6,uM,c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl,
,,,VGF:C:1270,valid,Kd,=,10.6,uM,c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl,
,,,VGF:D:1269,valid,Kd,=,10.6,uM,c1ccc(cc1)c2cccc3c2n(c(n3)N)Cc4ccc(c(c4)Cl)Cl,
,,3GN1,,,,,,,
,,,ACT:A:270,invalid,,,,,CC(=O)[O-],
,,,ACT:C:270,invalid,,,,,CC(=O)[O-],
,,,AX7:A:271,valid,Ki,=,288,uM,c1ccc2c(c1)[nH]c(n2)N,
,,,AX7:C:271,valid,Ki,=,288,uM,c1ccc2c(c1)[nH]c(n2)N,
,,,AX7:D:270,valid,Ki,=,288,uM,c1ccc2c(c1)[nH]c(n2)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CM6,,,,,,,
,,,AOB:A:1270,valid,Ki,=,0.137,uM,c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,AOB:D:1270,valid,Ki,=,0.137,uM,c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,AOB:B:1270,valid,Ki,=,0.137,uM,c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,AOB:C:1270,valid,Ki,=,0.137,uM,c1ccc(cc1)/C=C/c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CLE,,,,,,,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,JR2:A:1270,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,JR2:D:1270,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,JR2:B:1270,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,JR2:D:1271,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,JR2:A:1271,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,JR2:C:1270,valid,Ki,=,4.2,uM,c1c[nH]c2c1c(nc(n2)N)N3CCCC3,
,,,DTD:B:1271,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,DTD:C:1271,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,4CM5,,,,,,,
,,,NWJ:D:1270,invalid,,,,,c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O,
,,,NWJ:B:1270,invalid,,,,,c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O,
,,,NWJ:C:1270,invalid,,,,,c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O,
,,,NWJ:A:1270,invalid,,,,,c1cc(cc(c1)c2c(c3c([nH]2)nc(nc3N4CCCC4)N)C#N)C=O,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GN2,,,,,,,
,,,ACT:A:271,invalid,,,,,CC(=O)[O-],
,,,AX8:A:270,valid,Ki,=,0.4,uM,c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N,
,,,AX8:B:270,valid,Ki,=,0.4,uM,c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N,
,,,AX8:C:270,valid,Ki,=,0.4,uM,c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N,
,,,AX8:D:270,valid,Ki,=,0.4,uM,c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N,
,,,AX8:D:271,valid,Ki,=,0.4,uM,c1ccc2c(c1)nc(n2Cc3ccc(c(c3)Cl)Cl)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CMJ,,,,,,,
,,,UIH:A:1270,valid,Ki,=,0.135,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N,
,,,UIH:C:1270,valid,Ki,=,0.135,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N,
,,,UIH:D:1270,valid,Ki,=,0.135,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N,
,,,UIH:B:1270,valid,Ki,=,0.135,uM,c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)Br)N)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2X9G,,,,,,,
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,LYA:A:1270,valid,Ki,~,30,nM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:B:1270,valid,Ki,~,30,nM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:C:1270,valid,Ki,~,30,nM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:D:1270,valid,Ki,~,30,nM,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2C7V,,,,,,,
,,,ACT:A:1274,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1274,invalid,,,,,CC(=O)[O-],
,,,MTX:A:1272,valid,Ki,=,152,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:1272,valid,Ki,=,152,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:1272,valid,Ki,=,152,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:1272,valid,Ki,=,152,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NI:A:1273,Part of Protein,,,,,[Ni+2],
,,,NI:B:1273,Part of Protein,,,,,[Ni+2],
,,3JQE,,,,,,,
,,,ACT:A:271,invalid,,,,,CC(=O)[O-],
,,,DX8:A:270,valid,Ki,=,0.36,uM,COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX8:B:270,valid,Ki,=,0.36,uM,COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX8:C:270,valid,Ki,=,0.36,uM,COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX8:D:270,valid,Ki,=,0.36,uM,COc1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2X9V,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:A:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TMQ:A:1270,valid,Ki,~,70,nM,Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC,
,,,TMQ:B:1270,valid,Ki,~,70,nM,Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC,
,,,TMQ:C:1270,valid,Ki,~,70,nM,Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC,
,,,TMQ:D:1270,valid,Ki,~,70,nM,Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC,
,,4CM3,,,,,,,
,,,KP2:A:1270,valid,Ki,=,0.4,uM,c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,KP2:C:1270,valid,Ki,=,0.4,uM,c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,KP2:D:1270,valid,Ki,=,0.4,uM,c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,KP2:B:1270,valid,Ki,=,0.4,uM,c1ccc(cc1)c2c[nH]c3c2c(nc(n3)N)N,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,DTU:B:1168,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:A:1168,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:C:1168,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:D:1168,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,4CMK,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,FQW:C:1270,valid,Ki,=,0.95,uM,c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,FQW:B:1270,valid,Ki,=,0.95,uM,c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,FQW:A:1270,valid,Ki,=,0.95,uM,c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,FQW:D:1270,valid,Ki,=,0.95,uM,c1ccc(cc1)CCc2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CLD,,,,,,,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,JUO:A:1270,valid,Ki,=,8.8,uM,c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N,
,,,JUO:C:1270,valid,Ki,=,8.8,uM,c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N,
,,,JUO:B:1270,valid,Ki,=,8.8,uM,c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N,
,,,JUO:D:1270,valid,Ki,=,8.8,uM,c1c(c2c([nH]1)nc(nc2N3CCSCC3)N)C#N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4CL8,,,,,,,
,,,OZJ:B:1168,invalid,,,,,c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O,
,,,OZJ:D:1168,invalid,,,,,c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O,
,,,OZJ:A:1168,invalid,,,,,c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O,
,,,OZJ:C:1168,invalid,,,,,c1cc(cc(c1)c2c(c3c(nc(nc3[nH]2)N)N)C#N)C=O,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1270,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1270,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1270,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3JQC,,,,,,,
,,,JU2:A:270,valid,Ki,=,3.9,uM,C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N,
,,,JU2:B:270,valid,Ki,=,3.9,uM,C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N,
,,,JU2:C:270,valid,Ki,=,3.9,uM,C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N,
,,,JU2:D:270,valid,Ki,=,3.9,uM,C(#N)c1c2c([nH]c1Br)N=C(NC2=O)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GEY,,,,,,,
,,,EWT:C:302,valid,ic50,=,5.4,uM,c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EWT:B:302,valid,ic50,=,5.4,uM,c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EWT:A:302,valid,ic50,=,5.4,uM,c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,EWT:D:302,valid,ic50,=,5.4,uM,c1cc(c(cc1CNC(=O)c2ccc3c(c2)sc(n3)N)Cl)Cl,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:D:303,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,3JQD,,,,,,,
,,,ACT:A:271,invalid,,,,,CC(=O)[O-],
,,,DX7:A:270,valid,Ki,=,0.71,uM,c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX7:B:270,valid,Ki,=,0.71,uM,c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX7:C:270,valid,Ki,=,0.71,uM,c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,DX7:D:270,valid,Ki,=,0.71,uM,c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GDO,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EVZ:B:302,valid,ic50,=,0.93,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,EVZ:D:302,valid,ic50,=,0.93,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,EVZ:A:302,valid,ic50,=,0.93,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CSc3ccc4c(c3)sc(n4)N,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,6GD0,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EV8:A:302,valid,ic50,=,21.8,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N,
,,,EV8:D:302,valid,ic50,=,21.8,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N,
,,,EV8:B:302,valid,ic50,=,21.8,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)CNC(=O)c3ccc4c(c3)sc(n4)N,
,Family. Representative Entry is ,4CM4,,,,,,,
,,,4NR:B:1270,valid,Ki,=,0.48,uM,c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F,
,,,4NR:A:1270,valid,Ki,=,0.48,uM,c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F,
,,,4NR:D:1270,valid,Ki,=,0.48,uM,c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F,
,,,4NR:C:1270,valid,Ki,=,0.48,uM,c1cc(ccc1c2cnc-3[nH]c(nc(c23)N)N)F,
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1272,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:1271,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4CMI,,,,,,,
,,,ACT:B:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,M4V:A:1270,valid,Ki,=,0.23,uM,c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N,
,,,M4V:B:1270,valid,Ki,=,0.23,uM,c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N,
,,,M4V:D:1270,valid,Ki,=,0.23,uM,c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N,
,,,M4V:C:1270,valid,Ki,=,0.23,uM,c1ccc(cc1)c2c3c([nH]c2c4ccc(cc4)Br)N=C(NC3=O)N,
,Family. Representative Entry is ,3JQG,,,,,,,
,,,AX6:A:270,valid,Ki,=,18,uM,COc1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX6:B:270,valid,Ki,=,18,uM,COc1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX6:C:270,valid,Ki,=,18,uM,COc1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX6:D:270,valid,Ki,=,18,uM,COc1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JQB,,,,,,,
,,,DTT:D:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DX6:A:270,valid,Ki,=,0.96,uM,c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N,
,,,DX6:B:270,valid,Ki,=,0.96,uM,c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N,
,,,DX6:C:270,valid,Ki,=,0.96,uM,c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JQ7,,,,,,,
,,,ACT:A:270,invalid,,,,,CC(=O)[O-],
,,,ACT:B:270,invalid,,,,,CC(=O)[O-],
,,,DTT:B:272,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DX2:A:271,valid,Ki,=,1.2,uM,c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,DX2:B:271,valid,Ki,=,1.2,uM,c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,DX2:C:270,valid,Ki,=,1.2,uM,c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,DX2:D:270,valid,Ki,=,1.2,uM,c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3BMN,,,,,,,
,,,ACT:D:269,invalid,,,,,CC(=O)[O-],
,,,AX3:A:270,valid,Ki,>,35,uM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:B:270,valid,Ki,>,35,uM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:C:270,valid,Ki,>,35,uM,C1CC1Nc2nc(nc(n2)N)N,
,,,AX3:D:271,valid,Ki,>,35,uM,C1CC1Nc2nc(nc(n2)N)N,
,,,EDO:C:271,invalid,,,,,C(CO)O,
,,,EDO:D:272,invalid,,,,,C(CO)O,
,,,EDO:D:273,invalid,,,,,C(CO)O,
,,,GOL:A:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:274,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4CM8,,,,,,,
,,,DTT:B:1271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1272,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,,,IZ9:C:1270,valid,Ki,=,0.35,uM,Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N,
,,,IZ9:D:1270,valid,Ki,=,0.35,uM,Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N,
,,,IZ9:A:1270,valid,Ki,=,0.35,uM,Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N,
,,,IZ9:B:1270,valid,Ki,=,0.35,uM,Cc1ccc(cc1)/C=C/c2c(c3c(nc(nc3[nH]2)N)N)C#N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:C:1272,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1271,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3JQ8,,,,,,,
,,,DTT:C:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DX3:A:270,valid,Ki,>,35,uM,CC1=Nc2c(nc(nc2NC1(C)C)N)N,
,,,DX3:B:270,valid,Ki,>,35,uM,CC1=Nc2c(nc(nc2NC1(C)C)N)N,
,,,DX3:C:270,valid,Ki,>,35,uM,CC1=Nc2c(nc(nc2NC1(C)C)N)N,
,,,DX3:D:270,valid,Ki,>,35,uM,CC1=Nc2c(nc(nc2NC1(C)C)N)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4CLO,,,,,,,
,,,XP0:B:1270,valid,Ki,=,0.19,uM,c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4,
,,,XP0:C:1270,valid,Ki,=,0.19,uM,c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4,
,,,XP0:A:1270,valid,Ki,=,0.19,uM,c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4,
,,,XP0:D:1270,valid,Ki,=,0.19,uM,c1ccc(cc1)C#Cc2c[nH]c3c2c(nc(n3)N)N4CCCC4,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:D:1271,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4CME,,,,,,,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,KTZ:C:1270,valid,Ki,=,0.29,uM,CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4,
,,,KTZ:B:1270,valid,Ki,=,0.29,uM,CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4,
,,,KTZ:D:1270,valid,Ki,=,0.29,uM,CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4,
,,,KTZ:A:1270,valid,Ki,=,0.29,uM,CN(C)c1c2c(c([nH]c2nc(n1)N)c3ccccc3)c4ccccc4,
,Family. Representative Entry is ,3JQF,,,,,,,
,,,ACT:A:273,invalid,,,,,CC(=O)[O-],
,,,ACT:A:274,invalid,,,,,CC(=O)[O-],
,,,ACT:A:275,invalid,,,,,CC(=O)[O-],
,,,ACT:C:271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:274,invalid,,,,,CC(=O)[O-],
,,,ACT:D:273,invalid,,,,,CC(=O)[O-],
,,,AX2:A:270,valid,,,,,c1(nc(nc(n1)N)N)N,
,,,AX2:B:270,valid,,,,,c1(nc(nc(n1)N)N)N,
,,,AX2:C:272,valid,,,,,c1(nc(nc(n1)N)N)N,
,,,AX2:D:270,valid,,,,,c1(nc(nc(n1)N)N)N,
,,,D1D:A:272,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:B:272,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:C:270,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:D:272,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,DTT:A:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:276,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:273,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:275,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JQA,,,,,,,
,,,DX4:A:270,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,,DX4:B:270,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,,DX4:C:270,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,,DX4:D:270,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3BMQ,,,,,,,
,,,ACT:B:269,invalid,,,,,CC(=O)[O-],
,,,ACT:C:269,invalid,,,,,CC(=O)[O-],
,,,AX5:A:270,valid,Ki,=,3.2,uM,c1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX5:B:271,valid,Ki,=,3.2,uM,c1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX5:C:271,valid,Ki,=,3.2,uM,c1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,AX5:D:270,valid,Ki,=,3.2,uM,c1ccc(cc1)CSc2cc(nc(n2)N)N,
,,,DTT:A:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:271,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:273,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3H4V,,,,,,,
,,,DVP:A:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:B:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:C:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:D:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:E:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:F:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:G:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,DVP:H:301,valid,Ki,=,0.1,uM,COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N,
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BF7,,,,,,,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:B:1291,invalid,,,,,C(CO)O,
,,,EDO:C:1291,invalid,,,,,C(CO)O,
,,,EDO:C:1292,invalid,,,,,C(CO)O,
,,,EDO:D:1291,invalid,,,,,C(CO)O,
,,,HBI:A:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:C:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:D:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,NAP:A:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5L4N,,,,,,,
,,,NDP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PGE:D:302,invalid,,,,,C(COCCOCCO)O,
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,6QT:A:601,valid,ic50,=,57,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,6QT:B:601,valid,ic50,=,57,uM,c1cc(cc(c1)O)[C@H]2CC(=O)c3cc(ccc3O2)O,
,,,PEG:C:302,invalid,,,,,C(COCCO)O,
,,1E7W,,,,,,,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:B:1289,invalid,,,,,C(CO)O,
,,,MTX:A:301,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:301,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1E92,,,,,,,
,,,EDO:B:1291,invalid,,,,,C(CO)O,
,,,EDO:B:1292,invalid,,,,,C(CO)O,
,,,EDO:B:1293,invalid,,,,,C(CO)O,
,,,EDO:D:1291,invalid,,,,,C(CO)O,
,,,HBI:A:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:C:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:D:1290,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,NAP:A:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3BMO,,,,,,,
,,,ACT:A:269,invalid,,,,,CC(=O)[O-],
,,,ACT:A:270,invalid,,,,,CC(=O)[O-],
,,,ACT:A:271,invalid,,,,,CC(=O)[O-],
,,,ACT:B:269,invalid,,,,,CC(=O)[O-],
,,,ACT:C:269,invalid,,,,,CC(=O)[O-],
,,,ACT:C:270,invalid,,,,,CC(=O)[O-],
,,,ACT:D:269,invalid,,,,,CC(=O)[O-],
,,,AX4:A:274,valid,Ki,=,5.4,uM,Cc1ccc(cc1)Sc2cc(nc(n2)N)N,
,,,AX4:B:271,valid,Ki,=,5.4,uM,Cc1ccc(cc1)Sc2cc(nc(n2)N)N,
,,,AX4:C:272,valid,Ki,=,5.4,uM,Cc1ccc(cc1)Sc2cc(nc(n2)N)N,
,,,AX4:D:271,valid,Ki,=,5.4,uM,Cc1ccc(cc1)Sc2cc(nc(n2)N)N,
,,,D1D:A:276,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:B:273,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:C:274,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,D1D:D:273,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,DTT:A:275,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:272,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:273,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:272,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:274,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:275,invalid,,,,,C(C(CO)O)O,
,,,NA:A:272,Part of Protein,,,,,[Na+],
,,,NAP:A:273,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4CM9,,,,,,,
,,,YGL:A:1270,valid,Ki,=,1.17,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,YGL:C:1270,valid,Ki,=,1.17,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,YGL:D:1270,valid,Ki,=,1.17,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,YGL:B:1270,valid,Ki,=,1.17,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)N=C(NC3=O)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,DTT:A:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:1168,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ACT:C:1271,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4CLR,,,,,,,
,,,FDB:B:1270,valid,Ki,=,7.3,uM,Cc1c[nH]c2c1C(=O)NC(=N2)N,
,,,FDB:A:1270,valid,Ki,=,7.3,uM,Cc1c[nH]c2c1C(=O)NC(=N2)N,
,,,FDB:C:1270,valid,Ki,=,7.3,uM,Cc1c[nH]c2c1C(=O)NC(=N2)N,
,,,FDB:D:1270,valid,Ki,=,7.3,uM,Cc1c[nH]c2c1C(=O)NC(=N2)N,
,,,NAP:C:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JQ9,,,,,,,
,,,AX1:A:270,valid,Ki,=,0.4,uM,c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2,
,,,AX1:B:270,valid,Ki,=,0.4,uM,c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2,
,,,AX1:C:270,valid,Ki,=,0.4,uM,c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2,
,,,AX1:D:270,valid,Ki,=,0.4,uM,c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2WD7,,,,,,,
,,,NAP:A:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,VGD:A:1269,valid,Ki,=,10.6,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
,,,VGD:B:1269,valid,Ki,=,10.6,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
,,,VGD:C:1269,valid,Ki,=,10.6,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
,,,VGD:D:1269,valid,Ki,=,10.6,uM,c1cc2c(cc1Cl)[nH]c(n2)N,
6.3.4.14,,,,,,,,,
,Family. Representative Entry is ,2V58,,,,,,,
,,,CL:A:1449,invalid,,,,,[Cl-],
,,,CL:B:1448,invalid,,,,,[Cl-],
,,,LZJ:A:1448,valid,Kd,=,0.82,nM,c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br,
,,,LZJ:B:1447,valid,Kd,=,0.82,nM,c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br,
,,2W6O,,,,,,,
,,,CL:A:1447,invalid,,,,,[Cl-],
,,,CL:C:1448,invalid,,,,,[Cl-],
,,,OA3:A:1446,valid,ic50,=,60.8,uM,CC1(Cc2c(c(ncn2)N)C(=O)C1)C,
,,,OA3:C:1447,valid,ic50,=,60.8,uM,CC1(Cc2c(c(ncn2)N)C(=O)C1)C,
,,3JZI,,,,,,,
,,,JZL:A:466,valid,ic50,=,5,uM,c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl,
,,,JZL:B:466,valid,ic50,=,5,uM,c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl,
,,3JZF,,,,,,,
,,,CO3:A:466,invalid,,,,,C(=O)([O-])[O-],
,,,JZK:B:466,valid,ic50,=,5,uM,c1ccc(c(c1)CNc2nc3cc(ccc3n2CC4CCCCC4)C(=O)N)Cl,
,,3G8C,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BCT:A:1006,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1007,invalid,,,,,C(=O)(O)[O-],
,,,BTN:A:1004,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1005,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,3RV3,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,2V59,,,,,,,
,,,LZK:A:1446,valid,Kd,=,6.53,nM,COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC,
,,,LZK:B:1446,valid,Kd,=,6.53,nM,COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC,
,,2W70,,,,,,,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CL:B:1448,invalid,,,,,[Cl-],
,,,L22:A:1447,valid,ic50,=,12,uM,c1cnc(nc1c2csc(n2)N)N,
,,,L22:B:1447,valid,ic50,=,12,uM,c1cnc(nc1c2csc(n2)N)N,
,,3RV4,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BCT:A:1006,invalid,,,,,C(=O)(O)[O-],
,,,CL:A:1010,invalid,,,,,[Cl-],
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CS:A:1008,invalid,,,,,[Cs+],
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MOH:A:1016,invalid,,,,,CO,
,,,NA:A:1012,Part of Protein,,,,,[Na+],
,,,NA:A:450,Part of Protein,,,,,[Na+],
,,2W6P,,,,,,,
,,,OA4:A:1447,valid,ic50,=,0.333,uM,Cc1c(ccc2c1c(nc(n2)N)N)c3ccccc3,
,,3G8D,,,,,,,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DV2,,,,,,,
,,,ATP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2V5A,,,,,,,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CL:B:1446,invalid,,,,,[Cl-],
,,,LZL:A:1447,valid,ic50,=,150,nM,c1ccc(cc1)c2cc3cnc(nc3nc2N4CC=CC4)N,
,,2W6N,,,,,,,
,,,CL:A:1447,invalid,,,,,[Cl-],
,,,CL:B:1447,invalid,,,,,[Cl-],
,,,OA2:A:1446,valid,ic50,=,0.125,uM,c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N,
,,,OA2:B:1446,valid,ic50,=,0.125,uM,c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N,
,,2W6M,,,,,,,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CL:B:1447,invalid,,,,,[Cl-],
,,,OA1:A:1447,valid,ic50,=,21.5,uM,c1cc(cc(c1)Br)C(=O)c2cnc(o2)N,
,,,OA1:B:1446,valid,ic50,=,21.5,uM,c1cc(cc(c1)Br)C(=O)c2cnc(o2)N,
,,2W6Q,,,,,,,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CL:B:1447,invalid,,,,,[Cl-],
,,,OA5:A:1447,valid,ic50,=,25.4,uM,c1ccc(cc1)OCCOc2nc(nc(n2)N)N,
,,,OA5:B:1446,valid,ic50,=,25.4,uM,c1ccc(cc1)OCCOc2nc(nc(n2)N)N,
,,2J9G,,,,,,,
,,,ADP:B:1449,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:1449,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1447,Part of Protein,,,,,[Mg+2],
,,,MG:B:1447,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1448,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1448,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2W6Z,,,,,,,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CL:B:1446,invalid,,,,,[Cl-],
,,,L21:A:1447,valid,ic50,=,1500,uM,CC(=CCn1cnc(c-2ncnc12)N)C,
,,6OI9,,,,,,,
,,,MQM:A:501,valid,,,,,c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl,
,,,MQM:B:501,valid,,,,,c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4CC[C@H](C4)CN)N)Cl,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,3RUP,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:A:1006,Part of Protein,,,,,[Ca+2],
,,,CA:B:1005,Part of Protein,,,,,[Ca+2],
,,,CA:B:1007,Part of Protein,,,,,[Ca+2],
,,,CL:A:1008,invalid,,,,,[Cl-],
,,,CL:B:1009,invalid,,,,,[Cl-],
,,,CL:B:1011,invalid,,,,,[Cl-],
,,2W71,,,,,,,
,,,CL:A:1447,invalid,,,,,[Cl-],
,,,CL:C:1447,invalid,,,,,[Cl-],
,,,L23:A:1448,valid,ic50,=,0.334,uM,Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N,
,,,L23:C:1448,valid,ic50,=,0.334,uM,Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N,
,Family. Representative Entry is ,2VQD,,,,,,,
,,,AP2:A:1448,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:1449,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1450,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4RZQ,,,,,,,
,,,Y7Y:A:501,valid,,,,,COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)N(C(=O)N2)C(=O)OC,
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4MV6,,,,,,,
,,,PCT:A:504,valid,,,,,C(C(=O)N)P(=O)(O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,4MV4,,,,,,,
,,,ACP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,4MV1,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4MV8,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4MV7,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,PPF:A:501,valid,,,,,C(=O)(O)P(=O)(O)O,
,,4MV3,,,,,,,
,,,ACP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,6OI8,,,,,,,
,,,MQV:A:502,valid,,,,,c1cc(c(c(c1)Cl)c2cc3cnc(nc3nc2N4C[C@@H]5[C@H](C4)C5N)N)c6cccnc6,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2VPQ,,,,,,,
,,,ANP:A:1449,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:1452,invalid,,,,,[Cl-],
,,,CL:B:1453,invalid,,,,,[Cl-],
,,,MG:A:1450,Part of Protein,,,,,[Mg+2],
,,,MG:A:1451,Part of Protein,,,,,[Mg+2],
,,,MG:B:1451,Part of Protein,,,,,[Mg+2],
,,,MG:B:1452,Part of Protein,,,,,[Mg+2],
2.3.2.5,,,,,,,,,
,Family. Representative Entry is ,4F9U,,,,,,,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PBD:A:402,valid,Ki,=,3139,nM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:402,valid,Ki,=,3139,nM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4F9V,,,,,,,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PBD:A:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3PB9,,,,,,,
,,,1BN:X:390,valid,Ki,=,0.262,uM,c1ccc(cc1)Cn2ccnc2,
,,,ZN:X:400,Part of Protein,,,,,[Zn+2],
,,3PB7,,,,,,,
,,,PBD:X:390,valid,Ki,=,1.817,uM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,ZN:X:400,Part of Protein,,,,,[Zn+2],
,,3PB8,,,,,,,
,,,AHN:X:390,valid,Ki,=,5.748,uM,CC(=O)NCCc1c[nH]cn1,
,,,ZN:X:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4FAI,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,PBD:A:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4FBE,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,PBD:A:401,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6GBX,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:C:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,S77:C:403,valid,Ki,=,0.02,uM,Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F,
,,,S77:B:403,valid,Ki,=,0.02,uM,Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F,
,,,S77:A:403,valid,Ki,=,0.02,uM,Cn1cnnc1C2CCN(CC2)c3c(cccn3)c4ccc(nc4)F,
,,2AFU,,,,,,,
,,,BGT:A:381,valid,,,,,CC(C)(C)OC(=O)[C@H](CCC(=O)N)N,
,,,BGT:B:382,valid,,,,,CC(C)(C)OC(=O)[C@H](CCC(=O)N)N,
,,,ZN:A:391,Part of Protein,,,,,[Zn+2],
,,,ZN:B:392,Part of Protein,,,,,[Zn+2],
,,6YJY,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:B:410,Part of Protein,,,,,[Zn+2],
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PCA LEU TYR:A:411,valid,,,,,,
,,,PCA LEU TYR:B:414,valid,,,,,,
,,,GLN LEU TYR:B:411,valid,,,,,,
,,3PBB,,,,,,,
,,,PBD:A:380,valid,Ki,=,0.095,uM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:381,valid,Ki,=,0.095,uM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,ZN:A:391,Part of Protein,,,,,[Zn+2],
,,,ZN:B:392,Part of Protein,,,,,[Zn+2],
,,2AFW,,,,,,,
,,,AHN:A:1501,valid,Ki,=,17,uM,CC(=O)NCCc1c[nH]cn1,
,,,AHN:B:2501,valid,Ki,=,17,uM,CC(=O)NCCc1c[nH]cn1,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:996,Part of Protein,,,,,[Zn+2],
,,,ZN:B:997,Part of Protein,,,,,[Zn+2],
,,4YWY,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,PBD:C:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:B:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,PBD:A:402,valid,,,,,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,2AFZ,,,,,,,
,,,NVI:A:381,valid,,,,,C=C[n+]1cc[nH]c1,
,,,NVI:B:1381,valid,,,,,C=C[n+]1cc[nH]c1,
,,,SO4:A:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:391,Part of Protein,,,,,[Zn+2],
,,,ZN:B:392,Part of Protein,,,,,[Zn+2],
,,2AFX,,,,,,,
,,,1BN:A:1501,valid,,,,,c1ccc(cc1)Cn2ccnc2,
,,,1BN:B:2501,valid,,,,,c1ccc(cc1)Cn2ccnc2,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:996,Part of Protein,,,,,[Zn+2],
,,,ZN:B:997,Part of Protein,,,,,[Zn+2],
,,6YI1,,,,,,,
,,,PEG:B:416,invalid,,,,,C(COCCO)O,
,,,PEG:A:417,invalid,,,,,C(COCCO)O,
,,,PEG:A:418,invalid,,,,,C(COCCO)O,
,,,PEG:A:416,invalid,,,,,C(COCCO)O,
,,,PEG:B:417,invalid,,,,,C(COCCO)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,PG4:A:414,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:413,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:415,invalid,,,,,C(COCCOCCOCCO)O,
,,,MES:B:419,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:420,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,DIO:A:412,invalid,,,,,C1COCCO1,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:414,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:415,invalid,,,,,C(COCCOCCO)O,
,,,ORT PHE 66N:A:422,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)C)Cc1ccccc1)C([NH3+])CCC(=O)NN,
,,,ORT PHE 66N:A:419,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)C)Cc1ccccc1)C([NH3+])CCC(=O)NN,
,,,ORT PHE 66N:B:422,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)C)Cc1ccccc1)C([NH3+])CCC(=O)NN,
,Family. Representative Entry is ,3SI2,,,,,,,
,,,ACT:A:2,invalid,,,,,CC(=O)[O-],
,,,NAG NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PBD:A:999,valid,ic50,=,3,nM,COc1ccc(cc1OC)NC(=S)NCCCn2ccnc2,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
2.4.2.10,,,,,,,,,
,Family. Representative Entry is ,1LH0,,,,,,,
,,,MG:B:5003,invalid,,,,,[Mg+2],
,,,ORO:A:4001,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:5001,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,PRP:B:5002,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1OPR,,,,,,,
,,,MG:A:300,invalid,,,,,[Mg+2],
,,,ORO:A:220,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,PRP:A:221,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2PS1,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,ORO:A:500,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:600,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,PRP:A:700,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:800,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,2PRZ,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:225,invalid,,,,,[Cl-],
,,,CL:C:2,invalid,,,,,[Cl-],
,,,CL:D:225,invalid,,,,,[Cl-],
,,,OMP:A:450,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,OMP:B:550,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,OMP:C:650,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,OMP:D:750,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
2.3.1.178,,,,,,,,,
,Family. Representative Entry is ,6SLL,,,,,,,
,,,DAB:B:202,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,,DAB:A:202,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6SJY,,,,,,,
,,,9YT:C:202,valid,,,,,CC(=O)NCC[C@@H](C(=O)O)N,
,,,9YT:B:202,valid,,,,,CC(=O)NCC[C@@H](C(=O)O)N,
,,,9YT:A:202,valid,,,,,CC(=O)NCC[C@@H](C(=O)O)N,
,,,TRS:B:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,6SK1,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
1.2.1.21,,,,,,,,,
,Family. Representative Entry is ,2IMP,,,,,,,
,,,LAC:A:508,valid,,,,,C[C@H](C(=O)O)O,
,,,NAI:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
3.1.3.18,,,,,,,,,
,Family. Representative Entry is ,1TE2,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:704,Part of Protein,,,,,[Ca+2],
,,,PGA:A:711,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:712,valid,,,,,C(C(=O)O)OP(=O)(O)O,
3.1.1.98,,,,,,,,,
,Family. Representative Entry is ,6ZVL,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,QR2:A:509,valid,ic50,=,18,nM,c1cc(c(cc1C2=NNC(=O)O2)C(F)(F)F)Cl,
,,6TR7,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HWH:A:521,valid,ic50,=,37,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)F,
,,,HWH:A:520,valid,ic50,=,37,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)F,
,,,NAG:A:519,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6YUY,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PQH:A:518,valid,ic50,=,6.7,uM,Cc1c(cc([nH]1)C(F)(F)F)C(=O)O,
,,,NAG:A:519,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:517,invalid,,,,,CS(=O)C,
,,6YXI,,,,,,,
,,,SO4:A:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1511,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,DMS:A:1503,invalid,,,,,CS(=O)C,
,,,PZ8:A:1501,valid,ic50,=,14,uM,Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O,
,,,NAG:A:1502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6YV0,,,,,,,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PQT:A:506,valid,ic50,=,18.6,uM,c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl,
,,6R8P,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:516,invalid,,,,,CS(=O)C,
,,,JVB:A:517,valid,ic50,=,33,uM,Cc1ccccc1OCC(=O)Nc2cccnc2,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6TR6,,,,,,,
,,,ASE:A:513,valid,ic50,=,94,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)O,
,,,ASE:A:512,valid,ic50,=,94,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,6YSK,,,,,,,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,PJK:A:508,valid,ic50,=,0.11,uM,c1cc(c(cc1N2CC[C@@H](C2)C(=O)O)C(F)(F)F)Cl,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,6R8R,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,DMS:A:513,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:515,invalid,,,,,CS(=O)C,
,,,DMS:A:514,invalid,,,,,CS(=O)C,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,JV8:A:502,valid,ic50,=,0.085,uM,Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2,
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6TR5,,,,,,,
,,,ML1:A:502,valid,ic50,=,75,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:A:501,valid,ic50,=,75,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,6TV4,,,,,,,
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,CFF:A:616,valid,Kd,=,85,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UZL,,,,,,,
,,,MYZ:B:1453,valid,,,,,CCCC/C=CCCCCCCCC(=O)O,
,,,MYZ:A:1452,valid,,,,,CCCC/C=CCCCCCCCC(=O)O,
,,,NAG:B:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UZ9,,,,,,,
,,,NAG:A:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:1454,invalid,,,,,[Cl-],
,,,GU4 YYJ:B:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,4UZ6,,,,,,,
,,,NAG:A:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:B:1454,invalid,,,,,[Cl-],
,,,CL:A:1454,invalid,,,,,[Cl-],
,,,GU4 YYJ:C:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,,GU4 YYJ:D:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,4UZQ,,,,,,,
,,,CL:A:1458,invalid,,,,,[Cl-],
,,,CL:A:1459,invalid,,,,,[Cl-],
,,,CL:A:1457,invalid,,,,,[Cl-],
,,,CYS HIS GLY VAL SER GLY SER CYS PAM:B:206,valid,,,,,O=C(OCC([NH3+])C=O)CCCCCCCC=CCCCCCC,
,,,NAG:A:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:1456,Part of Protein,,,,,[Na+],
,,,NA:A:1455,Part of Protein,,,,,[Na+],
,,6YV2,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,PUE:A:502,valid,ic50,=,48,uM,c1ccc(cc1)N2CC[C@H](C2)C(=O)O,
,,6R8Q,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,JV5:A:515,valid,ic50,=,0.12,uM,Cc1ccccc1OCC(=O)Nc2ccc3c(c2)nn[nH]3,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6T2K,,,,,,,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,M9K:A:503,valid,,,,,c1nc2c(c(sc2c(n1)SCC(=O)O)Cl)C3CC3,
,,6T2H,,,,,,,
,,,NAG:A:523,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:A:501,invalid,,,,,CS(=O)C,
,,,M9N:A:524,valid,,,,,Cc1c(c2c(s1)NCN[C@H]2SCC(=O)O)Cl,
,,6YUW,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PQZ:A:503,valid,ic50,=,12.7,uM,Cc1cc(c(n1CC2CC2)C)C(=O)O,
,,6ZUV,,,,,,,
,,,B1J:A:511,valid,ic50,=,11.5,uM,c1cc(ccc1n2cc(nn2)CO)Cl,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UYW,,,,,,,
,,,NAG:A:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SGN UAP:C:1,valid,Kd,=,6.4,uM,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,6YV4,,,,,,,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PQK:A:501,valid,ic50,=,6.3,uM,Cc1cc(c(n1C2CC2)C)C(=O)O,
,,6TUZ,,,,,,,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:529,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:527,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:528,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,NAG:A:530,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TEP:A:531,valid,Kd,=,6.8,mM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
3.5.99.10,,,,,,,,,
,Family. Representative Entry is ,5HP8,,,,,,,
,,,PYR:A:201,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:201,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:201,valid,,,,,CC(=O)C(=O)O,
3.1.1.47,,,,,,,,,
,Family. Representative Entry is ,5LP1,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,71H:A:503,valid,ic50,=,0.398,nM,CCN(CC)CCN(CC12CC(C1)(C2)c3ccc(cc3)C(F)(F)F)C(=O)CN4C5=C(CC=C5)C(=O)N=C4SCc6ccc(cc6)F,
,,5YE8,,,,,,,
,,,8U3:B:501,valid,ic50,~,1,mM,CS(=O)(=O)Nc1ccc(c(c1)F)F,
,,,8U3:A:501,valid,ic50,~,1,mM,CS(=O)(=O)Nc1ccc(c(c1)F)F,
,,5JAH,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,6HQ:A:502,valid,,,,,CC1(C(=O)NC(=O)N1C)C,
,,5JAP,,,,,,,
,,,6HZ:A:504,valid,ic50,=,0.23,uM,Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,5LZ4,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,7BW:A:503,valid,Kd,=,2,uM,CC1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)C,
,,5JAL,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,6HO:A:505,valid,Kd,=,980,uM,c1cc(cc(c1)F)C(=O)N2CC=CC2,
,,5YE9,,,,,,,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8U6:A:501,valid,ic50,=,355,nM,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3,
,,,8U6:B:501,valid,ic50,=,355,nM,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc4ccccc4c3,
,,5JAN,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,6HP:A:504,valid,,,,,CC(C)COC1=CC(=O)N(C(=O)N1C)C,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,5JAS,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,6HW:A:504,valid,ic50,=,1.7,uM,Cc1ccccc1c2cc(ccc2C)Nc3nccs3,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,5LZ9,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,7BR:A:503,valid,ic50,=,0.12,uM,CC1(CCS(=O)(=O)CC1)[C@@H]2CC(=O)N(C2)CCOc3ccc(c(c3)C#N)F,
,,5LZ2,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,7BX:A:503,valid,ic50,~,1,mM,c1cc(cc(c1)S(=O)(=O)NC2CC2)C#N,
,,5YE7,,,,,,,
,,,8U0:A:501,valid,ic50,=,3431,nM,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3,
,,,8U0:B:501,valid,ic50,=,3431,nM,CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Oc3ccc4ccccc4c3,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5JAT,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,6HR:A:503,valid,ic50,=,0.23,uM,Cc1ccccc1c2cc(ccc2C)Nc3nc(cs3)CCCO,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,5LZ8,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,7BP:A:503,valid,ic50,=,0.98,uM,CC(C)(C)[C@@H]1CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F,
,,5JAU,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,6HU:A:504,valid,ic50,=,0.0014,uM,Cc1ccccc1c2cc(c(cc2C)OCCN)Nc3ccn(n3)C[C@@H](CO)OC,
,,5LZ7,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,7BK:A:502,valid,Kd,=,0.53,uM,C[C@@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3,
,,5YEA,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8U9:A:503,valid,ic50,=,5,nM,c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl,
,,,8U9:B:502,valid,ic50,=,5,nM,c1cc(ccc1C(=O)O)S(=O)(=O)Nc2ccc(c(c2)C#N)Oc3ccc(c(c3)C(F)(F)F)Cl,
,,5LYY,,,,,,,
,,,7BJ:A:501,valid,ic50,=,14,uM,c1cc(ccc1OCCN2C(=O)C3(CCCCC3)NC2=O)F,
,,5JAR,,,,,,,
,,,DMS:A:501,invalid,,,,,CS(=O)C,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,6HV:A:504,valid,ic50,=,2,uM,Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3,
,,5LZ5,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,7K4:A:503,valid,Kd,=,0.45,uM,C[C@]1(CC(=O)N(C1)CCOc2ccc(c(c2)C#N)F)c3ccccc3,
,,5I8P,,,,,,,
,,,VQ7:B:501,valid,Kd,=,0.000000064,M,CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4,
,,,VQ7:A:501,valid,Kd,=,0.000000064,M,CN1C(=CC(=NC1=O)OCc2cc(c(c(c2)F)Oc3ccc(c(c3)C(F)(F)F)Cl)F)N4CCS(=O)(=O)CC4,
,,5JAD,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,FB2:A:504,valid,Kd,=,3.4,mM,c1ccc(cc1)S(=O)(=O)N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,5JAO,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,6HX:A:504,valid,,,,,Cc1ccc(cc1c2ccccc2Cl)N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
1.1.1.14,,,,,,,,,
,Family. Representative Entry is ,1PL6,,,,,,,
,,,572:A:405,valid,Ki,=,154,nM,CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO,
,,,572:B:407,valid,Ki,=,154,nM,CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO,
,,,572:C:409,valid,Ki,=,154,nM,CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO,
,,,572:D:411,valid,Ki,=,154,nM,CN(C)S(=O)(=O)N1CCN(CC1)c2ccnc(n2)CO,
,,,NAD:A:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:406,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:408,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:410,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,1PL8,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
6.3.2.2,,,,,,,,,
,Family. Representative Entry is ,2GWD,,,,,,,
,,,ACT:A:516,invalid,,,,,CC(=O)[O-],
,,,ACT:A:517,invalid,,,,,CC(=O)[O-],
,,,ACT:A:518,invalid,,,,,CC(=O)[O-],
,,,ACT:A:519,invalid,,,,,CC(=O)[O-],
,,,ACT:A:520,invalid,,,,,CC(=O)[O-],
,,,GLU:A:521,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:515,Part of Protein,,,,,[Mg+2],
,,2GWC,,,,,,,
,,,BSC:A:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:B:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:C:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:D:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:E:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:F:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:G:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,BSC:H:2,valid,,,,,CCCCS(=N)(=O)CC[C@@H](C(=O)O)N,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:C:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:E:1,Part of Protein,,,,,[Mg+2],
,,,MG:F:1,Part of Protein,,,,,[Mg+2],
,,,MG:G:1,Part of Protein,,,,,[Mg+2],
,,,MG:H:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3LVW,,,,,,,
,,,GSH:A:693,valid,Ki,=,2.12,mM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PGE:A:694,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:695,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:696,invalid,,,,,C(COCCOCCO)O,
,,3LVV,,,,,,,
,,,ADP:A:694,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LBP:A:693,valid,,,,,CCCC[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,MG:A:695,Part of Protein,,,,,[Mg+2],
,,,MG:A:696,Part of Protein,,,,,[Mg+2],
,,,MG:A:697,Part of Protein,,,,,[Mg+2],
,,,PGE:A:698,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,1VA6,,,,,,,
,,,ADP:A:521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:522,Part of Protein,,,,,[Mg+2],
,,,MG:A:523,Part of Protein,,,,,[Mg+2],
,,,MG:A:524,Part of Protein,,,,,[Mg+2],
,,,MG:A:525,Part of Protein,,,,,[Mg+2],
,,,MG:B:1522,Part of Protein,,,,,[Mg+2],
,,,MG:B:1523,Part of Protein,,,,,[Mg+2],
,,,MG:B:1524,Part of Protein,,,,,[Mg+2],
,,,MG:B:1525,Part of Protein,,,,,[Mg+2],
,,,P2S:A:520,valid,,,,,CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O,
,,,P2S:B:1520,valid,,,,,CC[C@H](C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N)C(=O)O,
,,,P6G:A:526,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1526,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2D32,,,,,,,
,,,ANP:A:1521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:3521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:4521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CYS:A:1520,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:2520,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:C:3520,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:D:4520,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,GLU:A:1519,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:2519,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:3519,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:4519,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:1522,Part of Protein,,,,,[Mg+2],
,,,MG:A:1523,Part of Protein,,,,,[Mg+2],
,,,MG:A:1524,Part of Protein,,,,,[Mg+2],
,,,MG:A:1525,Part of Protein,,,,,[Mg+2],
,,,MG:B:2522,Part of Protein,,,,,[Mg+2],
,,,MG:B:2523,Part of Protein,,,,,[Mg+2],
,,,MG:B:2524,Part of Protein,,,,,[Mg+2],
,,,MG:C:3522,Part of Protein,,,,,[Mg+2],
,,,MG:C:3523,Part of Protein,,,,,[Mg+2],
,,,MG:C:3524,Part of Protein,,,,,[Mg+2],
,,,MG:D:4522,Part of Protein,,,,,[Mg+2],
,,,MG:D:4523,Part of Protein,,,,,[Mg+2],
,,,MG:D:4524,Part of Protein,,,,,[Mg+2],
3.2.1.89,,,,,,,,,
,Family. Representative Entry is ,1UR4,,,,,,,
,,,CA:A:1398,Part of Protein,,,,,[Ca+2],
,,,CA:B:1400,Part of Protein,,,,,[Ca+2],
,,,PEG:A:1397,invalid,,,,,C(COCCO)O,
,,,PEG:B:1398,invalid,,,,,C(COCCO)O,
,,,PGE:B:1399,invalid,,,,,C(COCCOCCO)O,
,,,GAL GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,2GFT,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,GAL GAL GAL:C:1,valid,,,,,,
,,,GAL GAL GAL:D:1,valid,,,,,,
,,2CCR,,,,,,,
,,,CA:A:1397,Part of Protein,,,,,[Ca+2],
,,,CA:B:1400,Part of Protein,,,,,[Ca+2],
,,,PGE:B:1398,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1399,invalid,,,,,C(COCCOCCO)O,
,,,GAL GAL GAL:C:1,valid,,,,,,
,,,GAL GAL GAL:E:1,valid,,,,,,
,,,GAL GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,1UR0,,,,,,,
,,,CA:A:1397,Part of Protein,,,,,[Ca+2],
,,,CA:B:1400,Part of Protein,,,,,[Ca+2],
,,,PGE:B:1398,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1399,invalid,,,,,C(COCCOCCO)O,
,,,GAL GAL GAL:C:1,valid,,,,,,
,,,GAL GAL GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,6GPA,,,,,,,
,,,GAL:B:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
1.1.1.132,,,,,,,,,
,Family. Representative Entry is ,1MUU,,,,,,,
,,,GDX:B:1005,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:B:1006,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:D:1007,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:D:1008,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,1MV8,,,,,,,
,,,ACY:C:2009,invalid,,,,,CC(=O)O,
,,,ACY:C:2010,invalid,,,,,CC(=O)O,
,,,GDX:A:2005,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:A:2006,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:D:2007,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,GDX:D:2008,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O)N,
,,,MPD:C:2011,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:2004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
1.2.1.31,,,,,,,,,
,Family. Representative Entry is ,6O4C,,,,,,,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:B:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:602,invalid,,,,,C(COCCOCCO)O,
,,,EDO:G:605,invalid,,,,,C(CO)O,
,,,EDO:H:605,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:F:604,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:G:604,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,CL:E:605,invalid,,,,,[Cl-],
,,,CL:D:605,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:D:606,invalid,,,,,[Cl-],
,,,CL:G:607,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:E:606,invalid,,,,,[Cl-],
,,,CL:G:606,invalid,,,,,[Cl-],
,,,1PE:H:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:E:607,invalid,,,,,[Mg+2],
,,,MG:F:605,invalid,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,PEG:E:603,invalid,,,,,C(COCCO)O,
,,,PG4:H:602,invalid,,,,,C(COCCOCCOCCO)O,
,,4ZUL,,,,,,,
,,,UN1:H:603,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:A:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:B:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:F:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:C:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:D:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:G:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:E:602,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,PG4:H:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:G:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:601,invalid,,,,,C(COCCOCCO)O,
,,4ZUK,,,,,,,
,,,NAD:C:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PG4:H:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:601,invalid,,,,,C(COCCOCCOCCO)O,
,,6U2X,,,,,,,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6O4L,,,,,,,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:604,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:D:601,invalid,,,,,C(CO)O,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,6O4B,,,,,,,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,CL:E:603,invalid,,,,,[Cl-],
,,,CL:E:602,invalid,,,,,[Cl-],
,,,CL:D:602,invalid,,,,,[Cl-],
,,,CL:G:603,invalid,,,,,[Cl-],
,,,CL:G:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,PGE:G:605,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:606,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:606,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:606,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:605,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:605,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,1PE:C:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:E:607,invalid,,,,,C(CO)O,
,,,EDO:D:605,invalid,,,,,C(CO)O,
,,,EDO:D:606,invalid,,,,,C(CO)O,
,,6O4G,,,,,,,
,,,UN1:B:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:E:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:H:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:G:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,4X0T,,,,,,,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,3W9:B:602,invalid,,,,,CCN(CC)c1ccc(cc1)C=O,
,,,3W9:D:602,invalid,,,,,CCN(CC)c1ccc(cc1)C=O,
,,,3W9:A:602,invalid,,,,,CCN(CC)c1ccc(cc1)C=O,
,,,3W9:C:602,invalid,,,,,CCN(CC)c1ccc(cc1)C=O,
,,6O4F,,,,,,,
,,,UN1:B:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:E:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:F:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,4ZVY,,,,,,,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6O4E,,,,,,,
,,,PG4:D:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:B:603,invalid,,,,,[Mg+2],
,,,MG:H:603,invalid,,,,,[Mg+2],
,,,MG:C:603,invalid,,,,,[Mg+2],
,,,MG:D:603,invalid,,,,,[Mg+2],
,,,MG:F:603,invalid,,,,,[Mg+2],
,,,MG:G:603,invalid,,,,,[Mg+2],
,,,P6G:F:602,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,1PE:H:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,6O4I,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:F:603,invalid,,,,,C(CO)O,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:H:602,invalid,,,,,C(CO)O,
,,,EDO:H:603,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:F:604,invalid,,,,,C(CO)O,
,,,EDO:G:602,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:G:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,UN1:B:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:F:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:D:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:G:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:E:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:H:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:C:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:A:601,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,6O4H,,,,,,,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:F:601,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,6O4K,,,,,,,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:F:601,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,CL:C:602,invalid,,,,,[Cl-],
,,,CL:G:602,invalid,,,,,[Cl-],
,,,CL:H:602,invalid,,,,,[Cl-],
,,,CL:E:603,invalid,,,,,[Cl-],
,,,CL:E:602,invalid,,,,,[Cl-],
,,,CL:D:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6O4D,,,,,,,
,,,PG4:G:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:E:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:605,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:602,invalid,,,,,C(COCCOCCO)O,
,,,1PE:B:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,6PC:E:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:B:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:F:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:C:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:D:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:H:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:A:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,6PC:G:601,valid,,,,,c1ccnc(c1)C(=O)O,
,,,EDO:H:602,invalid,,,,,C(CO)O,
,,,PEG:B:602,invalid,,,,,C(COCCO)O,
,,,PEG:F:603,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2C43,,,,,,,
,,,CL:A:1318,invalid,,,,,[Cl-],
,,,COA:A:1316,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:1317,Part of Protein,,,,,[Mg+2],
2.1.1.221,,,,,,,,,
,Family. Representative Entry is ,4JWF,,,,,,,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,ACY:A:303,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,4JWJ,,,,,,,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TRS:A:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4JWH,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.12.1.-,,,,,,,,,
,Family. Representative Entry is ,6L8A,,,,,,,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BAL:C:504,valid,,,,,C(CN)C(=O)O,
,,,BAL:E:503,valid,,,,,C(CN)C(=O)O,
,,,BAL:D:507,valid,,,,,C(CN)C(=O)O,
6.3.5.4,,,,,,,,,
,Family. Representative Entry is ,1CT9,,,,,,,
,,,AMP:A:1100,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1114,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:1121,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1107,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:1105,invalid,,,,,[Cl-],
,,,CL:B:1112,invalid,,,,,[Cl-],
,,,CL:C:1119,invalid,,,,,[Cl-],
,,,CL:D:1126,invalid,,,,,[Cl-],
,,,GLN:A:1106,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:B:1113,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:C:1120,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:D:1127,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,IUM:A:1101,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1102,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1103,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1104,invalid,,,,,[O-][U+4][O-],
,,,IUM:B:1109,invalid,,,,,[O-][U+4][O-],
,,,IUM:B:1110,invalid,,,,,[O-][U+4][O-],
,,,IUM:B:1111,invalid,,,,,[O-][U+4][O-],
,,,IUM:C:1115,invalid,,,,,[O-][U+4][O-],
,,,IUM:C:1116,invalid,,,,,[O-][U+4][O-],
,,,IUM:C:1117,invalid,,,,,[O-][U+4][O-],
,,,IUM:C:1118,invalid,,,,,[O-][U+4][O-],
,,,IUM:D:1122,invalid,,,,,[O-][U+4][O-],
,,,IUM:D:1123,invalid,,,,,[O-][U+4][O-],
,,,IUM:D:1124,invalid,,,,,[O-][U+4][O-],
,,,IUM:D:1125,invalid,,,,,[O-][U+4][O-],
,,,IUM:B:1108,invalid,,,,,[O-][U+4][O-],
4.3.1.19,,,,,,,,,
,Family. Representative Entry is ,2GN2,,,,,,,
,,,C5P:A:400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
6.1.1.-,,,,,,,,,
,Family. Representative Entry is ,4A91,,,,,,,
,,,GLU:A:301,valid,Kd,=,2.1,mM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
2.6.1.51,,,,,,,,,
,Family. Representative Entry is ,3ZRR,,,,,,,
,,,CA:A:1384,Part of Protein,,,,,[Ca+2],
,,,CA:A:1385,Part of Protein,,,,,[Ca+2],
,,,CA:A:1386,Part of Protein,,,,,[Ca+2],
,,,CA:B:1384,Part of Protein,,,,,[Ca+2],
,,,PXG:A:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:B:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
6.1.1.13,,,,,,,,,
,Family. Representative Entry is ,3DHV,,,,,,,
,,,DAL AMP:A:701,valid,,,,,P(=O)(OC(=O)C([NH3+])C)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,3FCC,,,,,,,
,,,ATP:A:711,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:710,invalid,,,,,[Mg+2],
,,3FCE,,,,,,,
,,,ATP:A:711,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:710,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,3E7W,,,,,,,
,,,AMP:A:513,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO4:A:512,invalid,,,,,[O-]P(=O)([O-])[O-],
6.2.1.4,,,,,,,,,
,Family. Representative Entry is ,5CAE,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SIN:B:402,valid,Ki,=,50,mM,C(CC(=O)O)C(=O)O,
,,2FP4,,,,,,,
,,,GTP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,4XX0,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
1.11.2.2,,,,,,,,,
,Family. Representative Entry is ,6WY7,,,,,,,
,,,NAG NAG FUC BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:C:1,invalid,,,,,,
,,,UFD:E:610,valid,Kd,=,5,nM,c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N,
,,,UFD:B:612,valid,Kd,=,5,nM,c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)c4ccccc4)c5cc(nc6c5nn[nH]6)N,
,,,CA:B:610,Part of Protein,,,,,[Ca+2],
,,,CA:E:608,Part of Protein,,,,,[Ca+2],
,,,CL:B:611,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:E:609,invalid,,,,,[Cl-],
,,,HEC:B:601,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:D:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4C1M,,,,,,,
,,,ACT:C:1582,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1581,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1583,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1583,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1582,invalid,,,,,CC(=O)[O-],
,,,CA:D:1579,Part of Protein,,,,,[Ca+2],
,,,CA:C:1579,Part of Protein,,,,,[Ca+2],
,,,HEM:A:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:605,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:C:631,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:631,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:1581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NIH:A:606,valid,Kd,=,15.8,nM,c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO,
,,,NIH:B:606,valid,Kd,=,15.8,nM,c1c(cc(cc1C(F)(F)F)C(F)(F)F)CNC2=NC=C(C(=O)N2)C(=O)NO,
,,,CL:C:1580,invalid,,,,,[Cl-],
,,,CL:D:1580,invalid,,,,,[Cl-],
,,,NAG:C:1630,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2630,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1620,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2620,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG FUC BMA MAN MAN:F:1,invalid,,,,,,
,,5WDJ,,,,,,,
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:E:612,invalid,,,,,[Cl-],
,,,CL:B:607,invalid,,,,,[Cl-],
,,,NAG:E:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AEY:A:201,valid,ic50,=,0.084,uM,c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3,
,,,AEY:E:611,valid,ic50,=,0.084,uM,c1ccc(cc1)COc2c3c(nc(n2)N)nn[nH]3,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,MAN:B:606,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG FUC BMA MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN FUC:C:1,invalid,,,,,,
,,6WXZ,,,,,,,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,UEY:E:611,valid,ic50,=,141,nM,c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N,
,,,UEY:B:606,valid,ic50,=,141,nM,c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c3nn[nH]4)N,
,,,NAG:E:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CL:B:612,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:E:612,invalid,,,,,[Cl-],
,,,CL:D:201,invalid,,,,,[Cl-],
,,,HEC:E:610,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:605,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MAN:B:611,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:604,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,BMA NAG MAN:F:1,invalid,,,,,,
,,,BMA MAN:G:1,invalid,,,,,,
2.4.1.27,,,,,,,,,
,Family. Representative Entry is ,1J39,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,UPG:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1JG6,,,,,,,
,,,UDP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NZD,,,,,,,
,,,CL:A:352,invalid,,,,,[Cl-],
,,,CL:A:353,invalid,,,,,[Cl-],
,,,GOL:A:355,invalid,,,,,C(C(CO)O)O,
,,,UPG:A:354,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1QKJ,,,,,,,
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2BGU,,,,,,,
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1C3J,,,,,,,
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NZF,,,,,,,
,,,CL:A:352,invalid,,,,,[Cl-],
,,,CL:A:353,invalid,,,,,[Cl-],
,,,GOL:A:355,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:356,invalid,,,,,C(C(CO)O)O,
,,,UPG:A:354,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1JG7,,,,,,,
,,,MN:A:401,invalid,,,,,[Mn+2],
,,,UDP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1BGU,,,,,,,
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1NVK,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,MN:A:701,invalid,,,,,[Mn+2],
,,,UDP:A:700,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1JIX,,,,,,,
,,,CA:A:600,invalid,,,,,[Ca+2],
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1JIV,,,,,,,
,,,MG:A:354,Part of Protein,,,,,[Mg+2],
,,,MG:A:355,Part of Protein,,,,,[Mg+2],
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1JIU,,,,,,,
,,,MG:A:354,invalid,,,,,[Mg+2],
,,,UDP:A:353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
1.1.1.219,,,,,,,,,
,Family. Representative Entry is ,2C29,,,,,,,
,,,DQH:D:1331,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,DQH:F:1332,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,NAP:D:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1331,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3C1T,,,,,,,
,,,MYC:A:341,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:A:342,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:B:341,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:B:342,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:C:341,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:C:342,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:D:341,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MYC:D:342,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,NAP:A:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.1.1.107,,,,,,,,,
,Family. Representative Entry is ,3NUG,,,,,,,
,,,ACY:C:1,invalid,,,,,CC(=O)O,
,,,NAD:A:251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.1.1.25,,,,,,,,,
,Family. Representative Entry is ,1NPD,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1NYT,,,,,,,
,,,DTV:A:1405,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,NAP:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1411,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1421,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1431,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1422,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1O9B,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1P77,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ATR:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2HK9,,,,,,,
,,,ATR:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,NAP:B:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SKM:A:1102,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:B:1202,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:C:1302,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:D:1402,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,Family. Representative Entry is ,2EV9,,,,,,,
,,,NAP:A:1411,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SKM:A:301,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:B:302,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CY0,,,,,,,
,,,NAP:A:1411,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2D5C,,,,,,,
,,,SKM:A:301,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:B:302,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1NVT,,,,,,,
,,,NAP:A:288,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:289,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:290,Part of Protein,,,,,[Zn+2],
,,,ZN:B:291,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1VI2,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3DOO,,,,,,,
,,,SKM:A:300,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
3.2.2.31,,,,,,,,,
,Family. Representative Entry is ,1WEI,,,,,,,
,,,ADE:A:1428,valid,Kd,~,1,nM,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:A:1269,invalid,,,,,C(CO)O,
,,,EDO:A:1270,invalid,,,,,C(CO)O,
,,,EDO:A:1271,invalid,,,,,C(CO)O,
,,,SF4:A:300,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1MUD,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:A:302,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SF4:A:300,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
4.99.1.1,,,,,,,,,
,Family. Representative Entry is ,3HCN,,,,,,,
,,,BCT:A:1,invalid,,,,,C(=O)(O)[O-],
,,,CHD:A:3,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:4,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:2,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:924,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:424,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:926,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:925,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:A:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:927,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HCR,,,,,,,
,,,CHD:A:4,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:424,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:3,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:924,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,FDE:A:426,invalid,,,,,Cc1cc2n3c1C=C4C=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:925,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD FDE:B:1,invalid,,,,,,
,,,OXY:A:425,invalid,,,,,O=O,
,,,OXY:B:926,invalid,,,,,O=O,
,,,SO4:A:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QD3,,,,,,,
,,,CHD:A:501,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:504,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:505,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:924,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:925,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2QD1,,,,,,,
,,,CHD:D:801,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:D:802,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:1001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:1003,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:1004,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IMD:D:901,invalid,,,,,c1c[nH+]c[nH]1,
,,,PP9:A:701,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:B:702,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:C:705,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:D:703,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:D:704,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:D:706,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,1HRK,,,,,,,
,,,CHD:A:1501,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:1502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:1503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:2501,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:2502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:2503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:1499,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:2999,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,2QD4,,,,,,,
,,,CHD:A:801,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:802,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:803,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:926,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:927,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:928,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:A:706,invalid,,,,,[Cl-],
,,,CL:B:924,invalid,,,,,[Cl-],
,,,CL:B:925,invalid,,,,,[Cl-],
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,2QD2,,,,,,,
,,,BCT:A:1,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:2,invalid,,,,,C(=O)(O)[O-],
,,,CHD:A:2,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:426,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:4,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:424,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:424,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:425,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:425,invalid,,,,,c1c[nH+]c[nH]1,
,,3W1W,,,,,,,
,,,FES:A:1501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CHD:A:1502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:1504,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:506,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:504,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:1503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:1507,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SAL:A:1505,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,EDO:A:1506,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,2QD5,,,,,,,
,,,ACY:A:801,invalid,,,,,CC(=O)O,
,,,ACY:A:803,invalid,,,,,CC(=O)O,
,,,ACY:B:1106,invalid,,,,,CC(=O)O,
,,,CHD:A:701,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:702,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1104,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,OXY:B:1001,invalid,,,,,O=O,
,,,PB:A:1101,invalid,,,,,[Pb+2],
,,,PB:B:1102,invalid,,,,,[Pb+2],
,,,PP9:A:901,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:B:1105,invalid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,3HCP,,,,,,,
,,,CHD:A:2,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:3,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:4,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,IMD FDE:A:424,invalid,,,,,,
,,,IMD FDE:B:924,invalid,,,,,,
,,2HRE,,,,,,,
,,,CHD:B:701,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:D:702,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:503,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:504,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PP9:A:601,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:B:602,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:B:603,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:C:605,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:D:604,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,,PP9:D:606,valid,,,,,Cc1c2cc3/nc(cc/4c(c(/c(/[nH]4)c/c5n/c(cc(c1CCC(=O)O)[nH]2)/C(=C5C)CCC(=O)O)C=C)C)C(=C3C)C=C,
,,3HCO,,,,,,,
,,,BCT:A:425,invalid,,,,,C(=O)(O)[O-],
,,,CHD:A:3,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:4,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:924,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:426,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:926,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:424,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:B:925,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.1.19,,,,,,,,,
,Family. Representative Entry is ,1UKQ,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:B:689,Part of Protein,,,,,[Ca+2],
,,,CA:B:690,Part of Protein,,,,,[Ca+2],
,,,GLC BGC G6D ACI:A:701,valid,ic50,=,0.33,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)C2)C(C)O1,
,,,GLC GLC G6D ACI:B:705,valid,ic50,=,0.33,uM,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1I75,,,,,,,
,,,CA:A:1687,Part of Protein,,,,,[Ca+2],
,,,CA:A:1688,Part of Protein,,,,,[Ca+2],
,,,CA:B:1689,Part of Protein,,,,,[Ca+2],
,,,CA:B:1690,Part of Protein,,,,,[Ca+2],
,,,NOJ:A:2691,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:A:2692,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:2693,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:2694,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,1V3M,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:B:689,Part of Protein,,,,,[Ca+2],
,,,CA:B:690,Part of Protein,,,,,[Ca+2],
,,,GAL:A:731,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:811,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:831,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:711,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:721,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL GLD ACI:A:701,valid,,,,,,
,,,GLC GAL GLD ACI:B:801,valid,,,,,,
,,1V3L,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:B:689,Part of Protein,,,,,[Ca+2],
,,,CA:B:690,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLD ACI:B:801,valid,,,,,,
,,,GLC GAL GLD ACI:A:701,valid,,,,,,
,,1UKT,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:B:689,Part of Protein,,,,,[Ca+2],
,,,CA:B:690,Part of Protein,,,,,[Ca+2],
,,,GAL GLC GLD ACI:C:1,valid,ic50,>,5600,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)C3)C(C)O2)C(CO)O1,
,,,GAL GLC GLD ACI:D:1,valid,ic50,>,5600,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)C3)C(C)O2)C(CO)O1,
,,1DED,,,,,,,
,,,CA:A:5001,Part of Protein,,,,,[Ca+2],
,,,CA:A:5003,Part of Protein,,,,,[Ca+2],
,,,CA:B:5002,Part of Protein,,,,,[Ca+2],
,,,CA:B:5004,Part of Protein,,,,,[Ca+2],
,,,BGC GLC AC1:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,BGC GLC AC1:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,BGC GLC AC1:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,1UKS,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:B:689,Part of Protein,,,,,[Ca+2],
,,,CA:B:690,Part of Protein,,,,,[Ca+2],
,,,GLC GAL GLD ACI:A:701,valid,ic50,=,3300,uM,,
,,,GLC GAL GLD ACI:B:705,valid,ic50,=,3300,uM,,
,Family. Representative Entry is ,2CXG,,,,,,,
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,GLC G6D ACI GLC:C:1,valid,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1CXH,,,,,,,
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1CGV,,,,,,,
,,,CA:A:691,Part of Protein,,,,,[Ca+2],
,,,CA:A:692,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1EO5,,,,,,,
,,,BGC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,,
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,MPD:A:713,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1DTU,,,,,,,
,,,BGC GLC GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC G6D ADH GLC GLC:D:1,valid,,,,,O(C1C(CO)=CC([NH3+])C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1.O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)CC(C)O1,
,,1OT1,,,,,,,
,,,ACY:A:1704,invalid,,,,,CC(=O)O,
,,,ACY:A:1705,invalid,,,,,CC(=O)O,
,,,ACY:A:1708,invalid,,,,,CC(=O)O,
,,,ACY:A:1710,invalid,,,,,CC(=O)O,
,,,BGC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,,
,,,CA:A:1692,Part of Protein,,,,,[Ca+2],
,,,CA:A:1693,Part of Protein,,,,,[Ca+2],
,,,CA:A:1694,Part of Protein,,,,,[Ca+2],
,,,EPE:A:1711,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MPD:A:1701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1KCL,,,,,,,
,,,BGC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1691,Part of Protein,,,,,[Ca+2],
,,,CA:A:1692,Part of Protein,,,,,[Ca+2],
,,,GLC:A:1700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC BGC:B:1,valid,,,,,,
,,,MPD:A:1701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1CXI,,,,,,,
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,CA:A:691,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1D3C,,,,,,,
,,,CA:A:687,Part of Protein,,,,,[Ca+2],
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,MPD:A:716,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1CGY,,,,,,,
,,,CA:A:691,Part of Protein,,,,,[Ca+2],
,,,CA:A:692,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1PJ9,,,,,,,
,,,ACY:A:805,invalid,,,,,CC(=O)O,
,,,ACY:A:806,invalid,,,,,CC(=O)O,
,,,ACY:A:810,invalid,,,,,CC(=O)O,
,,,CA:A:890,Part of Protein,,,,,[Ca+2],
,,,CA:A:891,Part of Protein,,,,,[Ca+2],
,,,CA:A:892,Part of Protein,,,,,[Ca+2],
,,,GLC:A:800,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:E:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1EO7,,,,,,,
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1CXK,,,,,,,
,,,CA:A:688,Part of Protein,,,,,[Ca+2],
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,1CXE,,,,,,,
,,,CA:A:689,Part of Protein,,,,,[Ca+2],
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1KCK,,,,,,,
,,,BGC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:690,Part of Protein,,,,,[Ca+2],
,,,CA:A:691,Part of Protein,,,,,[Ca+2],
,,,GLC G6D ADH GLC:B:1,valid,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1OT2,,,,,,,
,,,ACY:A:1704,invalid,,,,,CC(=O)O,
,,,ACY:A:1705,invalid,,,,,CC(=O)O,
,,,ACY:A:1710,invalid,,,,,CC(=O)O,
,,,BGC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,,
,,,CA:A:1692,Part of Protein,,,,,[Ca+2],
,,,CA:A:1701,Part of Protein,,,,,[Ca+2],
,,,CA:A:1702,Part of Protein,,,,,[Ca+2],
,,,EPE:A:1711,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC:A:1700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MPD:A:1703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1712,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1713,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1PEZ,,,,,,,
,,,ACY:A:902,invalid,,,,,CC(=O)O,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,ACY:A:905,invalid,,,,,CC(=O)O,
,,,ACY:A:906,invalid,,,,,CC(=O)O,
,,,ACY:A:907,invalid,,,,,CC(=O)O,
,,,ACY:A:908,invalid,,,,,CC(=O)O,
,,,ACY:A:909,invalid,,,,,CC(=O)O,
,,,ACY:A:910,invalid,,,,,CC(=O)O,
,,,BGC GLC:B:1,valid,,,,,,
,,,CA:A:890,Part of Protein,,,,,[Ca+2],
,,,CA:A:891,Part of Protein,,,,,[Ca+2],
,,,CA:A:892,Part of Protein,,,,,[Ca+2],
,,,EPE:A:911,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1CDG,,,,,,,
,,,CA:A:691,Part of Protein,,,,,[Ca+2],
,,,CA:A:692,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3BMW,,,,,,,
,,,CA:A:698,Part of Protein,,,,,[Ca+2],
,,,CA:A:699,Part of Protein,,,,,[Ca+2],
,,,CL:A:700,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC G6D ACI GLC GLC:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5CO)OC4CO)OC3C)CC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,8CGT,,,,,,,
,,,CA:A:685,Part of Protein,,,,,[Ca+2],
,,,CA:A:686,Part of Protein,,,,,[Ca+2],
,,,4SG GLC 4SG GLC 4SG GLC:B:1,valid,,,,,,
,,5CGT,,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,,,BGC GLC:B:1,invalid,,,,,,
,,,CA:A:685,Part of Protein,,,,,[Ca+2],
,,,CA:A:686,Part of Protein,,,,,[Ca+2],
,,,GLC:A:711,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,9CGT,,,,,,,
,,,CA:A:685,Part of Protein,,,,,[Ca+2],
,,,CA:A:686,Part of Protein,,,,,[Ca+2],
,,,Z9E 4SG GLC 4SG GLC:B:1,valid,,,,,,
,,1CGU,,,,,,,
,,,CA:A:685,Part of Protein,,,,,[Ca+2],
,,,CA:A:686,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3CGT,,,,,,,
,,,CA:A:685,Part of Protein,,,,,[Ca+2],
,,,CA:A:686,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
2.3.1.7,,,,,,,,,
,Family. Representative Entry is ,1T7Q,,,,,,,
,,,152:A:1201,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:B:1301,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,COA:A:1202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:B:1303,invalid,,,,,C(CO)O,
,,1T7O,,,,,,,
,,,152:A:5001,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,1NDI,,,,,,,
,,,COA:A:5170,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:6170,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2H3U,,,,,,,
,,,152:A:1801,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:B:1901,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,COA:A:1802,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1902,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2H3W,,,,,,,
,,,COA:A:1601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,HC5:A:1602,valid,,,,,CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,
,,,HC5:B:1702,valid,,,,,CCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,
,,1NDF,,,,,,,
,,,152:A:5001,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:B:6001,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,2H3P,,,,,,,
,,,152:A:1501,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,152:B:1601,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,ACO:B:1602,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:1502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1S5O,,,,,,,
,,,152:A:617,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
2.1.1.148,,,,,,,,,
,Family. Representative Entry is ,5IOR,,,,,,,
,,,DUS:A:302,valid,Kd,=,0.17,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COS(=O)(=O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,RBF:A:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,3G4A,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:310,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:308,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:313,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4KAT,,,,,,,
,,,DU:D:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:C:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,FDA:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1O2B,,,,,,,
,,,FAD:A:615,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:610,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:618,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4GTL,,,,,,,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5IOT,,,,,,,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:302,valid,Kd,=,109,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:302,valid,Kd,=,109,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:302,valid,Kd,=,109,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:302,valid,Kd,=,109,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5IOQ,,,,,,,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DUR:B:303,valid,Kd,=,78,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:D:302,valid,Kd,=,78,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:302,valid,Kd,=,78,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:C:302,valid,Kd,=,78,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,PGE:B:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:306,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:304,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:304,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:304,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:305,invalid,,,,,C(COCCOCCO)O,
,,4GTA,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FFO:A:303,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,UMP:A:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1O2A,,,,,,,
,,,FAD:A:715,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:710,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:705,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4KAR,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2PE:D:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,1O29,,,,,,,
,,,FAD:A:815,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:810,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UFP:A:803,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:B:808,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:C:813,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:D:818,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,4GTB,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,D16:A:303,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4GTF,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MEF:A:303,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N,
,,,UMP:A:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,3N0C,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:310,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:308,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:313,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4GTD,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1O27,,,,,,,
,,,BRU:A:603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:B:608,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:C:613,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:D:618,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,FAD:A:615,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:610,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4GT9,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MEF:A:303,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N,
,,,MEF:A:304,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,UMP:A:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4GTC,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3G4C,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:310,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:308,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:313,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1O26,,,,,,,
,,,FAD:A:615,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:610,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:A:635,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:625,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:630,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:620,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:640,invalid,,,,,C(COCCOCCO)O,
,,,UMP:A:603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:608,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:613,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:618,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,3N0B,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:310,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:308,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:313,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:318,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5IOS,,,,,,,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UMP:A:302,valid,Kd,=,14,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:303,valid,Kd,=,14,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:302,valid,Kd,=,14,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:302,valid,Kd,=,14,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4KAS,,,,,,,
,,,DU:C:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,2PE:D:303,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,1O28,,,,,,,
,,,EPE:A:715,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:710,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:705,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:700,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:B:720,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:725,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:730,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:735,invalid,,,,,C(COCCOCCO)O,
,,,UFP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:B:708,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:C:713,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,,UFP:D:718,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O,
,,4GTE,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MEF:B:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N,
,,,MEF:D:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N,
,,1O25,,,,,,,
,,,UMP:A:603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:608,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:613,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:618,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2AF6,,,,,,,
,,,BRU:A:4603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:B:3603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:C:2603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:D:1603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:E:8603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:F:7603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:G:6603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,BRU:H:5603,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O,
,,,FAD:A:4600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:8600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:7600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:6600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:5600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2013,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2012,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:2011,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2014,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:2006,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:3001,invalid,,,,,[I-],
,,,IOD:A:3008,invalid,,,,,[I-],
,,,IOD:C:3009,invalid,,,,,[I-],
,,,IOD:D:3002,invalid,,,,,[I-],
,,,IOD:D:3004,invalid,,,,,[I-],
,,,IOD:E:3006,invalid,,,,,[I-],
,,,IOD:E:3007,invalid,,,,,[I-],
,,,IOD:F:3005,invalid,,,,,[I-],
,,,IOD:F:3010,invalid,,,,,[I-],
,,,IOD:G:3003,invalid,,,,,[I-],
,Family. Representative Entry is ,2GQ2,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:408,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:510,invalid,,,,,[I-],
,,,IOD:C:506,invalid,,,,,[I-],
,,,IOD:C:509,invalid,,,,,[I-],
,,,IOD:C:511,invalid,,,,,[I-],
,,,IOD:C:513,invalid,,,,,[I-],
,,,IOD:D:503,invalid,,,,,[I-],
,,,IOD:D:505,invalid,,,,,[I-],
,,,IOD:D:507,invalid,,,,,[I-],
,,,IOD:D:512,invalid,,,,,[I-],
,,,IOD:D:514,invalid,,,,,[I-],
,,,K:A:603,invalid,,,,,[K+],
,,,K:B:604,invalid,,,,,[K+],
,,,K:C:601,invalid,,,,,[K+],
,,,K:D:602,invalid,,,,,[K+],
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PGE:A:701,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,2CFA,,,,,,,
,,,CME:A:48,invalid,,,,,C(CSSC[C@@H](C(=O)O)N)O,
,,,CME:B:48,invalid,,,,,C(CSSC[C@@H](C(=O)O)N)O,
,,,FAD:A:1219,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1217,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1KQ4,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:310,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6J61,,,,,,,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
3.1.27.4,,,,,,,,,
,Family. Representative Entry is ,3AHW,,,,,,,
,,,2AM:A:121,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CA:A:122,Part of Protein,,,,,[Ca+2],
,,,CA:A:123,Part of Protein,,,,,[Ca+2],
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,3AGO,,,,,,,
,,,3AM:A:115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,,CA:A:116,Part of Protein,,,,,[Ca+2],
,,,CA:A:117,Part of Protein,,,,,[Ca+2],
,,,CL:A:118,invalid,,,,,[Cl-],
,,3AGN,,,,,,,
,,,3AM:A:115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,,CA:A:116,Part of Protein,,,,,[Ca+2],
3.2.1.71,,,,,,,,,
,Family. Representative Entry is ,6IMV,,,,,,,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:B:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BGC:B:605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC BGC:D:1,valid,,,,,,
,,,GLC BGC:E:1,valid,,,,,,
,,6IMW,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:B:606,invalid,,,,,C(COCCO)O,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,,BGC BGC BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
1.7.-.-,,,,,,,,,
,Family. Representative Entry is ,6QU0,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4C0X,,,,,,,
,,,PG4:A:1206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1205,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,AQN:A:1202,valid,,,,,c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O,
,,,FMN:A:1201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4C0W,,,,,,,
,,,12P:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:1203,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FMN:A:1201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4C14,,,,,,,
,,,FD5:A:1201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)N(C(=O)C3=N2)OCCS(c4ccc(cc4)NNc5c(cc6cc(c(c(c6c5N)O)NNc7ccc(cc7)S(C)(O)O)S(O)(O)O)S(O)(O)O)(O)O)CC(C(C(COP(=O)(O)O)O)O)O,
,,,12P:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,3GFS,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:K:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:L:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3GFR,,,,,,,
,,,FMN:A:175,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:175,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:175,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:175,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1NNI,,,,,,,
,,,FMN:1:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6JXS,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PE8:D:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,6JXN,,,,,,,
,,,NHE:B:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:D:302,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:302,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,PE8:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:C:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4N65,,,,,,,
,,,AQN:A:302,valid,,,,,c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,3KEG,,,,,,,
,,,FMN:A:213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:216,invalid,,,,,C(C(CO)O)O,
,,,MRE:A:214,valid,,,,,CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O,
,,,MRE:A:215,valid,,,,,CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O,
,,3LT5,,,,,,,
,,,BLQ:A:215,valid,,,,,c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2C=CC(=O)C(=C2)C(=O)O,
,,,BLQ:A:216,valid,,,,,c1cc(ccc1C(=O)NCCC(=O)O)N/N=C/2C=CC(=O)C(=C2)C(=O)O,
,,,FMN:A:213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:215,invalid,,,,,C(C(CO)O)O,
,,4N9Q,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,UQ1:A:302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,2V9C,,,,,,,
,,,FMN:A:1213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,MRE:A:1214,valid,,,,,CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O,
,,,MRE:B:1214,valid,,,,,CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)O,
,,3R6W,,,,,,,
,,,FMN:A:1213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1213,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:216,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:217,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:218,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:219,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:220,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:214,invalid,,,,,C(C(CO)O)O,
,,,NFZ:A:213,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,,NFZ:A:214,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.2.12,,,,,,,,,
,Family. Representative Entry is ,3A2Q,,,,,,,
,,,ACA ACA:A:601,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
2.1.1.217,,,,,,,,,
,Family. Representative Entry is ,6QE6,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
5.5.1.-,,,,,,,,,
,Family. Representative Entry is ,3P13,,,,,,,
,,,RIP:A:201,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:B:201,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:C:201,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:D:201,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3DG6,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MUC:A:1001,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,3DG7,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2004,Part of Protein,,,,,[Mg+2],
,,,MUC:A:1001,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,,MUC:B:1002,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,,MUC:C:1003,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,,MUC:D:1004,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
3.4.23.46,,,,,,,,,
,Family. Representative Entry is ,4GID,,,,,,,
,,,0GH:A:501,valid,Ki,=,0.017,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C,
,,,0GH:B:501,valid,Ki,=,0.017,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C,
,,,0GH:C:501,valid,Ki,=,0.017,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C,
,,,0GH:D:501,valid,Ki,=,0.017,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)CN[C@@H]([C@@H](C)O)C(=O)NCC(C)C,
,,,LPD:A:502,invalid,,,,,C1C[C@H](NC1)C(=O)N,
,,,LPD:B:502,invalid,,,,,C1C[C@H](NC1)C(=O)N,
,,,LPD:C:502,invalid,,,,,C1C[C@H](NC1)C(=O)N,
,,,LPD:D:502,invalid,,,,,C1C[C@H](NC1)C(=O)N,
,,2HM1,,,,,,,
,,,LIQ:A:801,valid,ic50,=,2,nM,CCCCCS(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNCc2cccc(c2)CC)O)NC(=O)c3cccnc3,
,,2B8L,,,,,,,
,,,5HA:A:386,valid,ic50,=,15,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O,
,,6PZ4,,,,,,,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,P6J:A:506,valid,ic50,=,0.4,nM,C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)COC)c3cc(cc(c3F)F)NC(=O)c4cnc(cn4)OCC#C,
,,4LXK,,,,,,,
,,,1YT:B:502,valid,ic50,=,0.004,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F,
,,,1YT:C:501,valid,ic50,=,0.004,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F,
,,,1YT:A:501,valid,ic50,=,0.004,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)O[C@H](COC)C(F)(F)F,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,4JPE,,,,,,,
,,,1M7:A:502,valid,ic50,=,48,nM,CC1(Cc2ccc(cc2[C@]3(C1)C(=O)N(C(=N3)N)C)c4cncnc4)C,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,6BFW,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DK7:A:401,valid,ic50,=,0.22,uM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O,
,,,DK7:B:401,valid,ic50,=,0.22,uM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2CO[C@H](CN2)OCC3CCCCC3)O,
,,4RCE,,,,,,,
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,3LN:A:501,valid,ic50,=,2,nM,CC(C)(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5,
,,5YGX,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,0B5:A:509,valid,ic50,=,8.74,nM,C[C@]1([C@H]([C@H](OC(=N1)N)C(C)(F)F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,3L5E,,,,,,,
,,,BDW:A:1,valid,ic50,=,27,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5,
,,,BDW:B:455,valid,ic50,=,27,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CN3C[C@@H](NC3=O)CCC)(CCC4CCCCC4)CC5CCCCC5,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:1,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,4BFD,,,,,,,
,,,8T3:A:1447,valid,ic50,=,0.096,uM,C[C@]1(C[C@@H]2C[C@@H]2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)Cl,
,,,NA:A:1449,Part of Protein,,,,,[Na+],
,,,NA:A:1448,Part of Protein,,,,,[Na+],
,,,DMS:A:1450,invalid,,,,,CS(=O)C,
,,4D89,,,,,,,
,,,BXD:A:501,valid,ic50,=,0.002,uM,CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C,
,,2IQG,,,,,,,
,,,F2I:A:801,valid,ic50,=,5,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)I)O)C,
,,3HW1,,,,,,,
,,,EV2:A:393,valid,ic50,=,0.87,mM,c1ccc2c(c1)nc(c(n2)N3CCCC3)N,
,,,EV2:B:393,valid,ic50,=,0.87,mM,c1ccc2c(c1)nc(c(n2)N3CCCC3)N,
,,,EV2:C:393,valid,ic50,=,0.87,mM,c1ccc2c(c1)nc(c(n2)N3CCCC3)N,
,,,GOL:C:394,invalid,,,,,C(C(CO)O)O,
,,4JOO,,,,,,,
,,,1M4:A:503,valid,ic50,=,36830,nM,CC1(C[C@@]2(c3cc(ccc3O1)Br)C(=O)N(C(=N2)N)C)C,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:502,Part of Protein,,,,,[Ni+2],
,,5QCZ,,,,,,,
,,,E5V:B:401,valid,,,,,COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O,
,,,E5V:C:401,valid,,,,,COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O,
,,,E5V:A:401,valid,,,,,COCc1cc2cc(c1)NCCCCOc3cccc(c3)C[C@H](NC2=O)[C@@H]([C@H]4CO[C@H](CN4)COC)O,
,,2ZHR,,,,,,,
,,,GLU VAL ASN 1OL ALA GLU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)C)C)CCC(=O)[O-])Cc1ccccc1,
,,,GLU VAL ASN 1OL ALA GLU PHE:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)C)C)CCC(=O)[O-])Cc1ccccc1,
,,2WF1,,,,,,,
,,,ZY1:A:2000,valid,ic50,=,0.002,uM,CCc1cn2c3c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O,
,,3NSH,,,,,,,
,,,957:A:407,valid,ic50,=,470,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O,
,,,957:B:407,valid,ic50,=,470,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O,
,,,957:C:407,valid,ic50,=,470,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CC2)c3cc(cs3)CC(C)(C)C)O,
,,5QD5,,,,,,,
,,,E6P:B:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,,E6P:C:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,,E6P:A:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(n2)Cl)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,5HU1,,,,,,,
,,,66F:A:501,valid,Ki,=,2.2,nM,C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F,
,,,66F:B:501,valid,Ki,=,2.2,nM,C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F,
,,4HZT,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,0ZA:A:504,valid,ic50,=,0.75,uM,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)ON4)Cl)C,
,,5QCP,,,,,,,
,,,E4G:A:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O,
,,,E4G:C:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O,
,,,E4G:B:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)OCC(=O)C)C(=O)N2)O,
,,6JSE,,,,,,,
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,C6R:A:508,valid,ic50,=,1.7,nM,C[C@]1([C@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF,
,,4B78,,,,,,,
,,,KGG:A:1385,valid,ic50,=,3.2,uM,COc1ccc(cc1)[C@]2(C[C@H](C(=N2)N)OC)c3cccc(c3)c4cccnc4,
,,5HDU,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,60W:B:502,valid,Ki,=,1,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N,
,,,60W:A:502,valid,Ki,=,1,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(c(n3)OC)F)c4cc(cs4)c5cccc(c5)C#N,
,,2P83,,,,,,,
,,,MR0:A:801,valid,ic50,=,11,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N,
,,,MR0:B:802,valid,ic50,=,11,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N,
,,,MR0:C:803,valid,ic50,=,11,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C(=O)N,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6UVV,,,,,,,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,QJV:A:401,valid,ic50,=,6.64,uM,CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N,
,,,QJV:B:401,valid,ic50,=,6.64,uM,CCCCNC(=O)[C@@H]1C[C@H]1[C@]23COC[C@H]2CSC(=N3)N,
,,4B1C,,,,,,,
,,,1B1:A:1504,valid,ic50,=,0.079,uM,CC#Cc1cc(cnc1)c2cccc(c2)[C@@]3(N=C(C(=N3)N)C)C4CC4,
,,,DMS:A:1503,invalid,,,,,CS(=O)C,
,,2OAH,,,,,,,
,,,QIN:A:902,valid,ic50,=,11,nM,CCCC[C@@H]([C@H](Cc1ccsc1)NC(=O)c2cc(nc(c2)N(C)S(=O)(=O)C)NC[C@H]3C[C@@H]3C)N,
,,5QCS,,,,,,,
,,,AXF:C:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,,AXF:B:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,,AXF:A:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,2B8V,,,,,,,
,,,3BN:A:1001,valid,ic50,=,98,nM,CN(c1cc(cc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CNC3CC3)O)C(=O)c4ccccc4)S(=O)(=O)C,
,,5I3X,,,,,,,
,,,68J:A:401,valid,Kd,=,8,nM,CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3C#CCC4(CC4)NC(=O)c5ccc(cc5)F,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,3FKT,,,,,,,
,,,SII:A:406,valid,ic50,=,2.8,uM,CC(=O)Nc1ccc(cc1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5,
,,3L5D,,,,,,,
,,,BDV:A:1,valid,ic50,~,78000,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C,
,,,BDV:B:455,valid,ic50,~,78000,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:1,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,2ZE1,,,,,,,
,,,411:A:1,valid,ic50,=,0.6,uM,[H]/N=C(N)/NC(=O)Cn1c(ccc1c2ccc(cc2)NC(=O)c3cccc(c3)Br)c4ccccc4,
,,3K5G,,,,,,,
,,,BJC:A:387,valid,ic50,=,0.0025,uM,CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O,
,,,BJC:B:387,valid,ic50,=,0.0025,uM,CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O,
,,,BJC:C:387,valid,ic50,=,0.0025,uM,CC(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCCC4=O)O,
,,4DH6,,,,,,,
,,,0KN:A:411,valid,ic50,=,16.8,nM,C[C@H](C(=O)N[C@@H](Cc1ccc2c(c1)OCO2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,3KMX,,,,,,,
,,,G00:A:501,valid,Kd,=,15,uM,[H]/N=C(/N)SCc1ccc(c(c1)Cl)OCCCC,
,,,G00:B:501,valid,Kd,=,15,uM,[H]/N=C(/N)SCc1ccc(c(c1)Cl)OCCCC,
,,2QK5,,,,,,,
,,,CS5:A:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C,
,,,CS5:B:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C,
,,3UFL,,,,,,,
,,,508:A:449,valid,ic50,=,0.15,uM,c1ccc(cc1)[C@@H]2CCN([C@@H](C2)c3ccccc3)C(=O)[C@@H]4CNC[C@]45CCCc6c5cccc6,
,,,GOL:A:454,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:455,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:450,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I12,,,,,,,
,,,1BC:A:501,valid,ic50,=,40,uM,CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C3=NC(=O)CC=N3)/N=C4/c5ccc(cc5CC(N4)(C)C)Cl,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,NA:A:506,invalid,,,,,[Na+],
,,,NA:A:505,invalid,,,,,[Na+],
,,6UVY,,,,,,,
,,,QJP:A:401,valid,ic50,=,0.99,uM,C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,QJP:B:401,valid,ic50,=,0.99,uM,C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YM2,,,,,,,
,,,ACE LEU MET 24O VAL LYT:X:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C)CC(C)C)C(=O)NC(C(O)C1C(C(=O)NC(C(=O)NCCCC)C(C)C)CC(=O)C1)CC(C)C)C,
,,,ACE LEU MET 24O VAL LYT:Y:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C)CC(C)C)C(=O)NC(C(O)C1C(C(=O)NC(C(=O)NCCCC)C(C)C)CC(=O)C1)CC(C)C)C,
,,,ACE LEU MET 24O VAL LYT:Z:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C)CC(C)C)C(=O)NC(C(O)C1C(C(=O)NC(C(=O)NCCCC)C(C)C)CC(=O)C1)CC(C)C)C,
,,4J1C,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1HO:A:504,valid,ic50,=,0.049,uM,c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C(COC(=N3)N)(F)F)CF)F,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,4N00,,,,,,,
,,,2EX:A:502,valid,ic50,=,9.5,nM,CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2COCC4)c5cccnc5F)N=C1N,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,4I0D,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,1B7:A:504,valid,ic50,=,0.61,uM,CCCc1cscc1C[C@@H](C(=O)O)NC2=NC(Cc3c2ccc(c3)Cl)(C)C,
,,5QCX,,,,,,,
,,,E5D:B:401,valid,,,,,CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C,
,,,E5D:A:401,valid,,,,,CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C,
,,,E5D:C:401,valid,,,,,CCN1CCCCC[C@H](C[C@H](NC(=O)c2cccc(c2)C1=O)[C@@H](CNCc3cccc(c3)C(C)C)O)C,
,,4DJX,,,,,,,
,,,0KQ:A:501,valid,Ki,=,59,nM,[H]/N=C/1N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4,
,,,0KQ:B:501,valid,Ki,=,59,nM,[H]/N=C/1N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4H1E,,,,,,,
,,,10J:A:501,valid,Ki,=,3,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N,
,,,10J:B:501,valid,Ki,=,3,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)C(=O)c3ccccc3)c4cc(cs4)c5cccc(c5)C#N,
,,2VNN,,,,,,,
,,,CM7:A:2000,valid,ic50,=,2,nM,CCc1cn2c3c1cc(cc3[N@@](S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O,
,,4RRN,,,,,,,
,,,3UW:A:502,valid,ic50,=,48,nM,CN1C(=O)[C@@]2(c3cc(ccc3O[C@@H]4[C@@H]2OCCC4)c5cccnc5F)N=C1N,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,4PZX,,,,,,,
,,,2X5:A:502,valid,ic50,=,1,uM,c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@H]5CCOC[C@@H]5O2,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,4RRS,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,3UY:A:502,valid,ic50,=,210,nM,C[C@@]12CCCO[C@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F,
,,6WNY,,,,,,,
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,U64:A:501,valid,ic50,=,0.0015,uM,C[C@]1([C@@H]2C[C@@]2(SC(=N1)N)C(=O)N3CCOCC3)c4cc(ccc4F)/C=C(/c5ccc(cn5)C#N)F,
,,2WEZ,,,,,,,
,,,ZYE:A:2000,valid,ic50,=,0.023,uM,CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O,
,,4ZSR,,,,,,,
,,,4RY:A:401,valid,ic50,=,36.1,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N,
,,,4RY:B:401,valid,ic50,=,36.1,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@@]3(C2)CSC(=N4)N,
,,2OHU,,,,,,,
,,,DMS:A:389,invalid,,,,,CS(=O)C,
,,,IOD:A:386,invalid,,,,,[I-],
,,,IOD:A:387,invalid,,,,,[I-],
,,,IOD:A:388,invalid,,,,,[I-],
,,,IP7:A:390,valid,ic50,=,4.2,uM,c1ccnc(c1)COc2ccc(cc2CNc3cccnc3N)c4ccc5cc[nH]c5c4,
,,4JP9,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:502,Part of Protein,,,,,[Ni+2],
,,,1M5:A:503,valid,ic50,=,24,nM,CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)Cl)C(=O)N(C(=N2)N)C)C,
,,3I25,,,,,,,
,,,MV7:A:531,valid,Ki,=,3.1,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O,
,,,MV7:B:531,valid,Ki,=,3.1,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O,
,,,MV7:C:531,valid,Ki,=,3.1,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](COc3cc(cc(c3)F)F)[C@H](C[C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc4ccccc4)OCCOC)O,
,,4WTU,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,3UT:A:407,valid,ic50,=,0.3,nM,c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(nc(c5O3)F)C6=CCCOC6,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,4XXS,,,,,,,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,SI5:A:401,valid,ic50,=,52,nM,Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N,
,,3LPJ,,,,,,,
,,,TLA:A:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,Z75:A:456,valid,ic50,=,120,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C,
,,,Z75:B:456,valid,ic50,=,120,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccccc4)O)C,
,,2F3E,,,,,,,
,,,AXQ:A:601,valid,ic50,=,156,nM,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,,AXQ:B:602,valid,ic50,=,156,nM,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,,AXQ:C:603,valid,ic50,=,156,nM,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,2VJ9,,,,,,,
,,,VG7:A:1452,valid,ic50,=,180,nM,CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CCCCC4)O,
,,4DPF,,,,,,,
,,,0LG:A:500,valid,ic50,=,400,nM,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2COC/C=C/C[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N2)c4ccccc4)O,
,,6UWV,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,QK7:A:401,valid,ic50,=,0.01,uM,C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5,
,,,QK7:B:401,valid,ic50,=,0.01,uM,C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DJY,,,,,,,
,,,0KR:A:501,valid,Ki,=,5.4,nM,[H]/N=C/1N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4,
,,,0KR:B:501,valid,Ki,=,5.4,nM,[H]/N=C/1N[C@@](C(=O)N1C)(c2cccc(c2)c3cc(cnc3)C#CC)C4CC4,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2OHR,,,,,,,
,,,8IP:A:504,valid,ic50,=,100,uM,c1cc(cc(c1)c2cccnc2)CNc3cccnc3N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,6BFE,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,DJV:A:401,valid,ic50,=,1.4,uM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O,
,,,DJV:B:401,valid,ic50,=,1.4,uM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H]([C@H]2C[C@H](CN2)OCC3CCCCC3)O,
,,4D88,,,,,,,
,,,BXQ:A:401,valid,ic50,=,0.049,uM,CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)C[C@@H](C(F)(F)F)O,
,,6NV9,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L3M:A:401,valid,Ki,=,7,nM,CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O,
,,,L3M:C:401,valid,Ki,=,7,nM,CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O,
,,,L3M:B:401,valid,Ki,=,7,nM,CCC[C@@H]([C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1)O,
,,5KR8,,,,,,,
,,,IOD:A:501,invalid,,,,,[I-],
,,,6WE:A:502,valid,ic50,=,150,nM,Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3ccc(cc3F)F,
,,5HE7,,,,,,,
,,,60X:A:501,valid,Ki,=,5,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F,
,,,60X:B:501,valid,Ki,=,5,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(cc4F)F,
,,2WF2,,,,,,,
,,,ZY2:A:2000,valid,ic50,=,0.026,uM,CCN1CCN2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C,
,,2VKM,,,,,,,
,,,BSD:A:1386,valid,Ki,=,1.8,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,,BSD:B:1386,valid,Ki,=,1.8,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,,BSD:C:1386,valid,Ki,=,1.8,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,,BSD:D:1386,valid,Ki,=,1.8,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,4EWO,,,,,,,
,,,996:A:501,valid,ic50,=,44,nM,CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Cc3c2cn(n3)CC(C)(C)C)(C)C)O,
,,4WY6,,,,,,,
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,3VP:A:401,valid,ic50,=,1.07,uM,c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)CF,
,,4J0V,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1H7:A:504,valid,ic50,=,0.028,uM,C[C@]1([C@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,3L3A,,,,,,,
,,,625:A:1,valid,ic50,=,0.42,uM,c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)OCCCC#N)Cl,
,,6JT3,,,,,,,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,C83:A:505,valid,ic50,=,5,nM,C[C@@H]1[C@@H]([C@@](N=C(S1)N)(C)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF)F,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,3IXJ,,,,,,,
,,,586:A:500,valid,ic50,=,0.32,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC,
,,,586:B:500,valid,ic50,=,0.32,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC,
,,,586:C:500,valid,ic50,=,0.32,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@@H](C[C@@H]([C@H](COc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O)OC,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HDV,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,60V:B:502,valid,Ki,=,15,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N,
,,,60V:A:501,valid,Ki,=,15,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4ccc(s4)C#N,
,,3L38,,,,,,,
,,,879:A:1,valid,ic50,=,0.1,uM,c1ccc(c(c1)c2ccc(n2Cc3cccc(n3)N)c4ccc(cc4)Oc5cncnc5)Cl,
,,5T1U,,,,,,,
,,,P6U:A:401,valid,ic50,=,0.069,uM,C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)CNC3(CC3)C(F)(F)F,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,4YBI,,,,,,,
,,,4B2:B:401,valid,ic50,=,239,nM,C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3,
,,,4B2:A:401,valid,ic50,=,239,nM,C[C@]1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,2VIY,,,,,,,
,,,VG3:A:1448,valid,ic50,=,1.8,uM,CCCCCS(=O)(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O,
,,3L5C,,,,,,,
,,,BDQ:A:1,valid,ic50,=,7000,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C,
,,,BDQ:B:1,valid,ic50,=,7000,nM,[H]/N=C1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)Nc3ccc(cc3)C#N)(C)CC(C)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,4ZPG,,,,,,,
,,,4QF:A:501,valid,ic50,=,0.055,uM,C[C@H]1C[C@]2(CCN1Cc3ccccc3)C(=NC(=O)N2c4cccc(c4)F)NC5CCCCC5,
,,2FDP,,,,,,,
,,,FRP:A:386,valid,Ki,=,0.026,uM,CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N,
,,,FRP:B:386,valid,Ki,=,0.026,uM,CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N,
,,,FRP:C:386,valid,Ki,=,0.026,uM,CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)Nc3ccc(cc3)F)N,
,,1YM4,,,,,,,
,,,GLU VAL ASN 24M ALA:X:1,valid,ic50,=,0.039,uM,O=C([O-])C(NC(=O)C1C(C(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CCC1)C,
,,,GLU VAL ASN 24M ALA:Y:1,valid,ic50,=,0.039,uM,O=C([O-])C(NC(=O)C1C(C(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CCC1)C,
,,,GLU VAL ASN 24M ALA:Z:1,valid,ic50,=,0.039,uM,O=C([O-])C(NC(=O)C1C(C(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)CCC1)C,
,,4FRK,,,,,,,
,,,DWD:A:405,valid,ic50,=,0.008,uM,CC(C)COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cncnc5,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,4KE0,,,,,,,
,,,1R8:B:501,valid,ic50,=,0.017,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O,
,,,1R8:C:501,valid,ic50,=,0.017,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O,
,,,1R8:A:501,valid,ic50,=,0.017,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCC(=O)N4)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NW3,,,,,,,
,,,L4J:B:401,valid,Ki,=,21,nM,CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1,
,,,L4J:A:401,valid,Ki,=,21,nM,CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1,
,,,L4J:C:401,valid,Ki,=,21,nM,CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O)N1,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2G94,,,,,,,
,,,ZPQ:A:1001,valid,Ki,=,0.3,nM,Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C,
,,,ZPQ:B:2001,valid,Ki,=,0.3,nM,Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C,
,,,ZPQ:C:3001,valid,Ki,=,0.3,nM,Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C,
,,,ZPQ:D:4001,valid,Ki,=,0.3,nM,Cc1cc(n(n1)COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C)O)C,
,,4I0E,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,1B8:A:504,valid,,,,,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3c(csc3Br)c4c[nH]nc4)C(=O)O)Cl)C,
,,4AZY,,,,,,,
,,,7F3:A:1507,valid,ic50,=,125,nM,c1cc2c(c(c1)F)C(=N[C@@]2(c3ccc(c(c3)c4cncnc4)F)c5ccnc(c5)C(F)(F)F)N,
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1505,invalid,,,,,CC(=O)[O-],
,,,NA:A:1506,Part of Protein,,,,,[Na+],
,,5HDX,,,,,,,
,,,60U:A:501,valid,Ki,=,48,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N,
,,,60U:B:501,valid,Ki,=,48,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OCC)F)C)c4ccc(s4)C#N,
,,4B77,,,,,,,
,,,DMS:A:1503,invalid,,,,,CS(=O)C,
,,,54M:A:1504,valid,ic50,=,7.9,uM,COc1ccc(cc1)[C@]2(CCC(=N2)N)c3cccc(c3)c4cncnc4,
,,5HDZ,,,,,,,
,,,954:B:501,valid,Ki,=,45,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N,
,,,954:A:501,valid,Ki,=,45,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)SC)F)C)c4ccc(s4)C#N,
,,3VV8,,,,,,,
,,,B02:A:502,valid,ic50,=,17.1,uM,Cc1cccc(c1)c2ccc(cc2)[C@@H]3C[C@@H]3C4=CC(=O)N(C(=N4)N)C,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,3DUY,,,,,,,
,,,AFJ:A:501,valid,ic50,=,1.4,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,,AFJ:B:501,valid,ic50,=,1.4,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,,AFJ:C:501,valid,ic50,=,1.4,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,4J0T,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,6T9:A:504,valid,ic50,=,184,uM,CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,4ZPE,,,,,,,
,,,4QA:A:501,valid,ic50,=,0.45,uM,CC(C)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5,
,,4J0Z,,,,,,,
,,,1H5:A:504,valid,ic50,=,0.077,uM,c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3([C@H](COC(=N3)N)F)CF)F,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,5EZZ,,,,,,,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,5T6:A:501,valid,ic50,=,145,nM,Cc1cc(ccc1OC(F)F)[C@]2(COC(=N2)N)c3cccc(c3)c4cc(cnc4)Cl,
,,2VA6,,,,,,,
,,,H24:A:1504,valid,ic50,=,0.67,uM,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC,
,,,IOD:A:1501,invalid,,,,,[I-],
,,,IOD:A:1502,invalid,,,,,[I-],
,,,IOD:A:1503,invalid,,,,,[I-],
,,5QCU,,,,,,,
,,,E51:B:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O,
,,,E51:C:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O,
,,,E51:A:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCc2cccc(c2)CS(=O)(=O)C[C@H](C(=O)N1)C)C)O,
,,6EQM,,,,,,,
,,,BUH:A:401,valid,ic50,=,11,nM,C[C@]1(CO[C@@](C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(F)(F)F)Cl)F,
,,4IVT,,,,,,,
,,,VTI:A:401,valid,ic50,=,1.01,uM,[H]/N=C(NCc1cc(c(c(c1)Cl)NC(=O)C)Cl)/NC(=O)Cn2ccc3c2cccc3,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LPI,,,,,,,
,,,TLA:A:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,Z74:A:456,valid,Ki,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C,
,,,Z74:B:456,valid,Ki,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)S(=O)(=O)c4ccccc4)O)C,
,,4J1F,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1HL:A:504,valid,ic50,=,0.012,uM,C[C@]1(C[C@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,4ZSQ,,,,,,,
,,,4RX:B:401,valid,ic50,=,2.25,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N,
,,,4RX:A:401,valid,ic50,=,2.25,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@]34COC[C@H]([C@H]3C2)SC(=N4)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,2OHT,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IP6:A:601,valid,ic50,=,9.1,uM,c1cc(cc(c1)c2ccc3cc[nH]c3c2)CNc4cccnc4N,
,,3CIC,,,,,,,
,,,316:A:501,valid,ic50,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C,
,,,316:B:501,valid,ic50,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CCN3)Cc4ccccc4)O)C,
,,,TAR:A:552,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:553,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,5F01,,,,,,,
,,,5T7:A:504,valid,ic50,=,420,nM,C[C@]1(C(COC(=N1)N)(F)F)[C@@H]2C[C@H]2C(=O)Nc3cccc4c3ncc(c4)Cl,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,5V0N,,,,,,,
,,,8W4:A:404,valid,Ki,=,67.1,nM,CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O,
,,,8W4:B:406,valid,Ki,=,67.1,nM,CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O,
,,,8W4:C:405,valid,Ki,=,67.1,nM,CCc1cn2c3c1cc(cc3N(S(=O)(=O)C(C2)(C)C)C)C(=O)N[C@@H](Cc4ccccc4)[C@@H]([C@H]5C(=O)N(CCN5)Cc6ccccc6)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URE:B:407,invalid,,,,,C(=O)(N)N,
,,,URE:A:405,invalid,,,,,C(=O)(N)N,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,3MSK,,,,,,,
,,,EV4:A:396,valid,ic50,=,26,uM,CN(C1CCCCC1)C(=O)CCCn2c3ccc(cc3nc2N)Cl,
,,,GOL:A:394,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:393,invalid,,,,,[I-],
,,3IVI,,,,,,,
,,,2LI:A:1,valid,ic50,=,12,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O,
,,,2LI:B:2,valid,ic50,=,12,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O,
,,,2LI:C:3,valid,ic50,=,12,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CN[C@]2(CCc3c(cn[nH]3)C2)c4cccc(c4)C(C)(C)C)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:901,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B72,,,,,,,
,,,2FB:A:1503,valid,ic50,=,0.63,uM,Cc1nc2c(s1)[C@@](N=C2N)(c3ccc(cc3)OC)c4cccc(c4)c5cncnc5,
,,2PH6,,,,,,,
,,,712:A:401,valid,ic50,=,27,nM,C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)COC(=O)[C@@](C)(Cc3ccccc3)N,
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I0F,,,,,,,
,,,1BF:A:504,valid,ic50,=,0.45,uM,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3c4c[nH]nc4)C(=O)O)Cl)C,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,5HTZ,,,,,,,
,,,66J:B:501,valid,Ki,=,2.4,nM,[H]/N=C/1N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl,
,,,66J:A:501,valid,Ki,=,2.4,nM,[H]/N=C/1N[C@](CS(=O)(=O)N1C)(C)c2c(cc(s2)c3cc(cnc3)C#CC)Cl,
,,4DV9,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2OP VAL GNC PSA LEU ALA ZAE PLJ:B:1,valid,ic50,=,189,nM,O=C(N(C(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N1C(C(=O)OC)CCC1)CC1CCCCC1)C)C)CC(C)C)CC1CCCCC1)CCC(=O)N)C)C(NC(=O)C(O)C)C(C)C,
,,3L5F,,,,,,,
,,,BDX:A:1,valid,ic50,=,605,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3,
,,,BDX:B:1,valid,ic50,=,605,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)CC3CCCCC3,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,4ZPF,,,,,,,
,,,4QD:A:501,valid,ic50,=,0.18,uM,C[C@@H](CN)Oc1cccc(c1)CN2CCC3(CC2)C(=NC(=O)N3c4cccc(c4)F)NC5CCCCC5,
,,5QCV,,,,,,,
,,,E5A:B:401,valid,,,,,C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,,E5A:A:401,valid,,,,,C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,,E5A:C:401,valid,,,,,C[C@H]1C(=O)N[C@@H](Cc2cccc(c2)OCCCCCC(=O)N1C)[C@@H](CNCc3cccc(c3)C(C)C)O,
,,3UDJ,,,,,,,
,,,092:A:401,valid,ic50,=,242,uM,COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,2OF0,,,,,,,
,,,CMZ:A:390,valid,,,,,Cc1ccc(c(c1)OC[C@H](CN2CCOCC2)O)C,
,,,DMS:A:389,invalid,,,,,CS(=O)C,
,,,IOD:A:386,invalid,,,,,[I-],
,,,IOD:A:387,invalid,,,,,[I-],
,,,IOD:A:388,invalid,,,,,[I-],
,,4LXA,,,,,,,
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1YS:A:501,valid,ic50,=,0.002,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,,1YS:B:502,valid,ic50,=,0.002,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,,1YS:C:501,valid,ic50,=,0.002,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,3UDR,,,,,,,
,,,09F:A:501,valid,ic50,=,11,uM,c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OC4(CCCCC4)C#N)C(=O)N2,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,3TPP,,,,,,,
,,,5HA:A:999,valid,ic50,=,15,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC4CC4)O,
,,,CL:A:394,invalid,,,,,[Cl-],
,,,CL:A:395,invalid,,,,,[Cl-],
,,,CL:A:396,invalid,,,,,[Cl-],
,,,CL:A:397,invalid,,,,,[Cl-],
,,,CL:A:398,invalid,,,,,[Cl-],
,,,CL:A:399,invalid,,,,,[Cl-],
,,,CL:A:400,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URE:A:402,invalid,,,,,C(=O)(N)N,
,,,URE:A:403,invalid,,,,,C(=O)(N)N,
,,,URE:A:404,invalid,,,,,C(=O)(N)N,
,,,URE:A:405,invalid,,,,,C(=O)(N)N,
,,,URE:A:406,invalid,,,,,C(=O)(N)N,
,,,URE:A:407,invalid,,,,,C(=O)(N)N,
,,,URE:A:408,invalid,,,,,C(=O)(N)N,
,,,URE:A:409,invalid,,,,,C(=O)(N)N,
,,,URE:A:410,invalid,,,,,C(=O)(N)N,
,,,URE:A:411,invalid,,,,,C(=O)(N)N,
,,,URE:A:412,invalid,,,,,C(=O)(N)N,
,,6BFX,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DKJ:B:401,valid,ic50,=,0.079,uM,C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C,
,,,DKJ:A:401,valid,ic50,=,0.079,uM,C[C@H]1[C@@H](OC[C@@H](N1)[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)C)O)OCC(C)(C)C,
,,5QDD,,,,,,,
,,,E7A:A:402,valid,,,,,C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O,
,,,E7A:B:402,valid,,,,,C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O,
,,,E7A:C:402,valid,,,,,C[C@@H]1CCCCCCCOc2cc(cc(c2)C(=O)N(C)C)C(=O)N[C@@H](C1)[C@H](CO)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6JSF,,,,,,,
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,C7X:A:510,valid,ic50,=,3.3,nM,C[C@]1([C@@H](CSC(=N1)N)c2ccccc2)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF,
,,3S7M,,,,,,,
,,,532:A:1,valid,ic50,=,0.06,uM,CN1C(=O)[C@](N=C1N)(c2cccc(c2)c3cccnc3)c4ccsc4,
,,5KQF,,,,,,,
,,,6WD:A:501,valid,ic50,=,0.31,uM,C[C@]1(C[C@H](SC(=N1)N)c2cncnc2)c3ccc(cc3F)F,
,,5QD4,,,,,,,
,,,AXQ:B:401,valid,,,,,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,,AXQ:A:401,valid,,,,,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,,AXQ:C:401,valid,,,,,CCCCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)OC(C)(C)C)O,
,,2VJ7,,,,,,,
,,,VG6:A:1448,valid,ic50,=,40,nM,CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O,
,,3ZOV,,,,,,,
,,,WZV:A:1447,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,,,NA:A:1449,Part of Protein,,,,,[Na+],
,,,NA:A:1448,Part of Protein,,,,,[Na+],
,,,DMS:A:1450,invalid,,,,,CS(=O)C,
,,4J0Y,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1H6:A:504,valid,ic50,=,0.435,uM,C[C@]1([C@@H](COC(=N1)N)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,6DMI,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,5T5:A:504,valid,,,,,c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,4J1E,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,1HM:A:504,valid,ic50,=,0.019,uM,c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(C[C@H](OC(=N3)N)C(F)(F)F)CF)F,
,,4D8C,,,,,,,
,,,BXD:A:501,valid,ic50,=,0.002,uM,CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C,
,,,BXD:B:501,valid,ic50,=,0.002,uM,CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C,
,,,BXD:C:401,valid,ic50,=,0.002,uM,CCOC[C@H](C(F)(F)F)Oc1cc(cc(c1N)F)C[C@@H]2CS(=O)(=O)C[C@@H]([C@H]2O)NCc3cccc(c3)C(C)(C)C,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5I3V,,,,,,,
,,,68M:A:404,valid,Kd,=,16,nM,Cc1cccnc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)NCCC(C)(C)C,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,2NTR,,,,,,,
,,,L00:A:401,valid,,,,,C[C@H]1C[C@@H]1CN(CCOC)c2cc(c(c(n2)[N@](C)S(=O)(=O)C)Cl)c3nnc(o3)[C@@](C)(Cc4ccccc4)N,
,,3VV7,,,,,,,
,,,0B1:A:509,valid,ic50,=,4.6,uM,CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3cccc(c3)c4cccc(c4)OC,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,3DV5,,,,,,,
,,,BAV:A:501,valid,ic50,=,0.027,uM,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,,BAV:B:501,valid,ic50,=,0.027,uM,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,,BAV:C:501,valid,ic50,=,0.027,uM,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,3L59,,,,,,,
,,,BDJ:A:1,valid,Kd,=,200,uM,[H]/N=C1/NC(C(=O)N1Cc2cccc(c2)Cl)(C)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:1,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,2VIJ,,,,,,,
,,,C44:A:3000,valid,,,,,CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O,
,,,C44:A:3001,valid,,,,,CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@H]4CCCc5c4cccc5)O,
,,3UDM,,,,,,,
,,,09A:A:501,valid,ic50,=,33,uM,c1ccc(cc1)COC(=O)[C@H]2C[C@@]3(CN2)c4ccccc4NC3=O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,4DPI,,,,,,,
,,,0N1:A:501,valid,ic50,=,78,nM,Cc1cc2cc(c1)C(=O)N[C@@H](COC/C=C/C[C@@H](NC2=O)c3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O,
,,4ACX,,,,,,,
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,S8Z:A:1504,valid,ic50,=,77.6,nM,COCC#Cc1cccc(c1)[C@@]2(C3=NCC(CN3C(=N2)N)(F)F)c4ccc(cc4)OC(F)F,
,,5QCQ,,,,,,,
,,,AFJ:B:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,,AFJ:C:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,,AFJ:A:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)CCC(C)C)O,
,,4KE1,,,,,,,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,1R6:A:404,valid,ic50,=,0.0025,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCN6C=C(C=CC6=O)C(=O)N4)O,
,,6UWP,,,,,,,
,,,QKA:A:401,valid,ic50,=,0.028,uM,C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5,
,,,QKA:B:401,valid,ic50,=,0.028,uM,C[C@@H]1C[C@H]1CNC(=O)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QD3,,,,,,,
,,,E6M:A:401,valid,,,,,C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,,E6M:B:401,valid,,,,,C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,,E6M:C:401,valid,,,,,C[C@@H]1CCCCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,3HVG,,,,,,,
,,,EV0:A:441,valid,ic50,~,2,mM,CCCC1=CC(=O)NC(=N1)N,
,,,EV0:B:441,valid,ic50,~,2,mM,CCCC1=CC(=O)NC(=N1)N,
,,,EV0:B:442,valid,ic50,~,2,mM,CCCC1=CC(=O)NC(=N1)N,
,,,GOL:C:441,invalid,,,,,C(C(CO)O)O,
,,2WF3,,,,,,,
,,,GOL:A:2500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2503,invalid,,,,,C(C(CO)O)O,
,,,ZY3:A:2000,valid,ic50,=,0.019,uM,CCNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,3VF3,,,,,,,
,,,0GS:A:401,valid,ic50,=,1.37,uM,CC(c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)Br)N)F)(F)F,
,,4FRJ,,,,,,,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DWB:A:403,valid,ic50,=,0.28,uM,COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,2VNM,,,,,,,
,,,CM8:A:2000,valid,ic50,=,3,nM,CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O,
,,,CM8:A:2001,valid,ic50,=,3,nM,CCNc1cc(cc(c1)[N@@]2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(F)(F)F)O,
,,2Q11,,,,,,,
,,,XX4:A:501,valid,Ki,=,900,nM,CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4,
,,,XX4:B:502,valid,Ki,=,900,nM,CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4,
,,,XX4:C:503,valid,Ki,=,900,nM,CN(C1CCCCC1)C(=O)CCN2Cc3cc(ccc3N=C2N)C(=O)c4ccccc4,
,,6JSG,,,,,,,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,C6U:A:507,valid,ic50,=,4.6,nM,C[C@]1(CCSC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)Cl,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,NA:A:504,invalid,,,,,[Na+],
,,6NV7,,,,,,,
,,,L3J:B:401,valid,Ki,=,5,nM,CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C,
,,,L3J:C:401,valid,Ki,=,5,nM,CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C,
,,,L3J:A:401,valid,Ki,=,5,nM,CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)S(=O)(=O)C,
,,5QCR,,,,,,,
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,E4J:A:401,valid,,,,,CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O,
,,,E4J:B:401,valid,,,,,CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O,
,,,E4J:C:401,valid,,,,,CCCCNc1cc(cc(n1)OC)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@@H](C)C(=O)NCCCC)O,
,,3QBH,,,,,,,
,,,QBH:A:387,valid,ic50,=,0.15,uM,CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C,
,,,QBH:B:387,valid,ic50,=,0.15,uM,CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C,
,,,QBH:C:387,valid,ic50,=,0.15,uM,CCCN1[C@H](COC1=O)Cc2cc(ccc2O)C[C@@H]3CS(=O)(=O)C[C@@H]([C@H]3O)NCc4cccc(c4)C(C)C,
,,5QD1,,,,,,,
,,,E61:B:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,,E61:A:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,,E61:C:401,valid,,,,,C[C@@H]1CCOCCCCNc2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)COC,
,,4R92,,,,,,,
,,,3KU:B:503,valid,Ki,=,39,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4,
,,,3KU:A:501,valid,Ki,=,39,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)c4ccncc4,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3IVH,,,,,,,
,,,1LI:A:1,valid,ic50,=,47,nM,CC(=O)N[C@@H](Cc1cc(cc(c1)F)F)[C@@H](CNC2(CCCCC2)c3cccc(c3)C(C)(C)C)O,
,,5HU0,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,66H:A:502,valid,Ki,=,595,nM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4,
,,,66H:B:502,valid,Ki,=,595,nM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)NC(=O)c4ccco4,
,,3MSJ,,,,,,,
,,,EV3:A:393,valid,ic50,=,770,uM,c1cc2c(cc1Cl)nc(n2CCCO)N,
,,,EV3:B:393,valid,ic50,=,770,uM,c1cc2c(cc1Cl)nc(n2CCCO)N,
,,,EV3:C:393,valid,ic50,=,770,uM,c1cc2c(cc1Cl)nc(n2CCCO)N,
,,,GOL:A:394,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:395,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:396,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:394,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:395,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:396,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:397,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:394,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:395,invalid,,,,,C(C(CO)O)O,
,,3DV1,,,,,,,
,,,AR9:A:501,valid,ic50,=,0.59,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,,AR9:B:501,valid,ic50,=,0.59,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,,AR9:C:501,valid,ic50,=,0.59,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,5HE4,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,60T:A:501,valid,Ki,=,20,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F,
,,,60T:B:502,valid,Ki,=,20,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)OC)F)C)c4c(cccc4F)F,
,,4H3J,,,,,,,
,,,10W:A:502,valid,Ki,=,90,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F,
,,,10W:B:503,valid,Ki,=,90,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ccccc3)c4ccc(s4)c5ccc(c(c5)C#N)F,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4WY1,,,,,,,
,,,3VO:A:4000,valid,ic50,=,5.1,uM,c1cc(c(cc1F)F)[C@]23COCC[C@H]2CSC(=N3)N,
,,3OOZ,,,,,,,
,,,ZOO:A:1,valid,ic50,=,0.014,uM,CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#CCCCF)F,
,,2PH8,,,,,,,
,,,35A:A:388,valid,ic50,=,1800,nM,C[C@@H]1CCc2cccc(c2)C[C@@](C(=O)OCc3cc(nc(c3)[N@](C)S(=O)(=O)C)CC1)(C)N,
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IND,,,,,,,
,,,593:A:1,valid,ic50,=,1.53,uM,CN1C(=O)[C@@](N=C1N)(c2ccccc2)C34CC5CC(C3)CC(C5)C4,
,,5QDB,,,,,,,
,,,BAV:A:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,,BAV:B:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,,BAV:C:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CNCc2cccc(c2)C(C)C)O)C)C,
,,1TQF,,,,,,,
,,,32P:A:401,valid,ic50,=,1.4,uM,C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)OS(=O)(=O)Cc3ccccc3)OCC(=O)NCCCCCN,
,,2OHN,,,,,,,
,,,4FP:A:405,valid,,,,,c1cc(ccc1CC2CCNCC2)F,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,4R95,,,,,,,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,3KW:A:503,valid,Ki,=,22,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4,
,,,3KW:B:502,valid,Ki,=,22,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)Nc4ccc5ccccc5n4,
,,2QMG,,,,,,,
,,,SC6:A:1,valid,Ki,=,0.7,nM,Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O,
,,,SC6:B:1,valid,Ki,=,0.7,nM,Cc1cc(cc(c1)C(=O)N2CCC[C@@H]2COC)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H]([C@H]4C[C@H](CN4)Oc5ccccc5)O,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,2WJO,,,,,,,
,,,QUD:A:1389,valid,,,,,c1ccc(cc1)Oc2ccc3c(c2)c[n+](c(n3)N)[C@@H](CNC(=O)C4CCCCC4)C5CCCCC5,
,,2XFK,,,,,,,
,,,AA9:A:500,valid,ic50,=,3,nM,CCNc1cc(cc(c1)N(c2ccccc2)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O,
,,5QCW,,,,,,,
,,,AR9:A:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,,AR9:B:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,,AR9:C:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCCCC(=O)N[C@H](C(=O)N1)C)C)O,
,,4FM8,,,,,,,
,,,0UQ:A:501,valid,ic50,=,2.4,uM,C[C@H]1C[C@]2(CCN1Cc3cccc(c3)OC(C)C)CN(S(=O)(=O)N2c4cccc(c4)F)C,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,4FRI,,,,,,,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DWA:A:404,valid,ic50,=,2.85,uM,COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,2QP8,,,,,,,
,,,SC7:A:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C,
,,,SC7:B:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)OCC)O)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,6UVP,,,,,,,
,,,QJJ:A:401,valid,,,,,c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,QJJ:B:401,valid,,,,,c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,QJJ:B:402,valid,,,,,c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,QJJ:B:403,valid,,,,,c1cc(ncc1F)C(=O)N[C@H]2C[C@@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QJM:B:404,valid,,,,,c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,,QJM:A:402,valid,,,,,c1cc(ncc1F)C(=O)N[C@@H]2C[C@H]2[C@]34COC[C@H]3CSC(=N4)N,
,,4BEK,,,,,,,
,,,XK0:A:1447,valid,ic50,=,41.2,uM,C[C@]1(CCSC(=N1)N)c2ccc(cc2)OC,
,,,NA:A:1449,Part of Protein,,,,,[Na+],
,,,NA:A:1448,Part of Protein,,,,,[Na+],
,,,DMS:A:1450,invalid,,,,,CS(=O)C,
,,4J1H,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,1HJ:A:504,valid,ic50,=,0.776,uM,C[C@]1(C[C@@H](OC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,4HA5,,,,,,,
,,,13W:A:502,valid,Ki,=,56,nM,[H]/N=C/1N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N,
,,,13W:B:503,valid,Ki,=,56,nM,[H]/N=C/1N[C@](CC(=O)N1C)(C)c2cc(cs2)c3cccc(c3)C#N,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5I3W,,,,,,,
,,,68L:A:406,valid,Kd,=,0.6,nM,c1cc2c(cc1NC(=O)c3ccc(cn3)Cl)[C@@]4(COC(=N4)N)c5cc(ncc5O2)C6=CCCOC6,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,6BFD,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,DJS:A:401,valid,ic50,=,0.005,uM,CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O,
,,,DJS:B:401,valid,ic50,=,0.005,uM,CC[C@H](C)Nc1cc(cc(n1)S(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)[C@@H]([C@H]3CCCN3)O,
,,2WF4,,,,,,,
,,,ZY4:A:2000,valid,ic50,=,13,nM,CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(CNC5CCOCC5)(O)O,
,,3IN4,,,,,,,
,,,BX2:A:1,valid,ic50,=,0.04,uM,CCc1cc(cc(n1)CC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4,
,,2OHS,,,,,,,
,,,9IP:A:389,valid,ic50,=,40,uM,COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N,
,,,DMS:A:388,invalid,,,,,CS(=O)C,
,,,IOD:A:386,invalid,,,,,[I-],
,,,IOD:A:387,invalid,,,,,[I-],
,,3UDH,,,,,,,
,,,091:A:501,valid,Kd,=,1.4,mM,c1ccc2c(c1)[C@]3(CCNC3)C(=O)N2,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,3UDP,,,,,,,
,,,09D:A:501,valid,ic50,=,6,uM,c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)O[C@H]4CCSc5c4cc(cc5)Br)C(=O)N2,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,3RSV,,,,,,,
,,,3RS:A:400,valid,ic50,=,0.0007,uM,Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)C[C@@H](C)C(=O)N[C@@H]4CCOC(C4)(C)C,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:393,invalid,,,,,[I-],
,,,IOD:A:394,invalid,,,,,[I-],
,,,IOD:A:395,invalid,,,,,[I-],
,,,IOD:A:396,invalid,,,,,[I-],
,,4H3F,,,,,,,
,,,10O:A:502,valid,Ki,=,1,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N,
,,,10O:B:503,valid,Ki,=,1,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3cccc(n3)OC)c4cc(cs4)c5cccc(c5)C#N,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3LPK,,,,,,,
,,,TLA:A:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:455,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,Z76:A:456,valid,Ki,=,0.8,nM,Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O,
,,,Z76:B:456,valid,Ki,=,0.8,nM,Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCC[C@@H]5COC)C)O,
,,3CKP,,,,,,,
,,,012:A:501,valid,Ki,=,0.449,uM,CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O,
,,,012:B:502,valid,Ki,=,0.449,uM,CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O,
,,,012:C:503,valid,Ki,=,0.449,uM,CN(C)c1cccc(c1)CNC[C@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)N3)Cc4cccc(c4)OC)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:C:604,invalid,,,,,[Cl-],
,,,CL:C:609,invalid,,,,,[Cl-],
,,4J1K,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1HG:A:504,valid,ic50,=,0.013,uM,C[C@]1([C@H]([C@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,3PI5,,,,,,,
,,,3P5:A:387,valid,ic50,=,0.95,uM,c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O,
,,,3P5:B:387,valid,ic50,=,0.95,uM,c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O,
,,,3P5:C:387,valid,ic50,=,0.95,uM,c1cc(cc(c1)C2CC2)CN[C@H]3CS(=O)(=O)C[C@H]([C@@H]3O)Cc4ccc(c(c4)Br)O,
,,3INH,,,,,,,
,,,569:A:1,valid,ic50,=,0.02,uM,CN1C(=O)[C@@](N=C1N)(c2ccc(cc2)OC(F)(F)F)c3ccc(c(c3)c4cncnc4)F,
,,2HIZ,,,,,,,
,,,LIJ:A:801,valid,ic50,=,112,nM,CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3,
,,,LIJ:B:802,valid,ic50,=,112,nM,CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3,
,,,LIJ:C:803,valid,ic50,=,112,nM,CCCC(CCC)S(=O)(=O)C[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CNCc2cccc(c2)OC)O)NC(=O)OCc3ccccc3,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2P4J,,,,,,,
,,,23I:A:501,valid,Ki,=,1.1,nM,CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2,
,,,23I:B:502,valid,Ki,=,1.1,nM,CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2,
,,,23I:C:503,valid,Ki,=,1.1,nM,CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2,
,,,23I:D:504,valid,Ki,=,1.1,nM,CC(C)C[C@@H]([C@H](C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C)O)NC(=O)c1cc(cc(c1)[N@@](C)S(=O)(=O)C)C(=O)N[C@H](C)c2ccccc2,
,,4R91,,,,,,,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,3KT:A:502,valid,Ki,=,430,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4,
,,,3KT:B:502,valid,Ki,=,430,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC4CCCC4,
,,4ACU,,,,,,,
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1505,invalid,,,,,CC(=O)[O-],
,,,QN7:A:1506,valid,ic50,=,40.7,nM,COc1cccc(c1F)c2cccc(c2)[C@@]3(C4=NCC(CN4C(=N3)N)(F)F)c5ccncc5,
,,2IRZ,,,,,,,
,,,I02:A:386,valid,ic50,=,12,nM,C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)c3nnc(o3)[C@@](C)(Cc4ccccc4)N,
,,5ENM,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,5QU:A:503,valid,ic50,=,70,nM,Cc1c(c(on1)C)[C@@H]2C[C@H](N[C@H](S2)N)c3cc(c(cc3F)F)c4cncnc4,
,,,IOD:A:502,invalid,,,,,[I-],
,,4H3I,,,,,,,
,,,10V:A:502,valid,Ki,=,3,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N,
,,,10V:B:503,valid,Ki,=,3,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)OC)c4cc(cs4)c5cccc(c5)C#N,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2QZK,,,,,,,
,,,I21:A:400,valid,ic50,=,27,nM,C[C@]1(Cc2cccc(c2)C=CC(=NC(=O)c3cc(cc(c3)c4ccccc4C#N)COC1=O)c5ccccc5)N,
,,5EZX,,,,,,,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,5T5:A:501,valid,ic50,=,87,nM,c1cc(ccc1[C@]2(COC(=N2)N)[C@@H]3C[C@H]3C(=O)c4cc(cnc4)Cl)OC(F)F,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,4J0P,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,1H8:A:504,valid,ic50,=,0.051,uM,C[C@]1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,3UDY,,,,,,,
,,,09G:A:501,valid,ic50,=,2,uM,c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,2VIZ,,,,,,,
,,,VG4:A:1448,valid,ic50,=,605,nM,CCCOc1cc(cc(c1)N2C=CCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O,
,,4RCF,,,,,,,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,3LO:A:404,valid,ic50,=,4,nM,c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(cc(c5O3)F)C6=CCOCC6,
,,4EXG,,,,,,,
,,,916:A:500,valid,ic50,=,8.5,nM,CC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@H]2CC(Oc3c2cc(s3)CC(C)(C)C)(C)C)O,
,,6C2I,,,,,,,
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EJ7:A:407,valid,ic50,=,0.081,uM,C[C@]1([C@H]2C[C@H]2OC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OC,
,,2XFJ,,,,,,,
,,,VG5:A:500,valid,ic50,=,13,nM,CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O,
,,5QDC,,,,,,,
,,,E77:B:402,valid,,,,,CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O,
,,,E77:A:402,valid,,,,,CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O,
,,,E77:C:402,valid,,,,,CN(C)C(=O)c1cc2cc(c1)OCCCCOc3cccc(c3)C[C@H](NC2=O)[C@H](CO)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6OD6,,,,,,,
,,,M7D:C:401,valid,ic50,=,0.00000001,M,C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N,
,,,M7D:B:401,valid,ic50,=,0.00000001,M,C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N,
,,,M7D:A:401,valid,ic50,=,0.00000001,M,C[C@]1(Cn2cccc2C(=N1)N)c3cc(ccc3F)NC(=O)c4ccc(cn4)C#N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,5QCT,,,,,,,
,,,E4Y:A:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O,
,,,E4Y:B:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O,
,,,E4Y:C:401,valid,,,,,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1C[C@@H](CCCCCN(C(=O)c2cc(cc(c2)OCC)C(=O)N1)CC)C)O,
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2VA7,,,,,,,
,,,C27:A:1505,valid,ic50,=,0.2,uM,C[C@]1(CC(=O)N(C(=N1)N)C)CCc2cccc(c2)c3cccc(c3)OC,
,,,IOD:A:1502,invalid,,,,,[I-],
,,,IOD:A:1503,invalid,,,,,[I-],
,,,IOD:A:1504,invalid,,,,,[I-],
,,3BRA,,,,,,,
,,,AEF:A:394,valid,Kd,=,2000,uM,c1cc(ccc1CCN)O,
,,3KN0,,,,,,,
,,,3TO:A:501,valid,Kd,~,100,uM,C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3,
,,,3TO:B:501,valid,Kd,~,100,uM,C[N@@](Cc1cccc(c1)CCc2cccnc2N)Cc3ccco3,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5IE1,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,6BS:A:407,valid,Kd,=,140,nM,Cc1ccccc1c2ccc3c(c2)cc(c(n3)N)CCC(=O)NCCC(C)(C)C,
,,3MSL,,,,,,,
,,,EV5:A:395,valid,ic50,=,7,uM,CC[C@@H](CC(=O)NCC1CCCCC1)n2c3ccc(cc3nc2N)Cl,
,,,IOD:A:393,invalid,,,,,[I-],
,,,IOD:A:394,invalid,,,,,[I-],
,,2OHQ,,,,,,,
,,,7IP:A:404,valid,ic50,=,25,uM,COc1cccc(c1)c2cccc(c2)CCc3cccc(n3)N,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,4I11,,,,,,,
,,,1CH:A:504,valid,ic50,=,27.2,uM,CC1(Cc2ccccc2C(=N1)N[C@@H](Cc3ccccc3)C(=O)O)C,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,5I3Y,,,,,,,
,,,68K:A:401,valid,Kd,=,0.4,nM,CC(C)(C)CCNC(=O)CCc1cc2cc(ccc2nc1N)c3ccccc3CCc4ccc(cn4)NC(=O)c5ccc(cc5)F,
,,3ZMG,,,,,,,
,,,DMS:A:1451,invalid,,,,,CS(=O)C,
,,,6Z0:A:1448,valid,ic50,=,0.023,uM,[H]/N=C1/N[C@](C(CO1)(F)F)(C)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,NA:A:1449,Part of Protein,,,,,[Na+],
,,,NA:A:1450,Part of Protein,,,,,[Na+],
,,4I0Z,,,,,,,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,1BB:A:501,valid,ic50,=,0.47,uM,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)C(=CN4)C#N)Cl)C,
,,5F00,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,5T8:A:504,valid,ic50,=,250,nM,C[C@]1(COCC(=N1)N)c2cccc(c2)Nc3cccc4c3ncc(c4)Cl,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,4B05,,,,,,,
,,,32D:A:1391,valid,Ki,=,26.1,nM,c1cc(cc(c1)[C@@]2(c3cccc(c3C(=N2)N)F)c4ccnc(c4)C(F)F)c5cncnc5,
,,,ACT:A:1385,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1386,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1387,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1388,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1389,invalid,,,,,CC(=O)[O-],
,,,NA:A:1390,Part of Protein,,,,,[Na+],
,,4DI2,,,,,,,
,,,0K9:A:501,valid,ic50,=,5.5,nM,C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC,
,,,0K9:B:501,valid,ic50,=,5.5,nM,C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC,
,,,0K9:C:501,valid,ic50,=,5.5,nM,C[C@H](C(=O)N[C@@H](Cc1cccc(c1)c2nccs2)[C@@H](CN[C@H]3CC4(CCC4)Oc5c3cc(cn5)CC(C)(C)C)O)OC,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,3OHF,,,,,,,
,,,3HF:A:501,valid,ic50,=,94,nM,CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,,3HF:B:501,valid,ic50,=,94,nM,CCCCN(CCCC)C(=O)n1cc(c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,2ZDZ,,,,,,,
,,,310:A:1,valid,ic50,=,0.7,uM,[H]/N=C(N)/NC(=O)Cn1c(ccc1c2ccccc2Cl)c3ccc(cc3)Oc4ccc(cc4)C(=O)C,
,,4I0G,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,1B9:A:504,valid,,,,,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3cscc3Br)C(=O)O)Cl)C,
,,3LNK,,,,,,,
,,,74A:A:1,valid,ic50,=,1150,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C,
,,,74A:B:2,valid,ic50,=,1150,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3CN(CCN3)C(=O)c4ccccc4)O)C,
,,,TLA:A:3,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:4,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4J17,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1HQ:A:504,valid,ic50,=,0.054,uM,c1cc(c(cc1NC(=O)c2ccc(cn2)C#N)[C@@]3(CCOC(=N3)N)C(F)F)F,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,3IXK,,,,,,,
,,,929:A:500,valid,ic50,=,6.6,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O,
,,,929:B:500,valid,ic50,=,6.6,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O,
,,,929:C:500,valid,ic50,=,6.6,nM,CC(C)[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](C)C[C@@H]([C@H](COCc2cc(cc(c2)F)F)NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4ccccc4)O,
,,5QCY,,,,,,,
,,,E5P:A:401,valid,,,,,C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5,
,,,E5P:C:401,valid,,,,,C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5,
,,,E5P:B:401,valid,,,,,C[C@@H]1CCCCCN(C(=O)c2cc(cc(c2)C(=O)N[C@@H](C1)[C@@H](CNCc3cccc(c3)C(C)C)O)c4ncco4)[C@H](C)c5ccccc5,
,,4K8S,,,,,,,
,,,1QT:A:401,valid,ic50,=,0.036,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O,
,,,1QT:C:401,valid,ic50,=,0.036,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O,
,,,1QT:B:401,valid,ic50,=,0.036,uM,CCc1ccc2c(c1)[C@H](CC3(O2)CCC3)NC[C@H]([C@@H]4Cc5cccc(c5)CCCCCCCC(=O)N4)O,
,,3BUH,,,,,,,
,,,AED:A:394,valid,Kd,=,220,uM,c1cc(c(cc1CCN)C2CCCCC2)O,
,,4FGX,,,,,,,
,,,2OP VAL GNC PSA LEU ALA ZAE:B:1,valid,ic50,=,73,nM,O=C([O-])C(N(C(=O)C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C)C(C)C)C)CCC(=O)N)CC1CCCCC1)CC(C)C)C)C)CC1CCCCC1,
,,,URE:A:504,invalid,,,,,C(=O)(N)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,5QD7,,,,,,,
,,,0BI:A:401,valid,,,,,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,,0BI:B:401,valid,,,,,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,,0BI:C:401,valid,,,,,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,4I1C,,,,,,,
,,,1BE:A:504,valid,ic50,=,0.4,uM,CCCc1c(c(cs1)c2c[nH]nc2)C[C@@H](C(=O)O)NC3=NC(Cc4c3ccc(c4)Cl)(C)C,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,3EXO,,,,,,,
,,,5MS:A:453,valid,ic50,=,24,uM,Cc1ccc(cc1NS(=O)(=O)C)Nc2cc(ncn2)c3ccccc3,
,,,GOL:A:452,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:449,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:450,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3S7L,,,,,,,
,,,591:A:1,valid,ic50,=,0.08,uM,CCn1cc(cn1)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cncnc4,
,,2VJ6,,,,,,,
,,,VG5:A:1447,valid,ic50,=,13,nM,CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H](C)C(=O)NC4CCCCC4)O,
,,3L58,,,,,,,
,,,CS5:A:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C,
,,,CS5:B:1,valid,ic50,=,8,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H](CNCc3cccc(c3)OC)O)C,
,,4JPC,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,1M6:A:502,valid,ic50,=,94,nM,CC1(C[C@@]2(c3cc(ccc3O1)c4cccc(c4)C#N)C(=O)N(C(=N2)N)C)C,
,,3RU1,,,,,,,
,,,3RU:A:398,valid,Kd,=,14.2,uM,c1ccc2c(c1)cc(c(n2)N)CCC(=O)NCC3CCCCC3,
,,,GOL:A:393,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:394,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:395,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:396,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1502,invalid,,,,,[I-],
,,,IOD:A:1503,invalid,,,,,[I-],
,,,IOD:A:1504,invalid,,,,,[I-],
,,,IOD:A:1505,invalid,,,,,[I-],
,,3K5F,,,,,,,
,,,AYH:A:387,valid,ic50,=,3.7,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O,
,,,AYH:B:387,valid,ic50,=,3.7,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O,
,,,AYH:C:387,valid,ic50,=,3.7,uM,CCCCNC(=O)[C@H](C)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O,
,,3RSX,,,,,,,
,,,IOD:A:393,invalid,,,,,[I-],
,,,IOD:A:394,invalid,,,,,[I-],
,,,IOD:A:395,invalid,,,,,[I-],
,,,IOD:A:396,invalid,,,,,[I-],
,,,RSV:A:397,valid,Kd,=,38.8,uM,c1cc(nc2c1cc(cc2)c3ccsc3)N,
,,4B00,,,,,,,
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1506,invalid,,,,,CC(=O)[O-],
,,,I6X:A:1507,valid,ic50,=,2.44,nM,CCN1C=C(C=C(C1=O)C)[C@]2(c3cccc(c3C(=N2)N)F)c4cccc(c4)c5cc(cnc5)C#CC,
,,3VV6,,,,,,,
,,,B00:A:510,valid,ic50,=,157,uM,CN1C(=O)C=C(N=C1N)[C@H]2C[C@H]2c3ccccc3,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,4DJU,,,,,,,
,,,0KK:A:501,valid,Ki,=,3.6,uM,[H]/N=C/1NC(C(=O)N1C)(c2ccccc2)c3ccccc3,
,,,0KK:B:501,valid,Ki,=,3.6,uM,[H]/N=C/1NC(C(=O)N1C)(c2ccccc2)c3ccccc3,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2OHK,,,,,,,
,,,1SQ:A:390,valid,,,,,c1ccc2c(c1)ccnc2N,
,,,DMS:A:389,invalid,,,,,CS(=O)C,
,,,IOD:A:386,invalid,,,,,[I-],
,,,IOD:A:387,invalid,,,,,[I-],
,,,IOD:A:388,invalid,,,,,[I-],
,,3UDN,,,,,,,
,,,09B:A:401,valid,ic50,=,7,uM,c1ccc2c(c1)[C@]3(C[C@@H](NC3)C(=O)OCc4ccc(cc4)C#N)C(=O)N2,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,4J1I,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1HH:A:504,valid,ic50,=,0.04,uM,C[C@]1([C@H]([C@@H](OC(=N1)N)C(F)(F)F)F)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,2QMF,,,,,,,
,,,CS9:A:1,valid,ic50,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C,
,,,CS9:B:1,valid,ic50,=,3,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)Oc4ccccc4)O)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,5HD0,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,60Y:B:502,valid,Ki,=,4,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N,
,,,60Y:A:502,valid,Ki,=,4,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3ncc(cn3)F)c4cc(cs4)c5cccc(c5)C#N,
,,4I10,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,1BS:A:504,valid,ic50,=,0.17,uM,CC1(Cc2cc(ccc2C(=N1)N[C@@H](Cc3ccccc3)C4=NC(=O)c5cnccc5N4)Cl)C,
,,3IGB,,,,,,,
,,,454:A:1,valid,ic50,=,38,uM,c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4,
,,6FGY,,,,,,,
,,,D9W:A:501,valid,ic50,=,70,nM,C[C@]1(COCC(=N1)N)c2cccc(c2)NC(=O)c3ccc(cn3)Br,
,,1M4H,,,,,,,
,,,GLU LEU ASP 1OL VAL GLU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)C)C(C)C)CCC(=O)[O-])Cc1ccccc1,
,,,GLU LEU ASP 1OL VAL GLU PHE:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)C)C(C)C)CCC(=O)[O-])Cc1ccccc1,
,,5QDA,,,,,,,
,,,E74:A:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O,
,,,E74:C:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O,
,,,E74:B:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)CCCCNc4cc(cc(n4)OC)C(=O)N2)O,
,,2F3F,,,,,,,
,,,AXF:A:601,valid,ic50,=,190,nM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,,AXF:B:602,valid,ic50,=,190,nM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,,AXF:C:603,valid,ic50,=,190,nM,CCCCNC(=O)[C@H](C)C[C@@H]([C@@H]1CSCC=CCS[C@H]2CCCN[C@H]2C(=O)N[C@H](C(=O)N1)C)O,
,,3INF,,,,,,,
,,,X45:A:1,valid,ic50,=,0.04,uM,Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)c3cccc(c3)c4cccnc4,
,,5QD2,,,,,,,
,,,E6J:B:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O,
,,,E6J:A:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O,
,,,E6J:C:401,valid,,,,,CC(C)c1cccc(c1)CNC[C@H]([C@@H]2Cc3cccc(c3)OCCCCOc4cc(cc(c4)C(=O)N2)COC)O,
,,4R93,,,,,,,
,,,779:B:502,valid,Ki,=,16,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4,
,,,779:A:503,valid,Ki,=,16,nM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCC[C@H](C3)NC(=O)Nc4ccccc4,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4R5N,,,,,,,
,,,3J9:A:502,valid,ic50,=,76,nM,C[C@]12CCCO[C@@H]1[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cccnc5F,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,4H3G,,,,,,,
,,,10Q:A:502,valid,Ki,=,6,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N,
,,,10Q:B:503,valid,Ki,=,6,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3c(cccn3)C#N)c4cc(cs4)c5cccc(c5)C#N,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2QU3,,,,,,,
,,,462:A:1,valid,ic50,=,0.59,uM,[H]/N=C(N)/NC(=O)Cc1c(csc1c2ccccc2Cl)c3ccc(cc3)OCCC,
,,4B1E,,,,,,,
,,,6T6:A:1503,valid,,,,,C[C@]1(NC(=C(N1)N)c2ccccc2)c3cccc(c3)c4cccnc4,
,,4DVF,,,,,,,
,,,QSC USC PSA LEU ALA ZAE PLJ:C:1,valid,ic50,=,128,nM,S(=O)(=O)(NC1CC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N2C(C(=O)OC)CCC2)CC2CCCCC2)C)C)CC(C)C)CC2CCCCC2)CC(C(=O)NC(C)C2CCCCC2)C1)C,
,,,QSC USC PSA LEU ALA ZAE PLJ:D:1,valid,ic50,=,128,nM,S(=O)(=O)(NC1CC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N2C(C(=O)OC)CCC2)CC2CCCCC2)C)C)CC(C)C)CC2CCCCC2)CC(C(=O)NC(C)C2CCCCC2)C1)C,
,,5YGY,,,,,,,
,,,0B6:A:509,valid,ic50,=,59,nM,C[C@]1(C=C(OC(=N1)N)CF)c2cc(ccc2F)NC(=O)c3ccc(cn3)C#N,
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,4LXM,,,,,,,
,,,1YU:B:501,valid,ic50,=,0.088,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,,1YU:C:501,valid,ic50,=,0.088,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,,1YU:A:501,valid,ic50,=,0.088,uM,CC(C)(C)c1cccc(c1)CN[C@H]2C[S@@](=O)C[C@H]([C@@H]2O)Cc3cc(c(c(c3)F)N)OC(C(F)(F)F)C(F)(F)F,
,,2OHP,,,,,,,
,,,6IP:A:389,valid,ic50,=,94,uM,c1cc(nc(c1)N)CCc2ccc3cc[nH]c3c2,
,,,DMS:A:388,invalid,,,,,CS(=O)C,
,,,IOD:A:386,invalid,,,,,[I-],
,,,IOD:A:387,invalid,,,,,[I-],
,,2XFI,,,,,,,
,,,XFI:A:1448,valid,ic50,=,15,nM,C[C@@H](C(=O)NC1CCCCC1)NC[C@H]([C@H](Cc2ccccc2)NC(=O)c3cccc(c3)N(c4ccccc4)S(=O)(=O)C)O,
,,2IS0,,,,,,,
,,,I03:A:386,valid,ic50,=,200,nM,C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)OC[C@](Cc3ccccc3)(CO)N,
,,3K5C,,,,,,,
,,,0BI:A:387,valid,ic50,=,17,nM,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,,0BI:B:387,valid,ic50,=,17,nM,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,,0BI:C:387,valid,ic50,=,17,nM,CC(C)c1cccc(c1)C2(CC2)NC[C@H]([C@@H]3Cc4cccc(c4)OCCCCNc5cc(cc(c5)C(=O)N3)COC)O,
,,5HE5,,,,,,,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,60S:B:502,valid,Ki,=,336,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N,
,,,60S:A:502,valid,Ki,=,336,nM,[H]/N=C/1N[C@]2(CN(C[C@H]2C(=O)N1C)c3nc(c(c(n3)NC)F)C)c4ccc(s4)C#N,
,,3LHG,,,,,,,
,,,Z81:A:1,valid,ic50,=,0.02,uM,CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F,
,,3L5B,,,,,,,
,,,BDO:A:1,valid,Kd,=,123,uM,[H]/N=C1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C,
,,,BDO:B:455,valid,Kd,=,123,uM,[H]/N=C1/N[C@](C(=O)N1Cc2cccc(c2)Cl)(C)CC(C)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:1,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,4B70,,,,,,,
,,,WM9:A:1503,valid,ic50,=,6.3,uM,C[C@@]1(N=C(CCO1)N)c2cccc(c2)c3cccc(c3)Cl,
,,6JT4,,,,,,,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,C86:A:506,valid,ic50,=,9.1,nM,C[C@]1(C[C@H](SC(=N1)N)C(F)(F)F)c2cc(ccc2F)NC(=O)c3cnc(cn3)OCF,
,,3VEU,,,,,,,
,,,0GO:A:378,valid,ic50,=,55,nM,CCCN1CCC[C@@]12CCN(C2=O)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)C(C)C)O,
,,4DJV,,,,,,,
,,,0KM:A:501,valid,Ki,=,0.19,uM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC,
,,,0KM:B:501,valid,Ki,=,0.19,uM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccc(c4)OC,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4R8Y,,,,,,,
,,,3KO:B:502,valid,Ki,=,0.64,uM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4,
,,,3KO:A:501,valid,Ki,=,0.64,uM,[H]/N=C/1N[C@](C(=O)N1C)(CCC2CCCCC2)C[C@H]3CCN(C3)C(=O)CC4CCCC4,
,,,TLA:B:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3INE,,,,,,,
,,,X17:A:1,valid,ic50,=,0.17,uM,Cc1cc(ccc1OC)[C@]2(C(=O)N(C(=N2)N)C)C34CC5CC(C3)CC(C5)C4,
,,2Q15,,,,,,,
,,,3MR:A:386,valid,Ki,=,11,nM,CN(C1CCCCC1)C(=O)CC[C@@H](C2CCCCC2)N3Cc4cc(ccc4N=C3N)Oc5ccccc5,
,,2VIE,,,,,,,
,,,VG0:A:1448,valid,ic50,=,33,nM,CCNc1cc(cc(c1)N2CCCC2=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)CCCC(C)C)O,
,,4FM7,,,,,,,
,,,0UP:A:501,valid,ic50,=,0.1,uM,C[C@H]1C[C@]2(CCN1Cc3ccc(c(c3)OC(C)C)O)CN(S(=O)(=O)N2c4cccc(c4)F)C,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,1FKN,,,,,,,
,,,GLU VAL ASN 1OL ALA GLU PHE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)C)C)CCC(=O)[O-])Cc1ccccc1,
,,,GLU VAL ASN 1OL ALA GLU PHE:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)CC(=O)N)CC(C)C)C)C)CCC(=O)[O-])Cc1ccccc1,
,,4D83,,,,,,,
,,,0GT:A:401,valid,ic50,=,0.055,uM,CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F,
,,,0GT:B:501,valid,ic50,=,0.055,uM,CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F,
,,,0GT:C:501,valid,ic50,=,0.055,uM,CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F,
,,4ZSP,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,4RZ:B:401,valid,ic50,=,1.83,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N,
,,,4RZ:A:401,valid,ic50,=,1.83,uM,c1cc(cc(c1)Cl)C(=O)N[C@H]2CC[C@@H]3[C@H](C2)CSC(=N3)N,
,,4B1D,,,,,,,
,,,6TG:A:1505,valid,ic50,=,0.012,uM,Cc1cc(cc(c1OC)C)[C@]2(N=C(C(=N2)N)C)c3cccc(c3)c4cncnc4,
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1504,invalid,,,,,CC(=O)[O-],
,,3VG1,,,,,,,
,,,0GT:A:401,valid,ic50,=,0.055,uM,CC(C)(C)c1cccc(c1)CN[C@H]2CS(=O)(=O)C[C@H]([C@@H]2O)Cc3ccc4c(c3)c(c[nH]4)CC(F)F,
,,2P8H,,,,,,,
,,,MY9:A:386,valid,ic50,=,71,nM,C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H]([C@H]4C(=O)N(C(N4)(C)C)C)O,
,,3BUG,,,,,,,
,,,AEH:A:394,valid,Kd,=,660,uM,CCc1cc(ccc1O)CCN,
,,2QMD,,,,,,,
,,,CS7:A:1,valid,ic50,=,5,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C,
,,,CS7:B:1,valid,ic50,=,5,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCc4ccccc4)O)C,
,,,TAR:A:2,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:448,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:3,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,2WF0,,,,,,,
,,,ZY0:A:2000,valid,ic50,=,0.21,uM,CCc1ccnc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)C(F)(F)F)O,
,,3IN3,,,,,,,
,,,472:A:1,valid,ic50,=,0.06,uM,CN1C(=O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cccnc4,
,,3CIB,,,,,,,
,,,314:A:501,valid,ic50,=,14,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C,
,,,314:B:501,valid,ic50,=,14,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[C@H](CCN3)Cc4ccccc4)O)C,
,,,TAR:A:502,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:503,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,3OHH,,,,,,,
,,,3HH:A:501,valid,ic50,=,18,nM,CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O,
,,,3HH:B:501,valid,ic50,=,18,nM,CCCCN(C)C(=O)n1cc(c2c1ccc(c2)C#N)C(=O)N[C@@H](Cc3cc(cc(c3)F)F)[C@@H](CNCc4cccc(c4)OC)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WB5,,,,,,,
,,,0B4:A:507,valid,Kd,=,26.8,uM,C[C@]1(CC(=O)N(C(=N1)N)C)[C@@H]2C[C@H]2c3ccccc3,
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,4RRO,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,3UX:A:502,valid,ic50,=,26,nM,C[C@@]12CCCO[C@H]1[C@@]3(c4cc(ccc4O2)c5cccnc5F)C(=O)N(C(=N3)N)C,
,,3CID,,,,,,,
,,,318:A:501,valid,ic50,=,5,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C,
,,,318:B:501,valid,ic50,=,5,nM,CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C(=O)N(CN3)Cc4ccccc4)O)C,
,,,TAR:A:503,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:502,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:504,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,3KMY,,,,,,,
,,,D8Y:A:501,valid,Kd,=,32,uM,c1cc(cc(c1)Cl)CCc2cccnc2N,
,,,D8Y:B:501,valid,Kd,=,32,uM,c1cc(cc(c1)Cl)CCc2cccnc2N,
,,5QD8,,,,,,,
,,,E6V:C:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C,
,,,E6V:B:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C,
,,,E6V:A:401,valid,,,,,C[C@@H]1CCCCCCCCC(=O)N([C@H](C(=O)N[C@@H](C1)[C@@H](CN[C@H]2CC(Oc3c2cc(cc3)C(C)C)(C)C)O)C)C,
,,4DJW,,,,,,,
,,,0KP:A:501,valid,Ki,=,0.53,uM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4,
,,,0KP:B:501,valid,Ki,=,0.53,uM,[H]/N=C/1N[C@](C(=O)N1C)(c2ccccc2)c3cccc(c3)c4cccnc4,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:503,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4ZSM,,,,,,,
,,,4RW:B:401,valid,,,,,C1CC[C@@H]2[C@H](C1)CSC(=N2)N,
,,,4RW:A:401,valid,,,,,C1CC[C@@H]2[C@H](C1)CSC(=N2)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5ENK,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:502,invalid,,,,,[I-],
,,,5QV:A:503,valid,ic50,=,8,nM,Cc1c(c(on1)C)[C@@H]2C[C@@](N=C(S2)N)(C)c3cc(c(cc3F)F)c4cncnc4,
,,3BUF,,,,,,,
,,,AEG:A:394,valid,Kd,=,800,uM,C[C@H](Cc1ccc(cc1)O)N,
,,4PZW,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,2X4:A:502,valid,ic50,=,0.11,uM,c1cc2c(cc1c3cc(cnc3)Cl)[C@@]4(COC(=N4)N)[C@@H]5CCOC[C@H]5O2,
,,2QZL,,,,,,,
,,,IXS:A:449,valid,ic50,=,8,nM,CC(C)CNC(=O)[C@H](C)NC[C@H](Cc1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c3ccc(cc3)F,
,,4RCD,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,3LL:A:501,valid,ic50,=,0.7,nM,CC1(COC1)C#Cc2cc3c(nc2)Oc4ccc(cc4[C@@]35COC(=N5)N)c6cccnc6F,
,,3WB4,,,,,,,
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,0B3:A:507,valid,Kd,=,36.6,uM,C[C@]1(CC(=O)N(C(=N1)N)C)CCc2ccccc2,
,,4XKX,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,43K:A:405,valid,ic50,=,0.9,nM,c1cc(c(nc1)F)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)c6ccnc(c6)F,
,,5DQC,,,,,,,
,,,5E7:C:401,valid,Ki,=,45.6,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O,
,,,5E7:B:401,valid,Ki,=,45.6,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O,
,,,5E7:A:401,valid,Ki,=,45.6,nM,C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN[C@@H]([C@H](C)O)C(=O)NCC(C)C)O,
,,4K9H,,,,,,,
,,,1QU:B:401,valid,ic50,=,0.076,uM,c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5,
,,,1QU:A:401,valid,ic50,=,0.076,uM,c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5,
,,,1QU:C:401,valid,ic50,=,0.076,uM,c1ccc(cc1)C[C@@H]([C@@H](CNCc2cccc(c2)C(F)(F)F)O)NC(=O)C3=CN(C(=O)C(=C3)N4CCCC4=O)C5CCCC5,
,Family. Representative Entry is ,6EJ2,,,,,,,
,,,B7E:A:901,valid,Ki,=,16,nM,C[C@H]1C[C@@]2(CC[C@@H]1OC)Cc3ccc(cc3[C@@]24COC(=N4)N)c5cncnc5,
,,6EJ3,,,,,,,
,,,B7T:A:501,valid,Ki,=,1179,nM,Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)C5(C3)CCC(CC5)OC,
1.8.98.2,,,,,,,,,
,Family. Representative Entry is ,3CYI,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2,invalid,,,,,[Mg+2],
,,1XW4,,,,,,,
,,,ADP:X:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.5.1.25,,,,,,,,,
,Family. Representative Entry is ,4BVA,,,,,,,
,,,T3:A:1314,valid,Kd,=,0.06,uM,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,,T3:B:1314,valid,Kd,=,0.06,uM,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,,K:A:1315,Part of Protein,,,,,[K+],
,,,K:B:1315,Part of Protein,,,,,[K+],
,,,NDP:A:1313,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1313,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4BV9,,,,,,,
,,,NDP:B:1312,valid,Kd,=,1.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1312,valid,Kd,=,1.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PYR:A:1313,valid,,,,,CC(=O)C(=O)O,
,,,GOL:B:1314,invalid,,,,,C(C(CO)O)O,
,,,EPE:B:1313,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
3.1.27.1,,,,,,,,,
,Family. Representative Entry is ,1UCD,,,,,,,
,,,U5P:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,URA:A:501,valid,,,,,C1=CNC(=O)NC1=O,
,,1UCA,,,,,,,
,,,U2P:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,1V9H,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U5P:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1UCC,,,,,,,
,,,U3P:A:300,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,1J1F,,,,,,,
,,,5GP:A:295,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1J1G,,,,,,,
,,,5GP:A:295,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:296,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1VD3,,,,,,,
,,,U2P:A:214,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,1VD1,,,,,,,
,,,AMP:A:295,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1VCZ,,,,,,,
,,,5GP:A:295,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:296,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
2.1.1.100,,,,,,,,,
,Family. Representative Entry is ,5V7P,,,,,,,
,,,D10:A:305,invalid,,,,,CCCCCCCCCC,
,,,D10:A:310,invalid,,,,,CCCCCCCCCC,
,,,D10:A:306,invalid,,,,,CCCCCCCCCC,
,,,D10:A:307,invalid,,,,,CCCCCCCCCC,
,,,D10:A:315,invalid,,,,,CCCCCCCCCC,
,,,D10:A:311,invalid,,,,,CCCCCCCCCC,
,,,D10:A:314,invalid,,,,,CCCCCCCCCC,
,,,D10:A:312,invalid,,,,,CCCCCCCCCC,
,,,D10:A:304,invalid,,,,,CCCCCCCCCC,
,,,D10:A:313,invalid,,,,,CCCCCCCCCC,
,,,D10:A:308,invalid,,,,,CCCCCCCCCC,
,,,MPG:A:321,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:317,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:320,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:325,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:316,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:318,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:319,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:322,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:323,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:324,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,UND:A:303,invalid,,,,,CCCCCCCCCCC,
,,,UND:A:302,invalid,,,,,CCCCCCCCCCC,
,,,UND:A:309,invalid,,,,,CCCCCCCCCCC,
2.7.4.16,,,,,,,,,
,Family. Representative Entry is ,3C9U,,,,,,,
,,,ADP:A:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:309,Part of Protein,,,,,[Mg+2],
,,,MG:A:310,Part of Protein,,,,,[Mg+2],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:A:313,Part of Protein,,,,,[Mg+2],
,,,MG:A:314,Part of Protein,,,,,[Mg+2],
,,,MG:B:309,Part of Protein,,,,,[Mg+2],
,,,MG:B:310,Part of Protein,,,,,[Mg+2],
,,,MG:B:311,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
,,,TPP:A:308,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:308,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3C9S,,,,,,,
,,,ACP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,3C9R,,,,,,,
,,,ATP:A:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:309,Part of Protein,,,,,[Mg+2],
,,,MG:A:310,Part of Protein,,,,,[Mg+2],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:B:309,Part of Protein,,,,,[Mg+2],
,,,MG:B:310,Part of Protein,,,,,[Mg+2],
,,,MG:B:311,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
1.13.11.5,,,,,,,,,
,Family. Representative Entry is ,3ZDS,,,,,,,
,,,OMD:J:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:K:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:D:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:B:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:E:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:I:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:G:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:H:2001,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,FE:A:2000,Part of Protein,,,,,[Fe+3],
,,,FE:E:2000,Part of Protein,,,,,[Fe+3],
,,,FE:K:2000,Part of Protein,,,,,[Fe+3],
,,,FE:C:2000,Part of Protein,,,,,[Fe+3],
,,,FE:L:2000,Part of Protein,,,,,[Fe+3],
,,,FE:B:2000,Part of Protein,,,,,[Fe+3],
,,,FE:J:2000,Part of Protein,,,,,[Fe+3],
,,,FE:D:2000,Part of Protein,,,,,[Fe+3],
,,,FE:F:2000,Part of Protein,,,,,[Fe+3],
,,,FE:I:2000,Part of Protein,,,,,[Fe+3],
,,,FE:H:2000,Part of Protein,,,,,[Fe+3],
,,,FE:G:2000,Part of Protein,,,,,[Fe+3],
,,,HMQ:F:2001,valid,,,,,C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO,
,,,HMQ:L:2001,valid,,,,,C1=C[C@@](C(=CC1=O)CC(=O)O)(O)OO,
,,,PO4:E:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,M8O:A:2001,valid,,,,,C(C(=O)CC(=O)O)C(=O)C=CC(=O)O,
,,,HQ9:C:2001,valid,,,,,C1=CC(=O)C=C([C@H]1O)CC(=O)O,
,,,OXY:C:1999,invalid,,,,,O=O,
,,4AQ6,,,,,,,
,,,FE:J:837,Part of Protein,,,,,[Fe+3],
,,,FE:I:837,Part of Protein,,,,,[Fe+3],
,,,FE:A:837,Part of Protein,,,,,[Fe+3],
,,,FE:G:837,Part of Protein,,,,,[Fe+3],
,,,FE:D:837,Part of Protein,,,,,[Fe+3],
,,,FE:H:837,Part of Protein,,,,,[Fe+3],
,,,FE:B:837,Part of Protein,,,,,[Fe+3],
,,,FE:C:837,Part of Protein,,,,,[Fe+3],
,,,FE:E:837,Part of Protein,,,,,[Fe+3],
,,,FE:F:837,Part of Protein,,,,,[Fe+3],
,,,FE:K:837,Part of Protein,,,,,[Fe+3],
,,,FE:L:837,Part of Protein,,,,,[Fe+3],
,,,OMD:C:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:A:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:B:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:F:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:E:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:I:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:J:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:L:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:D:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:H:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:K:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,OMD:G:838,valid,,,,,c1cc(c(cc1O)CC(=O)O)O,
,,,B3P:K:1436,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
1.11.1.15,,,,,,,,,
,Family. Representative Entry is ,2XPD,,,,,,,
,,,DTU:A:501,valid,,,,,C([C@H]([C@H](CS)O)O)S,
,Family. Representative Entry is ,3W6G,,,,,,,
,,,FLC:Q:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:P:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:H:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:N:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:M:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:R:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:G:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:T:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:O:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:K:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:S:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:J:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:L:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3HY2,,,,,,,
,,,ATP:X:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:Y:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:207,invalid,,,,,[Mg+2],
,,,MG:B:207,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2V2G,,,,,,,
,,,BEZ:A:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1220,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:1221,valid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:A:1223,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1221,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1223,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1224,invalid,,,,,C(C(CO)O)O,
,,2V41,,,,,,,
,,,BEZ:A:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:1218,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:E:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:F:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:G:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:H:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,2V32,,,,,,,
,,,BEZ:A:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1220,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:1222,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:1221,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,6KRS,,,,,,,
,,,CIT:C:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:H:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:I:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:J:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
1.2.1.26,,,,,,,,,
,Family. Representative Entry is ,5X5U,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
1.8.4.14,,,,,,,,,
,Family. Representative Entry is ,3MMH,,,,,,,
,,,ACT:A:178,invalid,,,,,CC(=O)[O-],
,,,ACT:A:179,invalid,,,,,CC(=O)[O-],
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,,MG:A:170,Part of Protein,,,,,[Mg+2],
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,,MG:A:172,Part of Protein,,,,,[Mg+2],
,,,MG:A:173,Part of Protein,,,,,[Mg+2],
,,,MG:A:174,Part of Protein,,,,,[Mg+2],
,,,MG:A:175,Part of Protein,,,,,[Mg+2],
,,,MG:B:169,Part of Protein,,,,,[Mg+2],
,,,MG:B:170,Part of Protein,,,,,[Mg+2],
,,,MRD:A:176,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:177,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:171,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:172,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,SME:A:168,valid,,,,,C[S@@](=O)CC[C@@H](C(=O)O)N,
,,,SME:B:168,valid,,,,,C[S@@](=O)CC[C@@H](C(=O)O)N,
5.1.3.11,,,,,,,,,
,Family. Representative Entry is ,3WKG,,,,,,,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,BMA BGC:B:1,valid,,,,,,
,,3WKI,,,,,,,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GLO BGC:B:1,valid,,,,,O=CC(O)C(O)C(OC1C(O)C(O)C(O)C(CO)O1)C(O)CO,
,,3WKH,,,,,,,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BMA GAL:B:1,valid,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
3.4.24.80,,,,,,,,,
,Family. Representative Entry is ,5H0U,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:314,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,HIS HIS HIS HIS HIS HIS:B:28,valid,,,,,,
,,,EPE:A:305,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
2.1.3.1,,,,,,,,,
,Family. Representative Entry is ,1RQH,,,,,,,
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,PYR:A:602,valid,,,,,CC(=O)C(=O)O,
,,1RR2,,,,,,,
,,,2KT:A:530,valid,,,,,CCC(=O)C(=O)O,
,,,CO:A:529,Part of Protein,,,,,[Co+2],
,,1RQE,,,,,,,
,,,CO:A:530,Part of Protein,,,,,[Co+2],
,,,OAA:A:529,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,Family. Representative Entry is ,1ON3,,,,,,,
,,,CD:A:7001,invalid,,,,,[Cd+2],
,,,CD:B:7002,invalid,,,,,[Cd+2],
,,,CD:C:7003,invalid,,,,,[Cd+2],
,,,DXX:A:5001,valid,,,,,CC(C(=O)O)C(=O)O,
,,,DXX:B:5002,valid,,,,,CC(C(=O)O)C(=O)O,
,,,DXX:C:5003,valid,,,,,CC(C(=O)O)C(=O)O,
,,,DXX:D:5004,valid,,,,,CC(C(=O)O)C(=O)O,
,,,DXX:E:5005,valid,,,,,CC(C(=O)O)C(=O)O,
,,,DXX:F:5006,valid,,,,,CC(C(=O)O)C(=O)O,
,,,MCA:A:4001,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:B:4002,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:C:4003,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:D:4004,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:E:4005,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:F:4006,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MPD:A:6001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:6002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:6006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1ON9,,,,,,,
,,,CD:A:7001,invalid,,,,,[Cd+2],
,,,CD:B:7002,invalid,,,,,[Cd+2],
,,,CD:C:7003,invalid,,,,,[Cd+2],
,,,MCA:A:4001,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:B:4002,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:C:4003,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:D:4004,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:E:4005,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:F:4006,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MPD:F:6006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
3.4.21.62,,,,,,,,,
,Family. Representative Entry is ,1TK2,,,,,,,
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CA:A:1277,Part of Protein,,,,,[Ca+2],
,,,VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)Cc2ccccc2)CC(C)C)CCC[NH3+])C(C)C)CCC1)Cc1ccccc1)CC(C)C)CCC[NH3+])C([NH3+])C(C)C,
,Family. Representative Entry is ,1SUA,,,,,,,
,,,ALA LEU ALA LEU:C:674,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)C)CC(C)C,
,,5OX2,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAL GLU GLU ASP HIS VAL ALA HIS ALA:P:68,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)Cc1nc[nH]c1)C)C(C)C)Cc1nc[nH]c1)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C([NH3+])C(C)C,
5.99.1.-,,,,,,,,,
,Family. Representative Entry is ,4URL,,,,,,,
,,,XAM:B:2000,valid,ic50,=,500,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl,
,,,XAM:A:2000,valid,ic50,=,500,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H](C)[C@@]2(C[C@@H](O[C@@H]([C@H]2O)C)O[C@@H]3CCC(=C)[C@H]4[C@H]3C=C[C@@H]([C@@H]4C(=O)C5=C([C@@H](N(C5=O)[C@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)C)OC(=O)N)OC(=O)C)OC)C(C)C)O)C)O)Cl)Cl,
,Family. Representative Entry is ,1S16,,,,,,,
,,,ANP:A:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:2501,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4URN,,,,,,,
,,,NOV:C:2000,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:B:2000,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:A:2000,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,Family. Representative Entry is ,4HZ0,,,,,,,
,,,1AV:B:301,valid,,,,,c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4,
,,,1AV:A:301,valid,,,,,c1cc(cnc1)c2nc3c(nc(nc3s2)N)n4ccnc4,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1S14,,,,,,,
,,,NOV:A:1300,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:B:2300,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,Family. Representative Entry is ,4EMV,,,,,,,
,,,0R9:A:301,valid,ic50,=,0.005,uM,CCNC(=O)c1cc2c(c(cnc2[nH]1)c3cc(cnc3)C(=O)O)n4ccc(n4)C(F)(F)F,
,,4LP0,,,,,,,
,,,1YM:A:301,valid,ic50,<,10,nM,CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C(=O)O)c3nc(cs3)C(F)(F)F,
,,4MB9,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,28F:A:302,valid,,,,,CCNC(=O)Nc1nc2cc(c(nc2s1)OC[C@@H]3CCOC3)c4cncnc4,
,,4MBC,,,,,,,
,,,28G:A:301,valid,,,,,C=CCNC(=O)Nc1nc2cc(c(nc2s1)OCCN3CCOCC3)c4cccnc4,
,,4LPB,,,,,,,
,,,1YP:A:301,valid,ic50,<,10,nM,CCNC(=O)Nc1cc(c(cn1)c2cc(cnc2)C3=NNC(=O)O3)c4nc(cs4)C(F)(F)F,
,,4MOT,,,,,,,
,,,2B7:A:301,valid,,,,,CC(C)CCN1c2c(nc(s2)NC(=O)NCC=C)C=C(C1=O)c3cccnc3,
,,4EM7,,,,,,,
,,,0RA:A:301,valid,ic50,=,7.7,uM,c1cc(cc(c1)c2cc3cc[nH]c3nc2)CCC(=O)O,
2.1.1.146,,,,,,,,,
,Family. Representative Entry is ,3TKY,,,,,,,
,,,N7I:A:369,valid,,,,,COc1cc(ccc1O)/C=C/CO,
,,,N7I:B:369,valid,,,,,COc1cc(ccc1O)/C=C/CO,
,,,N7I:C:369,valid,,,,,COc1cc(ccc1O)/C=C/CO,
,,,N7I:D:369,valid,,,,,COc1cc(ccc1O)/C=C/CO,
,,,SAH:A:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.10.9.1,,,,,,,,,
,Family. Representative Entry is ,4OGQ,,,,,,,
,,,8K6:A:308,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:307,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:306,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:B:202,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,2WA:F:101,valid,,,,,CCCCCCCCCCCCCC[C@@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCC)O,
,,,SQD:D:204,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COC1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,CLA:B:204,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,UMQ:D:201,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:B:201,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:A:304,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:B:203,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:101,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,HEM:A:303,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:302,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7PH:A:305,invalid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:D:203,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:C:303,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:B:206,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,7PH:F:104,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)O,
,,,2WD:D:206,valid,,,,,CCCCC[C@H](O)OC[C@H](CO)O[C@H](CCCC)O,
,,,1O2:F:103,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=CCCCCCCCC,
,,,OCT:F:102,invalid,,,,,CCCCCCCC,
,,,3WM:E:101,valid,,,,,CCCCCCCCC/C=CCCCCCC[C@H](O)OC[C@H](CO)O[C@@H](CCCCCC/C=C/CCCCCCCCC)O,
,,,BCR:G:102,valid,,,,,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(/C)C=CC=C(/C)C=CC2=C(CCCC2(C)C)C)C)C,
,,,OPC:B:205,valid,,,,,CCCCCCCCCC=C/CCCCCCC(=O)OC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCCCCCCCCC,
,,,FES:D:205,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,2WM:A:309,valid,,,,,CCCCCCCCCCCCCCCCC[C@@H](O)O[C@@H](CO)CO[C@@H](CCCCCC/C=C/CCCCCCCCC)O,
,,,MYS:D:202,invalid,,,,,CCCCCCCCCCCCCCC,
,,,CD:C:302,invalid,,,,,[Cd+2],
6.3.5.2,,,,,,,,,
,Family. Representative Entry is ,1GPM,,,,,,,
,,,AMP:A:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CIT:A:529,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:529,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:529,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:529,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MG:B:530,invalid,,,,,[Mg+2],
,,,MG:C:530,invalid,,,,,[Mg+2],
,,,MG:D:530,invalid,,,,,[Mg+2],
,,,PO4:A:528,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:528,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:528,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:528,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POP:A:526,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:526,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:526,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:526,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
3.1.3.48,,,,,,,,,
,Family. Representative Entry is ,2CNE,,,,,,,
,,,BOG:A:1284,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DFJ:A:1281,valid,ic50,=,1.7,nM,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N)NC(=O)Cc3ccc(cc3)C(F)(F)P(=O)(O)O,
,,,SO4:A:1282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1L8G,,,,,,,
,,,DBD:A:322,valid,,,,,c1ccc2c(c1)C(=NS2(=O)=O)OC[C@H]3c4c(c(c(s4)NC(=O)C(=O)O)C(=O)O)CCO3,
,,2CNI,,,,,,,
,,,IZF:A:1301,valid,ic50,=,21,nM,COC(=O)c1c(cccc1OCCCCCNC(=O)[C@H](Cc2ccc(c(c2)Cl)[C@@H]3CC(=O)NS3(=O)=O)NS(=O)(=O)c4ccccc4)O,
,,,MG:A:1302,invalid,,,,,[Mg+2],
,,2F6Y,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,ENT:A:608,valid,ic50,=,134.8,uM,CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@@H]1C(=O)NC)NS(=O)(=O)O,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,2F6T,,,,,,,
,,,1C2:A:608,valid,Ki,=,24,uM,CC(C)(C)OC(=O)N1Cc2cc(ccc2C[C@H]1C(=O)NC)NS(=O)(=O)O,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,1NL9,,,,,,,
,,,989:A:322,valid,,,,,CCCCCNC(=O)[C@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)C,
,,2CM7,,,,,,,
,,,IZD:A:1299,valid,ic50,=,210,nM,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N,
,,1C83,,,,,,,
,,,OAI:A:301,valid,Ki,=,14,uM,c1c[nH]c2c1cc(c(c2)NC(=O)C(=O)O)C(=O)O,
,,2AZR,,,,,,,
,,,982:A:301,valid,Ki,=,230,uM,c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O,
,,1PH0,,,,,,,
,,,418:A:322,valid,,,,,COC(=O)c1c(cccc1OCCCCNC(=O)[C@H](Cc2ccc(cc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)NC(=O)OCC=C)O,
,,1Q6N,,,,,,,
,,,CL:A:6001,invalid,,,,,[Cl-],
,,,CL:B:6002,invalid,,,,,[Cl-],
,,,MG:A:5000,invalid,,,,,[Mg+2],
,,,MG:A:5010,invalid,,,,,[Mg+2],
,,,MG:B:5020,invalid,,,,,[Mg+2],
,,,MG:B:5030,invalid,,,,,[Mg+2],
,,,P90:A:801,valid,ic50,=,0.023,uM,c1ccc(cc1)C=CC[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5,
,,,P90:B:1301,valid,ic50,=,0.023,uM,c1ccc(cc1)C=CC[C@@](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5,
,,1Q6S,,,,,,,
,,,214:A:801,valid,ic50,=,12,nM,Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6,
,,,214:B:1301,valid,ic50,=,12,nM,Cc1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6,
,,,CL:A:2011,invalid,,,,,[Cl-],
,,,CL:B:2012,invalid,,,,,[Cl-],
,,,CL:B:2013,invalid,,,,,[Cl-],
,,,MG:A:4000,invalid,,,,,[Mg+2],
,,,MG:B:5000,invalid,,,,,[Mg+2],
,,,MPD:A:6000,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1KAK,,,,,,,
,,,FNP:A:301,valid,ic50,=,26,uM,c1cc(cc2c1ccc(c2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O,
,,2HB1,,,,,,,
,,,512:A:800,valid,Ki,=,160,uM,c1c(c(c(s1)C(=O)O)OCC(=O)O)Br,
,,1PTV,,,,,,,
,,,PTR:A:322,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,1BZH,,,,,,,
,,,ASP ALA ASP GLU FLT LEU AEA:I:401,valid,Ki,=,0.17,uM,FC(Oc1ccc(CC2C(=O)NC(CC(C)C)C(=O)NC(C(=O)N)CSCC(=O)NC(CC(=O)[O-])C(=O)NC(C)C(=O)NC(CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)N2)cc1)(C(=O)[O-])C(=O)[O-],
,,1XBO,,,,,,,
,,,IX1:A:322,valid,Ki,=,0.92,uM,COC(=O)c1c(cccc1OCC=Cc2cccc(c2)c3c(c(no3)C(=O)O)CO)O,
,,2F6Z,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,UN5:A:608,valid,ic50,=,4.8,uM,CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)NS(=O)(=O)O)NS(=O)(=O)O,
,,2CMA,,,,,,,
,,,F20:A:1299,valid,ic50,=,185,nM,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)[C@@H]3CC(=O)NS3(=O)=O)C(=O)N)NC(=O)c4ccccc4,
,,1PTY,,,,,,,
,,,MG:A:322,invalid,,,,,[Mg+2],
,,,PTR:A:323,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,,PTR:A:324,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,1C88,,,,,,,
,,,OTA:A:301,valid,Ki,=,5.1,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,1ECV,,,,,,,
,,,878:A:301,valid,Ki,=,14,uM,c1cc(c(cc1I)C(=O)O)NC(=O)C(=O)O,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,2F6V,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,SK2:A:608,valid,ic50,=,37,uM,CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)OCc3ccccc3)NS(=O)(=O)O,
,,2CNF,,,,,,,
,,,F32:A:1299,valid,ic50,=,240,nM,c1ccc2c(c1)[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)Nc5nc6ccccc6s5,
,,,MG:A:1300,invalid,,,,,[Mg+2],
,,1ONZ,,,,,,,
,,,968:A:322,valid,,,,,c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O,
,,2QBS,,,,,,,
,,,024:A:800,valid,Ki,=,0.21,uM,c1cc(cc(c1)NC2CCCCC2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br,
,,2VEV,,,,,,,
,,,IZ2:A:1300,valid,ic50,=,300,nM,c1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F,
,,,MG:A:1301,invalid,,,,,[Mg+2],
,,4Y14,,,,,,,
,,,TRS:A:405,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,C0A:B:404,valid,Ki,=,40,nM,CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C,
,,,C0A:A:407,valid,Ki,=,40,nM,CNC(=O)[C@H](Cc1ccc(c(c1)Br)C(F)(F)P(=O)(O)O)NS(=O)(=O)C,
,,1ONY,,,,,,,
,,,588:A:322,valid,,,,,CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C=CC(=O)N)N(c2ccccc2C(=O)O)C(=O)C(=O)O)NS(=O)(=O)C,
,,1NNY,,,,,,,
,,,515:A:322,valid,,,,,CC(=O)N[C@@H](Cc1ccc(c2c1cccc2)N(c3ccccc3C(=O)O)C(=O)C(=O)O)C(=O)NCCCCCOc4cc5ccccc5cc4C(=O)O,
,,2ZN7,,,,,,,
,,,410:A:300,valid,Ki,=,13,nM,c1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4,
,,2VEU,,,,,,,
,,,IZ1:A:1299,valid,ic50,=,100,nM,c1ccc(cc1)c2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F,
,,1JF7,,,,,,,
,,,TBH:B:800,valid,,,,,CCCCCN[C@@H]([C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)N[C@H]([C@H](Cc2ccccc2)N[C@@H](O)OC(C)(C)C)O)O,
,,5KAD,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,TRS:B:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OTA:A:401,valid,Kd,=,37,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,OTA:B:401,valid,Kd,=,37,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5KA3,,,,,,,
,,,OTA:A:401,valid,Kd,=,26,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,3EAX,,,,,,,
,,,LZP:A:322,valid,Ki,=,12,uM,c1ccc(cc1)COc2cccc(c2)C(=O)CC(=O)C(=O)N3CCN(CC3)C(=O)C(=O)CC(=O)c4cccc(c4)OCc5ccccc5,
,,1QXK,,,,,,,
,,,429:A:322,valid,Ki,=,9,uM,CC(=O)N[C@@H](Cc1ccc(c(c1)O)OCC(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O,
,,2QBR,,,,,,,
,,,910:A:800,valid,Ki,=,0.47,uM,c1ccc(cc1)CNc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br,
,,1T48,,,,,,,
,,,BB3:A:299,valid,ic50,=,350,uM,CCc1c(c2ccc(cc2o1)S(=O)(=O)N(C)C)C(=O)c3cc(c(c(c3)Br)O)Br,
,,1PYN,,,,,,,
,,,941:A:322,valid,Ki,=,3.2,uM,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)C(=O)NCCCCOc2cccc(c2C(=O)OC)O,
,,2FJN,,,,,,,
,,,073:A:401,valid,ic50,=,39,nM,COC(=O)c1ccc(cc1)[C@@](CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4,
,,,073:B:402,valid,ic50,=,39,nM,COC(=O)c1ccc(cc1)[C@@](CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4,
,,,CL:A:799,invalid,,,,,[Cl-],
,,,CL:B:799,invalid,,,,,[Cl-],
,,2F71,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,UN7:A:608,valid,ic50,=,2.5,uM,CNC(=O)[C@@H]1Cc2ccc(cc2CN1C(=O)CCc3cccc(c3)C(=O)O)NS(=O)(=O)O,
,,1Q6P,,,,,,,
,,,213:A:801,valid,ic50,=,3,nM,c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5,
,,,213:B:1301,valid,ic50,=,3,nM,c1ccc(cc1)[C@@](Cc2ccc(cc2)c3cccc(c3)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)n5c6ccccc6nn5,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,1WAX,,,,,,,
,,,LO1:A:1300,valid,ic50,=,86,uM,c1cc(ccc1CN)NC(=O)C(=O)O,
,,,MG:A:1299,Part of Protein,,,,,[Mg+2],
,,2CNH,,,,,,,
,,,CA:A:1299,invalid,,,,,[Ca+2],
,,,IZB:A:1300,valid,ic50,=,59,nM,CN1CCOc2c1ccc(c2)S(=O)(=O)N[C@@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)c5[nH]c6ccccc6n5,
,,1Q6T,,,,,,,
,,,600:A:801,valid,ic50,=,5,nM,CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC,
,,,600:B:1301,valid,ic50,=,5,nM,CC(C)C[C@@H](c1ccc2cc(cc(c2n1)P(=O)(O)O)c3ccc(cc3)C[C@@](Cc4ccc(cc4)C(F)(F)P(=O)(O)O)(c5ccccc5)n6c7ccccc7nn6)OC,
,,,MG:A:6000,invalid,,,,,[Mg+2],
,,,MG:B:5000,invalid,,,,,[Mg+2],
,,2VEX,,,,,,,
,,,IZ4:A:1300,valid,ic50,=,130,nM,c1ccc(cc1)CC[C@@H]2CNC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F,
,,,MG:A:1301,invalid,,,,,[Mg+2],
,,1Q6J,,,,,,,
,,,335:A:301,valid,ic50,=,0.016,uM,c1ccc(cc1)C(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4,
,,3EB1,,,,,,,
,,,LZQ:A:322,valid,Ki,=,16.3,uM,c1ccc(cc1)CN(Cc2ccccc2)c3cccc(c3)C(=O)CC(=O)C(=O)O,
,,1G7F,,,,,,,
,,,INZ:A:500,valid,Ki,=,3.4,uM,CCCCCNC(=O)[C@H](Cc1ccc(cc1)OC(C(=O)O)C(=O)O)NC(=O)N[C@@H](Cc2ccccc2)C(=O)O,
,,2ZMM,,,,,,,
,,,35B:A:307,valid,Ki,=,25,nM,CNC(=O)N(c1cccc(c1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)C3CCCCC3,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,MG  CL:A:300,invalid,,,,,,
,,1AAX,,,,,,,
,,,BPM:A:402,valid,,,,,c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O,
,,,BPM:A:403,valid,,,,,c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,1BZC,,,,,,,
,,,TPI:A:902,valid,Ki,=,12,uM,c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,2QBQ,,,,,,,
,,,4B3:A:800,valid,Ki,=,0.036,uM,CC1(CC(CC(C1)(C)C)Nc2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C,
,,5K9W,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,OTA:A:402,valid,Kd,=,26,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6B8Z,,,,,,,
,,,FRJ:A:301,valid,,,,,CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br,
,,2CMC,,,,,,,
,,,BOG:A:1283,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DFM:A:1281,valid,ic50,=,1750,nM,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N,
,,,SO4:A:1282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CMB,,,,,,,
,,,BOG:A:1283,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,F17:A:1282,valid,ic50,=,65,nM,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)C3=CC(=O)NS3(=O)=O)C(=O)N)NC(=O)Cc4ccc(cc4)C5=CC(=O)NS5(=O)=O,
,,2F70,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,UN6:A:608,valid,ic50,=,33.5,uM,c1cc(cc(c1)NS(=O)(=O)O)CCC(=O)NCc2cccc(c2)NS(=O)(=O)O,
,,1KAV,,,,,,,
,,,FEP:A:301,valid,Ki,=,1.5,uM,c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O,
,,2NT7,,,,,,,
,,,902:A:800,valid,Ki,=,0.3,uM,c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)c5n[nH]nn5)OCC(=O)O)Br,
,,1C87,,,,,,,
,,,OPA:A:301,valid,Ki,=,63,uM,C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,5KAB,,,,,,,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:307,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,OTA:A:306,valid,,,,,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,2H4K,,,,,,,
,,,509:A:300,valid,Ki,=,3.2,uM,c1ccc(cc1)c2c(c(c(s2)C(=O)O)OCC(=O)O)Br,
,,1G7G,,,,,,,
,,,INX:A:600,valid,Ki,=,0.25,uM,CCCCCNC(=O)[C@H](Cc1ccc(c(c1)C(=O)O)OCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC(=O)O,
,,5T19,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,73U:A:402,valid,,,,,Cc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccc(cc3)NC,
,,1C86,,,,,,,
,,,OPA:A:301,valid,Ki,=,20,uM,C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,2H4G,,,,,,,
,,,694:A:300,valid,Ki,=,0.3,uM,c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O,
,,5KA1,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,TRS:A:306,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OTA:A:301,valid,Kd,=,33,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,2BGE,,,,,,,
,,,T2D:A:1298,valid,ic50,=,1608,uM,c1ccc(cc1)N2CC(=O)NS2(=O)=O,
,,1PXH,,,,,,,
,,,ACY:A:402,invalid,,,,,CC(=O)O,
,,,ACY:A:403,invalid,,,,,CC(=O)O,
,,,MG:A:322,invalid,,,,,[Mg+2],
,,,MG:A:323,invalid,,,,,[Mg+2],
,,,SNA:A:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NCCCCCC(=O)N[C@H](CS)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(F)(F)P(=O)(O)O,
,,2QBP,,,,,,,
,,,527:A:800,valid,Ki,=,0.004,uM,c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3cccc(c3)c4c(c(c(s4)C(=O)O)OCC(=O)O)Br,
,,1Q6M,,,,,,,
,,,P27:A:301,valid,ic50,=,0.013,uM,c1ccc2c(c1)nnn2C(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)(Cc4ccc(cc4)C(F)(F)P(=O)(O)O)c5ccc(c(c5)F)F,
,,2VEW,,,,,,,
,,,IZ3:A:1299,valid,ic50,=,64,nM,c1ccc(c(c1)CC2=C=NC(=N2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F)F,
,,,MG:A:1300,invalid,,,,,[Mg+2],
,,2B07,,,,,,,
,,,598:A:301,valid,Ki,=,0.37,uM,c1ccc(cc1)CS(=O)(=O)N2CCC(CC2)Nc3ccc4c(c3)sc5c4sc(c5OCC(=O)O)C(=O)O,
,,3I7Z,,,,,,,
,,,ASP ALA ASP GLU TYR LEU:B:988,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:325,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:323,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:323,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,VO4:A:322,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1EEN,,,,,,,
,,,ACY:A:323,invalid,,,,,CC(=O)O,
,,,ACY:A:324,invalid,,,,,CC(=O)O,
,,,ALA ASP PBF PTR LEU ILE PRO:B:1,valid,,,,,P(=O)(Oc1ccc(CC(N=CC(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)C(CC)C)CC(C)C)cc1)([O-])[O-],
,,,MG:A:322,invalid,,,,,[Mg+2],
,,1LQF,,,,,,,
,,,BGD:A:802,valid,,,,,c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N,
,,,BGD:B:803,valid,,,,,c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N,
,,,BGD:C:804,valid,,,,,c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N,
,,,BGD:D:805,valid,,,,,c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N,
,,2BGD,,,,,,,
,,,CL:A:1299,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,NA:A:1303,invalid,,,,,[Na+],
,,,PO4:A:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,T1D:A:1298,valid,ic50,=,2.47,uM,COc1ccc(cc1N2CC(=O)NS2(=O)=O)c3ccccc3,
,,1T49,,,,,,,
,,,892:A:301,valid,ic50,=,22,uM,CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(=O)(=O)N)C(=O)c4cc(c(c(c4)Br)O)Br,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,2NTA,,,,,,,
,,,521:A:301,valid,Ki,=,16,uM,c1ccc(cc1)c2c(c(cs2)N3CC(=O)NS3(=O)=O)Cl,
,,1NWL,,,,,,,
,,,964:A:501,valid,,,,,CC(=O)NCCSSCCNC(=O)C1CCC(CC1)NC(=O)c2c(nccn2)C(=O)O,
,,,MG:A:901,invalid,,,,,[Mg+2],
,,2VEY,,,,,,,
,,,IZ5:A:1300,valid,ic50,=,43,nM,c1ccc(cc1)CCCc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)F,
,,5KA7,,,,,,,
,,,OTA:A:303,valid,Kd,=,45,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,2FJM,,,,,,,
,,,073:A:800,valid,ic50,=,142,nM,COC(=O)c1ccc(cc1)[C@@](CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4,
,,,073:B:801,valid,ic50,=,142,nM,COC(=O)c1ccc(cc1)[C@@](CC=Cc2ccccc2)(Cc3ccc(cc3)C(F)(F)P(=O)(O)O)n4c5ccccc5nn4,
,,,CL:A:799,invalid,,,,,[Cl-],
,,,CL:B:799,invalid,,,,,[Cl-],
,,,MG:B:800,invalid,,,,,[Mg+2],
,,1GFY,,,,,,,
,,,COL:A:301,valid,,,,,C1CSCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,1NZ7,,,,,,,
,,,901:A:322,valid,,,,,CCc1cc(ccc1N(c2ccccc2C(=O)O)C(=O)C(=O)O)C[C@@H](C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)O)NC(=O)C,
,,3CWE,,,,,,,
,,,825:A:784,valid,ic50,=,0.12,uM,c1ccc(cc1)[C@@H](Cc2ccc(c(c2)Br)C(F)(F)P(=O)(O)O)C(=O)c3ccccc3,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,,MG:A:2,invalid,,,,,[Mg+2],
,,,MG:A:3,invalid,,,,,[Mg+2],
,,2CNG,,,,,,,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,IZE:A:1299,valid,ic50,=,110,nM,c1cc(ccc1C[C@@H](c2[nH]c3ccc(cc3n2)C(F)(F)F)NC(=O)C(F)(F)F)[C@@H]4CC(=O)NS4(=O)=O,
,,,MG:A:1300,invalid,,,,,[Mg+2],
,,2CM8,,,,,,,
,,,F16:A:1299,valid,ic50,=,1350,nM,c1cc(cc(c1)O)C2=CC(=O)NS2(=O)=O,
,,,MG:A:1300,invalid,,,,,[Mg+2],
,,1BZJ,,,,,,,
,,,PIC:A:301,valid,Ki,=,22,uM,c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O)O,
,,2F6W,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,UN3:A:608,valid,,,,,Cn1c(cc(n1)c2ccccc2)NS(=O)(=O)O,
,,1NO6,,,,,,,
,,,794:A:322,valid,,,,,c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O,
,,1C84,,,,,,,
,,,761:A:301,valid,Ki,=,9.9,uM,c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O,
,,5KA9,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,OTA:A:307,valid,Kd,=,39,uM,C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:306,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3F81,,,,,,,
,,,STT:A:1,valid,ic50,=,0.074,uM,c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5C(=O)N(C(=S)S5)CCS(=O)(=O)O,
,,,STT:B:1,valid,ic50,=,0.074,uM,c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)Oc4ccccc4F)/C=C/5C(=O)N(C(=S)S5)CCS(=O)(=O)O,
,Family. Representative Entry is ,4GE6,,,,,,,
,,,B26:A:601,valid,Ki,=,34,nM,Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N[C@H](CNC(=O)Cc4ccc(c(c4)OC)O)C(=O)N,
,,4GE5,,,,,,,
,,,A89:A:601,valid,ic50,=,0.27,uM,Cc1cc(ccc1Br)C(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c3cccc(c3)I)C(=O)N,
,,4GE2,,,,,,,
,,,75A:A:601,valid,ic50,=,0.9,uM,CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@@H](CCCNC(=O)c2cccc(c2)I)C(=O)N,
,Family. Representative Entry is ,3D44,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:A:4,invalid,,,,,[Cl-],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,LEU ASP GLU PTR VAL ALA THR ARG:B:183,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C=O)C(C)C)cc1)([O-])[O-],
,,3O4U,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,SRT:A:2,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3D42,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,LEU THR GLU PTR VAL ALA THR ARG:B:183,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(N)C(O)C)CCC(=O)[O-])C(=O)NC(C=O)C(C)C)cc1)([O-])[O-],
,,,TAR:A:1,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3TL0,,,,,,,
,,,ARG LEU ASN PTR ALA GLN LEU TRP HIS ARG:B:200,valid,Kd,=,0.26,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(N)CC(C)C)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(C)C)C)C)cc1)([O-])[O-],
,,,SO4:A:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TKZ,,,,,,,
,,,ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG:P:2,valid,Kd,=,1.2,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(N)C(C)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)C(C)C)Cc2ccccc2)cc1)([O-])[O-],
,,,ARG VAL ILE PTR PHE VAL PRO LEU ASN ARG:Q:2,valid,Kd,=,1.2,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(N)C(C)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)C(C)C)Cc2ccccc2)cc1)([O-])[O-],
,Family. Representative Entry is ,3O5X,,,,,,,
,,,JZG:A:1,valid,ic50,=,5.5,uM,Cn1c2cc(c(cc2c(c1c3ccccc3)c4cn(nn4)CCC(=O)Nc5ccc(cc5)c6ccccc6)C(=O)O)O,
,,4RDD,,,,,,,
,,,3LU:A:600,valid,ic50,=,16.8,uM,c1ccc(cc1)[C@H](C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccccc3)C(=O)O)C(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,6H8S,,,,,,,
,,,FSZ:A:601,valid,,,,,[H]/N=C(/N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2,
,Family. Representative Entry is ,5E5U,,,,,,,
,,,1PS:A:402,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:402,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:401,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:401,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,MLI:A:405,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLT:B:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:403,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:401,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:C:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,ACY:D:402,invalid,,,,,CC(=O)O,
,,,ACY:B:401,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,2I6O,,,,,,,
,,,ASN LYS PTR GLY ASN CA:B:171,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCC[NH3+])C(=O)NCC(=O)NC(C(=O)[O-])CC(=O)N)cc1)([O-])[O-].[Ca+2],
,,,IMD:B:1305,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1306,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1307,invalid,,,,,c1c[nH+]c[nH]1,
,,,PG4:A:901,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:900,invalid,,,,,C(COCCOCCOCCO)O,
,,2DXP,,,,,,,
,,,ALA PTR ARG:B:170,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)cc1)([O-])[O-],
,,2I6P,,,,,,,
,,,4NP:A:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,Family. Representative Entry is ,4RH5,,,,,,,
,,,PHE SER ALA PTR PRO SER GLU GLU ASP:B:846,valid,Kd,=,127.3,nM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)C)C(=O)N2C(C(=O)NC(C=O)CO)CCC2)cc1)([O-])[O-],
,,4S0G,,,,,,,
,,,PHE SER ALA PTR VAL SER GLU GLU ASP:B:846,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)C)C(=O)NC(C(=O)NC(C=O)CO)C(C)C)cc1)([O-])[O-],
,,4RH9,,,,,,,
,,,PHE SER ALA PTR PRO SER GLU GLU ASP:B:846,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)C)C(=O)N2C(C(=O)NC(C=O)CO)CCC2)cc1)([O-])[O-],
,,4RHG,,,,,,,
,,,PHE SER ALA PTR PRO SER GLU GLU ASP:B:846,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)C)C(=O)N2C(C(=O)NC(C=O)CO)CCC2)cc1)([O-])[O-],
,Family. Representative Entry is ,5KQG,,,,,,,
,,,6VX:A:200,valid,Ki,=,3.2,uM,c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O,
,,5KQL,,,,,,,
,,,6VY:A:200,valid,,,,,c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O,
,,4Z9B,,,,,,,
,,,B85:A:301,valid,,,,,c1ccc(cc1)CP(=O)(O)O,
,Family. Representative Entry is ,4WH9,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,3M8:A:601,valid,ic50,=,2.2,mM,c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O,
,,4WH7,,,,,,,
,,,8H8:A:607,valid,ic50,>,5,mM,c1cc(c(cc1O)F)C#N,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,7JVM,,,,,,,
,,,VKS:A:601,valid,ic50,=,0.011,uM,C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N,
,,,VKS:B:601,valid,ic50,=,0.011,uM,C[C@H]1[C@H](C2(CCN(CC2)c3cnc(c(n3)N)Sc4ccnc(c4Cl)N)CO1)N,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6BMU,,,,,,,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DZV:A:602,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl,
,,,DZV:B:602,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl,
,,,5OD:A:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,,5OD:B:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,6BMX,,,,,,,
,,,DYV:A:601,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O,
,,,DYV:B:601,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,6MDD,,,,,,,
,,,JE7:A:601,valid,ic50,=,47,uM,c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N,
,,,JE7:B:601,valid,ic50,=,47,uM,c1cc(c(c(c1)Cl)Cl)Sc2ccc3c(n2)[nH]c(n3)N,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6BMV,,,,,,,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DZS:A:601,valid,,,,,c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl,
,,,DZS:B:601,valid,,,,,c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl,
,,6MD9,,,,,,,
,,,JEJ:B:601,valid,,,,,CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C,
,,,JEJ:A:601,valid,,,,,CN1C(=Cc2c(c(no2)c3ccccc3Cl)C1=O)c4ccc(cc4)CN(C)C,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6BN5,,,,,,,
,,,DZJ:B:601,valid,,,,,c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O,
,,,DZJ:A:601,valid,,,,,c1ccc(cc1)CC2=C(N=C3N(C2=O)c4ccc(cc4S3)Cl)O,
,,6BMY,,,,,,,
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DYV:A:602,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O,
,,,DYV:B:602,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccc(cc5Cl)C(=O)N6CCC[C@H]6C(=O)O,
,,,5OD:A:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,,5OD:B:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,6MDC,,,,,,,
,,,JEA:B:601,valid,ic50,=,0.036,uM,C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N,
,,,JEA:A:601,valid,ic50,=,0.036,uM,C[C@H]1[C@H](C2(CCN(CC2)C3=Nc4c(c([nH]n4)c5ccnc(c5Cl)NC6CC6)C(=O)N3C)CO1)N,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5EHR,,,,,,,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,5OD:A:601,valid,Kd,=,73,nM,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,,5OD:B:601,valid,Kd,=,73,nM,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,6MD7,,,,,,,
,,,JE1:A:601,valid,ic50,=,0.181,uM,CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN,
,,,JE1:B:601,valid,ic50,=,0.181,uM,CC1(CCN(CC1)C2=NC=C(C(=O)N2)Sc3cccnc3C(F)(F)F)CN,
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6BMW,,,,,,,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DZS:B:602,valid,,,,,c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl,
,,,DZS:A:602,valid,,,,,c1ccc(c(c1)CN2c3nnc(n3-c4ccccc4C2=O)c5cc(ccc5O)C(=O)O)Cl,
,,,5OD:A:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,,5OD:B:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,6BMR,,,,,,,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,DZV:B:601,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl,
,,,DZV:A:601,valid,,,,,COc1cccc(c1O)c2nnc3n2-c4ccccc4C(=O)N3Cc5ccccc5Cl,
,,6CMR,,,,,,,
,,,5OD:A:601,valid,,,,,CC1(CCN(CC1)c2cnc(c(n2)N)c3cccc(c3Cl)Cl)N,
,,6MDA,,,,,,,
,,,JED:A:601,valid,,,,,Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O,
,,,JED:B:601,valid,,,,,Cc1ccc(cc1)c2cc(c3c(n[nH]c3n2)c4ccc(cc4)Br)C(=O)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,7JVN,,,,,,,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VKP:A:601,valid,ic50,=,0.029,uM,CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N,
,,,VKP:B:601,valid,ic50,=,0.029,uM,CC1(CCN(CC1)c2cnc(c(n2)N)Sc3cccc(c3Cl)Cl)N,
,,6MDB,,,,,,,
,,,JE4:B:601,valid,ic50,=,0.064,uM,CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N,
,,,JE4:A:601,valid,ic50,=,0.064,uM,CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)N,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5EHP,,,,,,,
,,,5OA:B:601,valid,ic50,=,12,uM,C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl,
,,,5OA:A:601,valid,ic50,=,12,uM,C[C@@H]1CN(C[C@@H](N1)C)c2ncc(c(n2)N)c3cccc(c3Cl)Cl,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4EGC,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3QCJ,,,,,,,
,,,NX4:A:2001,valid,ic50,=,0.5,uM,COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl,
,,3QCH,,,,,,,
,,,NX2:A:2001,valid,ic50,=,3.3,uM,CS(=O)(=O)NC(=O)c1c(ccs1)SCc2ccc(c(c2)Cl)Cl,
,,3QCI,,,,,,,
,,,NX3:A:2001,valid,ic50,=,3.8,uM,c1cc(cc(c1)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl)N,
,,3QCL,,,,,,,
,,,NXV:A:2001,valid,ic50,=,4,uM,c1cc(c(cc1CSc2cc(ccc2C(=O)O)C#CCCO)Cl)Cl,
,,3QCE,,,,,,,
,,,NXY:A:2001,valid,Ki,=,2.5,uM,c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl,
,,,NXY:B:2001,valid,Ki,=,2.5,uM,c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl,
,,,SO4:A:2054,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2051,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2052,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2053,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QCM,,,,,,,
,,,MES:A:2051,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2051,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NXW:A:2001,valid,,,,,CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O,
,,,NXW:B:2001,valid,,,,,CNCCNCC(=O)Nc1cccc(c1)C#Cc2ccc(c(c2)SCc3ccc(c(c3)Cl)Cl)C(=O)O,
,,3QCF,,,,,,,
,,,NXY:A:2001,valid,Ki,=,2.5,uM,c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl,
,,,NXY:B:2001,valid,Ki,=,2.5,uM,c1cc(c(cc1CSc2ccsc2C(=O)O)Cl)Cl,
,,,SO4:B:2051,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QCG,,,,,,,
,,,ACY:A:2051,invalid,,,,,CC(=O)O,
,,,NX1:A:2001,valid,,,,,c1cc(c(cc1CSc2ccsc2C(=O)O)Br)Cl,
,,3QCK,,,,,,,
,,,NX5:A:2001,valid,ic50,=,5.8,uM,c1ccc(c(c1)C(=O)O)SCc2ccc(c(c2)Cl)Cl,
,Family. Representative Entry is ,1PA9,,,,,,,
,,,CSN:A:737,valid,Ki,=,25,uM,c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O,
,,2YDU,,,,,,,
,,,79W:A:1469,valid,,,,,c1cc(cc(c1)[C@@H]2CC(=O)CS2(=O)=O)C=O,
,,1XXV,,,,,,,
,,,ACE ASP ALA ASP GLU FTY LEU NH2:C:103,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ACE ASP ALA ASP GLU FTY LEU NH2:D:1,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ACE ASP ALA ASP GLU FTY LEU NH2:E:103,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ACE ASP ALA ASP GLU FTY LEU NH2:F:1,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,4ZN5,,,,,,,
,,,DVG:A:501,valid,,,,,C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO,
,,,VO4:A:502,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,3U96,,,,,,,
,,,CSN:A:1,valid,,,,,c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O,
,,,CSN:B:1,valid,,,,,c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O,
,,,SO4:A:469,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZI4,,,,,,,
,,,DVG:A:501,valid,,,,,C1[C@H]([O+]2[V](O[V]2(O1)(O)O)(O)O)CO,
,,,VO4:A:502,invalid,,,,,[O-][V](=O)([O-])[O-],
,,2Y2F,,,,,,,
,,,YI1:A:1469,valid,,,,,c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2ccc(cc2)CO[NH3+],
,,1QZ0,,,,,,,
,,,ASP ALA ASP GLU FTY LEU NH2:C:503,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ASP ALA ASP GLU FTY LEU NH2:D:601,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ASP ALA ASP GLU FTY LEU NH2:E:503,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,,,ASP ALA ASP GLU FTY LEU NH2:F:601,valid,,,,,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])CC(C)C)cc1,
,Family. Representative Entry is ,1D1Q,,,,,,,
,,,4NP:A:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1D2A,,,,,,,
,,,ADE:B:401,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1EEO,,,,,,,
,,,MG:A:322,invalid,,,,,[Mg+2],
,,,ACE GLU LEU GLU PHE PTR MET ASP TYR GLU NH2:B:1,valid,,,,,,
,Family. Representative Entry is ,2QWO,,,,,,,
,,,ACY:A:1022,invalid,,,,,CC(=O)O,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:3147,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3148,invalid,,,,,C(C(CO)O)O,
,,,MG:A:491,invalid,,,,,[Mg+2],
,,,NA:A:489,Part of Protein,,,,,[Na+],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QWP,,,,,,,
,,,ACY:A:1022,invalid,,,,,CC(=O)O,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:3147,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3148,invalid,,,,,C(C(CO)O)O,
,,,MG:A:491,invalid,,,,,[Mg+2],
,,,NA:A:489,Part of Protein,,,,,[Na+],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QWR,,,,,,,
,,,ACY:A:1022,invalid,,,,,CC(=O)O,
,,,ANP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:3147,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3148,invalid,,,,,C(C(CO)O)O,
,,2QWQ,,,,,,,
,,,ACY:A:1022,invalid,,,,,CC(=O)O,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:3147,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3148,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QWN,,,,,,,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:491,invalid,,,,,[Mg+2],
,,,NA:A:489,Part of Protein,,,,,[Na+],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YD1,,,,,,,
,,,GLY:A:1230,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,6BYF,,,,,,,
,,,CIT:I:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:H:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5M36,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,BEZ:B:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:303,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,9SZ:B:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:A:302,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:C:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:A:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,Family. Representative Entry is ,2YD6,,,,,,,
,,,CL:A:1222,invalid,,,,,[Cl-],
,,,FLC:A:1223,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2IMG,,,,,,,
,,,MLT:A:501,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,3ROF,,,,,,,
,,,HIS HIS HIS HIS HIS GLY SER:B:49,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C=O)CO)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)C([NH3+])Cc1nc[nH]c1,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YD8,,,,,,,
,,,YYJ:A:1228,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COS(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,5JNW,,,,,,,
,,,VO4:A:201,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,6LJ:A:202,valid,ic50,=,0.46,uM,c1ccc(c(c1)C#N)c2cc(c3ccccc3n2)NCCCN4CCCCC4,
,Family. Representative Entry is ,5OVX,,,,,,,
,,,AY5:A:601,valid,Kd,=,31.4,uM,c1cc(cc(c1)[C@@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O,
,,2CJZ,,,,,,,
,,,EDO:A:1538,invalid,,,,,C(CO)O,
,,,PTR:A:1537,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,5OVR,,,,,,,
,,,AXK:A:601,valid,Kd,=,27.2,uM,c1cc(cc(c1)[C@H](c2ccc(c(c2)Cl)Cl)O)c3ccc(cc3)[C@@H](O)P(=O)(O)O,
,,6H8R,,,,,,,
,,,FWB:A:602,valid,,,,,C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OW1,,,,,,,
,,,AY8:A:601,valid,Kd,=,70.4,uM,c1cc(cc(c1)C(F)(F)P(=O)(O)O)c2cccc(c2O)C3CCCCC3,
,Family. Representative Entry is ,5M37,,,,,,,
,,,9SZ:B:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:C:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:A:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,9SZ:D:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,,BEZ:A:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,4J51,,,,,,,
,,,N75:A:401,valid,ic50,=,0.259,uM,c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O,
,,,N75:B:401,valid,ic50,=,0.259,uM,c1cc(cc(c1)Cl)C#Cc2c3cc(c(cc3oc2c4ccc(cc4)OCC(=O)NC5CC5)O)C(=O)O,
,Family. Representative Entry is ,2H04,,,,,,,
,,,4UN:A:401,valid,ic50,=,0.07,uM,Cc1nc(no1)C(Cc2ccccc2)(Cc3ccc(cc3)NS(=O)(=O)O)c4nc(on4)C,
,,2I5X,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,UA5:A:701,valid,,,,,CCc1ccc(cc1)NS(=O)(=O)O,
,,,UA5:B:702,valid,,,,,CCc1ccc(cc1)NS(=O)(=O)O,
,,2I4H,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,UA1:A:401,valid,,,,,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC,
,,2H02,,,,,,,
,,,2UN:A:402,valid,ic50,=,0.32,uM,COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC,
,,,2UN:B:401,valid,ic50,=,0.32,uM,COC(=O)C(Cc1ccccc1)(Cc2ccc(cc2)NS(=O)(=O)O)C(=O)OC,
,,2I4G,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,UA1:A:401,valid,,,,,CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)NS(=O)(=O)O)C(=O)NC,
,,2H03,,,,,,,
,,,3UN:A:401,valid,ic50,=,0.09,uM,CCOC(=O)C(CCNC(=O)OC(C)(C)C)(Cc1ccc(cc1)NS(=O)(=O)O)C(=O)OCC,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:304,invalid,,,,,[Mg+2],
1.7.99.7,,,,,,,,,
,Family. Representative Entry is ,1XQD,,,,,,,
,,,DND:A:502,valid,Kd,=,0.07,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
4.3.2.1,,,,,,,,,
,Family. Representative Entry is ,1K7W,,,,,,,
,,,AS1:A:1004,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:B:1003,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:C:1001,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:D:1002,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,1DCN,,,,,,,
,,,AS1:D:0,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,1TJW,,,,,,,
,,,AS1:A:1004,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:B:1003,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:C:1001,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:D:1002,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
2.7.1.16,,,,,,,,,
,Family. Representative Entry is ,3QDK,,,,,,,
,,,QDK:A:573,valid,,,,,C([C@@H]([C@@H](C(=O)CO)O)O)O,
3.4.22.27,,,,,,,,,
,Family. Representative Entry is ,4P6G,,,,,,,
,,,2FZ:A:301,valid,ic50,=,7.7,nM,CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5,
,,,2FZ:B:301,valid,ic50,=,7.7,nM,CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5,
,,,2FZ:D:301,valid,ic50,=,7.7,nM,CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5,
,,,2FZ:C:301,valid,ic50,=,7.7,nM,CNC(=O)O[C@H]1COc2ccc(cc2[C@@H]1NC(=O)c3ccc(cc3)F)N4CCN(CC4)C5COC5,
,,2HH5,,,,,,,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,GNQ:A:401,valid,Ki,=,0.032,uM,C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3,
,,,GNQ:B:501,valid,Ki,=,0.032,uM,C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:703,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,2HHN,,,,,,,
,,,GNQ:B:901,valid,Ki,=,32,nM,C[C@@H](CNc1ccc(cc1)OC(F)(F)F)NC(=O)[C@H](CS(=O)(=O)Cc2ccccc2)NC(=O)N3CCOCC3,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4P6E,,,,,,,
,,,2FC:B:301,valid,ic50,=,1290,nM,CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4,
,,,2FC:A:302,valid,ic50,=,1290,nM,CN1CCN(CC1)C(=O)Nc2ccc3c(c2)[C@@H](CCC3)NC(=O)c4ccccc4,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QBV,,,,,,,
,,,N2D:A:901,valid,,,,,CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl,
,,,N2D:B:901,valid,,,,,CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C(=O)C=CC(=N4)c5ccc(c(c5)CNC(=O)c6ccccc6)Cl)Cl,
,,3IEJ,,,,,,,
,,,599:A:221,valid,ic50,=,0.22,uM,c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl,
,,,599:B:221,valid,ic50,=,0.22,uM,c1cc(ccc1C#Cc2cc(ccc2Cl)c3c4c(n(n3)CCCN5CCOCC5)CCN(C4)C(=O)CO)Cl,
,,5QBY,,,,,,,
,,,N2A:A:901,valid,,,,,CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl,
,,,N2A:B:901,valid,,,,,CN1c2ccc(cc2N(C1=O)C3CCN(CC3)CCCN4C=NC=C(C4=O)c5ccc(c(c5)CNC(=O)c6ccc(cc6)F)Cl)Cl,
,,5QC4,,,,,,,
,,,BC7:A:901,valid,ic50,=,0.15,uM,CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1,
,,,BC7:B:901,valid,ic50,=,0.15,uM,CC(=O)N1CCc2c(c(nn2C[C@@H](CN3CCC(CC3)C(C)(C)O)O)c4ccc(c(c4)SCC(=O)N5CCCC5)C(F)(F)F)C1,
,,2F1G,,,,,,,
,,,GNF:A:1002,valid,Ki,=,0.029,uM,COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3,
,,,GNF:B:1001,valid,Ki,=,0.029,uM,COc1ccc(cc1)NCCNC(=O)[C@H](CC2CCCCC2)Nc3nc4ccccc4o3,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
3.1.3.36,,,,,,,,,
,Family. Representative Entry is ,3QBT,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:G:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:G:201,Part of Protein,,,,,[Mg+2],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CML,,,,,,,
,,,MG:A:1569,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1572,invalid,,,,,C(C(CO)O)O,
,,,52N:A:1568,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H]([C@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,CL:A:1570,invalid,,,,,[Cl-],
6.1.1.6,,,,,,,,,
,Family. Representative Entry is ,3E9I,,,,,,,
,,,1PE:A:494,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:494,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1202,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:494,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:B:1100,Part of Protein,,,,,[Mg+2],
,,,MG:C:1200,Part of Protein,,,,,[Mg+2],
,,,MG:D:1300,Part of Protein,,,,,[Mg+2],
,,,XAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N,
,,,XAH:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N,
,,,XAH:C:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N,
,,,XAH:D:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)ONC(=O)[C@H](CCCCN)N)O)O)N,
,,3E9H,,,,,,,
,,,KAA:A:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:B:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:C:2004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:D:2005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2004,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6HCW,,,,,,,
,,,LYS:B:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,TRS:B:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FYB:A:602,valid,ic50,=,0.13,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O,
,,,FYB:B:602,valid,ic50,=,0.13,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O,
,Family. Representative Entry is ,3A5Z,,,,,,,
,,,KAA:A:990,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:C:991,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:E:992,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:G:993,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,Family. Representative Entry is ,6AGT,,,,,,,
,,,CO:C:603,invalid,,,,,[Co+2],
,,,CO:B:602,invalid,,,,,[Co+2],
,,,CO:D:602,invalid,,,,,[Co+2],
,,,CO:C:602,Part of Protein,,,,,[Co+2],
,,,CO:A:602,invalid,,,,,[Co+2],
,,,MLA:D:603,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:606,invalid,,,,,C(C(=O)O)C(=O)O,
,,,9X0:D:601,valid,ic50,=,0.004,uM,c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3,
,,,9X0:A:601,valid,ic50,=,0.004,uM,c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3,
,,,9X0:B:601,valid,ic50,=,0.004,uM,c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3,
,,,9X0:C:601,valid,ic50,=,0.004,uM,c1ccc2c(c1)C(=O)C=C(O2)C(=O)NCC3CCCCC3,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:C:605,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,LYS:D:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,6HCU,,,,,,,
,,,TRS:A:606,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:605,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FYB:B:601,valid,ic50,=,0.015,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O,
,,,FYB:A:601,valid,ic50,=,0.015,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCC(CC3)(F)F)O,
,,,HIS:A:604,invalid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,LYS:A:602,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,6KCN,,,,,,,
,,,D5F:C:601,valid,ic50,=,276,nM,C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O,
,,,D5F:A:601,valid,ic50,=,276,nM,C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O,
,,,D5F:D:601,valid,ic50,=,276,nM,C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O,
,,,D5F:B:601,valid,ic50,=,276,nM,C[C@H]1CCC[C@@H](C1)CC2=Cc3cc(cc(c3C(=O)O2)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,LYS:C:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,6HCV,,,,,,,
,,,FYE:A:601,valid,ic50,=,0.005,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O,
,,,FYE:B:601,valid,ic50,=,0.005,uM,c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3)O,
,,6KA6,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,D4O:A:601,valid,ic50,=,221,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O,
,,,D4O:C:601,valid,ic50,=,221,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O,
,,,D4O:D:601,valid,ic50,=,221,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O,
,,,D4O:B:601,valid,ic50,=,221,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)O2)O)O,
,,,LYS:C:602,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,7BT5,,,,,,,
,,,F6O:B:602,valid,Kd,=,239,nM,CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C,
,,,F6O:A:602,valid,Kd,=,239,nM,CC(C)S(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C,
,,,LYS:A:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,6KBF,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,D4X:A:602,valid,ic50,=,308,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O,
,,,D4X:B:602,valid,ic50,=,308,nM,C[C@H]1CCC[C@@H](C1)C[C@H]2Cc3cc(cc(c3C(=O)N2)O)O,
,,,DMS:B:605,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3G1Z,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:B:329,invalid,,,,,[Cl-],
,,,PO4:A:326,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:326,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3BJU,,,,,,,
,,,ATP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:A:608,Part of Protein,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:608,Part of Protein,,,,,[Ca+2],
,,,CA:C:606,Part of Protein,,,,,[Ca+2],
,,,CA:C:607,Part of Protein,,,,,[Ca+2],
,,,CA:C:608,Part of Protein,,,,,[Ca+2],
,,,CA:D:606,Part of Protein,,,,,[Ca+2],
,,,CA:D:607,Part of Protein,,,,,[Ca+2],
,,,CA:D:608,Part of Protein,,,,,[Ca+2],
,,6ILH,,,,,,,
,,,KAA:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,Family. Representative Entry is ,1E1O,,,,,,,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:527,invalid,,,,,C(C(CO)O)O,
,,,LYS:A:510,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,1E1T,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,LAD:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CCCCN)N)O)O)N,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,POP:A:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1E24,,,,,,,
,,,ATP:A:512,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:A:516,Part of Protein,,,,,[Mn+2],
,,,MN:A:517,Part of Protein,,,,,[Mn+2],
,,1E22,,,,,,,
,,,ACP:A:512,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,MG:A:515,Part of Protein,,,,,[Mg+2],
,,,MG:A:516,Part of Protein,,,,,[Mg+2],
,,,MG:A:517,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3A5Y,,,,,,,
,,,KAA:A:1990,valid,Kd,=,11,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:B:1991,valid,Kd,=,11,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:C:1992,valid,Kd,=,11,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
,,,KAA:D:1993,valid,Kd,=,11,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCCCN)N)O)O)N,
6.1.1.11,,,,,,,,,
,Family. Representative Entry is ,1SES,,,,,,,
,,,AHX:A:422,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)ONC(=O)[C@H](CO)N)O)O)N,
,,,AMP:B:423,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3QO8,,,,,,,
,,,MG:A:487,Part of Protein,,,,,[Mg+2],
,,,MG:A:489,Part of Protein,,,,,[Mg+2],
,,,SSA:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,SSA:A:488,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,Family. Representative Entry is ,6R1M,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,SSA:B:501,valid,ic50,=,0.21,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,SSA:A:501,valid,ic50,=,0.21,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,7AP1,,,,,,,
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,invalid,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,RUZ:A:501,valid,,,,,c1c(cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO,
,,6H9X,,,,,,,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,CA:A:506,invalid,,,,,[Ca+2],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SSA:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,Family. Representative Entry is ,6X94,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,SCN:A:506,invalid,,,,,C(#N)[S-],
,,,SCN:A:510,invalid,,,,,C(#N)[S-],
,,,SCN:A:508,invalid,,,,,C(#N)[S-],
,,,SCN:A:509,invalid,,,,,C(#N)[S-],
,,,SCN:A:507,invalid,,,,,C(#N)[S-],
,,,SSA:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,K:A:511,Part of Protein,,,,,[K+],
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6R1N,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,SSA:A:501,valid,ic50,=,0.23,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2CJA,,,,,,,
,,,ATP:A:1505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:B:1504,invalid,,,,,[Cl-],
,,,MG:B:1505,Part of Protein,,,,,[Mg+2],
,,,MG:B:1506,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6RLT,,,,,,,
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:509,invalid,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,FZK:A:507,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,,FZK:B:510,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,,MLI:B:512,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:508,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:511,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6RLU,,,,,,,
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NA:B:509,invalid,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MLI:B:511,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FZQ:B:510,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,,FZQ:A:507,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,6RLV,,,,,,,
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NA:B:509,invalid,,,,,[Na+],
,,,NA:A:506,invalid,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,FZT:A:507,valid,,,,,CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,,FZT:B:510,valid,,,,,CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MLI:B:511,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,2CJ9,,,,,,,
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:B:1504,invalid,,,,,[Cl-],
,,,SSA:A:1505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,SSA:B:1505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1WLE,,,,,,,
,,,SRP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N,
,,,SRP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CO)N)O)O)N,
1.13.11.52,,,,,,,,,
,Family. Representative Entry is ,6WJY,,,,,,,
,,,U41:B:501,valid,ic50,=,3.1,nM,C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl,
,,,U41:A:501,valid,ic50,=,3.1,nM,C[C@H](C(=O)Nc1ccc(cc1)F)C23CC(C2)(C3)NC(=O)c4cccc(c4)Cl,
,,6F0A,,,,,,,
,,,C82:A:501,valid,ic50,=,11.3,mM,c1cc(ccc1Nc2cnn[nH]2)Cl,
,,,C82:C:501,valid,ic50,=,11.3,mM,c1cc(ccc1Nc2cnn[nH]2)Cl,
,,,ALA:C:502,invalid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:A:502,invalid,,,,,C[C@@H](C(=O)O)N,
,,,HEM:C:503,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:503,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6KPS,,,,,,,
,,,DU6:A:502,valid,ic50,=,102.1,nM,c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4,
,,,DU6:B:502,valid,ic50,=,102.1,nM,c1cc(ccc1C#N)NC(=O)NCc2cnc3n2c(cs3)C#CC4CC4,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6E40,,,,,,,
,,,BBJ:A:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,,BBJ:B:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,,BBJ:D:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5WN8,,,,,,,
,,,BBJ:A:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,,BBJ:B:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6CXU,,,,,,,
,,,CYN:B:501,invalid,,,,,[C-]#N,
,,,CYN:A:501,invalid,,,,,[C-]#N,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TRP:A:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,6KOF,,,,,,,
,,,DO9:A:502,valid,ic50,=,16.4,nM,c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4,
,,,DO9:B:502,valid,ic50,=,16.4,nM,c1cc(ccc1C#N)NC(=S)NCc2cnc3n2c(cs3)C#CC4CC4,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EK3,,,,,,,
,,,5PK:B:502,valid,ic50,=,38,nM,c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O,
,,,5PK:A:502,valid,ic50,=,38,nM,c1ccc2c(c1)-c3cncn3[C@H]2C[C@H](C4CCCCC4)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6E43,,,,,,,
,,,HQM:D:501,valid,,,,,Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O,
,,,HQM:A:501,valid,,,,,Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O,
,,,HQM:C:501,valid,,,,,Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O,
,,,HQM:B:501,valid,,,,,Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CCCCC3)[C@H]4C[C@H]4C(=O)O,
,,,BEZ:B:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,6PU7,,,,,,,
,,,OY4:B:502,valid,ic50,=,35,nM,CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F,
,,,OY4:A:502,valid,ic50,=,35,nM,CC(=O)NCCSc1c(non1)/C(=N/O)/N[C@H]2Cc3c2cc(cc3)F,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2D0T,,,,,,,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NHE:A:502,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:A:503,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:1502,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:1503,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,PIM:A:501,valid,,,,,c1ccc(cc1)c2cnc[nH]2,
,,,PIM:B:1501,valid,,,,,c1ccc(cc1)c2cnc[nH]2,
,,6E42,,,,,,,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:D:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HQJ:B:504,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:B:502,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:D:504,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:A:502,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:A:504,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:C:502,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:D:502,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:C:506,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:B:505,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:C:505,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:A:503,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:C:504,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:D:503,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:B:503,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:A:505,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,,HQJ:C:503,valid,,,,,c1cc(cc(c1)Cl)c2c[nH]cn2,
,,6E41,,,,,,,
,,,HQS:B:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HQS:A:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HQS:C:503,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HQS:C:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HQS:D:502,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HQS:A:503,valid,,,,,c1cc(c(cc1N/C(=NO)/c2c(non2)SCCNS(=O)(=O)N)Br)F,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6V52,,,,,,,
,,,QPV:B:501,valid,,,,,CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl,
,,,QPV:A:501,valid,,,,,CCCNC(=O)C1(CCC1)c2ccc(cc2)NC(=O)c3cccc(c3)Cl,
,,5WHR,,,,,,,
,,,AOJ:B:502,valid,ic50,=,0.12,uM,c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O,
,,,AOJ:A:502,valid,ic50,=,0.12,uM,c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5WMU,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TRP:A:503,valid,Kd,=,26,mM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:503,valid,Kd,=,26,mM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,CYN:B:502,invalid,,,,,[C-]#N,
,,6E46,,,,,,,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRP:B:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:503,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:503,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
2.5.1.68,,,,,,,,,
,Family. Representative Entry is ,2VG1,,,,,,,
,,,FPP:B:1262,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GOL:A:1258,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1259,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1258,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1259,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2VG0,,,,,,,
,,,GOL:A:1258,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1258,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1259,invalid,,,,,C(C(CO)O)O,
,,,GPP:A:1257,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:B:1257,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
3.8.1.6,,,,,,,,,
,Family. Representative Entry is ,1JXZ,,,,,,,
,,,BCA:A:271,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,BCA:B:272,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,BCA:C:271,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,CA:A:270,Part of Protein,,,,,[Ca+2],
,,,CA:B:270,Part of Protein,,,,,[Ca+2],
,,,CA:C:270,Part of Protein,,,,,[Ca+2],
,,,PO4:B:271,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1NZY,,,,,,,
,,,BCA:A:272,valid,Kd,=,2,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,BCA:B:272,valid,Kd,=,2,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,BCA:C:272,valid,Kd,=,2,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O,
,,,CA:A:271,Part of Protein,,,,,[Ca+2],
,,,CA:B:271,Part of Protein,,,,,[Ca+2],
,,,CA:C:271,Part of Protein,,,,,[Ca+2],
,,,EDO:B:900,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
2.7.7.12,,,,,,,,,
,Family. Representative Entry is ,2Q4H,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:B:605,Part of Protein,,,,,[Zn+2],
,,,ZN:B:606,Part of Protein,,,,,[Zn+2],
,,2H39,,,,,,,
,,,ADQ:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:B:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,ZN:A:352,Part of Protein,,,,,[Zn+2],
,,,ZN:A:353,Part of Protein,,,,,[Zn+2],
,,,ZN:B:352,Part of Protein,,,,,[Zn+2],
,,,ZN:B:353,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5IN3,,,,,,,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,H2U:A:402,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:B:402,invalid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,G1P:A:416,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:418,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
4.2.1.10,,,,,,,,,
,Family. Representative Entry is ,2XD9,,,,,,,
,,,XD9:A:200,valid,Ki,=,0.35,uM,CC=Cc1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,,XD9:B:200,valid,Ki,=,0.35,uM,CC=Cc1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,,XD9:C:200,valid,Ki,=,0.35,uM,CC=Cc1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,2XDA,,,,,,,
,,,JPS:A:1151,valid,Ki,=,0.6,uM,c1c(sc2c1[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)CCC3CC3,
,,2C4W,,,,,,,
,,,GAJ:A:1160,valid,Ki,=,20,uM,c1ccc2c(c1)C(=O)c3cc(ccc3O2)S(=O)(=O)N=C4NN=NN4,
,,,GOL:A:1161,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1162,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1163,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1164,invalid,,,,,c1c[nH+]c[nH]1,
,,4B6R,,,,,,,
,,,SO4:B:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3DQ:A:1158,valid,Ki,=,1420,nM,COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,,3DQ:B:1158,valid,Ki,=,1420,nM,COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,,3DQ:C:1158,valid,Ki,=,1420,nM,COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,4B6S,,,,,,,
,,,2HN:A:200,valid,Ki,=,970,nM,C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O,
,,,2HN:B:200,valid,Ki,=,970,nM,C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O,
,,,2HN:C:200,valid,Ki,=,970,nM,C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O,
,,,PO4:A:1159,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2XB8,,,,,,,
,,,SO4:A:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1152,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,XNW:A:1144,valid,Ki,=,26,nM,COc1ccc(cc1)C[C@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,3N87,,,,,,,
,,,N87:A:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:B:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:C:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:D:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:E:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:F:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:G:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:H:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:I:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:J:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:K:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:L:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:M:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:N:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:O:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:P:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:Q:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:R:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:S:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:T:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:U:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:V:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:W:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,N87:X:147,valid,Ki,=,11,uM,c1ccc(cc1)C(=O)c2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,2Y76,,,,,,,
,,,CB7:A:1144,valid,Ki,=,440,nM,c1cc2c(ccs2)cc1CC3=C([C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O)OCc4ccc5c(c4)ccs5,
,,,SO4:A:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N7A,,,,,,,
,,,FA1:A:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:B:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:C:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:D:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:E:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:F:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:G:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:H:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:I:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:J:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:K:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:L:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:M:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:N:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:O:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:P:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:Q:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:R:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:S:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:T:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:U:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:V:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:W:147,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:X:148,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,GOL:B:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:U:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:V:147,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:147,invalid,,,,,C(C(CO)O)O,
,,4B6O,,,,,,,
,,,3DQ:A:1144,valid,Ki,=,100,nM,COc1ccc(cc1)C[C@@H]2C(=O)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O,
,,,SO4:A:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y71,,,,,,,
,,,CB6:A:1144,valid,Ki,=,42.5,nM,Cc1ccc2c(c1)cc(s2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,NA:A:1145,Part of Protein,,,,,[Na+],
,,,NA:A:1146,Part of Protein,,,,,[Na+],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CIW,,,,,,,
,,,XH2:A:1148,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)CCO)O)O,
,,,SO4:A:1144,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:1145,Part of Protein,,,,,[Na+],
,,,NA:A:1147,invalid,,,,,[Na+],
,,,NA:A:1146,invalid,,,,,[Na+],
,,4B6P,,,,,,,
,,,2HN:A:1145,valid,Ki,=,74,nM,C1[C@H]([C@@H](C(=O)[C@H]([C@]1(C(=O)O)O)Cc2c(c(c(c(c2F)F)F)F)F)O)O,
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N8N,,,,,,,
,,,N88:A:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:B:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:C:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:D:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:E:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:F:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:G:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:I:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:J:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:K:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:L:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:T:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:U:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,,N88:V:147,valid,Ki,=,27,uM,CC(C)(C)NC(=O)C1=C[C@](C[C@H]([C@@H]1O)O)(C(=O)O)O,
,,3N76,,,,,,,
,,,CA2:A:147,valid,Ki,=,0.14,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,4CIY,,,,,,,
,,,NA:A:1148,Part of Protein,,,,,[Na+],
,,,NA:A:1149,Part of Protein,,,,,[Na+],
,,,NA:A:1147,Part of Protein,,,,,[Na+],
,,,CL:A:1146,invalid,,,,,[Cl-],
,,,NDY:A:1144,valid,Ki,=,27,uM,c1ccc(cc1)C[C@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O,
,,,SO4:A:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H0R,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,FA1:A:200,valid,Ki,=,200,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3N86,,,,,,,
,,,RJP:A:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:B:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:C:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:D:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:E:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:F:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:G:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:H:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:I:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:J:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:K:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:L:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:M:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:N:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:O:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:P:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:Q:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:R:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:S:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:T:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:U:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:V:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:W:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,,RJP:X:147,valid,Ki,=,2.3,uM,c1ccc(cc1)NC(=O)CCC2=C[C@](C[C@H](C2=O)O)(C(=O)O)O,
,,1H0S,,,,,,,
,,,FA6:A:200,valid,,,,,C1[C@H]([C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B6Q,,,,,,,
,,,BZ5:A:1145,valid,Ki,=,28,nM,c1cc2c(ccs2)cc1C[C@H]3C(=O)[C@H]([C@@H](C[C@@]3(C(=O)O)O)O)O,
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1152,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y77,,,,,,,
,,,CB8:A:1144,valid,Ki,=,250,nM,c1ccc2c(c1)cc(s2)COC3=C([C@](C[C@H]([C@@H]3O)O)(C(=O)O)O)Cc4cccs4,
,,,SO4:A:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1147,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CNO,,,,,,,
,,,9PY:B:301,valid,,,,,C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O,
,,,9PY:A:301,valid,,,,,C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O,
,,,9PY:C:301,valid,,,,,C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O,
,,,9PY:D:301,valid,,,,,C[C@H]1C(=O)[C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O,
,,1L9W,,,,,,,
,,,DHS:A:301,valid,,,,,C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O,
,,,DHS:B:302,valid,,,,,C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O,
,,,DHS:C:303,valid,,,,,C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O,
,,,DHS:D:304,valid,,,,,C1[C@H]([C@@H](C(C=C1C(=O)[O-])N)O)O,
,Family. Representative Entry is ,2CJF,,,,,,,
,,,GOL:A:1152,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1753,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1952,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2153,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2353,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:2552,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:2954,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:2955,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:3152,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:3153,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:3352,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:2152,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:2352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:2952,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RP4:A:1151,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:B:1351,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:C:1551,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:D:1751,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:E:1951,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:F:2151,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:G:2351,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:H:2551,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:I:2751,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:J:2951,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:K:3151,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,RP4:L:3351,valid,Ki,=,380,nM,c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O,
,,,TRS:B:1353,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1752,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:I:2752,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:J:2953,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1GTZ,,,,,,,
,,,DHK:A:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:B:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:C:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:D:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:E:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:F:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:G:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:H:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:I:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:J:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:K:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,DHK:L:1162,valid,,,,,C1[C@@H](C=C([C@H]([C@@H]1O)O)O)C(=O)O,
,,,TRS:A:1152,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1152,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:G:1153,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:J:1152,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2BT4,,,,,,,
,,,CA2:A:160,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:B:360,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:C:560,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:D:760,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:E:960,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:F:1160,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:G:1360,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:H:1560,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:I:1760,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:J:1960,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:K:2160,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,CA2:L:2360,valid,Ki,=,33,uM,c1ccc(cc1)OCCC[C@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O,
,,,GOL:A:2413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2414,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2415,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2416,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:2419,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:2422,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2418,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2417,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:2411,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:2420,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:2412,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:2421,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:2401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:2402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:2403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:2404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:A:2405,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:2406,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:H:2407,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:L:2408,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1V1J,,,,,,,
,,,FA3:A:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:B:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:C:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:D:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:E:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:F:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:G:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:H:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:I:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:J:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:K:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,FA3:L:201,valid,Ki,=,15,uM,C1[C@H]([C@@H](C(=C[C@]1(C(=O)O)O)F)O)O,
,,,TRS:A:1151,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:1151,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:I:1151,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:K:1151,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1GU1,,,,,,,
,,,FA1:A:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:B:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:C:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:D:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:E:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:F:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:G:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:H:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:I:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:J:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:K:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,FA1:L:201,valid,Ki,=,30,uM,C1[C@H]([C@@H](C=C[C@]1(C(=O)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:202,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:E:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:G:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:H:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:I:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:J:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:K:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:L:203,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:H:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:L:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3N8K,,,,,,,
,,,CL:A:148,invalid,,,,,[Cl-],
,,,CL:B:148,invalid,,,,,[Cl-],
,,,CL:C:148,invalid,,,,,[Cl-],
,,,CL:C:149,invalid,,,,,[Cl-],
,,,CL:C:150,invalid,,,,,[Cl-],
,,,CL:D:148,invalid,,,,,[Cl-],
,,,CL:D:149,invalid,,,,,[Cl-],
,,,CL:D:150,invalid,,,,,[Cl-],
,,,CL:E:148,invalid,,,,,[Cl-],
,,,CL:E:149,invalid,,,,,[Cl-],
,,,CL:F:148,invalid,,,,,[Cl-],
,,,CL:H:148,invalid,,,,,[Cl-],
,,,CL:I:148,invalid,,,,,[Cl-],
,,,CL:J:148,invalid,,,,,[Cl-],
,,,CL:J:149,invalid,,,,,[Cl-],
,,,CL:K:148,invalid,,,,,[Cl-],
,,,CL:K:149,invalid,,,,,[Cl-],
,,,CL:L:148,invalid,,,,,[Cl-],
,,,CL:L:149,invalid,,,,,[Cl-],
,,,CL:M:147,invalid,,,,,[Cl-],
,,,CL:N:148,invalid,,,,,[Cl-],
,,,CL:O:148,invalid,,,,,[Cl-],
,,,CL:P:148,invalid,,,,,[Cl-],
,,,CL:Q:147,invalid,,,,,[Cl-],
,,,CL:S:148,invalid,,,,,[Cl-],
,,,CL:V:148,invalid,,,,,[Cl-],
,,,D1X:A:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:B:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:C:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:D:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:E:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:F:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:G:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:H:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:I:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:J:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:K:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:L:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:M:150,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:N:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:O:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:P:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:R:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:S:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:T:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:U:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:V:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,,,D1X:W:147,valid,Kd,=,90,uM,C1C(=CC(=O)NC1=O)C(=O)O,
,Family. Representative Entry is ,2GPT,,,,,,,
,,,SKM:A:4733,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TLA:A:4988,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6BMQ,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QIC:A:703,valid,,,,,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,
,Family. Representative Entry is ,3NNT,,,,,,,
,,,DQA:A:253,valid,,,,,C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O,
,,,DQA:B:253,valid,,,,,C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)O)O)O)O,
,,4IUO,,,,,,,
,,,QIC:B:301,valid,,,,,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,
,,,QIC:A:301,valid,,,,,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,
2.4.2.17,,,,,,,,,
,Family. Representative Entry is ,5LHT,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TIH:A:301,valid,Kd,=,2,mM,c1cc(sc1)C[C@@H](C(=O)O)N,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,5U99,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:A:305,invalid,,,,,[Mg+2],
,,5LHU,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,HIS:A:301,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,1NH8,,,,,,,
,,,AMP:A:288,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:285,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:286,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:287,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5UBG,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,PRT:B:303,valid,,,,,[H]/N=C1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,,PRT:A:302,valid,,,,,[H]/N=C1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,5UBI,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,PRP MG :B:305,invalid,,,,,,
,,,MG:A:307,invalid,,,,,[Mg+2],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,PRP:A:306,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,5UBH,,,,,,,
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
3.2.1.17,,,,,,,,,
,Family. Representative Entry is ,2DQA,,,,,,,
,,,BGC:B:2001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2002,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PT:A:1201,invalid,,,,,[Pt+2],
,,,PT:A:1208,invalid,,,,,[Pt+2],
,,,PT:A:1202,invalid,,,,,[Pt+2],
,,,PT:A:1204,invalid,,,,,[Pt+2],
,,,PT:B:2003,invalid,,,,,[Pt+2],
,,,PT:B:2008,invalid,,,,,[Pt+2],
,,,PT:B:2007,invalid,,,,,[Pt+2],
,,,PT:A:1203,invalid,,,,,[Pt+2],
,Family. Representative Entry is ,3RUN,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,IPA:A:206,invalid,,,,,CC(C)O,
,,,IPA:A:207,invalid,,,,,CC(C)O,
,,,MLU OMZ ASN GHP GHP OMY 3FG BGC RER:B:1,valid,Kd,=,3.6,uM,,
,,,MPD:A:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:202,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:103,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3DN4,,,,,,,
,,,HED:A:903,invalid,,,,,C(CSSCCO)O,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PIH:A:900,valid,Ka,=,51800,M^-1,c1ccc(cc1)I,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LI2,,,,,,,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,IPH:A:400,valid,Kd,=,91,uM,c1ccc(cc1)O,
,,3HH3,,,,,,,
,,,B20:A:169,valid,,,,,B1C=CC=CN1,
,,,HED:A:165,invalid,,,,,C(CSSCCO)O,
,,,HED:A:166,invalid,,,,,C(CSSCCO)O,
,,,NA:A:168,Part of Protein,,,,,[Na+],
,,,PO4:A:167,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4W53,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MBN:A:200,valid,Kd,=,102,uM,Cc1ccccc1,
,,3DMZ,,,,,,,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,HFB:A:900,valid,,,,,c1(c(c(c(c(c1F)F)F)F)F)F,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2OTZ,,,,,,,
,,,1MR:X:203,valid,Kd,=,357,uM,CNc1ccccc1,
,,,PO4:X:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LI6,,,,,,,
,,,5MP:A:400,valid,Ka,=,6300,M^-1,Cc1cc[nH]c1,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,5G27,,,,,,,
,,,HED:A:502,invalid,,,,,C(CSSCCO)O,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,MTN:A:501,valid,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,225L,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,PXY:A:169,valid,,,,,Cc1ccc(cc1)C,
,,1OV5,,,,,,,
,,,2LP:A:403,valid,,,,,C=CCc1ccccc1O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,2RBN,,,,,,,
,,,264:A:1001,valid,,,,,c1ccc(cc1)NCC#N,
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OV7,,,,,,,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,LYL:A:407,valid,,,,,Cc1cccc(c1O)CC=C,
,,2OTY,,,,,,,
,,,BME:X:304,invalid,,,,,C(CS)O,
,,,PO4:X:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YAN:X:305,valid,Kd,=,21,uM,c1ccc(c(c1)Cl)Cl,
,,1LGX,,,,,,,
,,,5AN:A:401,valid,,,,,c1c(cc(cc1F)F)N,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,4W54,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PYJ:A:200,valid,Kd,=,68,uM,CCc1ccccc1,
,,1L83,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,BNZ:A:400,valid,Kd,=,0.4,mM,c1ccccc1,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,3HT8,,,,,,,
,,,JZ2:A:167,valid,Kd,=,0.12,mM,Cc1ccc(cc1O)Cl,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DNA,,,,,,,
,,,BME:A:905,invalid,,,,,C(CS)O,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,HED:A:903,invalid,,,,,C(CSSCCO)O,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:906,invalid,,,,,C(CSSCCO)O,
,,,PIH:A:900,valid,Ka,=,40900,M^-1,c1ccc(cc1)I,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HH6,,,,,,,
,,,HED:A:165,invalid,,,,,C(CSSCCO)O,
,,,HED:A:166,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:167,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYJ:A:168,valid,,,,,CCc1ccccc1,
,,2RB1,,,,,,,
,,,261:X:1001,valid,,,,,CCOc1ccccc1O,
,,,261:X:1002,valid,,,,,CCOc1ccccc1O,
,,,PO4:X:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NHB,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,PYJ:A:401,valid,Ka,=,14800,M^-1,CCc1ccccc1,
,,2RAY,,,,,,,
,,,258:X:2001,valid,,,,,c1ccc(cc1)OCCCl,
,,,PO4:X:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HUA,,,,,,,
,,,BME:A:166,invalid,,,,,C(CS)O,
,,,BME:A:167,invalid,,,,,C(CS)O,
,,,JZ9:A:165,valid,Kd,=,0.278,mM,c1c[nH]c2c1CCCC2,
,,,PO4:A:168,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DN2,,,,,,,
,,,BBF:A:900,valid,,,,,c1(c(c(c(c(c1F)F)Br)F)F)F,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2F47,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,CL:A:600,invalid,,,,,[Cl-],
,,,MGX:A:300,valid,Kd,=,148,mM,[H]/N=C(/N)NC,
,,2RBO,,,,,,,
,,,265:A:1001,valid,,,,,c1cc(sc1)[N+](=O)[O-],
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DN0,,,,,,,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,F5B:A:900,valid,,,,,c1c(c(c(c(c1F)F)F)F)F,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,185L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,IND:A:400,valid,Kd,=,289,uM,c1ccc2c(c1)cc[nH]2,
,,186L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,N4B:A:400,valid,Kd,=,14,uM,CCCCc1ccccc1,
,,3GUK,,,,,,,
,,,ACT:B:165,invalid,,,,,CC(=O)[O-],
,,,ACT:B:166,invalid,,,,,CC(=O)[O-],
,,,CA:A:165,invalid,,,,,[Ca+2],
,,,CL:A:166,invalid,,,,,[Cl-],
,,,CL:A:167,invalid,,,,,[Cl-],
,,,CL:B:167,invalid,,,,,[Cl-],
,,,MBN:A:501,valid,Ka,=,14100,M^-1,Cc1ccccc1,
,,,MBN:B:501,valid,Ka,=,14100,M^-1,Cc1ccccc1,
,,5JWV,,,,,,,
,,,PYJ:A:201,valid,Ka,=,14100,M^-1,CCc1ccccc1,
,,4W52,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BNZ:A:200,valid,Kd,=,175,uM,c1ccccc1,
,,1XEP,,,,,,,
,,,BME:A:610,invalid,,,,,C(CS)O,
,,,CAQ:A:606,valid,,,,,c1ccc(c(c1)O)O,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HTG,,,,,,,
,,,BME:A:166,invalid,,,,,C(CS)O,
,,,JZ7:A:167,valid,,,,,CCO[C@@H]1CCC=CO1,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,227L,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,BNZ:A:169,valid,,,,,c1ccccc1,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,3HU8,,,,,,,
,,,261:A:167,valid,Kd,=,0.79,mM,CCOc1ccccc1O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HTF,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,JZ6:A:166,valid,,,,,c1c(cn[nH]1)Cl,
,,,JZ6:A:167,valid,,,,,c1c(cn[nH]1)Cl,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RBP,,,,,,,
,,,266:A:1001,valid,,,,,CCCSCCO,
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HH4,,,,,,,
,,,BNZ:A:168,valid,,,,,c1ccccc1,
,,,HED:A:165,invalid,,,,,C(CSSCCO)O,
,,,HED:A:166,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:167,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RAZ,,,,,,,
,,,259:X:1001,valid,,,,,CSc1ccc(cc1)[N+](=O)[O-],
,,,PO4:X:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,182L,,,,,,,
,,,BZF:A:401,valid,Ka,=,8900,M^-1,c1ccc2c(c1)cco2,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,1OVH,,,,,,,
,,,2CM:A:404,valid,,,,,Cc1cccc(c1N)Cl,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,3HT6,,,,,,,
,,,JZ0:A:167,valid,Kd,=,0.36,mM,Cc1ccccc1O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5JWS,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,6OQ:A:201,valid,Ka,=,9000,M^-1,B1(C=CC=CN1)CC,
,,1L84,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,BNZ:A:400,valid,,,,,c1ccccc1,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,3HUQ,,,,,,,
,,,BME:A:165,invalid,,,,,C(CS)O,
,,,BME:A:166,invalid,,,,,C(CS)O,
,,,BME:A:167,invalid,,,,,C(CS)O,
,,,J1Z:A:164,valid,Kd,=,0.25,mM,c1csc2c1scc2,
,,,PO4:A:163,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DMX,,,,,,,
,,,BNZ:A:900,valid,Kd,=,58.5,uM,c1ccccc1,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,188L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,OXE:A:400,valid,Kd,=,469,uM,Cc1ccccc1C,
,,3DN8,,,,,,,
,,,BME:A:905,invalid,,,,,C(CS)O,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,HED:A:903,invalid,,,,,C(CSSCCO)O,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:906,invalid,,,,,C(CSSCCO)O,
,,,IBF:A:900,valid,,,,,c1(c(c(c(c(c1F)F)I)F)F)F,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HT9,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,JZ3:A:167,valid,,,,,COc1ccccc1O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4W57,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,N4B:A:200,valid,Kd,=,14,uM,CCCCc1ccccc1,
,,5JWT,,,,,,,
,,,BNZ:A:201,valid,Ka,=,18900,M^-1,c1ccccc1,
,,3GUM,,,,,,,
,,,ACT:A:166,invalid,,,,,CC(=O)[O-],
,,,ACT:B:168,invalid,,,,,CC(=O)[O-],
,,,CA:B:165,invalid,,,,,[Ca+2],
,,,CL:A:165,invalid,,,,,[Cl-],
,,,CL:B:166,invalid,,,,,[Cl-],
,,,CL:B:167,invalid,,,,,[Cl-],
,,,PXY:A:501,valid,Ka,=,6610,M^-1,Cc1ccc(cc1)C,
,,,PXY:B:501,valid,Ka,=,6610,M^-1,Cc1ccc(cc1)C,
,,181L,,,,,,,
,,,BNZ:A:400,valid,Ka,=,5700,M^-1,c1ccccc1,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,3DN3,,,,,,,
,,,HED:A:903,invalid,,,,,C(CSSCCO)O,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,IBF:A:900,valid,Ka,=,3330,M^-1,c1(c(c(c(c(c1F)F)I)F)F)F,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RBQ,,,,,,,
,,,263:A:1001,valid,,,,,Cc1cccc(c1)CN=[N+]=[N-],
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RB2,,,,,,,
,,,263:X:1001,valid,,,,,Cc1cccc(c1)CN=[N+]=[N-],
,,,PO4:X:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LI3,,,,,,,
,,,3CH:A:401,valid,Kd,=,56,uM,c1cc(cc(c1)Cl)O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,2RBR,,,,,,,
,,,268:A:1001,valid,,,,,c1ccc(cc1)OCCO,
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5JWU,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,B20:A:201,valid,Ka,=,87700,M^-1,B1C=CC=CN1,
,,3GUL,,,,,,,
,,,ACT:A:165,invalid,,,,,CC(=O)[O-],
,,,ACT:A:166,invalid,,,,,CC(=O)[O-],
,,,CA:B:165,invalid,,,,,[Ca+2],
,,,CL:B:166,invalid,,,,,[Cl-],
,,,PYJ:A:501,valid,Ka,=,22800,M^-1,CCc1ccccc1,
,,,PYJ:B:501,valid,Ka,=,22800,M^-1,CCc1ccccc1,
,,4W58,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,3H2:A:200,valid,,,,,CCCCCc1ccccc1,
,,184L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,I4B:A:401,valid,Ka,=,51000,M^-1,CC(C)Cc1ccccc1,
,,3GUO,,,,,,,
,,,CA:A:166,invalid,,,,,[Ca+2],
,,,CL:A:165,invalid,,,,,[Cl-],
,,,CL:B:165,invalid,,,,,[Cl-],
,,,CL:B:166,invalid,,,,,[Cl-],
,,,IPH:A:501,valid,Ka,=,9150,M^-1,c1ccc(cc1)O,
,,,IPH:B:501,valid,Ka,=,9150,M^-1,c1ccc(cc1)O,
,,3HTD,,,,,,,
,,,BME:A:167,invalid,,,,,C(CS)O,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,JZ5:A:166,valid,,,,,c1cc(sc1)/C=NO,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HTB,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,JZ4:A:167,valid,Kd,=,73.9,uM,CCCc1ccccc1O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,187L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,,PXY:A:400,valid,Kd,=,422,uM,Cc1ccc(cc1)C,
,,1OVJ,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,FLM:A:408,valid,,,,,Cc1c(cccc1F)N,
,,4W55,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,3H0:A:200,valid,Kd,=,18,uM,CCCc1ccccc1,
,,3GUJ,,,,,,,
,,,BME:A:165,invalid,,,,,C(CS)O,
,,,BNZ:A:501,valid,Ka,=,37200,M^-1,c1ccccc1,
,,,CO3:A:166,invalid,,,,,C(=O)([O-])[O-],
,,,EPE:A:167,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,SO4:A:168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LWO,,,,,,,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RXR:A:201,valid,,,,,CC1(C(=C(C(N1[O])(C)C)CS)CS)C,
,,,BME:A:208,invalid,,,,,C(CS)O,
,,,HED:A:204,invalid,,,,,C(CSSCCO)O,
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,K:A:209,Part of Protein,,,,,[K+],
,,,K:A:210,Part of Protein,,,,,[K+],
,,3HU9,,,,,,,
,,,NBE:A:166,valid,,,,,c1ccc(cc1)N=O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LGW,,,,,,,
,,,1AN:A:401,valid,Kd,=,100,uM,c1ccc(c(c1)N)F,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,3DN6,,,,,,,
,,,F3B:A:900,valid,,,,,c1(c(c(c(c(c1Cl)F)Cl)F)Cl)F,
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RB0,,,,,,,
,,,260:X:1001,valid,,,,,c1cc(c(c(c1)F)CBr)F,
,,,PO4:X:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2RBS,,,,,,,
,,,269:A:1001,valid,,,,,c1ccc(cc1)[C@@H](CCCl)O,
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2OU0,,,,,,,
,,,MR3:X:303,valid,Kd,=,592,uM,Cn1cccc1,
,,,MR3:X:304,valid,Kd,=,592,uM,Cn1cccc1,
,,,PO4:X:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HH5,,,,,,,
,,,B24:A:168,valid,,,,,B1C=CC=CN1CC,
,,,HED:A:165,invalid,,,,,C(CSSCCO)O,
,,,NA:A:166,Part of Protein,,,,,[Na+],
,,,PO4:A:167,invalid,,,,,[O-]P(=O)([O-])[O-],
,,220L,,,,,,,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,BNZ:A:169,valid,Kd,=,0.4,mM,c1ccccc1,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,5JDT,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,MTN:A:201,valid,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,BME:A:205,invalid,,,,,C(CS)O,
,,,AZI:A:207,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:206,invalid,,,,,[N-]=[N+]=[N-],
,,,K:A:208,Part of Protein,,,,,[K+],
,,1OVK,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,NYL:A:405,valid,,,,,C=CCNc1ccccc1,
,,3HUK,,,,,,,
,,,BME:A:167,invalid,,,,,C(CS)O,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,J0Z:A:166,valid,Kd,=,0.35,mM,CC(=O)OCc1ccccc1,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4W59,,,,,,,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,3GZ:A:200,valid,,,,,CCCCCCc1ccccc1,
,,223L,,,,,,,
,,,BME:A:900,invalid,,,,,C(CS)O,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,BME:A:902,invalid,,,,,C(CS)O,
,,,BNZ:A:169,valid,Kd,=,0.4,mM,c1ccccc1,
,,,CL:A:178,invalid,,,,,[Cl-],
,,3GUP,,,,,,,
,,,0PY:A:169,valid,,,,,c1ccncc1,
,,,0PY:A:501,valid,,,,,c1ccncc1,
,,,0PY:B:501,valid,,,,,c1ccncc1,
,,,CL:A:167,invalid,,,,,[Cl-],
,,,CL:A:168,invalid,,,,,[Cl-],
,,,CL:B:166,invalid,,,,,[Cl-],
,,,CL:B:167,invalid,,,,,[Cl-],
,,,CO3:A:165,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:165,invalid,,,,,C(=O)([O-])[O-],
,,,MG:A:166,invalid,,,,,[Mg+2],
,,3HT7,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,JZ1:A:167,valid,Kd,=,0.28,mM,CCc1ccccc1O,
,,,PO4:A:165,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:166,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OWY,,,,,,,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,PRY:A:406,valid,,,,,CCCc1ccccc1N,
,,3DN1,,,,,,,
,,,BCF:A:900,valid,,,,,c1(c(c(c(c(c1F)F)Cl)F)F)F,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HED:A:904,invalid,,,,,C(CSSCCO)O,
,,,HED:A:905,invalid,,,,,C(CSSCCO)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4W56,,,,,,,
,,,3GY:A:200,valid,,,,,CC[C@@H](C)c1ccccc1,
,,,EPE:A:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,183L,,,,,,,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,,,DEN:A:400,valid,Ka,=,5170,M^-1,c1ccc2c(c1)CC=C2,
,,,HED:A:170,invalid,,,,,C(CSSCCO)O,
,,2F32,,,,,,,
,,,BME:A:600,invalid,,,,,C(CS)O,
,,,EGD:A:300,valid,Kd,=,73,mM,[H]/N=C(N)/NCC,
,,5JWW,,,,,,,
,,,6OQ:A:202,valid,Ka,=,20800,M^-1,B1(C=CC=CN1)CC,
,,,CL:A:201,invalid,,,,,[Cl-],
,,1OWZ,,,,,,,
,,,4FA:A:409,valid,,,,,c1cc(ccc1CCO)F,
,,,BME:A:168,invalid,,,,,C(CS)O,
,,,BME:A:169,invalid,,,,,C(CS)O,
,,,BME:A:170,invalid,,,,,C(CS)O,
,,,CL:A:173,invalid,,,,,[Cl-],
,,,CL:A:178,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4HP0,,,,,,,
,,,NAG NOJ NAG NAG:B:1,valid,Kd,=,0.76,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(O)C[NH2+]C2CO)OC1CO)C,
,,4Z46,,,,,,,
,,,1PT:A:214,valid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,NA:A:212,Part of Protein,,,,,[Na+],
,,,NA:A:213,Part of Protein,,,,,[Na+],
,,,NO3:A:211,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:210,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:209,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:208,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,CPT:A:215,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,4YEO,,,,,,,
,,,NO3:A:211,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:209,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:212,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:213,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:215,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:210,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:214,invalid,,,,,[N+](=O)([O-])[O-],
,,,ACT:A:216,invalid,,,,,CC(=O)[O-],
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,,DMS:A:208,invalid,,,,,CS(=O)C,
,,,PT:A:202,invalid,,,,,[Pt+2],
,,,PT:A:204,invalid,,,,,[Pt+2],
,,,PT:A:203,invalid,,,,,[Pt+2],
,,,PT:A:205,invalid,,,,,[Pt+2],
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,CPT:A:201,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,6WRM,,,,,,,
,,,U8G:A:205,valid,,,,,CC(C)(C)OC(=O)NC(CC1=C[N](=C(N1C)[Rh])C)C(=O)OC,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,1AT5,,,,,,,
,,,CL:A:141,invalid,,,,,[Cl-],
,,,NA:A:140,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG:B:1,valid,Kd,=,0.0000666,M,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4OWA,,,,,,,
,,,ACT:B:218,invalid,,,,,CC(=O)[O-],
,,,IOD:A:206,invalid,,,,,[I-],
,,,IOD:B:205,invalid,,,,,[I-],
,,,IOD:A:217,invalid,,,,,[I-],
,,,IOD:B:212,invalid,,,,,[I-],
,,,IOD:B:204,invalid,,,,,[I-],
,,,IOD:A:214,invalid,,,,,[I-],
,,,IOD:A:210,invalid,,,,,[I-],
,,,IOD:B:207,invalid,,,,,[I-],
,,,IOD:A:213,invalid,,,,,[I-],
,,,IOD:B:201,invalid,,,,,[I-],
,,,IOD:B:211,invalid,,,,,[I-],
,,,IOD:A:208,invalid,,,,,[I-],
,,,IOD:A:203,invalid,,,,,[I-],
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:211,invalid,,,,,[I-],
,,,IOD:B:209,invalid,,,,,[I-],
,,,IOD:B:208,invalid,,,,,[I-],
,,,IOD:A:219,invalid,,,,,[I-],
,,,IOD:B:206,invalid,,,,,[I-],
,,,IOD:A:218,invalid,,,,,[I-],
,,,IOD:A:212,invalid,,,,,[I-],
,,,IOD:B:203,invalid,,,,,[I-],
,,,IOD:A:209,invalid,,,,,[I-],
,,,IOD:B:202,invalid,,,,,[I-],
,,,IOD:A:201,invalid,,,,,[I-],
,,,IOD:B:213,invalid,,,,,[I-],
,,,IOD:B:210,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:216,invalid,,,,,[I-],
,,,IOD:A:202,invalid,,,,,[I-],
,,,IOD:A:215,invalid,,,,,[I-],
,,,DMS:A:222,invalid,,,,,CS(=O)C,
,,,DMS:A:224,invalid,,,,,CS(=O)C,
,,,DMS:B:216,invalid,,,,,CS(=O)C,
,,,DMS:A:223,invalid,,,,,CS(=O)C,
,,,DMS:B:217,invalid,,,,,CS(=O)C,
,,,DMS:B:215,invalid,,,,,CS(=O)C,
,,,QPT:B:214,valid,,,,,C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+],
,,,QPT:A:220,valid,,,,,C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+],
,,,QPT:A:221,invalid,,,,,C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+],
,,1LZY,,,,,,,
,,,NDG NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,,3A3Q,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6BO1,,,,,,,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,E3D:A:202,valid,,,,,Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C,
,,6SYD,,,,,,,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,LYE:A:202,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,6QEA,,,,,,,
,,,NO3:A:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:402,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,J9H:A:405,valid,,,,,Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,6GOH,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,F7T:A:207,valid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,F7T:A:206,valid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,PT:A:204,invalid,,,,,[Pt+2],
,,,PT:A:203,invalid,,,,,[Pt+2],
,,1HEW,,,,,,,
,,,NAG NAG NAG:B:1,valid,Kd,=,10,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6QNB,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3QE8,,,,,,,
,,,CL:B:200,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,EDO:A:190,invalid,,,,,C(CO)O,
,,,EDO:A:191,invalid,,,,,C(CO)O,
,,,REI:A:150,valid,,,,,C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2],
,,,REI:B:170,valid,,,,,C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2],
,,4XN6,,,,,,,
,,,BAM:A:201,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,1LZB,,,,,,,
,,,NAG NAG NAG:B:1,valid,Kd,=,13,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2H9K,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MM6:A:201,valid,,,,,C1CN2CCN3[Ni]24N(C1)CCN4CCC3,
,,,MM6:A:202,valid,,,,,C1CN2CCN3[Ni]24N(C1)CCN4CCC3,
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,4TUN,,,,,,,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,MVH:A:201,valid,,,,,CC(=CC(=O)NC)OP(=O)(O)OC,
,,,MVH:B:201,valid,,,,,CC(=CC(=O)NC)OP(=O)(O)OC,
,,5NJP,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,4Z41,,,,,,,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:213,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,4KV:A:201,valid,,,,,CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,1T3P,,,,,,,
,,,ACT:A:234,invalid,,,,,CC(=O)[O-],
,,,CL:A:230,invalid,,,,,[Cl-],
,,,CL:A:231,invalid,,,,,[Cl-],
,,,NA:A:232,Part of Protein,,,,,[Na+],
,,,RU7:A:233,valid,,,,,CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl,
,,5NJQ,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1LZC,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,4HPI,,,,,,,
,,,NAG NOJ NAG:B:1,valid,Kd,=,14.2,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C[NH2+]C1CO)C,
,,2H9J,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MM5:A:201,valid,,,,,c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8,
,,,MM5:A:202,valid,,,,,c1cc(ccc1C[N@]23CCCN4[Ni]25N(CCCN5CC3)CC4)C[N@]67CCC[N@@]8[Ni@@]69[N@](CCC[N@]9CC7)CC8,
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,NI:A:206,Part of Protein,,,,,[Ni+2],
,,6TVL,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NYN:A:203,valid,,,,,C1C[N-][Ru]23([N-]1)[S-]4CC[S-]2CC[S-]3CC4,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,TFS:A:204,valid,,,,,C(F)(F)(F)S(=O)(=O)O,
,,4XEN,,,,,,,
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,1UIB,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6SYE,,,,,,,
,,,LYE:A:203,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:A:202,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,CL:A:201,invalid,,,,,[Cl-],
,,6RNB,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5NJR,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4ZEE,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:409,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:402,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,1PT:A:412,valid,Kd,=,1.51,mM,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,CPT:A:413,invalid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,4PRQ,,,,,,,
,,,T3Y:A:201,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,T3Y:B:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,T3Y:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,T3Y:B:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,T3Y:B:201,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,MG:B:207,invalid,,,,,[Mg+2],
,,,MG:D:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,P6G:A:204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:A:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG6:B:206,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,3TXJ,,,,,,,
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,CL:A:1131,invalid,,,,,[Cl-],
,,,CL:A:1133,invalid,,,,,[Cl-],
,,,CL:A:1130,invalid,,,,,[Cl-],
,,,CL:A:1132,invalid,,,,,[Cl-],
,,,CL:A:1136,invalid,,,,,[Cl-],
,,,CL:A:1135,invalid,,,,,[Cl-],
,,,CL:A:1134,invalid,,,,,[Cl-],
,,,NAG:A:130,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:1138,Part of Protein,,,,,[Na+],
,,1JEF,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YIK,,,,,,,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,MM1:A:500,valid,,,,,C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3,
,,,MM1:A:501,valid,,,,,C1C[N@@H]2CC[N@@H]3[Cu]24[N@@H](C1)CC[N@@H]4CCC3,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,1LZG,,,,,,,
,,,NAG NAG:B:1,valid,Kd,=,0.14,mM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3QNG,,,,,,,
,,,CL:A:210,invalid,,,,,[Cl-],
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,NA:A:220,Part of Protein,,,,,[Na+],
,,,REJ:A:200,valid,,,,,C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O,
,,6FSJ,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,CIT:A:204,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1LJN,,,,,,,
,,,SO4:A:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:133,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6SYC,,,,,,,
,,,LYE:B:204,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:B:207,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:A:203,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:B:206,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:B:203,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:B:208,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:B:205,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,LYE:A:202,valid,,,,,c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3cc(c(c(c3)Br)O)Br)S(=O)(=O)O,
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,IMD:A:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:B:202,invalid,,,,,[Cl-],
,,5NJS,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,1YL1,,,,,,,
,,,ETF:X:1940,valid,,,,,C(C(F)(F)F)O,
,,,ETF:X:1941,valid,,,,,C(C(F)(F)F)O,
,,,NA:X:1076,Part of Protein,,,,,[Na+],
,,1B0D,,,,,,,
,,,TSU:A:130,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,1LZE,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,Kd,=,83,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,4Z3M,,,,,,,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,4KV:A:201,valid,,,,,CCSC1=[S][Pt](OC(=C1)c2cccc(c2)O)(S(C)(C)O)Cl,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,1UIH,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1AT6,,,,,,,
,,,NAG NAG NAG:B:1,valid,Kd,=,0.000085,M,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1YIL,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,MM2:A:500,valid,,,,,c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8,
,,,MM2:A:501,valid,,,,,c1cc(ccc1C[N@]23CCC[N@H]4[Cu@@]25[N@H](CCC[N@H]5CC3)CC4)C[N@@]67CCC[N@H]8[Cu]69[N@H](CCC[N@H]9CC7)CC8,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,6BO2,,,,,,,
,,,E3D:A:203,valid,,,,,Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C,
,,,E3D:A:204,valid,,,,,Cn1c2ccccc2[n+](c1[Ru](Cl)Cl)C,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,RU:A:202,invalid,,,,,[Ru+3],
,,2PC2,,,,,,,
,,,CL:A:206,invalid,,,,,[Cl-],
,,,EU:A:201,invalid,,,,,[Eu+2],
,,,EU:A:202,invalid,,,,,[Eu+2],
,,,EU:A:203,invalid,,,,,[Eu+2],
,,,EU:A:204,invalid,,,,,[Eu+2],
,,,EU:A:205,invalid,,,,,[Eu+2],
,,,PDC:A:302,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:303,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:304,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:403,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:404,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:502,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:503,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:504,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:602,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:603,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:604,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:702,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,4N8Z,,,,,,,
,,,BEN:A:208,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:207,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,5B5J,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,UTX:A:202,valid,,,,,B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N,
,,,UTX:A:201,valid,,,,,B1234B567B189B212B33%10B454B656B787B911B232B4%105B7612S(CCC#N)CC(=O)NC(=O)OCCCCCCNC1C(N(c2ccccc2N1O)O)C#N,
,,6RNC,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6GOB,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,F6Q:A:209,valid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,F6Q:A:208,valid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,F6Q:A:206,invalid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,F6Q:A:205,invalid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,F6Q:A:207,valid,,,,,c1ccc2c(c1)n(c-3[n+]2[Pd]([n+]4c3cccc4)(Cl)Cl)CCCS(=O)(=O)O,
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:A:213,invalid,,,,,[Cl-],
,,,PD:A:201,Part of Protein,,,,,[Pd+2],
,,,PD:A:202,Part of Protein,,,,,[Pd+2],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5V86,,,,,,,
,,,8ZA:A:2001,valid,ic50,=,80,nM,CCCCN1CCC(CC1)N(Cc2ccccc2)C(=O)Nc3ccc(c(c3)Cl)Cl,
,,5V83,,,,,,,
,,,8Z7:A:401,valid,ic50,=,7,uM,c1ccc(cc1)CN2CCC(CC2)NC(=O)Nc3cccc(c3)C(F)(F)F,
,,6BG3,,,,,,,
,,,DOJ:A:1301,valid,ic50,=,12,uM,C[C@@H](O)O[C@H]1CN(CC[C@@H]1NC(=O)Nc2cccc(c2)C(F)(F)F)Cc3ccccc3,
,,6P5V,,,,,,,
,,,MPD:A:1301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,O37:A:1302,valid,ic50,=,0.2,uM,CCN1c2c(c(nn2[C@H]3CCC=CC3)C)[C@@H]([C@@H](C1=O)NC(=O)c4cccc(c4)C)c5ccc(cc5)F,
,,6BG5,,,,,,,
,,,DQD:A:1301,valid,ic50,=,1,uM,CCCN1CCC(CC1)N(Cc2ccc3c(c2)OCO3)C(=O)Nc4cccc(c4)C(F)(F)F,
,,6P5W,,,,,,,
,,,O0A:A:1301,valid,ic50,=,5.1,uM,Cc1ccc(cc1)[C@H]2c3c(nn(c3NC(=O)[C@H]2NC(=O)c4cccc(c4)C)c5ccccc5)C,
,Family. Representative Entry is ,3GXR,,,,,,,
,,,NAG NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4EKQ,,,,,,,
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,HED:A:207,invalid,,,,,C(CSSCCO)O,
,,,NPO:A:202,valid,Kd,=,2,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:203,valid,Kd,=,2,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:B:202,valid,Kd,=,2,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I7Q,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:A:211,invalid,,,,,C(CS)O,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1DQ:B:202,valid,,,,,c1c([nH]cn1)C(F)(F)F,
,,,1DQ:A:202,valid,,,,,c1c([nH]cn1)C(F)(F)F,
,,,HED:A:212,invalid,,,,,C(CSSCCO)O,
,,,ACT:A:209,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,4EKS,,,,,,,
,,,0R1:A:202,valid,,,,,c1ccc2c(c1)cno2,
,,,0R1:B:202,valid,,,,,c1ccc2c(c1)cno2,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,HED:B:207,invalid,,,,,C(CSSCCO)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I7M,,,,,,,
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:209,invalid,,,,,CC(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BME:B:204,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:205,invalid,,,,,C(CS)O,
,,,BME:A:205,invalid,,,,,C(CS)O,
,,,2LP:B:202,valid,Ka,=,13900,M^-1,C=CCc1ccccc1O,
,,,2LP:A:202,valid,Ka,=,13900,M^-1,C=CCc1ccccc1O,
,,,HED:A:206,invalid,,,,,C(CSSCCO)O,
,,4I7J,,,,,,,
,,,BNZ:B:202,valid,Kd,=,480,uM,c1ccccc1,
,,,BNZ:A:202,valid,Kd,=,480,uM,c1ccccc1,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:A:208,invalid,,,,,C(CS)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,BME:B:207,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:A:209,invalid,,,,,C(CS)O,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,HED:A:210,invalid,,,,,C(CSSCCO)O,
,,4I7N,,,,,,,
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,1DJ:B:203,valid,,,,,C#C[C@H](c1ccccc1)O,
,,,1DJ:A:202,valid,,,,,C#C[C@H](c1ccccc1)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:A:208,invalid,,,,,C(CS)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:B:207,invalid,,,,,C(CS)O,
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HED:A:209,invalid,,,,,C(CSSCCO)O,
,,4I7S,,,,,,,
,,,1DV:A:202,valid,,,,,Cc1cc(n[nH]1)C(F)(F)F,
,,,1DV:B:202,valid,,,,,Cc1cc(n[nH]1)C(F)(F)F,
,,,HED:A:208,invalid,,,,,C(CSSCCO)O,
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I7P,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HED:A:210,invalid,,,,,C(CSSCCO)O,
,,,ES3:A:202,valid,Ka,=,3155,M^-1,c1c(nc[nH]1)Br,
,,,ES3:B:202,valid,Ka,=,3155,M^-1,c1c(nc[nH]1)Br,
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:A:209,invalid,,,,,C(CS)O,
,,4I7L,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,BME:A:208,invalid,,,,,C(CS)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPH:B:202,valid,Kd,=,103,uM,c1ccc(cc1)O,
,,,IPH:A:202,valid,Kd,=,103,uM,c1ccc(cc1)O,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,HED:A:209,invalid,,,,,C(CSSCCO)O,
,,4EKR,,,,,,,
,,,0R0:A:202,valid,,,,,c1ccc(c(c1)C#N)O,
,,,0R0:A:203,valid,,,,,c1ccc(c(c1)C#N)O,
,,,0R0:B:203,valid,,,,,c1ccc(c(c1)C#N)O,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,HED:A:208,invalid,,,,,C(CSSCCO)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I7R,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HED:A:210,invalid,,,,,C(CSSCCO)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:207,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:A:209,invalid,,,,,C(CS)O,
,,,BME:A:202,invalid,,,,,C(CS)O,
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,1DU:B:203,valid,,,,,c1cnn(c1)CCO,
,,,1DU:A:203,valid,,,,,c1cnn(c1)CCO,
,,4I7K,,,,,,,
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:208,invalid,,,,,CC(=O)[O-],
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,BME:B:210,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:203,invalid,,,,,C(CS)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,BME:A:206,invalid,,,,,C(CS)O,
,,,BME:B:209,invalid,,,,,C(CS)O,
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HED:A:207,invalid,,,,,C(CSSCCO)O,
,,,MBN:A:202,valid,Kd,=,905,uM,Cc1ccccc1,
,,,MBN:B:204,valid,Kd,=,905,uM,Cc1ccccc1,
,,4I7T,,,,,,,
,,,HED:A:208,invalid,,,,,C(CSSCCO)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1DW:A:202,valid,,,,,c1cc(c(cc1O)C=O)Br,
,,,1DW:B:202,valid,,,,,c1cc(c(cc1O)C=O)Br,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,4EKP,,,,,,,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,BME:B:201,invalid,,,,,C(CS)O,
,,,BME:B:206,invalid,,,,,C(CS)O,
,,,HED:B:207,invalid,,,,,C(CSSCCO)O,
,,,NBZ:A:202,valid,,,,,c1ccc(cc1)[N+](=O)[O-],
,,,NBZ:B:202,valid,,,,,c1ccc(cc1)[N+](=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I7O,,,,,,,
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,BME:B:208,invalid,,,,,C(CS)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,BME:A:208,invalid,,,,,C(CS)O,
,,,BME:A:207,invalid,,,,,C(CS)O,
,,,HED:A:209,invalid,,,,,C(CSSCCO)O,
,,,1DH:B:203,valid,,,,,c1c(sc(n1)N)Cl,
,,,1DH:A:202,valid,,,,,c1c(sc(n1)N)Cl,
,Family. Representative Entry is ,1OBA,,,,,,,
,,,CHT:A:1340,valid,Kd,=,3.6,mM,C[N+](C)(C)CCO,
,,,CHT:A:1341,valid,Kd,=,3.6,mM,C[N+](C)(C)CCO,
,,2IXV,,,,,,,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,MUB ALA NAG DGN:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C)C)CCC(=O)N,
,,2IXU,,,,,,,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,MUB ALA NAG ZGL:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)CCC(=O)[O-])C)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
,Family. Representative Entry is ,154L,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1LSP,,,,,,,
,,,BUL:A:295,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,Family. Representative Entry is ,6PS3,,,,,,,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:1206,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CVD:A:1201,valid,Ki,=,0.166,nM,COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O,
,,2RH1,,,,,,,
,,,12P:A:416,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ACM:A:411,Part of Protein,,,,,CC(=O)N,
,,,BU1:A:409,invalid,,,,,C(CCO)CO,
,,,BU1:A:410,invalid,,,,,C(CCO)CO,
,,,CAU:A:408,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O,
,,,CLR:A:412,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:413,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:414,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PLM:A:415,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5D5A,,,,,,,
,,,CAU:A:1202,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O,
,,,BU1:A:1203,invalid,,,,,C(CCO)CO,
,,,BU1:A:1204,invalid,,,,,C(CCO)CO,
,,,SO4:A:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CLR:A:1206,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1208,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1207,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,ACM:A:1205,invalid,,,,,CC(=O)N,
,,,PLM:A:1209,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,12P:A:1210,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,BGC GLC:B:1,valid,,,,,,
,,6PS2,,,,,,,
,,,OLB:A:1208,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1207,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1206,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1210,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1205,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1203,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1204,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OLC:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:1202,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,JTZ:A:1201,valid,Ki,=,1,nM,CC(C)NC[C@@H](COc1ccccc1CC=C)O,
,Family. Representative Entry is ,5EE7,,,,,,,
,,,OLA:A:1204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1202,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,TLA:A:1217,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,5MV:A:1201,valid,Kd,=,0.62,nM,C[C@@H](c1ccc(cc1)C(=O)NCCC(=O)O)n2c(cc(n2)c3cc(cc(c3)Cl)Cl)c4ccc5cc(ccc5c4)OC,
,,,PE5:A:1216,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,3ODU,,,,,,,
,,,ITD:A:1500,valid,,,,,CC1(CN2C(=CSC2=N1)CS/C(=NC3CCCCC3)/NC4CCCCC4)C,
,,,ITD:B:1500,valid,,,,,CC1(CN2C(=CSC2=N1)CS/C(=NC3CCCCC3)/NC4CCCCC4)C,
,,,OLA:A:1610,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1605,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1606,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1607,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1608,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:1609,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1600,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1603,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1604,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:1601,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:1602,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,5X93,,,,,,,
,,,K87:A:1201,valid,ic50,=,150,nM,Cc1cccc(c1NC(=O)CCOc2c(c(nc(n2)c3ncccn3)NS(=O)(=O)c4ccc(cc4)C(C)(C)C)Oc5ccccc5OC)C,
,,,OLC:A:1202,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,SO4:A:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CLR:A:1213,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,1BB6,,,,,,,
,,,UMG:A:130,valid,Ka,=,500000,M^-1,CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C,
,,1LMP,,,,,,,
,,,NDG NAG NAG:B:1,valid,,,,,,
,,1LMO,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1BB7,,,,,,,
,,,GUM:A:130,valid,Ka,=,15000,M^-1,CC1=CC(=O)Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)O)NC(=O)C,
,,1LMQ,,,,,,,
,,,NDG NAG NAG NAG:B:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,1LMC,,,,,,,
,,,BUL:A:130,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,Family. Representative Entry is ,1LZR,,,,,,,
,,,CL:A:131,invalid,,,,,[Cl-],
,,,CL:A:132,invalid,,,,,[Cl-],
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1LZS,,,,,,,
,,,NA:A:131,Part of Protein,,,,,[Na+],
,,,NA:B:131,Part of Protein,,,,,[Na+],
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1LMT,,,,,,,
,,,CL:A:145,invalid,,,,,[Cl-],
,,,CL:A:146,invalid,,,,,[Cl-],
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1BB5,,,,,,,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6FFI,,,,,,,
,,,OLA:A:4001,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4008,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4007,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:4005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,D8B:A:4009,valid,ic50,=,8,nM,Cc1cccc(n1)C#Cc2cccc(c2)OC,
,,,MES:A:4006,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,4PHU,,,,,,,
,,,OLC:A:2404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,1PE:A:2407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,DMS:A:2408,invalid,,,,,CS(=O)C,
,,,2YB:A:2401,valid,Kd,=,12.04,nM,Cc1cc(cc(c1c2cccc(c2)COc3ccc4c(c3)OC[C@H]4CC(=O)O)C)OCCCS(=O)(=O)C,
,,5TZR,,,,,,,
,,,NA:A:2401,invalid,,,,,[Na+],
,,,1PE:A:2412,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2413,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,OLC:A:2404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,MLI:A:2403,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MK6:A:2402,valid,,,,,Cc1cc(cc(c1c2cccc(c2)COc3cc4c(cn3)[C@H]5[C@@H](C4)[C@@H]5C(=O)O)C)OCCCS(=O)(=O)C,
,Family. Representative Entry is ,7BVQ,,,,,,,
,,,PG4:A:1414,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1413,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1415,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1406,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1WV:A:1409,invalid,,,,,CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O,
,,,1WV:B:1405,invalid,,,,,CCCCCCC=CCCCCCC(=O)OC[C@H](CO)O,
,,,NA:A:1410,Part of Protein,,,,,[Na+],
,,,CIT:A:1412,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1411,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CAU:B:1401,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O,
,,,CAU:A:1402,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1c3ccccc3[nH]2)O,
,,,CLR:A:1401,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,GLC GLC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2WW5,,,,,,,
,,,CHT:A:701,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:702,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:703,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:704,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:705,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:706,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:707,valid,,,,,C[N+](C)(C)CCO,
,,,CL:A:801,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,2WWD,,,,,,,
,,,CHT:A:612,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:613,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:611,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:608,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:609,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:614,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:610,valid,,,,,C[N+](C)(C)CCO,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,MUB ALA NAG GLN:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C)C)CCC=O,
,,2WWC,,,,,,,
,,,CHT:A:701,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:702,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:703,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:704,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:705,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:706,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:707,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:708,valid,,,,,C[N+](C)(C)CCO,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6T6C,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,CL:A:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2H5Z,,,,,,,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6D9M,,,,,,,
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,POP:A:204,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GMP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1LSZ,,,,,,,
,,,NDG NAG NAG NAG:B:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
1.4.3.4,,,,,,,,,
,Family. Representative Entry is ,2Z5Y,,,,,,,
,,,DCX:A:1,invalid,,,,,CCCCCCCCCCP(=O)(C)C,
,,,DCX:A:2,invalid,,,,,CCCCCCCCCCP(=O)(C)C,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HRM:A:700,valid,,,,,Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC,
,,2Z5X,,,,,,,
,,,DCX:A:1,invalid,,,,,CCCCCCCCCCP(=O)(C)C,
,,,DCX:A:2,invalid,,,,,CCCCCCCCCCP(=O)(C)C,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,HRM:A:700,valid,,,,,Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC,
,Family. Representative Entry is ,2VVL,,,,,,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:C:601,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:D:601,invalid,,,,,C(CO)O,
,,,EDO:F:601,invalid,,,,,C(CO)O,
,,,EDO:G:601,invalid,,,,,C(CO)O,
,,,EDO:G:602,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2XCG,,,,,,,
,,,C15:A:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,FA8 3PL:A:600,Part of Protein,,,,,,
,,,FA8 3PL:B:600,Part of Protein,,,,,,
,,,XCG:A:602,valid,Kd,=,9,nM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,,XCG:B:602,valid,Kd,=,9,nM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,2BK3,,,,,,,
,,,FAD:A:1502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FOF:A:1503,valid,Ki,=,2.3,uM,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,
,,,FOF:B:1498,valid,Ki,=,2.3,uM,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,
,,1OJA,,,,,,,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ISN:A:601,valid,Ki,=,3,uM,c1ccc2c(c1)C(=O)C(=O)N2,
,,,ISN:B:601,valid,Ki,=,3,uM,c1ccc2c(c1)C(=O)C(=O)N2,
,,2XFO,,,,,,,
,,,FA8 3PL:A:1502,Part of Protein,,,,,,
,,,FAD 3PL:B:1497,Part of Protein,,,,,,
,,,XCG:A:1504,valid,Ki,=,58,uM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,,XCG:B:1499,valid,Ki,=,58,uM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,1OJ9,,,,,,,
,,,1PB:A:1503,valid,Ki,=,35,uM,c1ccc(cc1)CCC=Cc2ccccc2,
,,,1PB:B:1498,valid,Ki,=,35,uM,c1ccc(cc1)CCC=Cc2ccccc2,
,,,FAD:A:1502,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FW0,,,,,,,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,E92:A:602,valid,Ki,=,17,nM,c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl,
,,,E92:B:602,valid,Ki,=,17,nM,c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)Cl,
,,,C15:A:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,3PO7,,,,,,,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZON:A:601,valid,Ki,=,3.1,uM,c1ccc2c(c1)c(no2)CS(=O)(=O)N,
,,,ZON:B:601,valid,Ki,=,3.1,uM,c1ccc2c(c1)c(no2)CS(=O)(=O)N,
,,2BK5,,,,,,,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ISN:A:601,valid,Ki,=,3,uM,c1ccc2c(c1)C(=O)C(=O)N2,
,,,ISN:B:601,valid,Ki,=,3,uM,c1ccc2c(c1)C(=O)C(=O)N2,
,,2V5Z,,,,,,,
,,,FAD:A:1502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SAG:A:1503,valid,Ki,=,0.45,uM,C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F,
,,,SAG:B:1498,valid,Ki,=,0.45,uM,C[C@@H](C(=O)N)/N=C/c1ccc(cc1)OCc2cccc(c2)F,
,,2XFN,,,,,,,
,,,C15:A:1502,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:1502,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,FAD:A:1500,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1500,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,XCG:A:1501,valid,Ki,=,8.3,uM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,,XCG:B:1501,valid,Ki,=,8.3,uM,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,3ZYX,,,,,,,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MBT:A:601,valid,Ki,=,0.143,uM,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,,MBT:B:601,valid,Ki,=,0.143,uM,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,2C67,,,,,,,
,,,FAD:A:1502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,RM1:A:1503,valid,Ki,=,17,uM,CN[C@@H]1CCc2c1cccc2,
,,,RM1:B:1498,valid,Ki,=,17,uM,CN[C@@H]1CCc2c1cccc2,
,,2C70,,,,,,,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PNZ:A:601,valid,,,,,c1cc(ccc1CN)[N+](=O)[O-],
,,,PNZ:B:601,valid,,,,,c1cc(ccc1CN)[N+](=O)[O-],
,,4A79,,,,,,,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,P1B:A:601,valid,Ki,=,0.5,uM,CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3,
,,,P1B:B:601,valid,Ki,=,0.5,uM,CCc1ccc(nc1)CCOc2ccc(cc2)C[C@@H]3C(=O)NC(=O)S3,
,,4A7A,,,,,,,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,RGZ:A:601,valid,Ki,=,4.2,uM,CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3,
,,,RGZ:B:601,valid,Ki,=,4.2,uM,CN(CCOc1ccc(cc1)C[C@@H]2C(=O)NC(=O)S2)c3ccccn3,
,,2V61,,,,,,,
,,,C18:A:1503,valid,Ki,=,0.1,uM,CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl,
,,,C18:B:1498,valid,Ki,=,0.1,uM,CNCC1=CC(=O)Oc2c1ccc(c2)OCc3cccc(c3)Cl,
,,,FAD:A:1502,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2XFP,,,,,,,
,,,C15:A:1503,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ISN:A:601,valid,,,,,c1ccc2c(c1)C(=O)C(=O)N2,
,,,ISN:B:601,valid,,,,,c1ccc2c(c1)C(=O)C(=O)N2,
,,,XCG:A:602,valid,,,,,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,,XCG:B:602,valid,,,,,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,2V60,,,,,,,
,,,C17:A:1503,valid,Ki,=,0.4,uM,c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O,
,,,C17:B:1498,valid,Ki,=,0.4,uM,c1cc(cc(c1)Cl)COc2ccc3c(c2)OC(=O)C=C3C=O,
,,,FAD:A:1502,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1497,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6YT2,,,,,,,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,C15:A:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,PJW:A:602,valid,Ki,=,0.31,uM,c1ccc2c(c1)-c3ccccc3I2,
,,,PJW:B:602,valid,Ki,=,0.31,uM,c1ccc2c(c1)-c3ccccc3I2,
,,6FWC,,,,,,,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,E98:A:602,valid,Ki,=,31,nM,c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F,
,,,E98:B:602,valid,Ki,=,31,nM,c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F,
,,,C15:A:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,6FVZ,,,,,,,
,,,E8Z:B:602,valid,Ki,=,55,nM,Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O,
,,,E8Z:A:602,valid,Ki,=,55,nM,Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,C15:A:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:B:603,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,2XFQ,,,,,,,
,,,C15:A:1503,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,FAD RAS:A:600,Part of Protein,,,,,,
,,,FAD RAS:B:600,Part of Protein,,,,,,
,,,XCG:A:602,valid,,,,,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,,,XCG:B:602,valid,,,,,c1ccc2c(c1)cc(o2)c3[nH]ccn3,
,Family. Representative Entry is ,2VVM,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PRO:A:601,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:601,valid,,,,,C1C[C@H](NC1)C(=O)O,
2.3.1.117,,,,,,,,,
,Family. Representative Entry is ,5E3Q,,,,,,,
,,,SCA:A:401,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,5E3R,,,,,,,
,,,NPI:A:401,valid,,,,,C(CCC(=O)O)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3FSY,,,,,,,
,,,ACY:B:332,invalid,,,,,CC(=O)O,
,,,ACY:C:331,invalid,,,,,CC(=O)O,
,,,ACY:D:331,invalid,,,,,CC(=O)O,
,,,MG:A:333,Part of Protein,,,,,[Mg+2],
,,,MG:A:334,Part of Protein,,,,,[Mg+2],
,,,MG:A:335,Part of Protein,,,,,[Mg+2],
,,,MG:A:336,Part of Protein,,,,,[Mg+2],
,,,MG:B:333,Part of Protein,,,,,[Mg+2],
,,,MG:D:332,Part of Protein,,,,,[Mg+2],
,,,MG:D:333,Part of Protein,,,,,[Mg+2],
,,,MG:E:332,Part of Protein,,,,,[Mg+2],
,,,MG:E:333,Part of Protein,,,,,[Mg+2],
,,,MG:E:334,Part of Protein,,,,,[Mg+2],
,,,MPD:A:340,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:340,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:340,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:337,Part of Protein,,,,,[Na+],
,,,NA:B:334,Part of Protein,,,,,[Na+],
,,,NA:D:334,Part of Protein,,,,,[Na+],
,,,NA:E:335,Part of Protein,,,,,[Na+],
,,,SCA:A:331,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:A:332,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:B:331,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:E:331,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,Family. Representative Entry is ,1KGQ,,,,,,,
,,,NPI:A:301,valid,,,,,C(CCC(=O)O)C[C@@H](C(=O)O)N,
,,,SCO:A:302,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)O)O,
,,1KGT,,,,,,,
,,,PML:A:301,valid,,,,,C(CCC(=O)O)CCC(=O)O,
,,,SCA:A:302,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,3TDT,,,,,,,
,,,26P:A:281,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)C(=O)O,
,,,COA:A:280,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2TDT,,,,,,,
,,,COA:A:280,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NPI:A:281,valid,,,,,C(CCC(=O)O)C[C@@H](C(=O)O)N,
1.14.99.9,,,,,,,,,
,Family. Representative Entry is ,4NKW,,,,,,,
,,,PLO:A:601,valid,Kd,<,100,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PLO:B:601,valid,Kd,<,100,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PLO:C:601,valid,Kd,<,100,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PLO:D:601,valid,Kd,<,100,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5IRQ,,,,,,,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7D6:C:601,valid,,,,,CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O,
,,,7D6:D:601,valid,,,,,CNC(=O)c1ccc2cc(ccc2c1)[C@]3(CCn4c3cnc4)O,
,,,6D7:B:601,valid,,,,,CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O,
,,,6D7:A:601,valid,,,,,CNC(=O)c1ccc2cc(ccc2c1)[C@@]3(CCn4c3cnc4)O,
1.8.4.11,,,,,,,,,
,Family. Representative Entry is ,4LWM,,,,,,,
,,,MHO:A:300,valid,,,,,C[S@](=O)CC[C@@H](C(=O)O)N,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3E0M,,,,,,,
,,,SER HIS MET ALA GLU ILE:E:-1,valid,,,,,,
,,,SER HIS MET ALA GLU ILE:F:-1,valid,,,,,,
,,,SER HIS MET ALA GLU ILE:G:-1,valid,,,,,,
,Family. Representative Entry is ,3BQF,,,,,,,
,,,SSM:A:400,valid,,,,,CC(=O)N[C@@H](CC[S@@](=O)C)C(=O)NC,
,Family. Representative Entry is ,4W8C,,,,,,,
,,,GLY:A:201,valid,,,,,C(C(=O)O)N,
,,,GLY:B:201,valid,,,,,C(C(=O)O)N,
4.1.99.2,,,,,,,,,
,Family. Representative Entry is ,2TPL,,,,,,,
,,,CS:A:500,invalid,,,,,[Cs+],
,,,CS:B:500,invalid,,,,,[Cs+],
,,,HPP:B:600,valid,Ki,=,1.25,mM,c1cc(ccc1CCC(=O)O)O,
,,2VLH,,,,,,,
,,,K:A:1458,Part of Protein,,,,,[K+],
,,,K:B:1458,Part of Protein,,,,,[K+],
,,,P33:A:1460,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PGE:A:1459,invalid,,,,,C(COCCOCCO)O,
,,,PM9:A:1457,valid,,,,,CC1=C(/C(=CN=C(/CCSC)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,2VLF,,,,,,,
,,,K:B:1457,Part of Protein,,,,,[K+],
,,,K:B:1458,Part of Protein,,,,,[K+],
,,,P33:B:1460,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PGE:A:1458,invalid,,,,,C(COCCOCCO)O,
,,,PLI:A:1457,valid,,,,,CC1=C(/C(=CN=C(/C)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,PLI:B:1459,valid,,,,,CC1=C(/C(=CN=C(/C)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,6DZ5,,,,,,,
,,,P33:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P61:A:502,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P61:B:601,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,2YCP,,,,,,,
,,,1PE:B:1462,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:B:1460,invalid,,,,,C(CO)O,
,,,K:A:1462,Part of Protein,,,,,[K+],
,,,K:A:1463,Part of Protein,,,,,[K+],
,,,K:C:1463,Part of Protein,,,,,[K+],
,,,K:C:1464,Part of Protein,,,,,[K+],
,,,P33:C:1457,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:D:1457,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P61:A:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P61:B:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P61:C:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P61:D:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,PEG:C:1462,invalid,,,,,C(COCCO)O,
,,,PEG:D:1462,invalid,,,,,C(COCCO)O,
,,,PG4:A:1460,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1464,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1457,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1459,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:1460,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1457,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1458,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1459,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1461,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1458,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1461,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1458,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1459,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1460,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1461,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:1458,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:1459,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:1461,invalid,,,,,C(COCCOCCO)O,
,,2YCN,,,,,,,
,,,K:A:500,Part of Protein,,,,,[K+],
,,,K:B:500,Part of Protein,,,,,[K+],
,,,P61:A:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P61:B:600,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccc(c(c2)F)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,PEG:A:1458,invalid,,,,,C(COCCO)O,
,,,PG4:A:1457,invalid,,,,,C(COCCOCCOCCO)O,
,,6DVX,,,,,,,
,,,P71:A:502,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccccc2)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,P33:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P70:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O,
,,6DUR,,,,,,,
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,P33:A:505,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P71:A:501,valid,,,,,CC1=C(/C(=CN=C(/Cc2ccccc2)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P70:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](Cc2ccccc2)C(=O)O)O,
,,6DYT,,,,,,,
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,P33:B:1502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PP3:B:1501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,,,F0G:A:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,2YCT,,,,,,,
,,,9PO:A:1459,valid,,,,,c1cc[n+](cc1)[O-],
,,,9PO:A:1460,valid,,,,,c1cc[n+](cc1)[O-],
,,,9PO:B:1459,valid,,,,,c1cc[n+](cc1)[O-],
,,,K:A:1458,Part of Protein,,,,,[K+],
,,,K:B:1457,Part of Protein,,,,,[K+],
,,,P33:B:1458,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PLI:A:1457,valid,,,,,CC1=C(/C(=CN=C(/C)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,PLP:A:1257,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1257,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:1461,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6ECG,,,,,,,
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PM9:A:503,valid,,,,,CC1=C(/C(=CN=C(/CCSC)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P33:A:505,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
1.14.15.4,,,,,,,,,
,Family. Representative Entry is ,6M7X,,,,,,,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JD7:A:601,valid,Kd,=,9,nM,c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3,
,,,JD7:B:601,valid,Kd,=,9,nM,c1cc(ccc1C#N)[C@@H]2CCCc3n2cnc3,
,,4DVQ,,,,,,,
,,,1CA:G:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:D:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:B:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:C:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:A:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:F:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:I:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:J:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:E:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:L:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:H:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:K:602,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:I:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:J:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:K:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:L:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:K:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.24.35,,,,,,,,,
,Family. Representative Entry is ,4WZV,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,E40:A:301,valid,ic50,=,0.43,nM,CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC,
,,,E40:B:301,valid,ic50,=,0.43,nM,CC(C)ON([C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO)S(=O)(=O)c3ccc(cc3)c4ccc(cc4)OC,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,NA:B:315,invalid,,,,,[Na+],
,,,NA:B:313,Part of Protein,,,,,[Na+],
,,,NA:B:310,invalid,,,,,[Na+],
,,,NA:B:314,Part of Protein,,,,,[Na+],
,,,NA:B:312,Part of Protein,,,,,[Na+],
,,,NA:B:309,invalid,,,,,[Na+],
,,,NA:B:311,invalid,,,,,[Na+],
,,,PEG:B:318,invalid,,,,,C(COCCO)O,
,,,PEG:B:317,invalid,,,,,C(COCCO)O,
,,,PEG:A:311,invalid,,,,,C(COCCO)O,
,,,PEG:A:310,invalid,,,,,C(COCCO)O,
,,,AZI:B:308,invalid,,,,,[N-]=[N+]=[N-],
,,,PGO:A:309,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:308,invalid,,,,,C[C@@H](CO)O,
,,,GOL:B:316,invalid,,,,,C(C(CO)O)O,
,,4JQG,,,,,,,
,,,8MC PRO LEU GLY PFF DNW ALA ARG NH2:P:1,valid,,,,,Fc1ccc(CC(NC(=O)CNC(=O)C(NC(=O)C2N(C(=O)CC=3c4c(OC(=O)C=3)cc(OC)cc4)CCC2)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCNC(=[NH2+])N)C)CNc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1,
,,,8MC PRO LEU GLY PFF DNW ALA ARG NH2:Q:1,valid,,,,,Fc1ccc(CC(NC(=O)CNC(=O)C(NC(=O)C2N(C(=O)CC=3c4c(OC(=O)C=3)cc(OC)cc4)CCC2)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCNC(=[NH2+])N)C)CNc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1,
,,,SR:A:304,invalid,,,,,[Sr+2],
,,,SR:B:304,invalid,,,,,[Sr+2],
,,,SR:B:305,invalid,,,,,[Sr+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,NA:B:309,invalid,,,,,[Na+],
,,,NA:B:310,invalid,,,,,[Na+],
,,,NA:B:311,invalid,,,,,[Na+],
,,,PGO:A:312,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:306,invalid,,,,,C[C@@H](CO)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,AZI:Q:600,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:P:600,invalid,,,,,[N-]=[N+]=[N-],
,,1GKC,,,,,,,
,,,CA:A:1444,Part of Protein,,,,,[Ca+2],
,,,CA:A:1445,Part of Protein,,,,,[Ca+2],
,,,CA:A:1446,Part of Protein,,,,,[Ca+2],
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:A:1452,Part of Protein,,,,,[Ca+2],
,,,CA:B:1444,Part of Protein,,,,,[Ca+2],
,,,CA:B:1445,Part of Protein,,,,,[Ca+2],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,CA:B:1448,Part of Protein,,,,,[Ca+2],
,,,NFH:A:1448,valid,,,,,CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,NFH:B:1449,valid,,,,,CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,ZN:B:1451,invalid,,,,,[Zn+2],
,,,ZN:A:1450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1452,Part of Protein,,,,,[Zn+2],
,,5I12,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,H27:A:306,valid,ic50,=,1200,nM,CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,1GKD,,,,,,,
,,,CA:A:1444,Part of Protein,,,,,[Ca+2],
,,,CA:A:1445,Part of Protein,,,,,[Ca+2],
,,,CA:A:1446,Part of Protein,,,,,[Ca+2],
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:B:1444,Part of Protein,,,,,[Ca+2],
,,,CA:B:1445,Part of Protein,,,,,[Ca+2],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,STN BUM:A:1448,valid,,,,,O=[N+](C=O)CC(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C,
,,,STN BUM:B:1448,valid,,,,,O=[N+](C=O)CC(C(=O)NC(C(=O)NC)C(C)(C)C)CC(C)C,
,,,ZN:A:1450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1451,Part of Protein,,,,,[Zn+2],
,,2OW0,,,,,,,
,,,6MR:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I,
,,,6MR:B:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NS(=O)(=O)c3ccc(cc3)c4ccc(cc4)I,
,,,CA:A:446,Part of Protein,,,,,[Ca+2],
,,,CA:A:447,Part of Protein,,,,,[Ca+2],
,,,CA:A:448,Part of Protein,,,,,[Ca+2],
,,,CA:A:449,Part of Protein,,,,,[Ca+2],
,,,CA:B:446,Part of Protein,,,,,[Ca+2],
,,,CA:B:447,Part of Protein,,,,,[Ca+2],
,,,CA:B:448,Part of Protein,,,,,[Ca+2],
,,,CA:B:449,Part of Protein,,,,,[Ca+2],
,,,CL:A:450,invalid,,,,,[Cl-],
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:452,invalid,,,,,[Cl-],
,,,CL:A:453,invalid,,,,,[Cl-],
,,,CL:B:450,invalid,,,,,[Cl-],
,,,CL:B:451,invalid,,,,,[Cl-],
,,,ZN:A:444,Part of Protein,,,,,[Zn+2],
,,,ZN:A:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:444,invalid,,,,,[Zn+2],
,,2OVX,,,,,,,
,,,4MR:A:501,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5,
,,,4MR:B:502,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)c5ncccn5,
,,,CA:A:446,Part of Protein,,,,,[Ca+2],
,,,CA:A:447,Part of Protein,,,,,[Ca+2],
,,,CA:A:448,Part of Protein,,,,,[Ca+2],
,,,CA:A:449,Part of Protein,,,,,[Ca+2],
,,,CA:A:450,Part of Protein,,,,,[Ca+2],
,,,CA:B:446,Part of Protein,,,,,[Ca+2],
,,,CA:B:447,Part of Protein,,,,,[Ca+2],
,,,CA:B:448,Part of Protein,,,,,[Ca+2],
,,,CA:B:449,Part of Protein,,,,,[Ca+2],
,,,CA:B:450,Part of Protein,,,,,[Ca+2],
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:452,invalid,,,,,[Cl-],
,,,CL:A:453,invalid,,,,,[Cl-],
,,,CL:B:451,invalid,,,,,[Cl-],
,,,CL:B:452,invalid,,,,,[Cl-],
,,,ZN:A:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:444,invalid,,,,,[Zn+2],
,,6ESM,,,,,,,
,,,B9Z:A:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,PZE:A:307,invalid,,,,,C1CNCCN1,
,,4JIJ,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SR:B:304,invalid,,,,,[Sr+2],
,,,SR:A:306,invalid,,,,,[Sr+2],
,,,SR:B:305,invalid,,,,,[Sr+2],
,,,SR:A:305,invalid,,,,,[Sr+2],
,,,AZI:Q:101,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,PGO:A:307,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:306,invalid,,,,,C[C@@H](CO)O,
,,,8MC PRO LEU GLY PHI DNW ALA ARG NH2:Q:1,valid,,,,,Ic1ccc(CC(NC(=O)CNC(=O)C(NC(=O)C2N(C(=O)CC=3c4c(OC(=O)C=3)cc(OC)cc4)CCC2)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCNC(=[NH2+])N)C)CNc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1,
,,,8MC PRO LEU GLY PHI DNW ALA ARG NH2:P:1,valid,,,,,Ic1ccc(CC(NC(=O)CNC(=O)C(NC(=O)C2N(C(=O)CC=3c4c(OC(=O)C=3)cc(OC)cc4)CCC2)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCNC(=[NH2+])N)C)CNc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2)cc1,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,PEG:A:310,invalid,,,,,C(COCCO)O,
,,4XCT,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,N73:A:301,valid,ic50,=,6.7,nM,CC(C)[C@H](C(=O)N=O)N(OC(C)C)S(=O)(=O)c1ccc(cc1)c2ccccc2,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,PGO:A:314,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:315,invalid,,,,,C[C@@H](CO)O,
,,,BUD:A:316,invalid,,,,,C[C@@H]([C@H](C)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,2OW1,,,,,,,
,,,7MR:A:501,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N,
,,,7MR:B:502,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C[C@@](C(=O)NO)(C(F)(F)F)N,
,,,CA:A:446,Part of Protein,,,,,[Ca+2],
,,,CA:A:447,Part of Protein,,,,,[Ca+2],
,,,CA:A:448,Part of Protein,,,,,[Ca+2],
,,,CA:A:449,Part of Protein,,,,,[Ca+2],
,,,CA:B:446,Part of Protein,,,,,[Ca+2],
,,,CA:B:447,Part of Protein,,,,,[Ca+2],
,,,CA:B:448,Part of Protein,,,,,[Ca+2],
,,,CA:B:449,Part of Protein,,,,,[Ca+2],
,,,CL:A:450,invalid,,,,,[Cl-],
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:452,invalid,,,,,[Cl-],
,,,ZN:A:444,Part of Protein,,,,,[Zn+2],
,,,ZN:A:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:444,Part of Protein,,,,,[Zn+2],
,,,ZN:B:445,Part of Protein,,,,,[Zn+2],
,,2OVZ,,,,,,,
,,,CA:A:446,Part of Protein,,,,,[Ca+2],
,,,CA:A:447,Part of Protein,,,,,[Ca+2],
,,,CA:A:448,Part of Protein,,,,,[Ca+2],
,,,CA:A:449,Part of Protein,,,,,[Ca+2],
,,,CA:A:450,Part of Protein,,,,,[Ca+2],
,,,CA:B:446,Part of Protein,,,,,[Ca+2],
,,,CA:B:447,Part of Protein,,,,,[Ca+2],
,,,CA:B:448,Part of Protein,,,,,[Ca+2],
,,,CA:B:449,Part of Protein,,,,,[Ca+2],
,,,CA:B:450,Part of Protein,,,,,[Ca+2],
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:452,invalid,,,,,[Cl-],
,,,CL:A:453,invalid,,,,,[Cl-],
,,,CL:B:451,invalid,,,,,[Cl-],
,,,ZN:A:445,Part of Protein,,,,,[Zn+2],
,,,ZN:B:445,Part of Protein,,,,,[Zn+2],
,,,ZN:A:444,invalid,,,,,[Zn+2],
,,,ZN:B:444,invalid,,,,,[Zn+2],
,,,5MR:A:501,valid,,,,,c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N,
,,,5MR:B:502,valid,,,,,c1ccc(cc1)c2cc(on2)C[C@H](C[P@@](=O)(c3ccccc3)O)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N,
,Family. Representative Entry is ,5UE4,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,5XQ:B:307,valid,Kd,=,3.3,uM,Cc1c(sc(n1)NC(=O)C)c2csc(n2)Nc3ccccc3OC,
4.2.1.84,,,,,,,,,
,Family. Representative Entry is ,3A8H,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,TAY:B:300,valid,,,,,CC(C)(C)C(=O)N,
,,3X26,,,,,,,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,TAN:B:301,valid,,,,,CC(C)(C)C#N,
,,2ZPH,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,TB0:A:301,valid,,,,,CC(C)(C)[N+]#[C-],
,,,TRS:B:1901,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2ZPF,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:A:1602,invalid,,,,,[Mg+2],
,,,MG:A:1603,invalid,,,,,[Mg+2],
,,,MG:B:1601,invalid,,,,,[Mg+2],
,,,MG:B:1604,invalid,,,,,[Mg+2],
,,,NO:A:301,invalid,,,,,[N]=O,
,,,TB0:B:1302,valid,,,,,CC(C)(C)[N+]#[C-],
,,2ZPE,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:A:1602,Part of Protein,,,,,[Mg+2],
,,,MG:A:1603,Part of Protein,,,,,[Mg+2],
,,,MG:A:1604,Part of Protein,,,,,[Mg+2],
,,,MG:A:1606,Part of Protein,,,,,[Mg+2],
,,,MG:B:1601,Part of Protein,,,,,[Mg+2],
,,,MG:B:1605,Part of Protein,,,,,[Mg+2],
,,,NO:A:301,invalid,,,,,[N]=O,
,,,TB0:B:1302,valid,,,,,CC(C)(C)[N+]#[C-],
,,2ZPI,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:A:1602,invalid,,,,,[Mg+2],
,,,MG:A:1603,invalid,,,,,[Mg+2],
,,,MG:B:1601,invalid,,,,,[Mg+2],
,,,MG:B:1604,invalid,,,,,[Mg+2],
,,,TB0:A:301,valid,,,,,CC(C)(C)[N+]#[C-],
,,,TRS:B:1400,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3A8G,,,,,,,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,MG:B:304,invalid,,,,,[Mg+2],
,,,NO:A:207,invalid,,,,,[N]=O,
,,,TAN:B:213,valid,,,,,CC(C)(C)C#N,
,,3WVE,,,,,,,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,TAN:B:301,valid,,,,,CC(C)(C)C#N,
,,,NO:A:302,invalid,,,,,[N]=O,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,2ZPG,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:A:1302,invalid,,,,,[Mg+2],
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,MG:A:1304,invalid,,,,,[Mg+2],
,,,MG:B:1301,invalid,,,,,[Mg+2],
,,,MG:B:1305,invalid,,,,,[Mg+2],
,,,TB0:A:301,valid,,,,,CC(C)(C)[N+]#[C-],
,,3A8O,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,TAY:B:301,valid,,,,,CC(C)(C)C(=O)N,
,,3A8M,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,TAN:B:213,valid,,,,,CC(C)(C)C#N,
,Family. Representative Entry is ,4OB1,,,,,,,
,,,BUB:A:302,valid,,,,,B(CCCC)(O)O,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,Family. Representative Entry is ,4OB0,,,,,,,
,,,PBC:A:302,valid,Ki,=,5,uM,B(c1ccccc1)(O)O,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,4OB2,,,,,,,
,,,MOH:B:307,invalid,,,,,CO,
,,,MOH:B:311,invalid,,,,,CO,
,,,MOH:B:309,invalid,,,,,CO,
,,,MOH:A:315,invalid,,,,,CO,
,,,MOH:A:314,invalid,,,,,CO,
,,,MOH:A:310,invalid,,,,,CO,
,,,MOH:B:319,invalid,,,,,CO,
,,,MOH:B:317,invalid,,,,,CO,
,,,MOH:B:314,invalid,,,,,CO,
,,,MOH:A:309,invalid,,,,,CO,
,,,MOH:B:315,invalid,,,,,CO,
,,,MOH:A:308,invalid,,,,,CO,
,,,MOH:B:306,invalid,,,,,CO,
,,,MOH:B:312,invalid,,,,,CO,
,,,MOH:B:310,invalid,,,,,CO,
,,,MOH:B:316,invalid,,,,,CO,
,,,MOH:B:318,invalid,,,,,CO,
,,,MOH:A:312,invalid,,,,,CO,
,,,MOH:A:316,invalid,,,,,CO,
,,,MOH:B:305,invalid,,,,,CO,
,,,MOH:A:311,invalid,,,,,CO,
,,,MOH:B:308,invalid,,,,,CO,
,,,MOH:A:313,invalid,,,,,CO,
,,,MOH:B:313,invalid,,,,,CO,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,CO:A:302,Part of Protein,,,,,[Co+2],
,,,BUB:A:301,valid,,,,,B(CCCC)(O)O,
2.7.1.169,,,,,,,,,
,Family. Representative Entry is ,6JBD,,,,,,,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,ATP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
3.2.2.22,,,,,,,,,
,Family. Representative Entry is ,1M2T,,,,,,,
,,,ADE:A:9550,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC NAG:A:500,Part of Protein,,,,,,
,,,NAG:B:600,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:603,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3D7W,,,,,,,
,,,GOL:A:648,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:652,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:650,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:651,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:600,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:661,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEA:B:701,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEZ:B:702,valid,,,,,C/C(=C/CNc1c2c([nH]cn2)ncn1)/CO,
,,1SZ6,,,,,,,
,,,AZI:A:4004,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:4003,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:4005,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:4021,invalid,,,,,[Cl-],
,,,CL:A:4022,invalid,,,,,[Cl-],
,,,GOL:A:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4016,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4019,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4020,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4012,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4013,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4014,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4015,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4017,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4018,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:5003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PUU,,,,,,,
,,,CL:A:1024,invalid,,,,,[Cl-],
,,,CL:A:1027,invalid,,,,,[Cl-],
,,,CL:A:1042,invalid,,,,,[Cl-],
,,,DIO:A:1830,invalid,,,,,C1COCCO1,
,,,GOL:A:1021,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1025,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1031,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1067,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1069,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1090,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1096,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1237,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1041,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1068,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1070,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1071,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1089,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1091,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1095,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:703,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:2022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2032,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG FUL NAG:C:1,Part of Protein,,,,,,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1PUM,,,,,,,
,,,CL:A:1026,invalid,,,,,[Cl-],
,,,CL:A:1027,invalid,,,,,[Cl-],
,,,GAL:B:1008,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:1009,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1017,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1024,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1025,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1013,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1016,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1018,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1019,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1020,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1021,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1022,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1023,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1004,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUL:E:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:1028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1029,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NDG:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,5GU4,,,,,,,
,,,ASP ASP MET GLY PHE GLY LEU PHE ASP:C:2,valid,Kd,=,3.4,uM,,
,,,ASP ASP MET GLY PHE GLY LEU PHE ASP:D:2,valid,Kd,=,3.4,uM,,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,5DDZ,,,,,,,
,,,ASP ASP ASP MET GLY PHE GLY LEU PHE ASP:B:110,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(=O)[O-])Cc1ccccc1)C(NC(=O)CNC(=O)C(NC(=O)CN)Cc1ccccc1)CC(C)C,
,,4MX5,,,,,,,
,,,5MX:X:301,valid,ic50,=,28,uM,c1ccc(cc1)COC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N,
,,4HV7,,,,,,,
,,,19J:X:301,valid,ic50,=,300,uM,c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O,
,,,MLA:X:303,invalid,,,,,C(C(=O)O)C(=O)O,
,,,SO4:X:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PX8,,,,,,,
,,,JP2:X:1,valid,ic50,=,230,uM,c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)O,
,,1BR6,,,,,,,
,,,PT1:A:301,valid,Ki,=,0.6,mM,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,4ESI,,,,,,,
,,,0RB:A:301,valid,ic50,=,70,uM,c1c([nH]nn1)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N,
,,4HV3,,,,,,,
,,,19L:A:301,valid,ic50,=,115,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)c3cnc4c(n3)NC(=NC4=O)N,
,,,MLA:A:303,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:304,invalid,,,,,C(C(=O)O)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BR5,,,,,,,
,,,NEO:A:500,valid,Ki,>,2,mM,c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)O)O,
,,3EJ5,,,,,,,
,,,EJ5:X:300,valid,ic50,=,0.27,mM,c1cc(ccc1CCCC2=C(N=C(NC2=O)N)O)C(=O)O,
,,4MX1,,,,,,,
,,,MLA:A:304,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:303,invalid,,,,,C(C(=O)O)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1MX:A:301,valid,ic50,=,209,uM,c1ccc(cc1)NC(=O)NCCNC(=O)c2cnc3c(n2)N=C(NC3=O)N,
,,3PX9,,,,,,,
,,,JP3:X:1,valid,ic50,=,380,uM,c1cc(oc1)CNC(=O)c2cnc3c(n2)N=C(NC3=O)N,
,,4HUO,,,,,,,
,,,RS8:X:301,valid,ic50,=,20,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CNC(=O)c2cnc3c(n2)NC(=NC3=O)N,
,,2P8N,,,,,,,
,,,ADE:A:271,valid,Kd,=,0.7,mM,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J1M,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4Q2V,,,,,,,
,,,0XE:A:301,valid,,,,,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2,
,,6URY,,,,,,,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,CL:A:323,invalid,,,,,[Cl-],
,,,CL:A:327,invalid,,,,,[Cl-],
,,,CL:A:324,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:A:319,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:A:322,invalid,,,,,[Cl-],
,,,CL:A:320,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:326,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:A:321,invalid,,,,,[Cl-],
,,,CL:A:328,invalid,,,,,[Cl-],
,,,CL:A:325,invalid,,,,,[Cl-],
,,,R6T:A:301,valid,ic50,=,400,uM,c1ccc2c(c1)-c3c(cccc3C(=O)N)C2=O,
,,4HUP,,,,,,,
,,,19M:X:301,valid,ic50,=,15,uM,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)CNC(=O)c3cnc4c(n3)NC(=NC4=O)N,
,,,MLA:X:304,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:X:305,invalid,,,,,C(C(=O)O)C(=O)O,
,,,SO4:X:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IFS,,,,,,,
,,,ADE:A:300,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1IFU,,,,,,,
,,,FMC:A:264,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,3HIO,,,,,,,
,,,C2X:A:268,valid,,,,,CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N,
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6URX,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO DMS:A:314,invalid,,,,,,
,,,JMG:A:316,valid,ic50,=,181,uM,c1ccc(cc1)c2ccc(s2)C(=O)O,
,,2PJO,,,,,,,
,,,NMU:A:303,valid,Kd,=,900,mM,CNC(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R3D,,,,,,,
,,,ACM:A:303,valid,Kd,=,1.4,M,CC(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6URW,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:322,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:320,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:319,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:321,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,DMS:A:323,invalid,,,,,CS(=O)C,
,,,R7T:A:324,valid,ic50,=,32,uM,c1cc(sc1)Cc2ccc(cc2)C(=O)O,
,Family. Representative Entry is ,6LOZ,,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,6LOW,,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5GP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6LP0,,,,,,,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6LOY,,,,,,,
,,,D5M:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,1MRH,,,,,,,
,,,FMC:A:300,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,6LOQ,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,6LOV,,,,,,,
,,,4UO:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,
,,1MRG,,,,,,,
,,,ADN:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6LOR,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3KU0,,,,,,,
,,,ADE:A:800,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:801,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,NAG:A:410,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:411,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2QES,,,,,,,
,,,ADE:A:501,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,2QET,,,,,,,
,,,ADE:A:501,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,1LPD,,,,,,,
,,,ADE:A:901,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1LPC,,,,,,,
,,,CMP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,1NLI,,,,,,,
,,,ADE:A:248,valid,Kd,=,260,uM,c1[nH]c2c(n1)c(ncn2)N,
,,1GIU,,,,,,,
,,,ADE:A:300,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1MRK,,,,,,,
,,,FMC:A:300,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,1QD2,,,,,,,
,,,ADE:A:280,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1TCS,,,,,,,
,,,NDP:A:280,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1MRJ,,,,,,,
,,,ADN:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,1GIS,,,,,,,
,,,DA:A:438,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,Family. Representative Entry is ,3SJ6,,,,,,,
,,,GOL:A:248,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:250,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:247,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RIP:A:249,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,1AHB,,,,,,,
,,,FMP:A:339,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,1AHA,,,,,,,
,,,ADE:A:339,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,3N1N,,,,,,,
,,,GUN:A:4053,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3V2K,,,,,,,
,,,ADE:A:248,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:A:249,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:247,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3RL9,,,,,,,
,,,ADE:A:248,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:A:249,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:247,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3U6Z,,,,,,,
,,,ADE:A:248,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,GOL:A:249,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:247,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4ZGR,,,,,,,
,,,NAG FUC NAG BMA XYP MAN:E:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,NGA GAL:C:1,valid,,,,,,
,,4ZFY,,,,,,,
,,,AMG:B:301,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4ZBV,,,,,,,
,,,BMA:B:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PGE:B:308,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GAL A2G MBN:B:309,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O[C-2]c1ccccc1)C,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,Family. Representative Entry is ,1J1R,,,,,,,
,,,ADE:A:701,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1J1S,,,,,,,
,,,FMP:A:701,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1QCI,,,,,,,
,,,ADE:A:902,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:901,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1D6A,,,,,,,
,,,GUN:A:901,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:902,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,1QCJ,,,,,,,
,,,APT:A:901,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O,
,,,APT:B:902,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc([nH+]3)N)O,
,Family. Representative Entry is ,3LE7,,,,,,,
,,,ADE:A:501,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:601,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,NAG:A:265,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4M1U,,,,,,,
,,,1PS:C:101,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:101,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:D:101,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,MBG A2G:G:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC)OC1CO)C,
,,,MBG A2G:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC)OC1CO)C,
,,2GA4,,,,,,,
,,,1PS:B:703,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:704,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:D:705,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:F:702,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,ADE:A:701,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:F:716,invalid,,,,,C(CO)O,
,,,FMT:A:706,invalid,,,,,C(=O)O,
,,,FMT:A:709,invalid,,,,,C(=O)O,
,,,FMT:C:710,invalid,,,,,C(=O)O,
,,,FMT:D:708,invalid,,,,,C(=O)O,
,,,FMT:E:707,invalid,,,,,C(=O)O,
,,,NA:A:713,Part of Protein,,,,,[Na+],
,,,NA:A:714,Part of Protein,,,,,[Na+],
,,,NA:A:715,Part of Protein,,,,,[Na+],
,,,NA:B:712,Part of Protein,,,,,[Na+],
,,,NA:F:711,Part of Protein,,,,,[Na+],
,,1R4P,,,,,,,
,,,1PS:B:1002,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:1003,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:D:1004,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:F:1001,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:D:2002,invalid,,,,,C(CO)O,
,,,EDO:F:2001,invalid,,,,,C(CO)O,
,,,EDO:F:2005,invalid,,,,,C(CO)O,
,,,FMT:A:3001,invalid,,,,,C(=O)O,
,,,FMT:A:3004,invalid,,,,,C(=O)O,
,,,FMT:A:3009,invalid,,,,,C(=O)O,
,,,FMT:A:3010,invalid,,,,,C(=O)O,
,,,FMT:A:3013,invalid,,,,,C(=O)O,
,,,FMT:A:3015,invalid,,,,,C(=O)O,
,,,FMT:B:3006,invalid,,,,,C(=O)O,
,,,FMT:C:3007,invalid,,,,,C(=O)O,
,,,FMT:C:3012,invalid,,,,,C(=O)O,
,,,FMT:D:3003,invalid,,,,,C(=O)O,
,,,FMT:E:3002,invalid,,,,,C(=O)O,
,,,FMT:E:3008,invalid,,,,,C(=O)O,
,,,FMT:E:3014,invalid,,,,,C(=O)O,
,,,FMT:F:3005,invalid,,,,,C(=O)O,
,,,FMT:F:3011,invalid,,,,,C(=O)O,
,,,NA:A:4001,Part of Protein,,,,,[Na+],
,,,NA:A:4002,Part of Protein,,,,,[Na+],
,,,NA:A:4003,Part of Protein,,,,,[Na+],
,,,NA:B:4005,Part of Protein,,,,,[Na+],
,,,NA:F:4004,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3HIW,,,,,,,
,,,C2X:A:260,valid,Ki,=,3.9,nM,CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N,
,,,C2X:B:260,valid,Ki,=,3.9,nM,CO[C@@H]1[C@H]2[C@@H](CO[P@@](=O)(OCCCCCCONO[P@](=O)(O[C@@H]3[C@@H](CO[P@@](=O)(O[C@@H]4[C@@H](CO[P@@](=O)(O[C@H]5CN(C[C@@H]5CO[P@@](=O)(O2)O)Cc6c[nH]c7c6ncnc7N)O)O[C@H]([C@@H]4OC)n8cnc9c8NC(=NC9=O)N)O)O[C@H]([C@@H]3OC)n2cnc3c2ncnc3N)O)O)O[C@H]1n1cnc2c1NC(=NC2=O)N,
,,3HIV,,,,,,,
,,,TXN:A:260,valid,Ki,=,7.5,nM,CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO,
,,,TXN:B:260,valid,Ki,=,7.5,nM,CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2NC(=NC3=O)N)CO[P@](=O)(O)O[C@H]4CN(C[C@@H]4CO[P@](=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5OC)N6CN=C7C6=NC(=NC7=O)N)CO)Cc8c[nH]c9c8ncnc9N)O[P@@](=O)(O)OCCCO,
,,3HIT,,,,,,,
,,,DYN:A:260,valid,Ki,=,6.4,nM,CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO,
,,,DYN:B:260,valid,Ki,=,6.4,nM,CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)CO[P@](=O)(O)O[C@H]4C[N@@](C[C@@H]4CO[P@@](=O)(O)OCCCO)Cc5c[nH]c6c5ncnc6N)O[P@](=O)(O)OCCCCO,
3.2.1.96,,,,,,,,,
,Family. Representative Entry is ,1EOM,,,,,,,
,,,NAG MAN MAN MAN NAG GAL NAG GAL:B:1,valid,,,,,,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FHQ,,,,,,,
,,,BMA NGT MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(CO)OC3SC(C)=NC3C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA NGT MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(CO)OC3SC(C)=NC3C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA NGT MAN MAN:G:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(CO)OC3SC(C)=NC3C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA NGT MAN MAN:H:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(CO)OC3SC(C)=NC3C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
3.3.2.10,,,,,,,,,
,Family. Representative Entry is ,5AM1,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,I5T:A:1552,valid,ic50,=,0.003,uM,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC4(CC3)CC(=O)c5ccccc5O4,
,,3WKA,,,,,,,
,,,S0G:A:603,valid,ic50,=,29,uM,CN1C(=C(C(=O)NC1=O)N2CCCCC2)N,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALW,,,,,,,
,,,JQN:A:1551,valid,ic50,=,7.05,uM,Cc1ccc(cc1)SCC(=O)c2ccc3c(c2)CC(=O)N3,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AIB,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KJU:A:1552,valid,ic50,=,160,uM,c1cc2c(cc1Cl)NC(=O)CO2,
,,3WKD,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S0K:A:603,valid,ic50,=,171,uM,c1ccc(c(c1)NC(=O)c2ccsc2)N3CCOCC3,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALP,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,,QYD:A:1554,valid,ic50,<,0.086,uM,c1ccc(cc1)[C@H]2CN(CCS2)C(=O)Nc3ccc(cc3)[N+](=O)[O-],
,,,PEG:A:1553,invalid,,,,,C(COCCO)O,
,,5AK5,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,V2Z:A:1551,valid,ic50,=,0.086,uM,CCCC1=NC(=CNC1=O)c2cccnc2,
,,4Y2S,,,,,,,
,,,49P:A:602,valid,ic50,=,52,uM,c1cc(cc(c1)n2cc(cn2)O)C(F)(F)F,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALJ,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T5J:A:1552,valid,ic50,=,2.737,uM,Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,5ALO,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,A0J:A:1551,valid,ic50,=,0.738,uM,C[C@]1(c2cc(ccc2NC1=O)c3cnn(c3)C)Cc4ccccc4,
,,5AM3,,,,,,,
,,,AUB:A:1552,valid,ic50,=,0.005,uM,c1cc(ccc1C(=O)O)OC2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4,
,,,PEG:A:1550,invalid,,,,,C(COCCO)O,
,,,PEG:A:1551,invalid,,,,,C(COCCO)O,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1549,invalid,,,,,C(C(CO)O)O,
,,4Y2P,,,,,,,
,,,3C5:A:602,valid,ic50,=,2200,uM,CNCc1cccc(c1)c2cccnc2,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,3WK8,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S0E:A:603,valid,ic50,=,49,uM,c1cc2c(cc1C(F)(F)F)sc(n2)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALI,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:1552,invalid,,,,,C(COCCO)O,
,,,PEG:A:1554,invalid,,,,,C(COCCO)O,
,,,Q3B:A:1553,valid,ic50,<,0.086,uM,COc1ccc(cc1)NC(=O)Nc2cccc(c2)c3c(n(cn3)C[C@@H]4CCCO4)c5nc6c(ncnc6s5)N,
,,5AK3,,,,,,,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,XM0:A:1553,valid,ic50,=,8.49,uM,c1ccc2c(c1)CC(C2)N,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AKJ,,,,,,,
,,,6N4:A:1555,valid,ic50,<,1.37,uM,c1ccc2c(c1)[nH]c(n2)SCCO,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1554,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,5AIC,,,,,,,
,,,PEG:A:1549,invalid,,,,,C(COCCO)O,
,,,TGX:A:1550,valid,ic50,=,49.6,uM,Cc1ccc2c(c1)SCC(=O)N2,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ALV,,,,,,,
,,,6TZ:A:1551,valid,ic50,=,43.48,uM,c1cc(cc(c1)F)c2cc[nH]n2,
,,,6TZ:A:1550,valid,ic50,=,43.48,uM,c1cc(cc(c1)F)c2cc[nH]n2,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WK9,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,S0F:A:603,valid,ic50,=,70,uM,c1cc(ccc1Cc2cnc(s2)N)Br,
,,5AKK,,,,,,,
,,,1P8:A:1550,valid,ic50,=,99.3,uM,c1cc2c(cc1Br)NC(=O)C2,
,,,1P8:A:1551,valid,ic50,=,99.3,uM,c1cc2c(cc1Br)NC(=O)C2,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VJ5,,,,,,,
,,,CIU:A:781,valid,ic50,=,0.12,uM,c1cc(ccc1NC(=O)NC2CCCCC2)I,
,,,MG:A:782,Part of Protein,,,,,[Mg+2],
,,,P6G:A:780,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PO4:A:783,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4Y2Q,,,,,,,
,,,49N:A:602,valid,ic50,=,1200,uM,c1cc(c(nc1)N2CCNCC2)C(F)(F)F,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALY,,,,,,,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B7H:A:1555,valid,ic50,=,0.1845,uM,Cc1c(n[nH]c1c2cc3c(c(c2)F)NC(=O)C3(C)C)C#N,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1554,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,5ALH,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4UA:A:1551,valid,ic50,<,0.086,uM,Cc1ccc(cc1)CNC(=O)N2CCC(CC2)(CNS(=O)(=O)c3cc(ccc3OC)C)c4ccccc4,
,,3I1Y,,,,,,,
,,,33N:A:999,valid,ic50,=,7,nM,c1ccc(cc1)C(CCNC(=O)c2cccnc2)c3ccccc3,
,,5FP0,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,SZC:A:1549,valid,ic50,=,0.017,uM,c1cc2c(c(c1)S(=O)(=O)NC3CCCC3)[nH]c(n2)c4ccc(cc4)C(F)(F)F,
,,5AM5,,,,,,,
,,,6NZ:A:1552,valid,ic50,=,1.82,uM,CCCC1=CC(=CNC1=O)C2CCCCC2,
,,,6NZ:A:1551,valid,ic50,=,1.82,uM,CCCC1=CC(=CNC1=O)C2CCCCC2,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,5ALX,,,,,,,
,,,DUL:A:1550,valid,ic50,=,3.277,uM,CCSc1cccc(c1)c2ccc(s2)C(=O)N,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AIA,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KWB:A:1553,valid,ic50,=,6.268,uM,c1cc(c(cc1C2CCCCC2)C(=O)[O-])O,
,,5ALG,,,,,,,
,,,R4N:A:1551,valid,ic50,=,0.03,uM,c1ccc2c(c1)OC[C@@H](O2)CNC(=O)c3ccc4c(c3)N(C(=O)CS4)Cc5cccc(c5)Cl,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AM2,,,,,,,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KUF:A:1552,valid,ic50,=,9.685,uM,Cc1ccc2c(c1)C(=O)NC=C2,
,,,KUF:A:1554,valid,ic50,=,9.685,uM,Cc1ccc2c(c1)C(=O)NC=C2,
,,,KUF:A:1553,valid,ic50,=,9.685,uM,Cc1ccc2c(c1)C(=O)NC=C2,
,,,KUF:A:1555,valid,ic50,=,9.685,uM,Cc1ccc2c(c1)C(=O)NC=C2,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,PEG:A:1551,invalid,,,,,C(COCCO)O,
,,4Y2Y,,,,,,,
,,,49Z:A:602,valid,ic50,=,9,uM,Cc1ccc(s1)CNCCc2ccccc2F,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5AKH,,,,,,,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NM:A:1552,valid,ic50,=,0.256,uM,c1cc(cc(c1)C(F)(F)F)c2c(cn[nH]2)c3ccncc3,
,,5AKZ,,,,,,,
,,,GOL:A:1553,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NX:A:1554,valid,ic50,=,5.49,uM,CNC(=O)NC1CCCCC1,
,,5ALT,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9XZ:A:1554,valid,ic50,=,13.1,uM,Cn1nc(nn1)c2cc(cnc2N)c3ccsc3,
,,,PEG:A:1553,invalid,,,,,C(COCCO)O,
,,4Y2V,,,,,,,
,,,4A5:A:602,valid,ic50,=,91,uM,c1c(c(nn1CC(=O)O)C2CC2)Br,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5AI8,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K2T:A:1552,valid,ic50,=,125.6,uM,Cc1ccc2c(c1)sc(n2)N,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,5AI4,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,4VY:A:1555,valid,ic50,=,331.7,uM,CN(CCO)c1ccc(cn1)Br,
,,,4VY:A:1556,valid,ic50,=,331.7,uM,CN(CCO)c1ccc(cn1)Br,
,,,GOL:A:1554,invalid,,,,,C(C(CO)O)O,
,,3I28,,,,,,,
,,,34N:A:999,valid,ic50,=,6,nM,CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F,
,,5AKI,,,,,,,
,,,PEG:A:1555,invalid,,,,,C(COCCO)O,
,,,PEG:A:1554,invalid,,,,,C(COCCO)O,
,,,PEG:A:1556,invalid,,,,,C(COCCO)O,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1557,invalid,,,,,CS(=O)C,
,,,GOL:A:1553,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,,6NF:A:1558,valid,ic50,=,0.754,uM,c1cnccc1c2cc(n[nH]2)NCC3CCCCC3,
,,5AK4,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,GVG:A:1552,valid,ic50,=,59.2,uM,Cc1c(c[nH]n1)c2ccccc2,
,,,GVG:A:1550,valid,ic50,=,59.2,uM,Cc1c(c[nH]n1)c2ccccc2,
,,,GVG:A:1551,valid,ic50,=,59.2,uM,Cc1c(c[nH]n1)c2ccccc2,
,,5ALL,,,,,,,
,,,II6:A:1552,valid,ic50,=,2.678,uM,C[C@@H]1C[C@@H](C[C@@H](C1)CO)CN,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,3WK6,,,,,,,
,,,S0B:A:603,valid,ic50,=,6.3,uM,C[C@@H]1CN=C(S1)NCCc2ccccc2,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5AKX,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,8NY:A:1551,valid,,,,,c1cc2c(cc1I)cn[nH]2,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AI0,,,,,,,
,,,PEG:A:1549,invalid,,,,,C(COCCO)O,
,,,PEG:A:1548,invalid,,,,,C(COCCO)O,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JF6:A:1554,valid,ic50,=,206.4,uM,c1ccc(cc1)c2c(non2)N,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,5ALN,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,5ZM:A:1554,valid,ic50,=,0.267,uM,CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C,
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ALZ,,,,,,,
,,,XQ9:A:1551,valid,ic50,=,0.006,uM,CS(=O)(=O)N1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)C3,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AKE,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6N0:A:1553,valid,ic50,=,0.015,uM,c1ccc2c(c1)-c3cc(ccc3S2(=O)=O)NC(=O)N4CCC(CC4)(F)F,
,,,GOL:A:1550,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,1ZD3,,,,,,,
,,,15P:A:780,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,NC4:A:790,valid,ic50,>,500,uM,C1CCC(CC1)NC(=O)NCCCC(=O)O,
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AI9,,,,,,,
,,,K78:A:1552,valid,ic50,=,0.244,uM,CC(C)(C)c1cc(c(c(c1)Br)O)CNCCCc2ccccc2,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1550,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,5ALK,,,,,,,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,WMR:A:1551,valid,ic50,=,0.252,uM,CCCCc1c2c(c3c(n[nH]c3n1)N)CC(SC2)(C)C,
,,4Y2T,,,,,,,
,,,49Q:A:602,valid,ic50,=,150,uM,c1ccc(cc1)COc2ccc(cc2)CCCO,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5ALE,,,,,,,
,,,GOL:A:1553,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ONR:A:1554,valid,ic50,=,1.132,uM,c1cc(c(cc1Cl)c2ccno2)O,
,,5AM0,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,LWS:A:1553,valid,ic50,=,1.32,uM,CC1(c2cc(cc(c2NC1=O)F)c3cccn3C)C,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AM4,,,,,,,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1556,invalid,,,,,CS(=O)C,
,,,DMS:A:1557,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1554,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,,MVJ:A:1555,valid,ic50,=,0.113,uM,c1cc2c(cc1C3CCCCC3)C4(CCOCC4)C(=O)N2,
,,4Y2J,,,,,,,
,,,49G:A:602,valid,ic50,=,800,uM,Cn1ccc(n1)CNCCc2ccccc2,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,4Y2X,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,4A0:A:602,valid,ic50,=,0.51,uM,c1ccc(c(c1)CNCCC23CC4CC(C2)CC(C4)C3)O,
,,5AK6,,,,,,,
,,,YPN:A:1553,valid,ic50,=,326.4,uM,c1cc(ncc1Cl)SCCO,
,,,YPN:A:1554,valid,ic50,=,326.4,uM,c1cc(ncc1Cl)SCCO,
,,,YPN:A:1555,valid,ic50,=,326.4,uM,c1cc(ncc1Cl)SCCO,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:1550,invalid,,,,,C(COCCO)O,
,,,PEG:A:1551,invalid,,,,,C(COCCO)O,
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,5AI5,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,BSU:A:1551,valid,ic50,=,0.093,uM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,,3WK4,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S0A:A:603,valid,ic50,=,7.4,uM,C[C@H](C1CC1)NC(=O)Nc2ccccc2,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,3WKC,,,,,,,
,,,S0J:A:603,valid,ic50,=,195,uM,Cc1cc(c(n1C[C@H]2CCCO2)C)c3csc(n3)N,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5AKL,,,,,,,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6N8:A:1551,valid,ic50,<,0.086,uM,c1ccc(cc1)C(CCNC(=O)n2cccc2)c3ccccc3,
,,5ALD,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FCW:A:1551,valid,ic50,=,1.08,uM,c1cc2c(cc1C3CCCCC3)CC(=O)N2,
,,5AKY,,,,,,,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1551,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,6NJ:A:1552,valid,,,,,c1ccc(cc1)CCc2c3ccccc3[nH]n2,
,,,6NJ:A:1553,valid,,,,,c1ccc(cc1)CCc2c3ccccc3[nH]n2,
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ALU,,,,,,,
,,,HD2:A:1551,valid,ic50,=,0.022,uM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,HD2:A:1554,valid,ic50,=,0.022,uM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,HD2:A:1548,valid,ic50,=,0.022,uM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1553,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,DMS:A:1552,invalid,,,,,CS(=O)C,
,,5ALF,,,,,,,
,,,OE1:A:1548,valid,ic50,=,0.204,uM,CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3,
,,3WKB,,,,,,,
,,,S0I:A:603,valid,ic50,=,61,uM,c1ccc(cc1)CN2CC(=O)Nc3c2cccc3,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,4Y2R,,,,,,,
,,,49O:A:602,valid,,,,,c1cc(c(nc1)N2CCNCC2)C#N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,3WK7,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,S0D:A:603,valid,ic50,=,127,uM,Cn1cc(cn1)c2[nH]c3ccccc3n2,
,,5ALM,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,DMS:A:1550,invalid,,,,,CS(=O)C,
,,,7GM:A:1551,valid,ic50,=,0.294,uM,C[C@]1(CCN(C1)CC2CC2)Oc3ccc(cc3)SC,
,,5AI6,,,,,,,
,,,DMS:A:1548,invalid,,,,,CS(=O)C,
,,,DMS:A:1549,invalid,,,,,CS(=O)C,
,,,4XH:A:1551,valid,ic50,=,40.19,uM,c1cc2c(cccn2)c(c1)Br,
,,,SO4:A:1547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1550,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4X6X,,,,,,,
,,,S74:B:601,valid,ic50,=,2.3,nM,c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5,
,,,S74:A:601,valid,ic50,=,2.3,nM,c1ccc(cc1)[C@@H]2[C@@H](C2NC(=O)N3CCC(CC3)Oc4ccc(cc4)CCC(=O)O)c5ccccc5,
,,3ANT,,,,,,,
,,,S82:A:601,valid,ic50,=,8.5,nM,CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4,
,,,S82:B:602,valid,ic50,=,8.5,nM,CC(C)c1nc(on1)C2CCN(CC2)C(=O)N[C@H]3C[C@@H]3c4ccccc4,
,,6YL4,,,,,,,
,,,OWW:A:601,valid,ic50,=,0.007,uM,C[C@H](C#Cc1cccc(c1)C(=O)NCC[C@@H](c2ccccc2)c3ccc(cc3)OC(F)(F)F)N(C(=O)N)O,
,,4JNC,,,,,,,
,,,1LF:A:601,valid,ic50,=,3,nM,Cc1nc(nc(n1)N2CCC(CC2)C(=O)NCc3ccccc3C(F)(F)F)NC,
,,6I5G,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,PTG:B:607,valid,Ki,=,8.56,uM,CCCCCC=CC=C1[C@H](C=CC1=O)CC=CCCCC(=O)O,
,,,PTG:A:607,valid,Ki,=,8.56,uM,CCCCCC=CC=C1[C@H](C=CC1=O)CC=CCCCC(=O)O,
,,6FR2,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,E3N:A:601,valid,ic50,=,4.99,nM,CC(C)S(=O)(=O)N1CCC2(CC1)C[C@H](CCO2)NC(=O)NCc3ccc(cc3)OC(F)(F)F,
,,4X6Y,,,,,,,
,,,S94:B:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4,
,,,S94:A:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)N3CCC(CC3)Oc4ccccc4,
,,3ANS,,,,,,,
,,,S38:A:601,valid,ic50,=,565,nM,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N,
,,,S38:B:602,valid,ic50,=,565,nM,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N,
,,6HGV,,,,,,,
,,,G3Q:A:602,valid,ic50,=,2.8,uM,CC(C)(C)NC[C@H](COc1ccc(cc1)NC(=O)NC2CCCCC2)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,6HGX,,,,,,,
,,,G3T:A:602,valid,ic50,=,0.077,uM,CC(C)(C)N1CCO[C@@H](C1)COc2ccc(cc2)NC(=O)NC3CCCCC3,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2ZJF,,,,,,,
,,,ACT:A:357,invalid,,,,,CC(=O)[O-],
,,,ACT:A:358,invalid,,,,,CC(=O)[O-],
,,,ACT:A:359,invalid,,,,,CC(=O)[O-],
,,,BSU:A:360,valid,ic50,=,19,nM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,Family. Representative Entry is ,5NG7,,,,,,,
,,,PEG:B:305,invalid,,,,,C(COCCO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,SER:B:303,valid,,,,,C([C@@H](C(=O)O)N)O,
2.4.1.186,,,,,,,,,
,Family. Representative Entry is ,3V91,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,UPG:A:304,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3V8Z,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,UDP:A:305,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3U2U,,,,,,,
,,,GLC GLC GLC GLC:C:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:273,invalid,,,,,C(C(CO)O)O,
,,,MN:A:267,Part of Protein,,,,,[Mn+2],
,,,MN:B:267,Part of Protein,,,,,[Mn+2],
,,,SO4:B:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:268,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:268,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3U2V,,,,,,,
,,,GLC GLC GLC GLC GLC GLC:C:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:D:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GOL:A:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:274,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:276,invalid,,,,,C(C(CO)O)O,
,,,MN:A:269,Part of Protein,,,,,[Mn+2],
,,,MN:B:269,Part of Protein,,,,,[Mn+2],
,,,SO4:A:273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:270,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:270,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3QVB,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,EDO:A:267,invalid,,,,,C(CO)O,
,,,EDO:A:268,invalid,,,,,C(CO)O,
,,,EDO:A:269,invalid,,,,,C(CO)O,
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,UDP:A:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3T7M,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,EDO:A:267,invalid,,,,,C(CO)O,
,,,EDO:A:268,invalid,,,,,C(CO)O,
,,,EDO:A:269,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:A:271,invalid,,,,,C(CO)O,
,,,EDO:A:272,invalid,,,,,C(CO)O,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:A:276,invalid,,,,,C(CO)O,
,,,EDO:B:265,invalid,,,,,C(CO)O,
,,,EDO:B:266,invalid,,,,,C(CO)O,
,,,EDO:B:267,invalid,,,,,C(CO)O,
,,,EDO:B:268,invalid,,,,,C(CO)O,
,,,EDO:B:269,invalid,,,,,C(CO)O,
,,,EDO:B:270,invalid,,,,,C(CO)O,
,,,EDO:B:271,invalid,,,,,C(CO)O,
,,,EDO:B:272,invalid,,,,,C(CO)O,
,,,EDO:B:273,invalid,,,,,C(CO)O,
,,,EDO:B:274,invalid,,,,,C(CO)O,
,,,EDO:B:275,invalid,,,,,C(CO)O,
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,MN:B:263,Part of Protein,,,,,[Mn+2],
,,,UDP:A:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6EQL,,,,,,,
,,,2PE:B:303,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,3U2W,,,,,,,
,,,GLC:B:266,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:267,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,LCN:A:268,valid,,,,,C1=C([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,MN:B:263,Part of Protein,,,,,[Mn+2],
,,,UDP:A:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3T7O,,,,,,,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,EDO:A:267,invalid,,,,,C(CO)O,
,,,EDO:A:268,invalid,,,,,C(CO)O,
,,,EDO:A:269,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:A:271,invalid,,,,,C(CO)O,
,,,EDO:A:272,invalid,,,,,C(CO)O,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:B:265,invalid,,,,,C(CO)O,
,,,EDO:B:266,invalid,,,,,C(CO)O,
,,,EDO:B:267,invalid,,,,,C(CO)O,
,,,EDO:B:268,invalid,,,,,C(CO)O,
,,,EDO:B:269,invalid,,,,,C(CO)O,
,,,EDO:B:270,invalid,,,,,C(CO)O,
,,,EDO:B:271,invalid,,,,,C(CO)O,
,,,EDO:B:272,invalid,,,,,C(CO)O,
,,,EDO:B:273,invalid,,,,,C(CO)O,
,,,GLC:A:263,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:264,Part of Protein,,,,,[Mn+2],
,,,MN:B:263,Part of Protein,,,,,[Mn+2],
,,,UPG:A:265,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3T7N,,,,,,,
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,MN:B:263,Part of Protein,,,,,[Mn+2],
,,,UDP:A:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3RMW,,,,,,,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,EDO:A:267,invalid,,,,,C(CO)O,
,,,EDO:A:268,invalid,,,,,C(CO)O,
,,,EDO:A:269,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:A:271,invalid,,,,,C(CO)O,
,,,EDO:A:272,invalid,,,,,C(CO)O,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:A:276,invalid,,,,,C(CO)O,
,,,EDO:A:277,invalid,,,,,C(CO)O,
,,,MG:A:265,Part of Protein,,,,,[Mg+2],
,,,MN:A:264,Part of Protein,,,,,[Mn+2],
,,,UPG:A:263,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3RMV,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,MG:A:267,Part of Protein,,,,,[Mg+2],
,,,MN:A:263,Part of Protein,,,,,[Mn+2],
,,,UDP:A:264,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1LL2,,,,,,,
,,,MN:A:333,Part of Protein,,,,,[Mn+2],
,,,UPG:A:334,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1ZDF,,,,,,,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:411,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1ZDG,,,,,,,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:411,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
2.8.1.6,,,,,,,,,
,Family. Representative Entry is ,3T7V,,,,,,,
,,,MD0:A:993,valid,,,,,C[C@H](CCN)[C@H](C(=O)O)N,
,,,SAM:A:992,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:991,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
1.13.11.12,,,,,,,,,
,Family. Representative Entry is ,1JNQ,,,,,,,
,,,EGT:A:871,valid,,,,,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O,
,,,FE2:A:858,Part of Protein,,,,,[Fe+2],
,,1N8Q,,,,,,,
,,,DHB:A:859,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE2:A:858,Part of Protein,,,,,[Fe+2],
,,1HU9,,,,,,,
,,,4HM:A:861,valid,,,,,COc1cc(ccc1O)OO,
,,,FE:A:858,Part of Protein,,,,,[Fe+3],
,,1NO3,,,,,,,
,,,4NC:A:859,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,FE:A:858,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,5IR4,,,,,,,
,,,PEG:A:712,invalid,,,,,C(COCCO)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,CL:A:710,invalid,,,,,[Cl-],
,,,ZPE:A:702,valid,,,,,CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=CCCCCCC)CO[P@@](=O)(O)OCCN,
,,,MG:A:711,Part of Protein,,,,,[Mg+2],
,,4G32,,,,,,,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,ZPE:A:702,valid,,,,,CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=CCCCCCC)CO[P@@](=O)(O)OCCN,
,,4G33,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,ZPE:A:702,valid,,,,,CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=CCCCCCC)CO[P@@](=O)(O)OCCN,
,,5IR5,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,NA:A:706,invalid,,,,,[Na+],
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,ZPE:A:702,valid,,,,,CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=CCCCCCC)CO[P@@](=O)(O)OCCN,
,,5LC8,,,,,,,
,,,MG:A:706,Part of Protein,,,,,[Mg+2],
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,ZPE:A:703,valid,,,,,CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=CCCCCCC)CO[P@@](=O)(O)OCCN,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
2.7.1.161,,,,,,,,,
,Family. Representative Entry is ,2VBU,,,,,,,
,,,CDP:A:1133,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:1134,Part of Protein,,,,,[Mg+2],
,,,MRD:A:1135,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1136,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1137,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,2VBV,,,,,,,
,,,CDP:A:1135,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1137,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:A:1139,invalid,,,,,[Cl-],
,,,FMN:A:1140,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IOD:A:1138,invalid,,,,,[I-],
,,,MG:A:1136,Part of Protein,,,,,[Mg+2],
,,,MG:B:1136,Part of Protein,,,,,[Mg+2],
3.5.1.88,,,,,,,,,
,Family. Representative Entry is ,1WS1,,,,,,,
,,,BB2:A:400,valid,Ki,=,0.28,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,NI:A:200,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4EOX,,,,,,,
,,,0S5:P:302,valid,ic50,=,0.28,nM,c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O,
,,,NI:P:301,Part of Protein,,,,,[Ni+2],
,,3SW8,,,,,,,
,,,5LI:P:205,valid,Ki,=,25910,nM,c1cc(c(c(c1)Cl)Cl)C(=O)NCCN(C=O)O,
,,,NI:P:204,Part of Protein,,,,,[Ni+2],
,,,SO4:P:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SVJ,,,,,,,
,,,4LI:P:207,valid,Ki,=,117,nM,Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NC)C(=O)NC,
,,,GOL:P:209,invalid,,,,,C(C(CO)O)O,
,,,NI:P:208,Part of Protein,,,,,[Ni+2],
,,,SO4:P:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AI7,,,,,,,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,SB7:A:300,valid,ic50,=,0.4,uM,c1ccc(cc1)CCCN(CO)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AIE,,,,,,,
,,,NI:P:502,Part of Protein,,,,,[Ni+2],
,,,SB9:P:501,valid,ic50,=,2.2,uM,Cc1cccc(n1)CCCN(C=O)O,
,,,SO4:P:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AIA,,,,,,,
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,SB8:A:501,valid,ic50,=,3.9,uM,c1ccc(cc1)C(=O)c2cccc(c2)OCCN(C=O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6OW7,,,,,,,
,,,NI:Q:301,Part of Protein,,,,,[Ni+2],
,,,NI:P:301,Part of Protein,,,,,[Ni+2],
,,,SO4:P:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,N9Y:Q:303,valid,ic50,=,1,nM,c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O,
,,,N9Y:P:303,valid,ic50,=,1,nM,c1ccnc(c1)NC(=O)[C@@H]2CCCNN2C(=O)[C@H](CC3CCCC3)CN(C=O)O,
,,6OW2,,,,,,,
,,,NB4:P:302,valid,ic50,=,3,nM,Cc1nc(c(c(n1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)O,
,,,NI:P:301,Part of Protein,,,,,[Ni+2],
,,3STR,,,,,,,
,,,3LI:P:209,valid,Ki,=,334,nM,Cc1cccc(c1Nc2nc(nc(n2)N3CCN(CC3)c4ccccc4Cl)[N@@]5CSC[C@H]5C(=O)NCC(=O)NO)C(=O)NC,
,,,GOL:P:210,invalid,,,,,C(C(CO)O)O,
,,,NI:P:204,Part of Protein,,,,,[Ni+2],
,,,SO4:P:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3G5K,,,,,,,
,,,BB2:A:1001,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:1002,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:C:1003,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:D:1004,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,CO:A:1002,Part of Protein,,,,,[Co+2],
,,,CO:B:1003,Part of Protein,,,,,[Co+2],
,,,CO:C:1,Part of Protein,,,,,[Co+2],
,,,CO:D:2,Part of Protein,,,,,[Co+2],
,Family. Representative Entry is ,4JE7,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,BB2:B:201,valid,Kd,=,395,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:A:201,valid,Kd,=,395,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,4JE8,,,,,,,
,,,MET ALA SER:E:1,valid,Kd,=,6100,nM,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:D:1,valid,Kd,=,6100,nM,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,ZN:B:200,Part of Protein,,,,,[Zn+2],
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3G6N,,,,,,,
,,,FE:A:188,Part of Protein,,,,,[Fe+3],
,,,FE:B:188,Part of Protein,,,,,[Fe+3],
,,,MET ALA SER:F:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:G:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,NA:A:189,invalid,,,,,[Na+],
,,,NA:B:189,invalid,,,,,[Na+],
,,,NA:B:190,invalid,,,,,[Na+],
,,,NA:B:191,invalid,,,,,[Na+],
,,,NA:B:192,invalid,,,,,[Na+],
,Family. Representative Entry is ,2OKL,,,,,,,
,,,BB2:A:401,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:A:404,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:402,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:403,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1Q1Y,,,,,,,
,,,BB2:A:301,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2EW5,,,,,,,
,,,CO:A:300,Part of Protein,,,,,[Co+2],
,,,Y12:A:200,valid,ic50,=,1.25,uM,CC(=O)Oc1ccc(cc1OC(=O)C)C=CC(=O)NCCc2ccccc2,
,,2EW6,,,,,,,
,,,CO:A:300,Part of Protein,,,,,[Co+2],
,,,Y13:A:200,valid,ic50,=,10.8,uM,c1cc(ccc1CCNC(=O)C=Cc2ccc(c(c2)O)O)O,
,Family. Representative Entry is ,3E3U,,,,,,,
,,,NI:A:200,Part of Protein,,,,,[Ni+2],
,,,NVC:A:201,valid,ic50,=,0.013,uM,CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2,
,,,NVC:A:202,valid,ic50,=,0.013,uM,CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2,
,,,NVC:A:203,valid,ic50,=,0.013,uM,CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2,
,Family. Representative Entry is ,1LQY,,,,,,,
,,,BB2:A:401,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1S17,,,,,,,
,,,GNR:A:501,valid,ic50,<,5,nM,c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO,
,,,GNR:B:601,valid,ic50,<,5,nM,c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:B:302,Part of Protein,,,,,[Ni+2],
,,1IX1,,,,,,,
,,,BB2:A:1301,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:2301,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,MHA:A:401,invalid,,,,,C(C(=O)N)N(CC(=O)O)CC(=O)O,
,,,MHA:B:1401,invalid,,,,,C(C(=O)N)N(CC(=O)O)CC(=O)O,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4DR9,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,BB2:B:203,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:C:204,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:D:203,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:A:203,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BR:C:203,invalid,,,,,[Br-],
,,,BR:D:202,invalid,,,,,[Br-],
,,,BR:B:202,invalid,,,,,[Br-],
,,,BR:C:202,invalid,,,,,[Br-],
,,,BR:A:202,invalid,,,,,[Br-],
,Family. Representative Entry is ,5JF2,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,SF7:A:301,valid,Ki,=,13,nM,CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)F,
,,5JF3,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,SF5:A:301,valid,Ki,=,38,nM,CCCC[C@H](CC(=O)NO)c1nc(no1)Cc2ccc(cc2)C(=O)OC,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5JEZ,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,MET ALA SER:D:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,5JF7,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,6JU:A:301,valid,Ki,=,909,nM,c1ccc(cc1)Cc2cn(c3c2cc(cc3)Br)CC(=O)NO,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5JF5,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,7JT:A:301,valid,Ki,=,63,nM,c1cc2c(cc1Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO)OCO2,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5JF0,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,MET ALA ARG:D:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)C)C,
,,,NI:A:304,Part of Protein,,,,,[Ni+2],
,,,NI:A:305,Part of Protein,,,,,[Ni+2],
,,,NI:A:306,Part of Protein,,,,,[Ni+2],
,,,NI:A:307,Part of Protein,,,,,[Ni+2],
,,,NI:A:303,Part of Protein,,,,,[Ni+2],
,,,NI:A:308,Part of Protein,,,,,[Ni+2],
,,,NI:A:309,Part of Protein,,,,,[Ni+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,5JF4,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,6JT:A:301,valid,Ki,=,65,nM,c1ccc2c(c1)c(co2)Cc3nc(on3)[C@H](CC4CCCC4)CC(=O)NO,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5JF6,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,BB4:A:301,valid,Ki,=,62,nM,c1cc2c(cc1Br)c(c[nH]2)CC(=O)NO,
,,5JF1,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,BB2:A:301,valid,Ki,=,64,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,5JF8,,,,,,,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,PN3:A:301,valid,Ki,=,1428,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3M6P,,,,,,,
,,,BB2:A:194,valid,Ki,=,0.9,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:194,valid,Ki,=,0.9,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:A:195,Part of Protein,,,,,[Zn+2],
,,,ZN:A:196,Part of Protein,,,,,[Zn+2],
,,,ZN:A:197,Part of Protein,,,,,[Zn+2],
,,,ZN:A:198,Part of Protein,,,,,[Zn+2],
,,,ZN:A:199,Part of Protein,,,,,[Zn+2],
,,,ZN:B:195,Part of Protein,,,,,[Zn+2],
,,,ZN:B:196,Part of Protein,,,,,[Zn+2],
,,,ZN:B:197,Part of Protein,,,,,[Zn+2],
,,,ZN:B:198,Part of Protein,,,,,[Zn+2],
,,3M6R,,,,,,,
,,,BB2:A:194,valid,Kd,=,32,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:194,valid,Kd,=,32,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:C:194,valid,Kd,=,32,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:D:194,valid,Kd,=,32,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:A:195,Part of Protein,,,,,[Zn+2],
,,,ZN:A:196,Part of Protein,,,,,[Zn+2],
,,,ZN:A:197,Part of Protein,,,,,[Zn+2],
,,,ZN:A:198,Part of Protein,,,,,[Zn+2],
,,,ZN:A:199,Part of Protein,,,,,[Zn+2],
,,,ZN:B:195,Part of Protein,,,,,[Zn+2],
,,,ZN:B:196,Part of Protein,,,,,[Zn+2],
,,,ZN:B:197,Part of Protein,,,,,[Zn+2],
,,,ZN:B:198,Part of Protein,,,,,[Zn+2],
,,,ZN:C:195,Part of Protein,,,,,[Zn+2],
,,,ZN:C:196,Part of Protein,,,,,[Zn+2],
,,,ZN:C:197,Part of Protein,,,,,[Zn+2],
,,,ZN:C:198,Part of Protein,,,,,[Zn+2],
,,,ZN:C:199,Part of Protein,,,,,[Zn+2],
,,,ZN:D:195,Part of Protein,,,,,[Zn+2],
,,,ZN:D:196,Part of Protein,,,,,[Zn+2],
,,,ZN:D:197,Part of Protein,,,,,[Zn+2],
,,,ZN:D:198,Part of Protein,,,,,[Zn+2],
,,,ZN:D:199,Part of Protein,,,,,[Zn+2],
,,3PN4,,,,,,,
,,,BB2:A:501,valid,Ki,=,140,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,3PN3,,,,,,,
,,,PN3:A:194,valid,Ki,=,400,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O,
,,,PN3:B:194,valid,Ki,=,400,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(C=O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1007,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1009,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1010,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1012,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1014,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1011,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1013,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1015,Part of Protein,,,,,[Zn+2],
,,3M6Q,,,,,,,
,,,BB2:A:194,valid,Kd,=,48,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:A:195,Part of Protein,,,,,[Zn+2],
,,,ZN:A:196,Part of Protein,,,,,[Zn+2],
,,,ZN:A:197,Part of Protein,,,,,[Zn+2],
,,,ZN:A:198,Part of Protein,,,,,[Zn+2],
,,,ZN:A:199,Part of Protein,,,,,[Zn+2],
4.2.2.18,,,,,,,,,
,Family. Representative Entry is ,2INV,,,,,,,
,,,2PO:A:1002,invalid,,,,,[O-]P(=O)[O-],
,,,2PO:B:1001,invalid,,,,,[O-]P(=O)[O-],
,,,FRU FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
1.3.8.-,,,,,,,,,
,Family. Representative Entry is ,6ES9,,,,,,,
,,,COA:B:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.1.1.262,,,,,,,,,
,Family. Representative Entry is ,1PS6,,,,,,,
,,,4TP:A:332,valid,,,,,C([C@H]([C@@H](C(=O)O)N)O)OP(=O)(O)O,
,,,ZN:A:330,Part of Protein,,,,,[Zn+2],
,,,ZN:B:331,Part of Protein,,,,,[Zn+2],
3.1.26.5,,,,,,,,,
,Family. Representative Entry is ,6MAX,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9TF:A:203,valid,Ki,=,1.9,uM,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)O)O)O,
2.4.99.1,,,,,,,,,
,Family. Representative Entry is ,6QVT,,,,,,,
,,,NCC:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O,
,,,NCC:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4R84,,,,,,,
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CSF:C:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:D:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
1.4.3.22,,,,,,,,,
,Family. Representative Entry is ,3HIG,,,,,,,
,,,BRN:A:901,valid,Ki,=,13,nM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,BRN:B:901,valid,Ki,=,13,nM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CU:A:801,Part of Protein,,,,,[Cu+2],
,,,CU:B:801,Part of Protein,,,,,[Cu+2],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3HII,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CU:A:801,Part of Protein,,,,,[Cu+2],
,,,CU:B:801,Part of Protein,,,,,[Cu+2],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PNT:A:901,valid,Ki,=,290,nM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,,PNT:B:901,valid,Ki,=,290,nM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
1.14.14.1,,,,,,,,,
,Family. Representative Entry is ,2FDW,,,,,,,
,,,D3G:A:501,valid,Ki,=,130,nM,c1cc(cnc1)c2ccc(o2)CN,
,,,D3G:B:501,valid,Ki,=,130,nM,c1cc(cnc1)c2ccc(o2)CN,
,,,D3G:C:501,valid,Ki,=,130,nM,c1cc(cnc1)c2ccc(o2)CN,
,,,D3G:D:501,valid,Ki,=,130,nM,c1cc(cnc1)c2ccc(o2)CN,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3T3R,,,,,,,
,,,9PL:A:501,valid,Ki,=,101,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:B:501,valid,Ki,=,101,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:C:501,valid,Ki,=,101,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:D:501,valid,Ki,=,101,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2FDY,,,,,,,
,,,D4G:A:501,valid,,,,,c1cnccc1SSc2ccncc2,
,,,D4G:B:501,valid,,,,,c1cnccc1SSc2ccncc2,
,,,D4G:C:501,valid,,,,,c1cnccc1SSc2ccncc2,
,,,D4G:D:501,valid,,,,,c1cnccc1SSc2ccncc2,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FDV,,,,,,,
,,,D2G:A:501,valid,Ki,=,800,nM,CNCc1ccc(o1)c2cccnc2,
,,,D2G:B:501,valid,Ki,=,800,nM,CNCc1ccc(o1)c2cccnc2,
,,,D2G:C:501,valid,Ki,=,800,nM,CNCc1ccc(o1)c2cccnc2,
,,,D2G:D:501,valid,Ki,=,800,nM,CNCc1ccc(o1)c2cccnc2,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:C:2001,invalid,,,,,C(CO)O,
,,,EDO:C:2002,invalid,,,,,C(CO)O,
,,,EDO:C:2004,invalid,,,,,C(CO)O,
,,,EDO:C:2005,invalid,,,,,C(CO)O,
,,,EDO:C:2006,invalid,,,,,C(CO)O,
,,,EDO:D:2007,invalid,,,,,C(CO)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EJH,,,,,,,
,,,0QA:A:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:B:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:C:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:D:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:E:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:F:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,GOL:G:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:502,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3EBS,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,N4E:A:1,valid,Kd,=,21,uM,CCOc1ccc(cc1)NC(=O)C,
,,,N4E:B:1,valid,Kd,=,21,uM,CCOc1ccc(cc1)NC(=O)C,
,,,N4E:D:1,valid,Kd,=,21,uM,CCOc1ccc(cc1)NC(=O)C,
,,1Z10,,,,,,,
,,,COU:A:501,valid,Kd,=,0.27,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:B:501,valid,Kd,=,0.27,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:C:501,valid,Kd,=,0.27,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:D:501,valid,Kd,=,0.27,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,GOL:B:900,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4EJI,,,,,,,
,,,0QA:A:502,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,0QA:A:503,valid,Kd,=,4.4,uM,CN(CCCC(=O)c1cccnc1)N=O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2FDU,,,,,,,
,,,D1G:A:501,valid,Ki,=,14200,nM,CN(C)Cc1ccc(o1)c2cccnc2,
,,,D1G:B:501,valid,Ki,=,14200,nM,CN(C)Cc1ccc(o1)c2cccnc2,
,,,D1G:C:501,valid,Ki,=,14200,nM,CN(C)Cc1ccc(o1)c2cccnc2,
,,,D1G:D:501,valid,Ki,=,14200,nM,CN(C)Cc1ccc(o1)c2cccnc2,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2P85,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IND:A:501,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:A:507,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:B:502,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:B:508,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:C:503,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:C:509,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:D:504,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:D:510,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:E:505,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:E:511,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:F:506,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:F:512,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,1Z11,,,,,,,
,,,8MO:A:501,valid,Kd,=,1.9,uM,COc1c2c(cco2)cc3c1OC(=O)C=C3,
,,,8MO:B:501,valid,Kd,=,1.9,uM,COc1c2c(cco2)cc3c1OC(=O)C=C3,
,,,8MO:C:501,valid,Kd,=,1.9,uM,COc1c2c(cco2)cc3c1OC(=O)C=C3,
,,,8MO:D:501,valid,Kd,=,1.9,uM,COc1c2c(cco2)cc3c1OC(=O)C=C3,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4EJJ,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NCT:A:501,valid,Kd,=,470,uM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:B:501,valid,Kd,=,470,uM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:C:501,valid,Kd,=,470,uM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:D:501,valid,Kd,=,470,uM,C[N@@]1CCC[C@H]1c2cccnc2,
,,4EJG,,,,,,,
,,,GOL:H:502,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NCT:A:501,valid,,,,,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:B:501,valid,,,,,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:C:501,valid,,,,,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:D:501,valid,,,,,C[N@@]1CCC[C@H]1c2cccnc2,
,,3T3Q,,,,,,,
,,,9PL:A:501,valid,Ki,=,49,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:B:501,valid,Ki,=,49,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:C:501,valid,Ki,=,49,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:D:501,valid,Ki,=,49,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,1ZOA,,,,,,,
,,,140:A:1470,valid,Kd,=,45,nM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,140:B:1471,valid,Kd,=,45,nM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,GOL:B:1480,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1481,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:B:1490,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1491,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6H1L,,,,,,,
,,,TLA:A:505,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:B:508,invalid,,,,,C(COCCO)O,
,,,FJQ:A:501,valid,Kd,=,24.5,uM,c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl,
,,,FJQ:B:501,valid,Kd,=,24.5,uM,c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3Cl,
,,,DIO:A:506,invalid,,,,,C1COCCO1,
,,1JPZ,,,,,,,
,,,140:A:1470,valid,Kd,=,262,nM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,140:B:2470,valid,Kd,=,262,nM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,HEM:A:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6JZS,,,,,,,
,,,MNH:C:504,Part of Protein,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,MNH:A:503,Part of Protein,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+2]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,0PY:C:502,invalid,,,,,c1ccncc1,
,,,0PY:A:501,invalid,,,,,c1ccncc1,
,,,0PY:C:501,invalid,,,,,c1ccncc1,
,,,WAA:A:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:C:503,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,3EKD,,,,,,,
,,,HEM:A:472,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PAM:A:471,valid,Kd,=,7.4,uM,CCCCCCC=C/CCCCCCCC(=O)O,
,,6K24,,,,,,,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,WAA:A:501,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:B:501,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,CV0:B:502,invalid,,,,,CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C,
,,,CV0:A:502,invalid,,,,,CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Rh]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)CC)C)C,
,,4KEW,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1C6:B:502,valid,Kd,=,1.67,uM,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,,1C6:A:502,valid,Kd,=,1.67,uM,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,4HGG,,,,,,,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SYN:B:502,valid,,,,,C=Cc1ccccc1,
,,,SYN:A:502,valid,,,,,C=Cc1ccccc1,
,,5XA3,,,,,,,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,DMS:C:502,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:D:502,invalid,,,,,CS(=O)C,
,,,PRO PHQ PHE:D:504,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)OCc2ccccc2)CCC1)Cc1ccccc1,
,,,PRO PHQ PHE:B:504,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)OCc2ccccc2)CCC1)Cc1ccccc1,
,,,PRO PHQ PHE:A:504,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)OCc2ccccc2)CCC1)Cc1ccccc1,
,,,PRO PHQ PHE:C:504,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)OCc2ccccc2)CCC1)Cc1ccccc1,
,,4DTW,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,SRO:A:501,valid,Kd,=,80,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:502,valid,Kd,=,80,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,6H1O,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VOR:A:502,valid,,,,,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,,VOR:B:502,valid,,,,,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,4KEY,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1C6:B:502,valid,Kd,=,0.212,uM,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,,1C6:A:502,valid,Kd,=,0.212,uM,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,4O4P,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1C6:B:502,valid,,,,,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,,1C6:A:502,valid,,,,,Cc1cnc(c(c1OC)C)CSc2[nH]c3cc(ccc3n2)OC,
,,6JS8,,,,,,,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,C5R:A:503,valid,,,,,CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,C5R:B:503,valid,,,,,CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,4HGH,,,,,,,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,SYN:B:502,valid,,,,,C=Cc1ccccc1,
,,,SYN:A:502,valid,,,,,C=Cc1ccccc1,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,4DTZ,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LDP:A:501,valid,Kd,=,8.9,uM,c1cc(c(cc1CCN)O)O,
,,,LDP:B:501,valid,Kd,=,8.9,uM,c1cc(c(cc1CCN)O)O,
,,5DYZ,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,140:C:502,valid,Kd,=,0.54,uM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,4DUB,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LDP:A:501,valid,Kd,=,1.3,uM,c1cc(c(cc1CCN)O)O,
,,,LDP:B:501,valid,Kd,=,1.3,uM,c1cc(c(cc1CCN)O)O,
,,3BEN,,,,,,,
,,,HEM:A:470,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LEH:A:500,valid,Kd,=,0.32,uM,CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1,
,,,LEH:B:500,valid,Kd,=,0.32,uM,CC(C)C[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCn1ccnc1,
,,,MES:B:490,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:B:470,Part of Protein,,,,,[Mg+2],
,,5JQ2,,,,,,,
,,,140:A:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,140:B:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RU8:B:503,invalid,,,,,c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61,
,,,RU8:A:503,invalid,,,,,c1c2c3c4c(c1NC(=O)CI)C=CC=[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7)C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=[N]61,
,,6LY4,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,TES:A:501,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,HEM:A:511,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4HGI,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SYN:A:502,valid,,,,,C=Cc1ccccc1,
,,,SYN:B:503,valid,,,,,C=Cc1ccccc1,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,4DUF,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SRO:A:501,valid,Kd,=,3.3,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:501,valid,Kd,=,3.3,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:C:501,valid,Kd,=,3.3,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:D:501,valid,Kd,=,3.3,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,3KX3,,,,,,,
,,,140:A:1470,valid,,,,,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,140:B:1470,valid,,,,,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,,HEM:A:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6JLV,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:514,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:512,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,WAA:B:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:A:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,MG:A:515,Part of Protein,,,,,[Mg+2],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4KPA,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,140:A:502,valid,Kd,=,0.37,uM,CCCCCCCCCCCCCCCC(=O)NCC(=O)O,
,,6H1T,,,,,,,
,,,MPD:C:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:511,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:506,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL6:C:502,valid,Kd,=,32.8,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,CL6:B:502,valid,Kd,=,32.8,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,CL6:A:502,valid,Kd,=,32.8,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,CL6:D:502,valid,Kd,=,32.8,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,PEG:D:509,invalid,,,,,C(COCCO)O,
,,,MPO:D:505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:504,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,PGE:B:510,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:508,invalid,,,,,C(COCCOCCO)O,
,,4HGF,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,SYN:B:502,valid,,,,,C=Cc1ccccc1,
,,,SYN:A:502,valid,,,,,C=Cc1ccccc1,
,,6K58,,,,,,,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,D0L:A:503,valid,,,,,CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O,
,,,D0L:B:503,valid,,,,,CCCCCCCN1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1ZO9,,,,,,,
,,,EPM:A:1470,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,
,,,EPM:B:1471,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O,
,,,GOL:A:1472,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1473,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1476,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1478,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1480,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1481,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1482,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1483,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1484,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1485,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1474,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1477,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1479,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:471,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:B:1490,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1491,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4DU2,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LDP:A:501,valid,Kd,=,3.3,uM,c1cc(c(cc1CCN)O)O,
,,,LDP:B:501,valid,Kd,=,3.3,uM,c1cc(c(cc1CCN)O)O,
,,6JVC,,,,,,,
,,,COH:A:512,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,COH:C:514,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Co]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=C2)C=C)C)C)CCC(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,DMS:C:515,invalid,,,,,CS(=O)C,
,,,DMS:A:513,invalid,,,,,CS(=O)C,
,,,WAA:A:501,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:C:501,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,TRS:C:516,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6JMH,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:514,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,WAA:B:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:A:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,MI9:A:501,invalid,,,,,CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C,
,,,MI9:B:501,invalid,,,,,CCc1c(c2n3c1C=C4C(=C(C5=[N]4[Mo]36(=O)[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C,
,,6K9S,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,WAA:B:510,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:A:509,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,RUR CMO:B:501,invalid,,,,,,
,,,RUR CMO:A:501,invalid,,,,,,
,,6H1S,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TPF:B:501,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:A:501,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,4DUE,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SRO:A:501,valid,Kd,=,0.7,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:501,valid,Kd,=,0.7,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,6JO1,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,BWX:A:502,valid,,,,,C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,
,,,BWX:B:502,valid,,,,,C[C@@H](c1ccc(cc1)CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6JMW,,,,,,,
,,,BW9:B:501,invalid,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C,
,,,BW9:A:501,invalid,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Cr]36[N]7=C(C=C8N6C(=C5)C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=C)C,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,WAA:B:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,,,WAA:A:502,valid,,,,,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)C,
,Family. Representative Entry is ,1N6B,,,,,,,
,,,DMZ:A:501,valid,Kd,=,20,uM,Cc1ccc(cc1)S(=O)(=O)[N@](C)c2ccnn2c3ccccc3,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NR6,,,,,,,
,,,DIF:A:501,valid,Kd,~,50,uM,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1BVY,,,,,,,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,FMN:F:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HEM:A:1000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,2NNJ,,,,,,,
,,,225:A:501,valid,Ki,=,90,nM,CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PLM:A:502,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4DQL,,,,,,,
,,,1PE:A:1104,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:A:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1102,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1102,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PG4:A:1105,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1104,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1105,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DQK,,,,,,,
,,,FAD:A:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PG4:A:1105,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1106,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1105,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1106,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4XRZ,,,,,,,
,,,ZN:D:603,Part of Protein,,,,,[Zn+2],
,,,ZN:D:605,Part of Protein,,,,,[Zn+2],
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:A:607,Part of Protein,,,,,[Zn+2],
,,,ZN:D:604,Part of Protein,,,,,[Zn+2],
,,,ZN:C:605,Part of Protein,,,,,[Zn+2],
,,,ZN:C:604,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,ZN:C:603,Part of Protein,,,,,[Zn+2],
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,SI6:C:602,valid,ic50,=,0.37,uM,c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4,
,,,SI6:D:602,valid,ic50,=,0.37,uM,c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4,
,,,SI6:A:602,valid,ic50,=,0.37,uM,c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4,
,,,SI6:B:602,valid,ic50,=,0.37,uM,c1cc(c(cc1F)F)[C@]23CO[C@H](C[C@H]2CSC(=N3)N)c4c[nH]nc4,
,,,NA:D:607,Part of Protein,,,,,[Na+],
,,,NA:B:606,Part of Protein,,,,,[Na+],
,,,NA:A:608,invalid,,,,,[Na+],
,,,NA:C:607,Part of Protein,,,,,[Na+],
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4WNU,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,QDN:C:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QDN:B:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QDN:A:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QDN:D:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,DMS:C:603,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:D:603,invalid,,,,,CS(=O)C,
,,,DMS:B:603,invalid,,,,,CS(=O)C,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:D:604,Part of Protein,,,,,[Zn+2],
,,,ZN:C:604,Part of Protein,,,,,[Zn+2],
,,4WNV,,,,,,,
,,,QI9:D:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QI9:B:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QI9:C:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,QI9:A:602,valid,,,,,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:606,Part of Protein,,,,,[Zn+2],
,,,ZN:A:606,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:A:607,Part of Protein,,,,,[Zn+2],
,,,ZN:C:605,Part of Protein,,,,,[Zn+2],
,,,ZN:D:604,Part of Protein,,,,,[Zn+2],
,,,ZN:B:605,Part of Protein,,,,,[Zn+2],
,,,NA:B:606,Part of Protein,,,,,[Na+],
,,,NA:D:605,Part of Protein,,,,,[Na+],
,,4XRY,,,,,,,
,,,ZN:D:603,Part of Protein,,,,,[Zn+2],
,,,ZN:D:605,Part of Protein,,,,,[Zn+2],
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:C:607,Part of Protein,,,,,[Zn+2],
,,,ZN:C:606,Part of Protein,,,,,[Zn+2],
,,,ZN:A:606,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:D:606,Part of Protein,,,,,[Zn+2],
,,,ZN:C:604,Part of Protein,,,,,[Zn+2],
,,,ZN:C:605,Part of Protein,,,,,[Zn+2],
,,,ZN:D:604,Part of Protein,,,,,[Zn+2],
,,,ZN:B:605,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,ZN:C:603,Part of Protein,,,,,[Zn+2],
,,,ZN:D:607,Part of Protein,,,,,[Zn+2],
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SI5:D:602,valid,ic50,=,13.9,uM,Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N,
,,,SI5:B:602,valid,ic50,=,13.9,uM,Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N,
,,,SI5:A:602,valid,ic50,=,13.9,uM,Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N,
,,,SI5:C:602,valid,ic50,=,13.9,uM,Cn1cc(cn1)[C@H]2C[C@H]3CSC(=N[C@]3(CO2)c4ccc(cc4F)F)N,
,Family. Representative Entry is ,2HI4,,,,,,,
,,,BHF:A:800,valid,Ki,=,25,nM,c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3G5N,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:C:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:D:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PB2:A:501,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:A:503,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:B:496,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:B:501,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:B:502,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:B:503,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:C:501,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:C:502,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:C:503,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:D:501,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:D:502,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,,PB2:D:503,valid,ic50,=,0.035,uM,c1ccc(cc1)c2ccc(cc2)Cn3ccnc3,
,,3TMZ,,,,,,,
,,,06X:A:503,valid,ic50,=,2,uM,CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN,
,,,06X:A:504,valid,ic50,=,2,uM,CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2BDM,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:506,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:507,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TMI:A:501,valid,ic50,=,0.9,uM,c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4,
,,,TMI:A:502,valid,ic50,=,0.9,uM,c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4,
,,,TMI:A:503,valid,ic50,=,0.9,uM,c1ccc(cc1)c2ccc(cc2)[C@H](c3ccccc3)n4ccnc4,
,,4JLT,,,,,,,
,,,PO4:A:512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8PR:A:505,valid,Kd,=,0.7,uM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MGJ,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CPZ:A:502,valid,,,,,c1cc(ccc1c2cnc[nH]2)Cl,
,,1SUO,,,,,,,
,,,CPZ:A:600,valid,ic50,=,0.04,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.4.2.-,,,,,,,,,
,Family. Representative Entry is ,3OZG,,,,,,,
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:B:232,Part of Protein,,,,,[Mg+2],
,,,MG:C:234,Part of Protein,,,,,[Mg+2],
,,,MG:D:234,Part of Protein,,,,,[Mg+2],
,,,POP:A:233,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:234,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:233,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:233,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SSI:A:232,valid,Ki,=,0.65,nM,c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO,
,,,SSI:B:233,valid,Ki,=,0.65,nM,c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO,
,,,SSI:C:232,valid,Ki,=,0.65,nM,c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO,
,,,SSI:D:232,valid,Ki,=,0.65,nM,c1c(c2c([nH]1)C(=O)NC=N2)CN[C@@H](CCP(=O)(O)O)CO,
,,3OZF,,,,,,,
,,,HPA:A:232,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:232,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:C:232,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:D:235,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,MG:A:235,Part of Protein,,,,,[Mg+2],
,,,MG:B:235,Part of Protein,,,,,[Mg+2],
,,,MG:C:235,Part of Protein,,,,,[Mg+2],
,,,MG:D:233,Part of Protein,,,,,[Mg+2],
,,,MG  POP:D:234,invalid,,,,,,
,,,PO4:A:234,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:234,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:234,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:232,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POP:A:233,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:233,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP MG:C:233,invalid,,,,,,
,,1CJB,,,,,,,
,,,IRP:A:300,valid,Kd,=,1,nM,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IRP:B:300,valid,Kd,=,1,nM,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IRP:C:300,valid,Kd,=,1,nM,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,IRP:D:300,valid,Kd,=,1,nM,c1c(c2c([nH]1)C(=O)NC=N2)[C@H]3[C@@H]([C@@H]([C@H](N3)COP(=O)(O)O)O)O,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:406,Part of Protein,,,,,[Mg+2],
,,,MG:D:405,Part of Protein,,,,,[Mg+2],
,,,MG:D:406,Part of Protein,,,,,[Mg+2],
,,,POP:A:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:400,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,6KAJ,,,,,,,
,,,BA:C:506,Part of Protein,,,,,[Ba+2],
,,,BA:A:506,Part of Protein,,,,,[Ba+2],
,,,BA:D:506,Part of Protein,,,,,[Ba+2],
,,,BA:B:506,Part of Protein,,,,,[Ba+2],
,,,CDP RB0:C:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:B:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:D:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:A:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6KAM,,,,,,,
,,,BA:C:506,Part of Protein,,,,,[Ba+2],
,,,BA:B:505,Part of Protein,,,,,[Ba+2],
,,,BA:A:506,Part of Protein,,,,,[Ba+2],
,,,BA:D:506,Part of Protein,,,,,[Ba+2],
,,,CDP RB0:C:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:D:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:B:503,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,CDP RB0:A:504,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-])(OCC(O)C(O)C(O)CO)[O-],
,,,NAG:D:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MAN NAG PO4 NGA PO4:E:1,valid,,,,,P(=O)(OCC1C(OC2C(NC(=O)C)C(OC3C(NC(=O)C)C(OP(=O)([O-])[O-])C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(O)C(O)O1)([O-])[O-],
,Family. Representative Entry is ,3D3H,,,,,,,
,,,M4O:A:1,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OC/C=C(/C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)N)O)O)O,
,Family. Representative Entry is ,1GZF,,,,,,,
,,,ADP:C:1253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NAD:A:1248,valid,Kd,=,60,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1252,valid,Kd,=,60,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NIR:C:1252,valid,,,,,C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O,
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C8H,,,,,,,
,,,NAD:A:1248,valid,Kd,=,75,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1250,valid,Kd,=,75,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C8A,,,,,,,
,,,NCA:A:1252,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1246,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:C:1252,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:D:1247,valid,,,,,c1cc(cnc1)C(=O)N,
,,,SO4:A:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C8F,,,,,,,
,,,NAD:E:1247,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2A9K,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2A78,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1OX5,,,,,,,
,,,1PR:A:991,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N,
,,,1PR:B:891,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NCNCC([C@@H]([C@@H](COP(=O)(O)O)O)O)O)C(=O)N,
,,,NI:A:902,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,6W65,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:C:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:308,invalid,,,,,C(COCCO)O,
,,,T9D:A:301,valid,,,,,c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F,
,,,T9D:C:301,valid,,,,,c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F,
,,,T9D:B:301,valid,,,,,c1cc2cn(cc2cc1OC3CCNCC3)C4=C(C(=O)NN=C4)C(F)(F)F,
,Family. Representative Entry is ,4FK7,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,P34:A:1001,valid,Kd,=,5.8,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,UNX:A:1003,invalid,,,,,*,
,,,UNX:A:1004,invalid,,,,,*,
,,,UNX:A:1005,invalid,,,,,*,
,,,UNX:A:1006,invalid,,,,,*,
,,,UNX:A:1007,invalid,,,,,*,
,,,UNX:A:1008,invalid,,,,,*,
,,,UNX:A:1009,invalid,,,,,*,
,,,UNX:A:1010,invalid,,,,,*,
,,,UNX:A:1011,invalid,,,,,*,
,,,UNX:A:1012,invalid,,,,,*,
,,,UNX:A:1013,invalid,,,,,*,
,,,UNX:A:1014,invalid,,,,,*,
,Family. Representative Entry is ,4FXQ,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,G9L:A:501,valid,Kd,=,1.7,uM,c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4,
,,,G9L:B:501,valid,Kd,=,1.7,uM,c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)C(=O)CCN4CCCCC4,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3BJE,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,R1P:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,URA:A:501,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:501,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,1XK9,,,,,,,
,,,P34:A:1001,valid,Ki,=,140,nM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,P34:B:2001,valid,Ki,=,140,nM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,1AER,,,,,,,
,,,AMP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,TAD:A:700,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TIA:B:700,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)c2nc(cs2)C(=O)N)O)O,
,,6EDG,,,,,,,
,,,P34:A:1001,valid,,,,,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,Family. Representative Entry is ,3PTY,,,,,,,
,,,AFO:A:1,valid,,,,,CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O,
,,,CA:A:1125,Part of Protein,,,,,[Ca+2],
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
2.1.2.8,,,,,,,,,
,Family. Representative Entry is ,1B5E,,,,,,,
,,,DCM:A:300,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:B:400,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,6L18,,,,,,,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,IOD:A:302,invalid,,,,,[I-],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1B5D,,,,,,,
,,,DCM:A:300,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:B:400,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
3.6.5.5,,,,,,,,,
,Family. Representative Entry is ,2X2E,,,,,,,
,,,GDP ALF:A:1744,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:D:1744,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:1746,Part of Protein,,,,,[Mg+2],
,,,MG:D:1746,Part of Protein,,,,,[Mg+2],
,,,NA:A:1747,Part of Protein,,,,,[Na+],
,,,NA:D:1747,Part of Protein,,,,,[Na+],
,,2X2F,,,,,,,
,,,GDP ALF:D:1746,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:A:1747,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:1749,Part of Protein,,,,,[Mg+2],
,,,MG:D:1748,Part of Protein,,,,,[Mg+2],
,,,NA:A:1750,Part of Protein,,,,,[Na+],
,,,NA:D:1749,Part of Protein,,,,,[Na+],
,,5D3Q,,,,,,,
,,,GDP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,3ZYC,,,,,,,
,,,GCP:A:1749,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:1749,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1750,Part of Protein,,,,,[Mg+2],
,,,MG:D:1750,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4H1V,,,,,,,
,,,GNP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4H1U,,,,,,,
,,,FLC:A:801,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,6JTG,,,,,,,
,,,GDP BEF:A:401,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
3.4.22.62,,,,,,,,,
,Family. Representative Entry is ,3D9T,,,,,,,
,,,ALA THR PRO PHE GLN GLU:C:1,valid,Kd,=,48,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(O)C)CCC1)Cc1ccccc1)CCC(=O)N)CCC(=O)[O-],
,,,ALA THR PRO PHE GLN GLU:D:1,valid,Kd,=,48,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(O)C)CCC1)Cc1ccccc1)CCC(=O)N)CCC(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,3D9U,,,,,,,
,,,ALA VAL PRO ILE ALA GLN:B:1,valid,Kd,=,85,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C)C)CCC(=O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
1.14.11.31,,,,,,,,,
,Family. Representative Entry is ,5O9W,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,NA:A:423,Part of Protein,,,,,[Na+],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,UNX:A:419,invalid,,,,,*,
,,,UNX:A:421,invalid,,,,,*,
,,,UNX:A:416,invalid,,,,,*,
,,,UNX:A:417,invalid,,,,,*,
,,,UNX:A:420,invalid,,,,,*,
,,,UNX:A:418,invalid,,,,,*,
,,,PEG:A:422,invalid,,,,,C(COCCO)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,5O7Y,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,PEG:A:421,invalid,,,,,C(COCCO)O,
,,,PEG:A:420,invalid,,,,,C(COCCO)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
11.-.-.-,,,,,,,,,
,Family. Representative Entry is ,5LY3,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2Q2Y,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MKR:A:604,valid,ic50,=,1.6,nM,CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F,
,,,MKR:B:605,valid,ic50,=,1.6,nM,CC(=O)C1=NN2c3cc(ccc3OC[C@H]2[C@@]1(CCCN4CCN(CC4)C(=O)C)c5ccccc5)F,
,,2UYM,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K03:A:604,valid,ic50,=,3.1,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C,
,,,K03:B:604,valid,ic50,=,3.1,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCC(C2)(C)C,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,3L9H,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EMQ:A:601,valid,ic50,=,8,nM,CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4,
,,,EMQ:B:602,valid,ic50,=,8,nM,CN(C)CCNC(=O)NC[C@H]1CC[C@H]2[C@@H](Nc3ccc(cc3[C@H]2O1)C(F)(F)F)c4ccccc4,
,,1Q0B,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,NAT:A:604,valid,ic50,=,6.7,uM,CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C,
,,,NAT:B:605,valid,ic50,=,6.7,uM,CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C,
,,2FME,,,,,,,
,,,3QC:A:370,valid,ic50,=,104,nM,Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C,
,,,3QC:B:370,valid,ic50,=,104,nM,Cc1ccc2c(c1C)CN(C[C@@H]2c3cccc(c3)O)C(=O)N(C)C,
,,,ADP:A:371,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:371,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:369,Part of Protein,,,,,[Mg+2],
,,,MG:B:369,Part of Protein,,,,,[Mg+2],
,,2FL6,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,N5T:A:604,valid,ic50,=,38,nM,CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F,
,,,N5T:B:605,valid,ic50,=,38,nM,CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F,
,,4B7B,,,,,,,
,,,CO:A:1383,invalid,,,,,[Co+2],
,,,CO:A:1387,invalid,,,,,[Co+2],
,,,CO:A:1385,Part of Protein,,,,,[Co+2],
,,,CO:A:1384,Part of Protein,,,,,[Co+2],
,,,CO:A:1386,Part of Protein,,,,,[Co+2],
,,,CL:A:1377,invalid,,,,,[Cl-],
,,,CL:A:1374,invalid,,,,,[Cl-],
,,,CL:A:1379,invalid,,,,,[Cl-],
,,,CL:A:1380,invalid,,,,,[Cl-],
,,,CL:A:1375,invalid,,,,,[Cl-],
,,,CL:A:1391,invalid,,,,,[Cl-],
,,,CL:A:1378,invalid,,,,,[Cl-],
,,,CL:A:1382,invalid,,,,,[Cl-],
,,,CL:A:1376,invalid,,,,,[Cl-],
,,,CL:A:1381,invalid,,,,,[Cl-],
,,,CD:A:1373,invalid,,,,,[Cd+2],
,,,CD:A:1369,invalid,,,,,[Cd+2],
,,,CD:A:1371,invalid,,,,,[Cd+2],
,,,CD:A:1390,invalid,,,,,[Cd+2],
,,,CD:A:1367,invalid,,,,,[Cd+2],
,,,CD:A:1366,invalid,,,,,[Cd+2],
,,,CD:A:1370,invalid,,,,,[Cd+2],
,,,CD:A:1368,invalid,,,,,[Cd+2],
,,,CD:A:1372,invalid,,,,,[Cd+2],
,,,CD:A:1389,invalid,,,,,[Cd+2],
,,,CD:A:1365,invalid,,,,,[Cd+2],
,,,ADP:A:1364,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1388,invalid,,,,,[Ca+2],
,,2X2R,,,,,,,
,,,ADP:A:1366,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1366,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1366,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:B:1368,Part of Protein,,,,,[Mg+2],
,,,MG:C:1368,Part of Protein,,,,,[Mg+2],
,,,X2O:A:1367,valid,Ki,=,76.2,nM,CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N,
,,,X2O:B:1367,valid,Ki,=,76.2,nM,CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N,
,,,X2O:C:1367,valid,Ki,=,76.2,nM,CC[C@@H](C)C(c1ccccc1)(c2ccccc2)SC[C@@H](C(=O)O)N,
,,3CJO,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K30:A:1,valid,ic50,=,2.2,nM,C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F,
,,,K30:B:603,valid,ic50,=,2.2,nM,C[N@]1CC[C@@H]([C@@H](C1)F)N(C)C(=O)N2CC(=C[C@@]2(CO)c3ccccc3)c4cc(ccc4F)F,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,2FKY,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,N2T:A:604,valid,ic50,=,2.6,nM,CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F,
,,,N2T:B:605,valid,ic50,=,2.6,nM,CN(C1CCNCC1)C(=O)N2CC(=C[C@H]2c3ccccc3)c4cc(ccc4F)F,
,,2WOG,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,ZZD:A:1365,valid,,,,,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N,
,,,ZZD:B:1365,valid,,,,,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N,
,,,ZZD:C:1364,valid,,,,,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N,
,,2PG2,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K01:A:604,valid,ic50,=,1.7,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2,
,,,K01:B:604,valid,ic50,=,1.7,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CCCC2,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,2X7D,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EGB:A:1369,valid,ic50,=,200,nM,CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C,
,,,EGB:B:1369,valid,ic50,=,200,nM,CC1(CC2=C([C@@H](NC(=S)N2)c3cccc(c3)O)C(=O)C1)C,
,,,MG:A:1367,Part of Protein,,,,,[Mg+2],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:B:1367,Part of Protein,,,,,[Mg+2],
,,,MG:B:1368,Part of Protein,,,,,[Mg+2],
,,3HQD,,,,,,,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,PO4:A:562,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1II6,,,,,,,
,,,ADP:A:2601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2603,Part of Protein,,,,,[Mg+2],
,,,MG:B:2602,Part of Protein,,,,,[Mg+2],
,,,NO3:A:2000,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:2001,invalid,,,,,[N+](=O)([O-])[O-],
,,1YRS,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,L47:A:604,valid,ic50,=,450,nM,CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O,
,,,L47:B:603,valid,ic50,=,450,nM,CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3cccc(c3)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,2X7C,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,KZ9:A:1365,valid,ic50,=,2,uM,c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2,
,,,KZ9:B:1367,valid,ic50,=,2,uM,c1cc(cc(c1)O)[C@H]2C3=C(CCCC3=O)NC(=S)N2,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,2GM1,,,,,,,
,,,2AZ:A:371,valid,ic50,=,0.1,uM,Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl,
,,,2AZ:B:371,valid,ic50,=,0.1,uM,Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl,
,,,2AZ:D:371,valid,ic50,=,0.1,uM,Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl,
,,,2AZ:E:371,valid,ic50,=,0.1,uM,Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl,
,,,ADP:A:372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:369,Part of Protein,,,,,[Mg+2],
,,,MG:A:370,Part of Protein,,,,,[Mg+2],
,,,MG:B:369,Part of Protein,,,,,[Mg+2],
,,,MG:B:370,Part of Protein,,,,,[Mg+2],
,,,MG:D:369,Part of Protein,,,,,[Mg+2],
,,,MG:D:370,Part of Protein,,,,,[Mg+2],
,,,MG:E:369,Part of Protein,,,,,[Mg+2],
,,,MG:E:370,Part of Protein,,,,,[Mg+2],
,,3KEN,,,,,,,
,,,ADP:A:1452,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,KEN:A:371,invalid,,,,,CN(C)C,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,ZZD:A:370,valid,,,,,c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H](C(=O)O)N,
,,2UYI,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K02:A:604,valid,ic50,=,0.48,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C,
,,,K02:B:604,valid,ic50,=,0.48,uM,CCN(CC)C(=O)c1c2c(sc1NC(=O)c3cccs3)CC[C@H](C2)C,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,2X7E,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,X7E:A:1365,valid,,,,,CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O,
,,,X7E:B:1365,valid,,,,,CC1=C([C@H](NC(=S)N1C)c2cccc(c2)O)[C@H](c3ccc(c(c3)F)F)O,
,,4AS7,,,,,,,
,,,CL:A:1367,invalid,,,,,[Cl-],
,,,CL:A:1366,invalid,,,,,[Cl-],
,,,CL:A:1376,invalid,,,,,[Cl-],
,,,CL:A:1365,invalid,,,,,[Cl-],
,,,6LX:A:1375,valid,ic50,=,484,nM,Cc1ccc(cc1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)c3ccc(cc3O2)Cl)Cc4ccccc4)C(C)C,
,,,CD:A:1373,invalid,,,,,[Cd+2],
,,,CD:A:1369,invalid,,,,,[Cd+2],
,,,CD:A:1371,invalid,,,,,[Cd+2],
,,,CD:A:1370,invalid,,,,,[Cd+2],
,,,CD:A:1374,invalid,,,,,[Cd+2],
,,,CD:A:1372,invalid,,,,,[Cd+2],
,,,CO:A:1368,invalid,,,,,[Co+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6G6Y,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,ic50,=,0.74,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EOK:A:403,valid,Kd,=,220,nM,CC(=O)/N=C1/NN([C@](S1)(C)c2ccccc2)C(=O)C,
,,3K3B,,,,,,,
,,,ADP:A:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:371,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:373,invalid,,,,,[Cl-],
,,,L31:A:371,valid,ic50,=,0.2,uM,Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O,
,,,L31:B:372,valid,ic50,=,0.2,uM,Cc1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)C(=O)C)c4cccc(c4)O,
,,,MG:A:369,Part of Protein,,,,,[Mg+2],
,,,MG:B:370,Part of Protein,,,,,[Mg+2],
,,,NO3:A:372,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:369,invalid,,,,,[N+](=O)([O-])[O-],
,,,PEG:A:374,invalid,,,,,C(COCCO)O,
,,2FL2,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,N4T:A:604,valid,ic50,=,2,nM,c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F,
,,,N4T:B:605,valid,ic50,=,2,nM,c1ccc(cc1)[C@@H]2C=C(CN2C(=O)[C@H](C3CC3)N)c4cc(ccc4F)F,
,,3ZCW,,,,,,,
,,,MG:A:1365,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1369,invalid,,,,,C(COCCO)O,
,,,EPE:A:1368,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,4A2:A:1366,valid,Kd,=,0.65,uM,COc1ccc(cc1F)/N=C/2Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O,
,,,4A2:A:1367,valid,Kd,=,0.65,uM,COc1ccc(cc1F)/N=C/2Nc3cc(ccc3N2Cc4ccccc4C(F)(F)F)C(=O)O,
,,,ADP:A:1364,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2NCD,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3U06,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5,invalid,,,,,C(C(CO)O)O,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,1N6M,,,,,,,
,,,ADP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:996,Part of Protein,,,,,[Mg+2],
,,,MG:B:997,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4B1V,,,,,,,
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1378,invalid,,,,,[Mg+2],
,,,MG:B:1378,invalid,,,,,[Mg+2],
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,EDO:B:1502,invalid,,,,,C(CO)O,
,,,EDO:B:1503,invalid,,,,,C(CO)O,
,,,EDO:B:1504,invalid,,,,,C(CO)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,LAB:A:1500,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,LAB:B:1500,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,4B1U,,,,,,,
,,,TRS:B:1379,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:B:1378,invalid,,,,,[Mg+2],
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:M:1163,Part of Protein,,,,,[Ca+2],
,,,LAB:B:1376,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,Family. Representative Entry is ,3CIP,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:203,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NMD,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:402,Part of Protein,,,,,[Ca+2],
,,,SO2:A:403,invalid,,,,,O=S=O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ESV,,,,,,,
,,,ATP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:385,Part of Protein,,,,,[Ca+2],
,,,CA:S:390,Part of Protein,,,,,[Ca+2],
,,,CA:S:395,Part of Protein,,,,,[Ca+2],
,,,LAR:A:401,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,1EQY,,,,,,,
,,,ATP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:385,Part of Protein,,,,,[Ca+2],
,,,CA:S:390,Part of Protein,,,,,[Ca+2],
,,,CA:S:395,Part of Protein,,,,,[Ca+2],
,,1MDU,,,,,,,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,TRS:A:472,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1C0G,,,,,,,
,,,ATP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,1NLV,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:G:402,Part of Protein,,,,,[Ca+2],
,,,SO2:A:404,invalid,,,,,O=S=O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CI5,,,,,,,
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:404,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3A5L,,,,,,,
,,,ADP:C:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,,MG:C:376,invalid,,,,,[Mg+2],
,,3A5M,,,,,,,
,,,ATP:C:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,,MG:C:377,invalid,,,,,[Mg+2],
,,1D4X,,,,,,,
,,,ATP:A:676,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:681,Part of Protein,,,,,[Ca+2],
,,,MG:A:680,invalid,,,,,[Mg+2],
,,,SO2:A:684,invalid,,,,,O=S=O,
,,,SO4:A:682,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DEJ,,,,,,,
,,,ATP:A:1376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,3A5O,,,,,,,
,,,ATP:C:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:C:377,Part of Protein,,,,,[Ca+2],
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,1NM1,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:402,Part of Protein,,,,,[Ca+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,SO2:A:404,invalid,,,,,O=S=O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C0F,,,,,,,
,,,ATP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,,3A5N,,,,,,,
,,,ATP:C:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:C:377,Part of Protein,,,,,[Ca+2],
,,,CA:S:128,Part of Protein,,,,,[Ca+2],
,,,CA:S:129,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4B1X,,,,,,,
,,,MG:B:1378,invalid,,,,,[Mg+2],
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAB:B:1376,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,Family. Representative Entry is ,1KXP,,,,,,,
,,,ATP:A:390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:395,invalid,,,,,[Mg+2],
,,1MA9,,,,,,,
,,,ATP:B:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:376,invalid,,,,,[Mg+2],
,,1LOT,,,,,,,
,,,ATP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:B:550,invalid,,,,,[Ca+2],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:630,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:640,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:650,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1W7J,,,,,,,
,,,ADP BEF:A:1794,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,MG:A:1793,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1JXM,,,,,,,
,,,5GP:A:101,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GAI:A:201,invalid,,,,,C(=N)(N)N,
,,,GAI:A:202,invalid,,,,,C(=N)(N)N,
,,,MPD:A:102,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:103,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6A9C,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LYS VAL ALA PRO PRO ILE PRO HIS ARG:E:33,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc4nc[nH]c4)CCC3)C(CC)C)CCC2)CCC1)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C,
,Family. Representative Entry is ,3MN6,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:K:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,invalid,,,,,[Ca+2],
,,,CA:F:901,invalid,,,,,[Ca+2],
,,,CA:K:901,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,2FXU,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BID:A:402,valid,Kd,=,7,nM,CC=CC(=O)C[C@H]1CC[C@@H]([C@@H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C@H](C)C=C(/C)[C@H](C)O)C)O)C,
,,,CA:A:376,Part of Protein,,,,,[Ca+2],
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:A:378,Part of Protein,,,,,[Ca+2],
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,1WUA,,,,,,,
,,,AP8:A:1400,valid,,,,,C[C@@H]1CC[C@@H](/C(=C/C[C@H](C[C@H](C=CC[C@H](OC(=O)C=CC=CC[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)C=CN(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1360,invalid,,,,,[Ca+2],
,,2GWJ,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1401,invalid,,,,,[Ca+2],
,,1NWK,,,,,,,
,,,ANP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:382,Part of Protein,,,,,[Ca+2],
,,,CA:A:383,Part of Protein,,,,,[Ca+2],
,,,CA:A:384,Part of Protein,,,,,[Ca+2],
,,,CA:A:385,Part of Protein,,,,,[Ca+2],
,,,RHO:A:1381,valid,,,,,CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C,
,,2Q0R,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,PXT:A:500,valid,,,,,C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8C=CC(=C1)C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C,
,,3EKS,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CY9:A:903,valid,,,,,C[C@H]1CC=C[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](C=C[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O,
,,1S22,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,invalid,,,,,[Ca+2],
,,,EDO:A:600,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,ULA:A:500,valid,,,,,C[C@H]1CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H](CC=Cc2nc(co2)-c3nc(co3)-c4nc1co4)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O,
,,2HMP,,,,,,,
,,,211:A:6601,invalid,,,,,C(CO)N(CCO)CCO,
,,,211:B:6600,invalid,,,,,C(CO)N(CCO)CCO,
,,,ATP:A:5381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:5382,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:5500,invalid,,,,,C(CO)O,
,,,EDO:A:5501,invalid,,,,,C(CO)O,
,,,EDO:A:5502,invalid,,,,,C(CO)O,
,,,EDO:A:5503,invalid,,,,,C(CO)O,
,,,EDO:A:5504,invalid,,,,,C(CO)O,
,,,EDO:A:5506,invalid,,,,,C(CO)O,
,,,EDO:A:5508,invalid,,,,,C(CO)O,
,,,EDO:B:5505,invalid,,,,,C(CO)O,
,,,EDO:B:5507,invalid,,,,,C(CO)O,
,,,SPD:A:5400,invalid,,,,,C(CCNCCCN)CN,
,,,SR:A:1391,invalid,,,,,[Sr+2],
,,,SR:A:2001,invalid,,,,,[Sr+2],
,,,SR:A:2002,invalid,,,,,[Sr+2],
,,,SR:B:1392,invalid,,,,,[Sr+2],
,,,SR:B:2003,invalid,,,,,[Sr+2],
,,,SR:B:2004,invalid,,,,,[Sr+2],
,,,SR:B:2005,invalid,,,,,[Sr+2],
,,1QZ5,,,,,,,
,,,ATP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:376,invalid,,,,,[Ca+2],
,,,KAB:A:500,valid,,,,,C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)C=CN(C)CO)OC)OC)O[C@H](N)O,
,,1RDW,,,,,,,
,,,ATP:X:390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAR:X:391,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,MG:X:392,invalid,,,,,[Mg+2],
,,,MG:X:393,invalid,,,,,[Mg+2],
,,2Q0U,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,LAB:A:401,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,PXT:A:500,valid,,,,,C[C@@H]/1C[C@]2(CC[C@@H](O2)[C@]34CC[C@](O3)(CC(O4)[C@@H]5C(=O)C[C@@](O5)([C@H]([C@@H]6CC[C@]7(O6)CCC[C@H](O7)[C@H](C(=O)O[C@@H]8C[C@H](O[C@@H]8C=CC(=C1)C)[C@@]9(C(=C(CCO9)C)O)O)C)O)C)C)C,
,,2HF3,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,1QZ6,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:601,invalid,,,,,[Ca+2],
,,,JAS:A:500,valid,,,,,C[C@@H]1CCC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)[C@H]([C@H](C(=O)C[C@H](C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC=CN(C)CO)OC)OC)O)O)C)OC,
,,,GLC FRU:B:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3EKU,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CY9:A:903,valid,,,,,C[C@H]1CC=C[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](C=C[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O,
,,6QRI,,,,,,,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CV9:A:403,valid,,,,,C[C@H]1/C=CC=CC=C[C@H](C[C@H]([C@H](c2nc(co2)/C=CC=C[C@@H]([C@@H](/C=C(/C=CC=CC=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O,
,,,CV9:B:403,valid,,,,,C[C@H]1/C=CC=CC=C[C@H](C[C@H]([C@H](c2nc(co2)/C=CC=C[C@@H]([C@@H](/C=C(/C=CC=CC=C/C(=O)O[C@H]1[C@@H](C)[C@H](C[C@H](C)O)O)C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)OC)OC)C)OC)O,
,,2ASO,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,invalid,,,,,[Ca+2],
,,,SPX:A:500,valid,,,,,C[C@H]1C=C[C@H](C[C@@H]([C@H]([C@H]2[C@H](C(=CC(=O)O2)C[C@@H](C/C(=C/C=CC(=O)O[C@@H]([C@H](C=C[C@@H](C[C@@H]1O)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC=CN(C)C=O)OC)OC)/C)OC)O)C)OC)OC,
,,2HF4,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,2A5X,,,,,,,
,,,ANP:A:378,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:376,Part of Protein,,,,,[Ca+2],
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,LAR:A:379,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,MPD:A:381,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:382,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NSB:A:380,valid,,,,,C[N+](C)(C)CCCS(=O)(=O)O,
,,3EL2,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,1YXQ,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:9001,invalid,,,,,C(CO)O,
,,,EDO:B:9002,invalid,,,,,C(CO)O,
,,,MG:A:1390,Part of Protein,,,,,[Mg+2],
,,,MG:A:5001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2390,Part of Protein,,,,,[Mg+2],
,,,SWI:B:600,valid,,,,,C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]3CC=C[C@H](O3)C[C@H](CC=C(C=CC(=O)O[C@@H]([C@H]([C@@H](C[C@@H]([C@@H]([C@H](C[C@@H]4CC=C[C@H](O4)C[C@@H](CC=C(C=CC(=O)O2)C)O)OC)C)O)O)C)[C@@H](C)[C@H]([C@H](C)CC[C@H]5C[C@@H](C[C@@H](O5)C)OC)O)/C)O)OC)C)O)O)C)O)OC,
,,2ASP,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,RGC:A:500,valid,,,,,C[C@H]1C=C[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](C=C[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC)/C)OC)C)OC)OC,
,,4K41,,,,,,,
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,KAB:A:404,valid,,,,,C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)C=CN(C)CO)OC)OC)O[C@H](N)O,
,,,MES:A:405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2Q36,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,KAB:A:402,valid,,,,,C[C@H]1C[C@@H](CC(=O)O[C@H]([C@@H]([C@H](CC=Cc2nc(co2)-c3nc(co3)-c4nc(co4)[C@@H]([C@H]([C@H](C1)O)C)OC)OC)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)C=CN(C)CO)OC)OC)O[C@H](N)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M6G,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:372,Part of Protein,,,,,[Ca+2],
,,,CA:A:373,Part of Protein,,,,,[Ca+2],
,,,CA:B:372,Part of Protein,,,,,[Ca+2],
,,,CA:B:373,Part of Protein,,,,,[Ca+2],
,,,LO3:A:600,valid,,,,,C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)C)O)OC)OC)OC)OC)C)O)OC,
,,,LO3:B:600,valid,,,,,C[C@H]1C[C@H](C[C@@H](O1)CC[C@H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)C)O)OC)OC)OC)OC)C)O)OC,
,,,MG:A:1390,invalid,,,,,[Mg+2],
,,,MG:B:2390,invalid,,,,,[Mg+2],
,,2ASM,,,,,,,
,,,ATP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,RGA:A:500,valid,,,,,C[C@H]1/C=C/[C@H](C[C@@H]([C@H]([C@H]2CC(=CC(=O)O2)C[C@@H](C/C(=C/C=C/C(=O)O[C@@H]([C@H](/C=C/[C@@H](C[C@@H]1OC)OC)C)[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC)/C)OC)C)OC)OC,
,,2GWK,,,,,,,
,,,ATP:A:1402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1401,invalid,,,,,[Ca+2],
,,,CA:B:1501,invalid,,,,,[Ca+2],
,,2VYP,,,,,,,
,,,ATP:A:1375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1376,Part of Protein,,,,,[Ca+2],
,,,CA:B:1376,Part of Protein,,,,,[Ca+2],
,,,CA:B:1378,Part of Protein,,,,,[Ca+2],
,,,CA:B:1379,Part of Protein,,,,,[Ca+2],
,,,HEZ:A:1378,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:1379,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:1380,invalid,,,,,C(CCCO)CCO,
,,,RH9:A:1377,valid,,,,,C[C@@H](CCC(=O)[C@H](C)[C@@H](CC=CN(C)C=O)OC)[C@H](C[C@H]1C([C@H](Cc2nc(co2)[C@H](CC=CC=C[C@@H](C[C@@H](CC(=O)O[C@H](C([C@H](Cc3nc(co3)[C@H](CC=CC=C[C@@H](C[C@@H](CC(=O)O1)O)OC)OC)O)(C)C)C[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC=CN(C)C=O)OC)OC)O)OC)OC)O)(C)C)OC,
,,1J6Z,,,,,,,
,,,ADP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:382,Part of Protein,,,,,[Ca+2],
,,,CA:A:383,Part of Protein,,,,,[Ca+2],
,,,CA:A:384,Part of Protein,,,,,[Ca+2],
,,,CA:A:385,Part of Protein,,,,,[Ca+2],
,,,CA:A:386,Part of Protein,,,,,[Ca+2],
,,,CA:A:387,Part of Protein,,,,,[Ca+2],
,,,RHO:A:1381,valid,,,,,CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C,
,Family. Representative Entry is ,1B7T,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:Z:501,Part of Protein,,,,,[Ca+2],
,,,MG:A:836,Part of Protein,,,,,[Mg+2],
,,,MG:Y:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1KK8,,,,,,,
,,,BEF ADP:A:995,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,CA:C:999,Part of Protein,,,,,[Ca+2],
,,,GOL:A:998,invalid,,,,,C(C(CO)O)O,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:B:998,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1V8K,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4PKG,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:1201,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,4PKH,,,,,,,
,,,CA:J:1201,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,invalid,,,,,[Ca+2],
,,,CA:F:403,Part of Protein,,,,,[Ca+2],
,,,CA:I:402,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:I:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:1201,Part of Protein,,,,,[Ca+2],
,,,CA:G:1201,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:D:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:1201,Part of Protein,,,,,[Ca+2],
,,,CA:F:402,Part of Protein,,,,,[Ca+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2XT3,,,,,,,
,,,ADP:A:1345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1346,Part of Protein,,,,,[Mg+2],
,,4A14,,,,,,,
,,,ADP:A:1345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1346,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6I4M,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,SCN:A:403,invalid,,,,,C(#N)[S-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,4CBX,,,,,,,
,,,NA:A:1377,Part of Protein,,,,,[Na+],
,,,SO4:A:1375,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1376,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:G:1152,Part of Protein,,,,,[Ca+2],
,,,CA:A:1378,invalid,,,,,[Ca+2],
,,,CA:G:1151,Part of Protein,,,,,[Ca+2],
,,,PO4:G:1150,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:A:1374,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4PL8,,,,,,,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,4ZG4,,,,,,,
,,,MG:E:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,VO4 ADP:E:802,valid,,,,,[V-3](OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(O)(O)(O)O,
,,,VO4 ADP:B:802,valid,,,,,[V-3](OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(O)(O)(O)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,5HMP,,,,,,,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,VO4 ADP:A:802,valid,,,,,[V-3](OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(O)(O)(O)O,
,,,VO4 ADP:B:802,valid,,,,,[V-3](OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(O)(O)(O)O,
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3U9Z,,,,,,,
,,,ADP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:377,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2HL3,,,,,,,
,,,GLU GLU GLN GLU GLU TYR:C:266,valid,Kd,=,0.17,uM,O=C([O-])C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CCC(=O)[O-])Cc1ccc(O)cc1,
,Family. Representative Entry is ,5YPU,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:D:101,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,invalid,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5N69,,,,,,,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,2OW:A:904,valid,Kd,=,0.29,uM,Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC,
,,,2OW:B:904,valid,Kd,=,0.29,uM,Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC,
,,,VO4:A:902,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,VO4:B:902,invalid,,,,,[O-][V](=O)([O-])[O-],
,,,TCE:B:914,invalid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,4Z94,,,,,,,
,,,CA:G:2000,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6RCF,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,K0K:A:201,valid,Kd,=,0.32,uM,CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)O)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4,
,,1EVH,,,,,,,
,,,ACE PHE PRO PRO PRO PRO THR:B:1000,valid,Kd,=,602,uM,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)Cc1ccccc1)C,
,,7A5M,,,,,,,
,,,ACY 2L5 2L6 R0E MOH:C:1,valid,Kd,=,0.53,uM,Clc1c(CC(NC(=O)C)C(=O)N2C3(C(=O)N4C(C(=O)N5C6C(=O)N(CC(=O)OC)C(CC(C)C)C=CC6CC5)CCC4C=C3)CCC2)cccc1,
,,,ACY 2L5 2L6 R0E MOH:B:1,valid,Kd,=,0.53,uM,Clc1c(CC(NC(=O)C)C(=O)N2C3(C(=O)N4C(C(=O)N5C6C(=O)N(CC(=O)OC)C(CC(C)C)C=CC6CC5)CCC4C=C3)CCC2)cccc1,
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,6RD2,,,,,,,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,THR GLU ASP GLU NLW K1N:C:1,valid,Kd,=,0.33,uM,Clc1c(CC(NC(=O)C)C(=O)N2C3(C(=O)N4C(C(=O)N5C6C(=O)N7C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C(O)C)CCC7C=CC6CC5)CCC4C=C3)CCC2)cccc1,
,,,THR GLU ASP GLU NLW K1N:D:1,valid,Kd,=,0.33,uM,Clc1c(CC(NC(=O)C)C(=O)N2C3(C(=O)N4C(C(=O)N5C6C(=O)N7C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C(O)C)CCC7C=CC6CC5)CCC4C=C3)CCC2)cccc1,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,5NBX,,,,,,,
,,,PRO 2L5 ACY PRO 8SN:B:202,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C=O)CCC2)cccc1.O=C([O-])C1N2C(=O)C3N(C(=O)C4[NH2+]CCC4)CCC3C=CC2C(C)C1,
,,,PRO 2L5 ACY PRO 8SN:A:203,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C=O)CCC2)cccc1.O=C([O-])C1N2C(=O)C3N(C(=O)C4[NH2+]CCC4)CCC3C=CC2C(C)C1,
,,,BR:A:201,invalid,,,,,[Br-],
,,5N9C,,,,,,,
,,,ACE 2L5 PRO PRO 92B:G:1,valid,Kd,=,14.1,uM,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)[O-])CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 92B:F:1,valid,Kd,=,14.1,uM,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)[O-])CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 92B:H:1,valid,Kd,=,14.1,uM,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)[O-])CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 92B:M:1,valid,Kd,=,14.1,uM,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)[O-])CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6RCJ,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,K0H:A:201,valid,Kd,=,0.47,uM,CC[C@@H]1C=C[C@H]2CCN([C@@H]2C(=O)N1CC(=O)OC)C(=O)[C@@H]3CC[C@@H]4N3C(=O)[C@@]5(CCCN5C(=O)[C@H](Cc6ccccc6Cl)NC(=O)C)C=C4,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,7AKI,,,,,,,
,,,RJQ:A:202,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6,
,,,RJQ:A:203,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)N)C=C6,
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,5NCG,,,,,,,
,,,8TB:B:201,valid,,,,,C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O,
,,,8TB:A:202,valid,,,,,C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O,
,,,8TB:B:202,valid,,,,,C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O,
,,,8TB:A:201,valid,,,,,C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O,
,,,8TB:A:203,valid,,,,,C[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)O,
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,5NEG,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,8VK:A:201,valid,,,,,CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC,
,,,8VK:B:201,valid,,,,,CC[C@@H]1C[C@H](N2[C@H]1C=C[C@H]3CCN([C@@H]3C2=O)C(=O)[C@@H]4CC[C@@H]5N4C(=O)[C@@]6(CCCN6C(=O)[C@H](Cc7ccccc7Cl)NC(=O)C)C=C5)C(=O)OCC,
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ND0,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,ACE 2L5 PRO PRO 8TQ THR GLU ASP GLU NLW:F:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C(O)C)CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 8TQ THR GLU ASP GLU NLW:C:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C(O)C)CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6XXR,,,,,,,
,,,NO3:B:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,ACY 2L5 PRO PRO PRO PRO 2TL:G:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C(C(=O)N5C(C(=O)NC(C=O)C(O)C)CCC5)CCC4)CCC3)CCC2)cccc1,
,,,ACY 2L5 PRO PRO PRO PRO 2TL:F:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C(C(=O)N5C(C(=O)NC(C=O)C(O)C)CCC5)CCC4)CCC3)CCC2)cccc1,
,,5NCF,,,,,,,
,,,NO3:B:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,8T5:B:204,valid,Kd,=,10,uM,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6,
,,,8T5:A:201,valid,Kd,=,10,uM,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CCC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@H]7C(=O)O)C=C6,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6XVT,,,,,,,
,,,ACY 2L5 PRO PRO PRO PRO NME:G:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C(C(=O)N5C(C(=O)NC)CCC5)CCC4)CCC3)CCC2)cccc1,
,,,ACY 2L5 PRO PRO PRO PRO NME:H:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C(C(=O)N5C(C(=O)NC)CCC5)CCC4)CCC3)CCC2)cccc1,
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5N9P,,,,,,,
,,,ACE 2L5 PRO PRO 92B NH2:D:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)N)CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 92B NH2:E:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)N)CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,ACE 2L5 PRO PRO 92B NH2:C:1,valid,,,,,Clc1c(CC(NC(=O)C)C(=O)N2C(C(=O)N3C(C(=O)N4C5C(=O)N6C(C(=O)N)CCC6C=CC5CC4)CCC3)CCC2)cccc1,
,,,CL:B:201,invalid,,,,,[Cl-],
,,5NDU,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8V2:A:201,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6,
,,,8V2:B:201,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)OC)C=C6,
,,5NCP,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EG5:A:201,valid,,,,,CC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)N2CCC[C@]23C=C[C@@H]4CC[C@H](N4C3=O)C(=O)N5CC[C@H]6[C@H]5C(=O)N7[C@H](CC[C@@H]7C(=O)O)C=C6,
,Family. Representative Entry is ,4PFO,,,,,,,
,,,GOL:A:816,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4PFP,,,,,,,
,,,PO4:A:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:C:803,Part of Protein,,,,,[Mg+2],
,,,ADP:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PGO:A:803,invalid,,,,,C[C@@H](CO)O,
,,5O2L,,,,,,,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:A:801,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,4PJN,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,ADP:A:804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2V26,,,,,,,
,,,ADP:A:1789,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:1792,invalid,,,,,C(CO)O,
,,,EDO:A:1793,invalid,,,,,C(CO)O,
,,,EDO:A:1794,invalid,,,,,C(CO)O,
,,,EDO:A:1795,invalid,,,,,C(CO)O,
,,,EDO:A:1796,invalid,,,,,C(CO)O,
,,,EDO:A:1797,invalid,,,,,C(CO)O,
,,,EDO:A:1798,invalid,,,,,C(CO)O,
,,,MG:A:1801,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1799,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VO4:A:1791,invalid,,,,,[O-][V](=O)([O-])[O-],
,,4PJM,,,,,,,
,,,IPA:A:808,invalid,,,,,CC(C)O,
,,,IPA:A:807,invalid,,,,,CC(C)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,4PJL,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2VVG,,,,,,,
,,,ADP:A:1351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1352,Part of Protein,,,,,[Mg+2],
,,,MG:B:1352,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6I4E,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,BME:A:407,invalid,,,,,C(CS)O,
,,,BME:A:406,invalid,,,,,C(CS)O,
,,,SCN:A:405,invalid,,,,,C(#N)[S-],
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BTB:A:408,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,PEG:G:202,invalid,,,,,C(COCCO)O,
,,6I4K,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,BME:G:204,invalid,,,,,C(CS)O,
,,,BTB:A:404,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,SCN:G:203,invalid,,,,,C(#N)[S-],
,,,SCN:A:403,invalid,,,,,C(#N)[S-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6I4F,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,BTB:A:405,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6I4L,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,SCN:G:203,invalid,,,,,C(#N)[S-],
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CBW,,,,,,,
,,,CA:G:1150,Part of Protein,,,,,[Ca+2],
,,,CA:G:1151,Part of Protein,,,,,[Ca+2],
,,,CA:A:1377,invalid,,,,,[Ca+2],
,,,ATP:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DIO:A:1378,invalid,,,,,C1COCCO1,
,,5MVV,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SCN:A:402,invalid,,,,,C(#N)[S-],
,,4CBU,,,,,,,
,,,CA:G:1150,Part of Protein,,,,,[Ca+2],
,,,CA:G:1151,Part of Protein,,,,,[Ca+2],
,,,CA:A:1370,invalid,,,,,[Ca+2],
,,,ATP:A:1369,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6I4G,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,,,BME:G:203,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:H:203,invalid,,,,,C(CS)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,SCN:G:204,invalid,,,,,C(#N)[S-],
,,6I4J,,,,,,,
,,,BTB:A:406,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,K:A:407,Part of Protein,,,,,[K+],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,SCN:A:405,invalid,,,,,C(#N)[S-],
,,,SCN:G:204,invalid,,,,,C(#N)[S-],
,,,SCN:G:203,invalid,,,,,C(#N)[S-],
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,SCN:A:403,invalid,,,,,C(#N)[S-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6I4D,,,,,,,
,,,BTB:A:406,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,SCN:A:405,invalid,,,,,C(#N)[S-],
,,,SCN:G:202,invalid,,,,,C(#N)[S-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:407,invalid,,,,,[Cl-],
,,6I4H,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:403,invalid,,,,,[Cl-],
,,6I4I,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,ADP AF3:A:401,valid,,,,,,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,SCN:A:405,invalid,,,,,C(#N)[S-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:A:406,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,5YEE,,,,,,,
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,LAB:B:401,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2PAV,,,,,,,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:601,invalid,,,,,[Ca+2],
,,3CHW,,,,,,,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:401,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,2PBD,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1002,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,1J78,,,,,,,
,,,OLA:A:459,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:459,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:460,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,VDY:B:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,Family. Representative Entry is ,3MN7,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,1F9V,,,,,,,
,,,ADP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,1F9W,,,,,,,
,,,ADP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:996,Part of Protein,,,,,[Mg+2],
,,,MG:B:997,Part of Protein,,,,,[Mg+2],
,,3KAR,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,1F9T,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,1F9U,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3U4L,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,3UB5,,,,,,,
,,,ATP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:A:378,Part of Protein,,,,,[Ca+2],
,,,CL:P:141,invalid,,,,,[Cl-],
,,,GOL:P:140,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4B1W,,,,,,,
,,,GOL:B:1380,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1378,invalid,,,,,[Mg+2],
,,,SO4:B:1379,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAB:B:1376,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,Family. Representative Entry is ,3SJH,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAR:A:503,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,3U8X,,,,,,,
,,,ATP:C:501,Part of Protein,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP MG:A:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,3U9D,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V51,,,,,,,
,,,ATP:B:1372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:B:1373,invalid,,,,,[Ca+2],
,,,CA:D:1373,invalid,,,,,[Ca+2],
,,,LAB:B:1374,invalid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,LAB:D:1374,invalid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,PEG:B:1375,invalid,,,,,C(COCCO)O,
,,,PEG:D:1377,invalid,,,,,C(COCCO)O,
,,,SCN:B:1376,invalid,,,,,C(#N)[S-],
,,,SCN:B:1377,invalid,,,,,C(#N)[S-],
,,,SCN:D:1375,invalid,,,,,C(#N)[S-],
,,,SCN:D:1376,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,1H6W,,,,,,,
,,,SER LEU ASN TYR ILE ILE LYS VAL LYS GLU:B:518,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CC(=O)N)Cc1ccc(O)cc1)C(CC)C)C(CC)C)CCCC[NH3+])C(C)C)CCCC[NH3+])CCC(=O)[O-],
,Family. Representative Entry is ,3MN9,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,1DTL,,,,,,,
,,,BEP:A:204,valid,,,,,CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3,
,,,BEP:A:205,valid,,,,,CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3,
,,,BEP:A:206,valid,,,,,CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6QDJ,,,,,,,
,,,PGO:A:814,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:813,invalid,,,,,C[C@@H](CO)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HEZ:A:815,invalid,,,,,C(CCCO)CCO,
,,,BU1:A:812,invalid,,,,,C(CCO)CO,
,,,P15:A:816,invalid,,,,,COCCOCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,1SQK,,,,,,,
,,,ADP:A:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAR:A:378,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,MG:A:376,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4B1Y,,,,,,,
,,,P6G:M:1523,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,LAB:B:1376,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,GOL:B:1380,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1378,invalid,,,,,[Mg+2],
,,,PEG:B:1383,invalid,,,,,C(COCCO)O,
,,,PEG:B:1381,invalid,,,,,C(COCCO)O,
,,,PEG:B:1382,invalid,,,,,C(COCCO)O,
,,,ATP:B:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,1PE:B:1379,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4Z3E,,,,,,,
,,,BGC GAL GLA NGA GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC(CO)C1O)C,
,,1J8R,,,,,,,
,,,BGC GAL GLA NGA:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,4PA0,,,,,,,
,,,GOL:B:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1103,invalid,,,,,C(C(CO)O)O,
,,,2OW:A:1101,valid,Ki,=,100,nM,Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC,
,,,2OW:B:1101,valid,Ki,=,100,nM,Cc1ccc(cn1)NC(=O)Nc2cccc(c2F)CN3CCN(CC3)C(=O)OC,
,Family. Representative Entry is ,4PKI,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:G:1401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5HPY,,,,,,,
,,,MGF:F:201,invalid,,,,,F[Mg-](F)F,
,,,MGF:B:201,invalid,,,,,F[Mg-](F)F,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:204,Part of Protein,,,,,[Mg+2],
,,,MG:F:203,Part of Protein,,,,,[Mg+2],
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4PL7,,,,,,,
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:A:502,invalid,,,,,[Ca+2],
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1T5C,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,PIN:A:604,invalid,,,,,C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O,
,Family. Representative Entry is ,6RSW,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3UKR,,,,,,,
,,,CKH:B:401,valid,ic50,=,12,uM,Cc1c(c2ccccc2[nH]1)CCNC(=O)c3ccccc3F,
,,2P9I,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:500,invalid,,,,,[Ca+2],
,,,CA:B:501,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,4EFH,,,,,,,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,3MN5,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:901,invalid,,,,,[Ca+2],
,,,LAB:A:376,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,Family. Representative Entry is ,5I0H,,,,,,,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:816,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:815,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,ADP BEF:B:801,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:A:801,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,SO4:A:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2KIN,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZBR,,,,,,,
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5ZBS,,,,,,,
,,,ANP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5LJW,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,1BG2,,,,,,,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2Q97,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1002,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,2V52,,,,,,,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,LAB:B:401,invalid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,MG:B:403,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1YAG,,,,,,,
,,,ATP:A:378,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:126,Part of Protein,,,,,[Ca+2],
,,,MG:A:376,invalid,,,,,[Mg+2],
,,,SO4:A:377,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YVN,,,,,,,
,,,ATP:A:378,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:G:303,Part of Protein,,,,,[Ca+2],
,,,MG:A:376,invalid,,,,,[Mg+2],
,,,SO4:A:377,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZZB,,,,,,,
,,,CA:D:403,invalid,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,LAB:B:401,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,LAB:D:401,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,ATP:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2ZGY,,,,,,,
,,,GDP:A:323,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:323,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:321,Part of Protein,,,,,[Mg+2],
,,,MG:A:322,Part of Protein,,,,,[Mg+2],
,,,MG:B:321,Part of Protein,,,,,[Mg+2],
,,,MG:B:322,Part of Protein,,,,,[Mg+2],
,,4A61,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,1MWM,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1500,invalid,,,,,[Mg+2],
,,,MG:B:3500,invalid,,,,,[Mg+2],
,,2ZGZ,,,,,,,
,,,GNP:A:323,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:323,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:321,Part of Protein,,,,,[Mg+2],
,,,MG:A:322,Part of Protein,,,,,[Mg+2],
,,,MG:B:321,Part of Protein,,,,,[Mg+2],
,,,MG:B:322,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VB6,,,,,,,
,,,ADP BEF:A:998,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,CA:B:1148,Part of Protein,,,,,[Ca+2],
,,,CA:B:1149,Part of Protein,,,,,[Ca+2],
,,,CA:B:1150,Part of Protein,,,,,[Ca+2],
,,,CA:B:1151,Part of Protein,,,,,[Ca+2],
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,2VAS,,,,,,,
,,,ADP BEF:A:998,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,CA:B:1148,Part of Protein,,,,,[Ca+2],
,,,CA:B:1149,Part of Protein,,,,,[Ca+2],
,,,CA:B:1150,Part of Protein,,,,,[Ca+2],
,,,CA:B:1151,Part of Protein,,,,,[Ca+2],
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,4PJJ,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,PO4:A:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2Y65,,,,,,,
,,,ADP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:800,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1AWI,,,,,,,
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO PRO:P:1,valid,Kd,=,90,uM,,
,,1CF0,,,,,,,
,,,PRO PRO PRO PRO PRO PRO PRO PRO IYR:C:3,valid,,,,,,
2.3.1.21,,,,,,,,,
,Family. Representative Entry is ,2RCU,,,,,,,
,,,BOG:A:1736,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BUJ:A:0,valid,ic50,=,210,nM,CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C,
,,,BUJ:B:0,valid,ic50,=,210,nM,CCCCCCCCCCCCCCCC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C,
,,2DEB,,,,,,,
,,,BOG:B:1736,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,COA:A:2350,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2360,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PLM:A:2351,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:1600,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2FW3,,,,,,,
,,,BUI:A:900,valid,,,,,CCCCCCCCCCCCCCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C,
,,4EYW,,,,,,,
,,,L0R:B:701,valid,,,,,c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3,
,,,L0R:A:701,valid,,,,,c1ccc(cc1)OCC(=O)N2CCCC[C@@H]2C(=O)N3CCc4ccccc4C3,
,,,P6G:A:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4EPH,,,,,,,
,,,0RK:A:701,valid,,,,,Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(c(c4)Cl)C(=O)O,
,,,BOG:A:702,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4EP9,,,,,,,
,,,PLM:A:702,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,0RD:A:701,valid,,,,,Cc1cc(cc2c1CCN2S(=O)(=O)c3cc(ccc3OC)Cl)C(=O)Nc4ccc(cc4)C(=O)O,
1.2.1.11,,,,,,,,,
,Family. Representative Entry is ,2GZ3,,,,,,,
,,,AS2:A:400,invalid,,,,,C(C=O)[C@H](C(=O)O)N,
,,,AS2:B:400,invalid,,,,,C(C=O)[C@H](C(=O)O)N,
,,,AS2:C:400,invalid,,,,,C(C=O)[C@H](C(=O)O)N,
,,,AS2:D:400,invalid,,,,,C(C=O)[C@H](C(=O)O)N,
,,,NAP:A:367,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:367,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:367,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:367,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4R54,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,3JM:A:405,valid,Ki,=,2.2,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)CCC(=O)O,
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3PZB,,,,,,,
,,,2RA:A:367,valid,,,,,C([C@H](C(=O)O)N)N,
,,,2RA:B:367,valid,,,,,C([C@H](C(=O)O)N)N,
,,,EDO:A:370,invalid,,,,,C(CO)O,
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:B:369,invalid,,,,,C(CO)O,
,,,EDO:B:370,invalid,,,,,C(CO)O,
,,,EDO:B:371,invalid,,,,,C(CO)O,
,,,NA:A:369,Part of Protein,,,,,[Na+],
,,,NAP:A:368,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:368,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3PYL,,,,,,,
,,,2RA:A:367,valid,,,,,C([C@H](C(=O)O)N)N,
,,,2RA:B:367,valid,,,,,C([C@H](C(=O)O)N)N,
,,,2RA:C:367,valid,,,,,C([C@H](C(=O)O)N)N,
,,4R41,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,4NO:A:401,valid,Ki,=,0.27,mM,c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O,
,,,4NO:B:401,valid,Ki,=,0.27,mM,c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,4R51,,,,,,,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,PHT:A:403,valid,Ki,=,3.8,mM,c1ccc(c(c1)C(=O)O)C(=O)O,
,,4R4J,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,3JL:B:401,valid,Ki,=,2.4,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O,
,,,3JL:A:401,valid,Ki,=,2.4,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)CCCC(=O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,2GZ1,,,,,,,
,,,NAP:A:702,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:701,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3PWS,,,,,,,
,,,11C:A:367,valid,,,,,C(C[C@H](C(=O)O)N)CC(=O)O,
,,,11C:B:367,valid,,,,,C(C[C@H](C(=O)O)N)CC(=O)O,
,,,A2P:A:369,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:B:368,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,NA:A:368,Part of Protein,,,,,[Na+],
,,2GZ2,,,,,,,
,,,A2P:A:502,valid,Kd,=,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:B:501,valid,Kd,=,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,3PYX,,,,,,,
,,,12T:B:371,valid,Ki,=,0.78,mM,c1cc(c(cc1C(=O)O)N)C(=O)O,
,,,EDO:A:369,invalid,,,,,C(CO)O,
,,,EDO:A:370,invalid,,,,,C(CO)O,
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:A:372,invalid,,,,,C(CO)O,
,,,EDO:B:368,invalid,,,,,C(CO)O,
,,,EDO:B:369,invalid,,,,,C(CO)O,
,,,EDO:B:370,invalid,,,,,C(CO)O,
,,,NA:A:368,Part of Protein,,,,,[Na+],
,,,NAP:A:367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3Q11,,,,,,,
,,,EDO:A:370,invalid,,,,,C(CO)O,
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:A:372,invalid,,,,,C(CO)O,
,,,EDO:B:369,invalid,,,,,C(CO)O,
,,,EDO:B:370,invalid,,,,,C(CO)O,
,,,NA:A:369,Part of Protein,,,,,[Na+],
,,,NAP:A:367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P4F:A:368,valid,,,,,C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O,
,,,P4F:B:368,valid,,,,,C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O,
,,4R5H,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,3JN:A:407,valid,Ki,=,4.2,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)/C=C/CC(=O)O,
,,,NAP:A:408,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4R3W,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,A2P:B:408,valid,Ki,=,1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:A:406,valid,Ki,=,1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,3GQ:A:402,valid,Ki,=,1,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,3PWK,,,,,,,
,,,25A:A:367,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N,
,,,25A:B:367,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N,
,,,EDO:A:369,invalid,,,,,C(CO)O,
,,,EDO:A:370,invalid,,,,,C(CO)O,
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:A:372,invalid,,,,,C(CO)O,
,,,EDO:B:369,invalid,,,,,C(CO)O,
,,,EDO:B:370,invalid,,,,,C(CO)O,
,,,EDO:B:371,invalid,,,,,C(CO)O,
,,,EDO:B:372,invalid,,,,,C(CO)O,
,,,L14:A:368,valid,Ki,=,0.45,mM,C1CC(CCC1C(=O)O)C(=O)O,
,,,L14:B:368,valid,Ki,=,0.45,mM,C1CC(CCC1C(=O)O)C(=O)O,
,,,NA:A:373,Part of Protein,,,,,[Na+],
,,,NA:B:373,Part of Protein,,,,,[Na+],
,,4R3N,,,,,,,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:B:409,invalid,,,,,CC(=O)[O-],
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,3GQ:B:404,valid,Ki,=,1,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O,
,,,3GQ:A:404,valid,Ki,=,1,mM,c1cc(c(c(c1)C(=O)O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,1TB4,,,,,,,
,,,PEJ:A:373,valid,Ki,=,0.2,mM,[O-]I(=O)(=O)=O,
,,1TA4,,,,,,,
,,,ART:A:373,valid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:A:374,valid,,,,,[O-][As](=O)([O-])[O-],
,,1PQU,,,,,,,
,,,CAC:A:1375,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2375,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:3374,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:D:4375,invalid,,,,,C[As](=O)(C)[O-],
,,,CYS:A:1374,Part of Protein,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:2374,Part of Protein,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:C:3373,Part of Protein,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:D:4374,Part of Protein,,,,,C([C@@H](C(=O)O)N)S,
,,,NAP:A:1372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4R5M,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,4NO:A:403,valid,Ki,=,0.076,mM,c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O,
,,,4NO:B:402,valid,Ki,=,0.076,mM,c1cc(c(cc1[N+](=O)[O-])P(=O)(O)O)C(=O)O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1MB4,,,,,,,
,,,CYS:A:500,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:501,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3PZR,,,,,,,
,,,NA:A:373,Part of Protein,,,,,[Na+],
,,,NA:B:373,Part of Protein,,,,,[Na+],
,,,NAP:A:372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2R00,,,,,,,
,,,OEG:C:1,valid,,,,,C(C(=O)O)OCC(=O)O,
,Family. Representative Entry is ,1YS4,,,,,,,
,,,MLA:A:903,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:904,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:902,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:905,invalid,,,,,C(C(=O)O)C(=O)O,
,,,NAP:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.1.1.193,,,,,,,,,
,Family. Representative Entry is ,5O96,,,,,,,
,,,SAM:A:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:E:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:G:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:F:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:H:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:501,valid,Ka,=,708000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
2.1.1.32,,,,,,,,,
,Family. Representative Entry is ,2EJU,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2EJT,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
2.7.11.21,,,,,,,,,
,Family. Representative Entry is ,4I6H,,,,,,,
,,,1C8:A:401,valid,ic50,=,0.005,uM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)n4ccnc4c5cscn5)C,
,,4I5M,,,,,,,
,,,R78:A:401,valid,ic50,=,0.0088,uM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,4I5P,,,,,,,
,,,1D1:A:401,valid,ic50,=,0.377,uM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)c4ccc[nH]4)C,
,,4I6B,,,,,,,
,,,11G:A:401,valid,ic50,=,1.17,uM,CC[C@@H]1C(=O)N(c2cncnc2N1C3CCCC3)C,
,Family. Representative Entry is ,3FC2,,,,,,,
,,,ACT:A:3,invalid,,,,,CC(=O)[O-],
,,,ACT:A:7,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,IBI:A:10,valid,ic50,=,0.87,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C(C)C)Nc3ccc(cc3OC)C(=O)NC4CCC(CC4)N5CCN(CC5)CC6CC6)C,
,,,PEG:A:5,invalid,,,,,C(COCCO)O,
,,,ZN:A:8,Part of Protein,,,,,[Zn+2],
,,2RKU,,,,,,,
,,,R78:A:500,valid,ic50,=,8,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,,SRT:A:505,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:507,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:503,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:504,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4J53,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1J4:A:403,valid,ic50,=,2,nM,CN1CCC(CC1)NC(=O)c2cc(c(cc2F)Nc3ncc4c(n3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,2YAC,,,,,,,
,,,937:A:501,valid,ic50,=,0.002,uM,CN1CCN(CC1)c2ccc(c(c2)Nc3ncc4c(n3)-c5c(c(nn5CCO)C(=O)N)CC4)OC(F)(F)F,
,,,TLA:A:503,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,4J52,,,,,,,
,,,1J3:A:400,valid,ic50,=,3,nM,CN1CCN(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc4c(n3)N(C[C@@](C(=O)N4C)(C=C)F)C5CCCC5,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,4A4L,,,,,,,
,,,939:A:1331,valid,ic50,=,0.015,uM,Cn1cc(cc1c2ccnc(n2)Nc3cc(ccc3OC(F)(F)F)N4CCN(CC4)C)C(=O)N,
,,,TLA:A:1330,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:1329,Part of Protein,,,,,[Zn+2],
,,2OU7,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ANP:A:500,valid,ic50,=,155,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,3KB7,,,,,,,
,,,071:A:1,valid,ic50,=,0.007,uM,Cn1c-2c(c(n1)C(=O)N)CCc3c2nc(nc3)Nc4cc(ccc4OC)N5CCN(CC5)C,
,,,TLA:A:400,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:346,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5TA6,,,,,,,
,,,79D:A:1000,valid,ic50,=,1.5,nM,CC[C@@H]1c2c(ncn2-c3cnc(nc3N1C4CCCC4)Nc5ccc(cc5OC)C(=O)NC6CCN(CC6)C)C#N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3THB,,,,,,,
,,,3TA:A:1,valid,ic50,=,2,nM,Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,2OWB,,,,,,,
,,,626:A:500,valid,ic50,=,0.44,uM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3P34,,,,,,,
,,,ACE MET GLN SER TPO PRO LEU NH2:B:0,valid,,,,,,
,,,GOL:A:597,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:595,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:596,invalid,,,,,[O-]S(=O)(=O)[O-],
2.1.1.68,,,,,,,,,
,Family. Representative Entry is ,1KYZ,,,,,,,
,,,FER:A:366,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:C:366,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:E:1698,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,SAH:A:1698,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:1697,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1KYW,,,,,,,
,,,HFL:F:0,invalid,,,,,COc1cc(cc(c1O)O)C=CC(O)O,
,,,SAH:C:1698,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:1699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.4.1.18,,,,,,,,,
,Family. Representative Entry is ,3ABI,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
2.6.1.45,,,,,,,,,
,Family. Representative Entry is ,6PK1,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,3PY:A:502,valid,,,,,C(C(=O)C(=O)O)O,
,,6PK3,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,FMT:A:502,invalid,,,,,C(=O)O,
5.1.1.4,,,,,,,,,
,Family. Representative Entry is ,1W62,,,,,,,
,,,PYC:A:700,valid,Ka,=,4600000,M^-1,c1cc([nH]c1)C(=O)[O-],
,,6HJE,,,,,,,
,,,7N0:B:501,valid,,,,,C1C[C@H](C(=O)C1)CC(=O)O,
,,,7N0:A:502,valid,,,,,C1C[C@H](C(=O)C1)CC(=O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6HJG,,,,,,,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SHF:A:500,valid,,,,,CC(=O)CCC(=O)O,
,,,SHF:B:502,valid,,,,,CC(=O)CCC(=O)O,
,,1W61,,,,,,,
,,,PYC:A:700,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,,PYC:B:700,valid,,,,,c1cc([nH]c1)C(=O)[O-],
5.1.1.21,,,,,,,,,
,Family. Representative Entry is ,5WYF,,,,,,,
,,,CD:B:1009,invalid,,,,,[Cd+2],
,,,CD:C:1005,invalid,,,,,[Cd+2],
,,,CD:B:1008,invalid,,,,,[Cd+2],
,,,CD:A:1011,invalid,,,,,[Cd+2],
,,,CD:C:1004,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:D:1004,invalid,,,,,[Cd+2],
,,,CD:C:1007,invalid,,,,,[Cd+2],
,,,CD:B:1007,invalid,,,,,[Cd+2],
,,,CD:D:1002,invalid,,,,,[Cd+2],
,,,CD:B:1002,invalid,,,,,[Cd+2],
,,,CD:C:1011,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,CD:A:1008,invalid,,,,,[Cd+2],
,,,CD:D:1009,invalid,,,,,[Cd+2],
,,,CD:B:1006,invalid,,,,,[Cd+2],
,,,CD:C:1002,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:D:1003,invalid,,,,,[Cd+2],
,,,CD:C:1006,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:C:1010,invalid,,,,,[Cd+2],
,,,CD:D:1007,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:C:1009,invalid,,,,,[Cd+2],
,,,CD:D:1006,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1010,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:C:1003,invalid,,,,,[Cd+2],
,,,CD:A:1009,invalid,,,,,[Cd+2],
,,,CD:D:1008,invalid,,,,,[Cd+2],
,,,CD:B:1005,invalid,,,,,[Cd+2],
,,,CD:C:1008,invalid,,,,,[Cd+2],
,,,CD:D:1005,invalid,,,,,[Cd+2],
,,,ILP:B:1001,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,ILP:A:1001,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,ILP:C:1001,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,ILP:D:1001,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
3.1.1.23,,,,,,,,,
,Family. Representative Entry is ,4ZXF,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4S7:C:500,valid,,,,,CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O,
,,,NO3:D:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:402,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,5ZUN,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,9JX:A:401,valid,ic50,=,0.64,nM,c1ccc(c(c1)c2cccc(c2)N3C[C@@H](CC3=O)N4CCN(CC4)C(=O)c5nccs5)Cl,
,,3PE6,,,,,,,
,,,ZYH:A:304,valid,,,,,c1cnc(nc1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n5)C6CCCCC6,
2.5.1.54,,,,,,,,,
,Family. Representative Entry is ,5UXM,,,,,,,
,,,PEP:A:501,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,CO:A:505,Part of Protein,,,,,[Co+2],
,,,TRP:A:502,valid,Kd,=,3.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,5UXO,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,PEP:A:502,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,5UXN,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEP:A:504,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,CO:A:503,Part of Protein,,,,,[Co+2],
,,,TYR:A:505,valid,Kd,=,23,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,CL:A:506,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1RZM,,,,,,,
,,,CD:A:8001,invalid,,,,,[Cd+2],
,,,CD:B:9001,invalid,,,,,[Cd+2],
,,,CD:B:9009,invalid,,,,,[Cd+2],
,,,E4P:A:8003,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:B:9003,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,PEP:A:8002,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:9002,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4UMA,,,,,,,
,,,GZ3:C:1351,valid,Ki,=,3.9,uM,C/C(=CP(=O)(O)O)/C(=O)O,
,,,GZ3:A:1351,valid,Ki,=,3.9,uM,C/C(=CP(=O)(O)O)/C(=O)O,
,,,GZ3:B:1351,valid,Ki,=,3.9,uM,C/C(=CP(=O)(O)O)/C(=O)O,
,,,GZ3:D:1351,valid,Ki,=,3.9,uM,C/C(=CP(=O)(O)O)/C(=O)O,
,,,MN:C:1350,Part of Protein,,,,,[Mn+2],
,,,MN:D:1350,Part of Protein,,,,,[Mn+2],
,,,MN:A:1350,Part of Protein,,,,,[Mn+2],
,,,MN:B:1350,Part of Protein,,,,,[Mn+2],
,,4UMB,,,,,,,
,,,0V5:B:1351,valid,Ki,=,99,uM,C[C@H](C(=O)O)OP(=O)(O)O,
,,,0V5:C:1351,valid,Ki,=,99,uM,C[C@H](C(=O)O)OP(=O)(O)O,
,,,0V5:A:1353,valid,Ki,=,99,uM,C[C@H](C(=O)O)OP(=O)(O)O,
,,,0V5:D:1351,valid,Ki,=,99,uM,C[C@H](C(=O)O)OP(=O)(O)O,
,,,PO4:D:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MN:D:1350,Part of Protein,,,,,[Mn+2],
,,,MN:A:1351,Part of Protein,,,,,[Mn+2],
,,,MN:C:1350,Part of Protein,,,,,[Mn+2],
,,,MN:B:1350,Part of Protein,,,,,[Mn+2],
,,4UMC,,,,,,,
,,,PEQ:C:1351,valid,Ki,=,360,uM,C[C@@H](C(=O)O)OP(=O)(O)O,
,,,PEQ:A:1352,valid,Ki,=,360,uM,C[C@@H](C(=O)O)OP(=O)(O)O,
,,,PEQ:B:1352,valid,Ki,=,360,uM,C[C@@H](C(=O)O)OP(=O)(O)O,
,,,PEQ:D:1352,valid,Ki,=,360,uM,C[C@@H](C(=O)O)OP(=O)(O)O,
,,,PO4:D:1351,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1353,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1352,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1351,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MN:D:1350,Part of Protein,,,,,[Mn+2],
,,,MN:A:1350,Part of Protein,,,,,[Mn+2],
,,,MN:B:1351,Part of Protein,,,,,[Mn+2],
,,,MN:C:1350,Part of Protein,,,,,[Mn+2],
,,4HSO,,,,,,,
,,,PEP:B:402,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:402,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:402,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:402,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:D:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,TYR:D:401,valid,Kd,=,22,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:C:401,valid,Kd,=,22,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:401,valid,Kd,=,22,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:401,valid,Kd,=,22,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,4UCG,,,,,,,
,,,PEG:B:1354,invalid,,,,,C(COCCO)O,
,,,PEG:B:1353,invalid,,,,,C(COCCO)O,
,,,PEG:A:1354,invalid,,,,,C(COCCO)O,
,,,PEG:A:1355,invalid,,,,,C(COCCO)O,
,,,PEP:A:1352,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:1351,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:1351,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1351,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,MN:D:1350,Part of Protein,,,,,[Mn+2],
,,,MN:A:1351,Part of Protein,,,,,[Mn+2],
,,,MN:B:1350,Part of Protein,,,,,[Mn+2],
,,,MN:C:1350,Part of Protein,,,,,[Mn+2],
,,,SO4:B:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DCE,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,TRP:D:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,4UC5,,,,,,,
,,,MN:D:1350,Part of Protein,,,,,[Mn+2],
,,,MN:A:1350,Part of Protein,,,,,[Mn+2],
,,,MN:B:1350,Part of Protein,,,,,[Mn+2],
,,,MN:C:1350,Part of Protein,,,,,[Mn+2],
,,,PHE:A:1354,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:1352,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:1352,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:1351,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,SO4:B:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:1351,invalid,,,,,C(COCCO)O,
,,4HSN,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEP:B:403,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:403,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:403,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:403,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2YPO,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PHE:B:900,valid,Kd,=,21,uM,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:900,valid,Kd,=,21,uM,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,5E40,,,,,,,
,,,MN:B:506,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTY:A:503,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:B:507,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,3PFP,,,,,,,
,,,035:A:463,valid,,,,,C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O,
,,,035:B:771,valid,,,,,C(CC[C@@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O,
,,,036:A:716,valid,,,,,C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O,
,,,036:B:463,valid,,,,,C(CC[C@H](C(=O)O)OP(=O)(O)O)CCOP(=O)(O)O,
,,,CL:B:464,invalid,,,,,[Cl-],
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,SO4:B:465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NV8,,,,,,,
,,,CL:B:470,invalid,,,,,[Cl-],
,,,GOL:A:465,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:466,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:466,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:469,invalid,,,,,C(C(CO)O)O,
,,,MN:A:464,Part of Protein,,,,,[Mn+2],
,,,MN:B:465,Part of Protein,,,,,[Mn+2],
,,,PEP:A:467,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:471,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5E2L,,,,,,,
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,DPN:B:509,valid,Kd,=,93,uM,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,DPN:A:507,valid,Kd,=,93,uM,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,2B7O,,,,,,,
,,,CE1:A:1001,invalid,,,,,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,PEP:A:702,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:703,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YPP,,,,,,,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:B:905,invalid,,,,,[Cl-],
,,,TYR:B:800,valid,Kd,=,39,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:801,valid,Kd,=,39,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:800,valid,Kd,=,39,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,5E5G,,,,,,,
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,DTR:B:507,valid,Kd,=,700,uM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,DTR:A:504,valid,Kd,=,700,uM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,DTR:B:506,valid,Kd,=,700,uM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,DTR:A:503,valid,Kd,=,700,uM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5E7Z,,,,,,,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:B:506,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:505,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,DPN:A:506,valid,,,,,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,DPN:B:507,valid,,,,,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,DTR:A:504,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,DTR:B:505,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,3KGF,,,,,,,
,,,CL:A:467,invalid,,,,,[Cl-],
,,,CL:A:471,invalid,,,,,[Cl-],
,,,GOL:A:2647,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:466,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:468,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:469,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:470,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:472,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:473,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:474,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:475,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2647,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:469,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:470,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:471,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:472,invalid,,,,,C(C(CO)O)O,
,,,MN:A:465,Part of Protein,,,,,[Mn+2],
,,,MN:B:466,Part of Protein,,,,,[Mn+2],
,,,PHE:A:9003,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:4188,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:9001,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PO4:A:463,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:464,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:463,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:B:464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:A:9004,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:9004,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,3NUE,,,,,,,
,,,CE1:A:1001,invalid,,,,,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,CL:B:469,invalid,,,,,[Cl-],
,,,GOL:A:2647,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2647,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:470,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:471,invalid,,,,,C(C(CO)O)O,
,,,MN:A:463,Part of Protein,,,,,[Mn+2],
,,,MN:B:466,Part of Protein,,,,,[Mn+2],
,,,PO4:A:464,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:463,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:A:9004,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:9004,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,5E4N,,,,,,,
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTY:B:508,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:A:505,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:B:507,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6AGM,,,,,,,
,,,TYR:B:601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:D:601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:C:601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2W1A,,,,,,,
,,,CE1:A:1465,invalid,,,,,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,GOL:A:1467,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1466,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1467,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1463,Part of Protein,,,,,[Mn+2],
,,,MN:B:1465,Part of Protein,,,,,[Mn+2],
,,,PG4:A:1466,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSA:C:1091,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:D:1091,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
2.3.1.133,,,,,,,,,
,Family. Representative Entry is ,5KJW,,,,,,,
,,,53C:A:800,valid,,,,,CC(=O)c1cccc(c1)O,
,,,53C:B:800,valid,,,,,CC(=O)c1cccc(c1)O,
,Family. Representative Entry is ,5KJU,,,,,,,
,,,6TO:A:800,valid,,,,,c1cc(ccc1/C=C/C(=O)O[C@@H]2C=C(C[C@H]([C@@H]2O)O)C(=O)O)O,
2.3.1.35,,,,,,,,,
,Family. Representative Entry is ,3IT6,,,,,,,
,,,ORN:B:1,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:1,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
1.1.3.6,,,,,,,,,
,Family. Representative Entry is ,1N4W,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,MN:A:512,Part of Protein,,,,,[Mn+2],
,,4XWR,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1N1P,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,MN:A:512,Part of Protein,,,,,[Mn+2],
,,,MN:A:513,Part of Protein,,,,,[Mn+2],
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,1CBO,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3GYI,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IJH,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4U2T,,,,,,,
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CNJ,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N4U,,,,,,,
,,,FAE:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,OXY:A:517,invalid,,,,,O=O,
,,,PO4:A:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:513,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:514,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1B4V,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3GYJ,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B8S,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1CC2,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4REK,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4U2L,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SFD:A:604,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,4U2S,,,,,,,
,,,FDA:A:605,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3B6D,,,,,,,
,,,FAE:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XXG,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1MXT,,,,,,,
,,,FAE:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O,
,,,OXY:A:512,invalid,,,,,O=O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GEW,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXY:A:512,invalid,,,,,O=O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N4V,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,3B3R,,,,,,,
,,,FAE:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1COY,,,,,,,
,,,AND:A:508,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3COX,,,,,,,
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2I0K,,,,,,,
,,,CAC:A:703,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:705,invalid,,,,,C[As](=O)(C)[O-],
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
2.7.11.14,,,,,,,,,
,Family. Representative Entry is ,4PNI,,,,,,,
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,KQQ:A:601,valid,ic50,=,0.125,uM,CC1(CCN(c2c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C(=O)N)OC)C(=O)CN(C)C)C,
,,3C4Z,,,,,,,
,,,ADP:A:562,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:565,invalid,,,,,[Cl-],
,,,CL:A:566,invalid,,,,,[Cl-],
,,,MG:A:563,Part of Protein,,,,,[Mg+2],
,,,MG:A:564,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4L9I,,,,,,,
,,,8PR:A:601,valid,Kd,=,13,uM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F,
,,,8PR:B:601,valid,Kd,=,13,uM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,MES:A:602,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
3.2.2.8,,,,,,,,,
,Family. Representative Entry is ,1YOE,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,RIB:A:2001,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,3G5I,,,,,,,
,,,BME:A:1102,invalid,,,,,C(CS)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,DNB:A:502,valid,,,,,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:B:502,valid,,,,,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:C:502,valid,,,,,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:D:502,valid,,,,,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,Family. Representative Entry is ,3MKN,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,DNB:A:502,valid,Ki,=,76,uM,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:B:502,valid,Ki,=,76,uM,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:C:502,valid,Ki,=,76,uM,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,,DNB:D:502,valid,Ki,=,76,uM,c1cc(c(cc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N)N,
,,3B9X,,,,,,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:C:400,Part of Protein,,,,,[Ca+2],
,,,CA:D:400,Part of Protein,,,,,[Ca+2],
,,,NOS:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,TAM:D:402,invalid,,,,,C(CO)C(CCO)(CCO)N,
3.6.1.12,,,,,,,,,
,Family. Representative Entry is ,6SQW,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,5CM:A:202,valid,,,,,CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,5CM:D:202,valid,,,,,CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,6SQZ,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,0KX:D:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O,
,,,0KX:A:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O,
,,6SQY,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,DCM:A:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:D:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
1.1.1.154,,,,,,,,,
,Family. Representative Entry is ,4FJU,,,,,,,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GLV:A:402,valid,,,,,C(=O)C(=O)O,
,,4H8A,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
2.3.2.2,,,,,,,,,
,Family. Representative Entry is ,2DBX,,,,,,,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,GLU:B:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:602,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2QMC,,,,,,,
,,,GTB:B:1,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:D:1,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,Family. Representative Entry is ,3A75,,,,,,,
,,,GLU:B:600,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
3.1.3.74,,,,,,,,,
,Family. Representative Entry is ,2P69,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,PLP:A:306,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
3.4.11.7,,,,,,,,,
,Family. Representative Entry is ,4KX8,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,NAG NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1017,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,L2O VAL VAL ASP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C([NH3+])CC(C)C)C(C)C)C(C)C)CC(=O)[O-],
,,4KXB,,,,,,,
,,,BES:A:1017,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,NAG NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
1.14.13.39,,,,,,,,,
,Family. Representative Entry is ,1ED4,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:1950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:2950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:1885,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2885,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPU:A:1830,valid,Ki,=,0.022,uM,CC(C)SC(=N)N,
,,,IPU:A:2840,valid,Ki,=,0.022,uM,CC(C)SC(=N)N,
,,,IPU:B:1840,valid,Ki,=,0.022,uM,CC(C)SC(=N)N,
,,,IPU:B:2830,valid,Ki,=,0.022,uM,CC(C)SC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UPR,,,,,,,
,,,HEM:A:1483,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1483,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1484,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,7LN:A:800,valid,Ki,=,16.68,uM,c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(c4cccs4)/N,
,,,7LN:B:800,valid,Ki,=,16.68,uM,c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(c4cccs4)/N,
,,1FOJ,,,,,,,
,,,7I2:B:1770,valid,,,,,c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N,
,,,7I2:B:2770,valid,,,,,c1cc2cn(nc2c(c1)[N+](=O)[O-])C(=N)N,
,,,7NI:A:1750,valid,,,,,c1cc2cn[nH]c2c(c1)[N+](=O)[O-],
,,,7NI:B:2750,valid,,,,,c1cc2cn[nH]c2c(c1)[N+](=O)[O-],
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:1950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2950,invalid,,,,,C[As](=O)(C)[O-],
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N6A,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFK:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1ED5,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:1950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:2950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2890,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NRG:A:1705,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,NRG:B:2705,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,5UO9,,,,,,,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:510,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:511,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8J4:B:503,valid,Ki,=,43,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,8J4:C:503,valid,Ki,=,43,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,8J4:A:503,valid,Ki,=,43,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,8J4:D:503,valid,Ki,=,43,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:510,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:D:508,invalid,,,,,[Cl-],
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:B:509,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:C:508,invalid,,,,,[Gd],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,MG:D:509,invalid,,,,,[Mg+2],
,,,CA:A:510,invalid,,,,,[Ca+2],
,,6CIF,,,,,,,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:508,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,F2J:C:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,F2J:B:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,F2J:A:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,F2J:D:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,1Q2O,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:851,invalid,,,,,C[As](=O)(C)[O-],
,,,DP1:A:790,valid,Ki,=,9.5,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,DP1:B:791,valid,Ki,=,9.5,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D36,,,,,,,
,,,HLW:A:800,valid,Ki,=,8.1,uM,c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3,
,,,HLW:B:800,valid,Ki,=,8.1,uM,c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1DM7,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1885,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2885,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2890,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HRG:A:1740,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,HRG:B:2740,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,ZN:B:2900,Part of Protein,,,,,[Zn+2],
,,5NSE,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:885,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:886,invalid,,,,,C(C(CO)O)O,
,,,HAR:A:770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:771,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLF,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRS:A:800,valid,Ki,=,18.78,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRS:B:800,valid,Ki,=,18.78,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NH7,,,,,,,
,,,BTB:A:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,KMM:A:502,valid,,,,,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,KMM:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,KMM:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,KMM:B:502,valid,,,,,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,4CWW,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW9:B:800,valid,Ki,=,45.2,uM,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW9:A:800,valid,Ki,=,45.2,uM,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:1483,Part of Protein,,,,,[Zn+2],
,,1M9K,,,,,,,
,,,7NI:A:906,valid,Kd,~,250,uM,c1cc2cn[nH]c2c(c1)[N+](=O)[O-],
,,,7NI:B:907,valid,Kd,~,250,uM,c1cc2cn[nH]c2c(c1)[N+](=O)[O-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,3N67,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UHA,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,Q1T:A:800,valid,Ki,=,24950,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,,Q1T:B:800,valid,Ki,=,24950,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,1FOP,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,ARG:A:1700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:2700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:1950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:1600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:1910,invalid,,,,,[N]=O,
,,,NO:B:2910,invalid,,,,,[N]=O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4D1P,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:B:1490,invalid,,,,,[Gd],
,,,GD:A:1490,invalid,,,,,[Gd],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,BTB:B:871,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:871,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:870,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:870,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q16:B:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,Q16:A:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,5VVD,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:D:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,GD:B:510,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:D:508,invalid,,,,,[Gd],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,9OG:B:503,valid,,,,,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,9OG:C:503,valid,,,,,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,9OG:D:504,valid,,,,,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,9OG:A:503,valid,,,,,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,3JWZ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J14:A:800,valid,Ki,=,57100,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,J14:B:800,valid,Ki,=,57100,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4CU0,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,S71:A:800,valid,Ki,=,68520,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,S71:B:800,valid,Ki,=,68520,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3N6E,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4NSE,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4D34,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,E2Z:B:800,valid,Ki,=,10.5,uM,c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3,
,,,E2Z:A:800,valid,Ki,=,10.5,uM,c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1FOI,,,,,,,
,,,14W:A:810,valid,,,,,[H]/N=C(/C)NCc1cccc(c1)CN,
,,,14W:B:810,valid,,,,,[H]/N=C(/C)NCc1cccc(c1)CN,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:1950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5FVY,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W64:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,W64:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,EDO:B:870,invalid,,,,,C(CO)O,
,,,EDO:A:870,invalid,,,,,C(CO)O,
,,4IMX,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,1EV:A:503,valid,Ki,=,26.4,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C,
,,,1EV:B:503,valid,Ki,=,26.4,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C,
,,,CAD:A:507,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:507,invalid,,,,,C[As](=O)(C)O,
,,5ADM,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,9M9:A:800,valid,,,,,c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN,
,,,9M9:B:800,valid,,,,,c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,2G6O,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:701,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CMO:A:920,invalid,,,,,[C-]#[O+],
,,,CMO:B:920,invalid,,,,,[C-]#[O+],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JWY,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J11:A:800,valid,Ki,=,34500,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,J11:B:800,valid,Ki,=,34500,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4K5I,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1Q7:A:503,valid,Ki,=,15213,nM,Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,1Q7:B:503,valid,Ki,=,15213,nM,Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,5FJ2,,,,,,,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,XEB:B:800,valid,,,,,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:A:800,valid,,,,,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,4CWZ,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW9:B:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW9:A:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4CVG,,,,,,,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1D1W,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ATQ:A:805,valid,Ki,=,0.35,uM,C1CSC(=N1)N,
,,,ATQ:B:801,valid,Ki,=,0.35,uM,C1CSC(=N1)N,
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:891,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:601,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D39,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OLW:B:800,valid,Ki,=,10.5,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,,OLW:A:800,valid,Ki,=,10.5,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,MTL:A:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1ZZS,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:862,invalid,,,,,CC(=O)[O-],
,,,DP9:A:799,valid,Ki,=,5.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,5.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UPS,,,,,,,
,,,6E5:A:800,valid,Ki,=,3.63,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N[H])/c5cccs5,
,,,6E5:B:800,valid,Ki,=,3.63,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N[H])/c5cccs5,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6NH8,,,,,,,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KMS:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,KMS:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,KMS:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,KMS:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,5VV8,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,9P7:B:503,valid,Ki,=,0.092,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:A:503,valid,Ki,=,0.092,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,CAD:B:507,invalid,,,,,C[As](=O)(C)O,
,,4KCQ,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1QF:A:506,valid,Ki,=,41.4,uM,[H]/N=C(c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,1QF:B:503,valid,Ki,=,41.4,uM,[H]/N=C(c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,4JSK,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,QJ2:B:503,valid,Ki,=,979,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,QJ2:A:503,valid,Ki,=,979,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,5ADL,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M85:A:800,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,M85:B:800,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,9NSE,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:601,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ISU:A:800,valid,Ki,=,0.039,uM,[H]/N=C(/N)[Se]CC,
,,,ISU:B:801,valid,Ki,=,0.039,uM,[H]/N=C(/N)[Se]CC,
,,,ISU:B:811,valid,Ki,=,0.039,uM,[H]/N=C(/N)[Se]CC,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3DQS,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:850,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI3:A:800,valid,Ki,=,85.2,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl,
,,,JI3:B:800,valid,Ki,=,85.2,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV9,,,,,,,
,,,9OG:A:503,valid,Ki,=,1.22,uM,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,9OG:B:503,valid,Ki,=,1.22,uM,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4CUN,,,,,,,
,,,WS6:B:800,valid,,,,,CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N,
,,,WS6:A:800,valid,,,,,CC12CCCC(=O)C1=NC3=C(N2)N=C(NC3=O)N,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6NH1,,,,,,,
,,,H4B:B:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:501,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KLY:A:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,KLY:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,KLY:B:504,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,KLY:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:511,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:510,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:510,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,,ZN:B:509,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:C:508,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,1P6N,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:852,invalid,,,,,C[As](=O)(C)[O-],
,,,DP9:A:799,valid,Ki,=,110,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,110,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:882,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,5FVZ,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W67:B:800,valid,Ki,=,16637,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,W67:A:800,valid,Ki,=,16637,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CUM,,,,,,,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,WS7:A:800,valid,,,,,CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N,
,,,WS7:B:800,valid,,,,,CC12CCCCC1=NC3=C(N2)N=C(NC3=O)N,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1D1V,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:700,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:701,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PTU:A:810,valid,,,,,CCSC(=Nc1ccccc1)N,
,,,PTU:B:811,valid,,,,,CCSC(=Nc1ccccc1)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6POW,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OUA:C:504,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:A:503,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:D:503,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:B:503,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:B:502,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:D:502,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,GD:C:501,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6NH5,,,,,,,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:511,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,KLD:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,KLD:D:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,KLD:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,KLD:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:509,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,6AV6,,,,,,,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:510,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:A:508,invalid,,,,,[Gd],
,,,GD:C:508,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:501,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W68:D:503,valid,Ki,=,39505,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,W68:A:502,valid,Ki,=,39505,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,W68:C:503,valid,Ki,=,39505,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,W68:B:504,valid,Ki,=,39505,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,4KCS,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,5H4:B:503,valid,Ki,=,21.7,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F,
,,,5H4:A:503,valid,Ki,=,21.7,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,4K5K,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,Q13:A:503,valid,Ki,=,2542,nM,Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N,
,,,Q13:B:503,valid,Ki,=,2542,nM,Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N,
,,4CWY,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HW1:B:800,valid,Ki,=,26.1,uM,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW1:A:800,valid,Ki,=,26.1,uM,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:1483,Part of Protein,,,,,[Zn+2],
,,3NLG,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSR:A:800,valid,Ki,=,36.19,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSR:B:800,valid,Ki,=,36.19,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NSE,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:800,valid,,,,,CCSC(=N)N,
,,,ITU:B:800,valid,,,,,CCSC(=N)N,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4UPQ,,,,,,,
,,,I5U:B:800,valid,Ki,=,12.44,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(c4cccs4)/N,
,,,I5U:A:800,valid,Ki,=,12.44,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(c4cccs4)/N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6POZ,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:B:506,invalid,,,,,[Gd],
,,,GD:C:508,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:D:505,invalid,,,,,[Gd],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OSD:A:503,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:A:510,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:D:502,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:C:509,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:C:503,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:B:502,valid,Ki,=,20.2,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,1D1Y,,,,,,,
,,,3BT:A:820,valid,,,,,[H]/N=C(N)/SCCc1cccc(c1)CCSC(=N)N,
,,,3BT:B:821,valid,,,,,[H]/N=C(N)/SCCc1cccc(c1)CCSC(=N)N,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,EDO:A:870,invalid,,,,,C(CO)O,
,,,EDO:B:871,invalid,,,,,C(CO)O,
,,,GOL:A:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:891,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,6NH6,,,,,,,
,,,KL7:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,KL7:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,KL7:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,KL7:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:510,invalid,,,,,[Cl-],
,,,ZN:C:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:C:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:D:508,invalid,,,,,[Gd],
,,,GD:C:511,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,1DMK,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1855,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2855,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2870,invalid,,,,,CC(=O)[O-],
,,,AP6:A:1660,valid,,,,,c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2,
,,,AP6:B:2660,valid,,,,,c1ccc(cc1)[C@@H]2CNc3c(c(nc(n3)N)N)N2,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:1800,valid,,,,,CCSC(=N)N,
,,,ITU:B:2800,valid,,,,,CCSC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D37,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,9HL:A:800,valid,Ki,=,4,uM,c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4,
,,,9HL:B:800,valid,Ki,=,4,uM,c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4,
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6AV7,,,,,,,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,W69:A:503,valid,Ki,=,83976,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,W69:C:503,valid,Ki,=,83976,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,W69:D:503,valid,Ki,=,83976,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,W69:B:503,valid,Ki,=,83976,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,4UH7,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,4V4:A:800,valid,Ki,=,20240,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,4V4:B:800,valid,Ki,=,20240,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,4V4:A:801,invalid,Ki,=,20240,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N5P,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:890,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFM:A:800,valid,Ki,=,20000,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C,
,,,XFM:B:800,valid,Ki,=,20000,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,3NLD,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:850,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSS:A:800,valid,Ki,=,26.2,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSS:B:800,valid,Ki,=,26.2,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CX2,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,H2B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,H2B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,HW1:B:800,valid,,,,,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW1:A:800,valid,,,,,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4CAR,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,M87:A:800,valid,Ki,=,0.485,uM,c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N,
,,,M87:B:800,valid,Ki,=,0.485,uM,c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4JSL,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,QJ4:A:503,valid,Ki,=,2154,nM,Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C,
,,,QJ4:B:503,valid,Ki,=,2154,nM,Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,6NSE,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GGB:A:720,valid,,,,,[H]/N=C(N)/NOCC[C@@H](C(=O)O)N,
,,,GGB:B:721,valid,,,,,[H]/N=C(N)/NOCC[C@@H](C(=O)O)N,
,,,GOL:A:885,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:886,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VVB,,,,,,,
,,,GD:A:508,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:508,invalid,,,,,[Gd],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,9P7:B:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:C:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:D:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:A:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,4K5H,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1Q6:B:503,valid,Ki,=,26446,nM,Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C,
,,,1Q6:A:503,valid,Ki,=,26446,nM,Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,4C3A,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,Q16:B:800,valid,Ki,=,6727,nM,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,Q16:A:800,valid,Ki,=,6727,nM,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5UOB,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M4R:A:502,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:A:503,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:C:502,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:502,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:C:503,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:D:503,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:D:502,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:503,valid,Ki,=,16.1,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:511,Part of Protein,,,,,[Zn+2],
,,,CL:D:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:D:508,invalid,,,,,[Gd],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,1M9J,,,,,,,
,,,CLW:A:906,valid,Kd,~,0.6,uM,c1cc2c(cc1Cl)NC(=O)O2,
,,,CLW:B:907,valid,Kd,~,0.6,uM,c1cc2c(cc1Cl)NC(=O)O2,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,1FOL,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,ARG:A:1700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:2700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:1950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2885,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1D0O,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,INE:A:760,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:A:766,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:761,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:765,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV6,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BME:A:507,invalid,,,,,C(CS)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,P64:B:503,valid,Ki,=,1.57,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,,P64:A:503,valid,Ki,=,1.57,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,4JSM,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,QJ7:A:503,valid,Ki,=,10366,nM,Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F,
,,,QJ7:B:505,valid,Ki,=,10366,nM,Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,6NH2,,,,,,,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:511,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:501,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,KMA:B:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:C:510,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:C:504,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:A:509,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:508,invalid,,,,,[Cl-],
,,,H4B:C:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,4UH8,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:B:1483,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,EXI:B:800,valid,Ki,=,12910,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,EXI:A:800,valid,Ki,=,12910,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4CX1,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,H2B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,H2B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW9:B:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW9:A:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1P6L,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:851,invalid,,,,,C[As](=O)(C)[O-],
,,,DP1:A:790,valid,Ki,=,107,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,DP1:B:791,valid,Ki,=,107,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1NSE,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:870,invalid,,,,,CC(=O)[O-],
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:800,valid,,,,,CCSC(=N)N,
,,,ITU:B:800,valid,,,,,CCSC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4KCR,,,,,,,
,,,5H3:B:503,valid,Ki,=,0.9,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F,
,,,5H3:A:503,valid,Ki,=,0.9,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,6NH3,,,,,,,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:510,Part of Protein,,,,,[Zn+2],
,,,ZN:C:512,Part of Protein,,,,,[Zn+2],
,,,KL4:A:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:C:511,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:D:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:C:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:A:509,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:B:801,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:B:803,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:805,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:804,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:808,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GD:C:509,invalid,,,,,[Gd],
,,,GD:B:807,invalid,,,,,[Gd],
,,,GD:D:505,invalid,,,,,[Gd],
,,,GD:A:511,invalid,,,,,[Gd],
,,5VVC,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9OJ:D:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,9OJ:B:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,9OJ:A:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,9OJ:C:503,valid,,,,,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,1ED6,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:1950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:2950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2890,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ILO:A:1765,valid,,,,,CC(=N)NCCC[C@@H](C(=O)O)N,
,,,ILO:B:2765,valid,,,,,CC(=N)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1RS8,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:852,invalid,,,,,C[As](=O)(C)[O-],
,,,DP2:A:792,valid,,,,,C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,DP2:B:793,valid,,,,,C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:882,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6POY,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,OSG:D:503,valid,Ki,=,12.9,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:B:503,valid,Ki,=,12.9,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:A:503,valid,Ki,=,12.9,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:C:503,valid,Ki,=,12.9,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:509,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,6PP1,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,H4B:B:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GD:B:511,invalid,,,,,[Gd],
,,,GD:A:509,invalid,,,,,[Gd],
,,,GD:B:510,invalid,,,,,[Gd],
,,,GD:D:509,invalid,,,,,[Gd],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:D:508,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,OU1:B:504,valid,Ki,=,21,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,OU1:D:504,valid,Ki,=,21,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,OU1:C:503,valid,Ki,=,21,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,OU1:A:503,valid,Ki,=,21,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,3NLI,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRR:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRR:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,7NSE,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,DA2:A:710,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)N(C)C,
,,,DA2:B:711,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)N(C)C,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:891,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:886,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1DM6,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PH3:A:1780,valid,,,,,c1cc(ccc1NC(=N)NO)Cl,
,,,PH3:A:2785,valid,,,,,c1cc(ccc1NC(=N)NO)Cl,
,,,PH3:B:1785,valid,,,,,c1cc(ccc1NC(=N)NO)Cl,
,,,PH3:B:2780,valid,,,,,c1cc(ccc1NC(=N)NO)Cl,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UOA,,,,,,,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,GD:A:508,invalid,,,,,[Gd],
,,,GD:B:510,invalid,,,,,[Gd],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,8EY:A:503,valid,Ki,=,5.63,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:B:503,valid,Ki,=,5.63,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:A:502,valid,Ki,=,5.63,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:B:502,valid,Ki,=,5.63,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,5ADN,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,2SN:B:800,valid,,,,,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,2SN:A:800,valid,,,,,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,EDO:B:870,invalid,,,,,C(CO)O,
,,,EDO:A:870,invalid,,,,,C(CO)O,
,,3N6F,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFJ:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UH9,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,S85:A:800,valid,Ki,=,30238,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC,
,,,S85:B:800,valid,Ki,=,30238,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC,
,,,S85:A:801,invalid,Ki,=,30238,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1DMJ,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,AP4:A:1650,valid,,,,,C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N,
,,,AP4:B:2650,valid,,,,,C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:1800,valid,,,,,CCSC(=N)N,
,,,ITU:B:2800,valid,,,,,CCSC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,2NSE,,,,,,,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1D1X,,,,,,,
,,,4BT:A:830,valid,,,,,[H]/N=C(/N)SCCc1ccc(cc1)CCSC(=N)N,
,,,4BT:B:831,valid,,,,,[H]/N=C(/N)SCCc1ccc(cc1)CCSC(=N)N,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:601,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,6POU,,,,,,,
,,,M16:F:804,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:F:803,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:B:502,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:C:502,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:F:801,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:A:503,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:D:503,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:C:503,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:D:502,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:A:502,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:B:503,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:E:502,valid,Ki,=,23.3,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:E:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:E:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:E:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:F:805,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:F:806,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:D:508,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:508,invalid,,,,,[Gd],
,,,GD:B:509,invalid,,,,,[Gd],
,,,GD:F:807,invalid,,,,,[Gd],
,,,GD:C:509,invalid,,,,,[Gd],
,,,GD:A:507,invalid,,,,,[Gd],
,,,ZN:C:510,Part of Protein,,,,,[Zn+2],
,,,ZN:E:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:509,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:E:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:B:510,Part of Protein,,,,,[Zn+2],
,,,ZN:F:808,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:507,invalid,,,,,C(C(CO)O)O,
,,4LUW,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QJ8:A:503,valid,Kd,=,2.1,uM,Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C,
,,,QJ8:B:503,valid,Kd,=,2.1,uM,Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,3NOS,,,,,,,
,,,H4B:A:511,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1011,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HAR:A:512,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:1012,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:510,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1010,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,6POX,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:511,invalid,,,,,[Gd],
,,,GD:C:509,invalid,,,,,[Gd],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OSJ:D:503,valid,Ki,=,18.2,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSJ:B:503,valid,Ki,=,18.2,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSJ:A:503,valid,Ki,=,18.2,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSJ:C:503,valid,Ki,=,18.2,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,3EAH,,,,,,,
,,,327:A:864,valid,ic50,=,0.04,uM,[H]/N=C/1c2c(ccs2)OC[C@@H](N1)CCC,
,,,327:B:1864,valid,ic50,=,0.04,uM,[H]/N=C/1c2c(ccs2)OC[C@@H](N1)CCC,
,,,CL:A:1865,invalid,,,,,[Cl-],
,,,CL:B:865,invalid,,,,,[Cl-],
,,,HEC:A:861,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:1861,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MPD:A:1866,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1867,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:866,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:867,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:862,Part of Protein,,,,,[Zn+2],
,,6NHF,,,,,,,
,,,KNV:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,KNV:A:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,KNV:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,KNV:C:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,4D35,,,,,,,
,,,4E8:B:800,valid,Ki,=,4,uM,c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3,
,,,4E8:A:800,valid,Ki,=,4,uM,c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6NH4,,,,,,,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:513,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:C:501,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:C:512,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CL:C:511,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:C:510,invalid,,,,,[Cl-],
,,,KLA:D:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:A:502,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:B:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:A:509,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:D:503,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:C:504,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,H4B:C:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:501,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,1D0C,,,,,,,
,,,ACT:A:850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:851,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:951,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,INE:A:760,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:A:766,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:761,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:765,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CWV,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW8:A:800,valid,Ki,=,148.9,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,HW8:B:800,valid,Ki,=,148.9,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4K5J,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,Q14:A:503,valid,Ki,=,20196,nM,Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,Q14:B:503,valid,Ki,=,20196,nM,Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,1P6M,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:852,invalid,,,,,C[As](=O)(C)[O-],
,,,DP3:A:793,valid,Ki,=,80,uM,C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-],
,,,DP3:B:794,valid,Ki,=,80,uM,C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:882,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,5UO8,,,,,,,
,,,GD:A:508,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:B:506,invalid,,,,,[Gd],
,,,GD:C:508,invalid,,,,,[Gd],
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8EV:D:503,valid,Ki,=,12.3,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,8EV:B:503,valid,Ki,=,12.3,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,8EV:A:503,valid,Ki,=,12.3,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,8EV:C:503,valid,Ki,=,12.3,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,4CUL,,,,,,,
,,,WSD:A:800,valid,,,,,CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N,
,,,WSD:B:800,valid,,,,,CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3A,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,7F5:A:800,valid,Ki,=,15.4,uM,Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F,
,,,7F5:B:800,valid,Ki,=,15.4,uM,Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5UOD,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8EY:B:503,valid,,,,,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:A:503,valid,,,,,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,5VVG,,,,,,,
,,,9PM:A:503,valid,Ki,=,0.115,uM,c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N,
,,,9PM:B:503,valid,Ki,=,0.115,uM,c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,6PP2,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OUM:C:503,valid,Ki,=,8.31,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,,OUM:D:503,valid,Ki,=,8.31,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,,OUM:B:503,valid,Ki,=,8.31,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,,OUM:A:503,valid,Ki,=,8.31,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:D:508,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,1FOO,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,ARG:A:1700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:2700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CAC:A:1950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:2950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2890,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:1910,invalid,,,,,[N]=O,
,,,NO:B:2910,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1M9Q,,,,,,,
,,,5NI:A:907,valid,,,,,c1cc2c(cc1[N+](=O)[O-])cn[nH]2,
,,,5NI:B:906,valid,,,,,c1cc2c(cc1[N+](=O)[O-])cn[nH]2,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPA:A:602,invalid,,,,,CC(C)O,
,,,IPA:B:600,invalid,,,,,CC(C)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:605,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,3PNH,,,,,,,
,,,8CX:A:800,valid,Ki,=,19,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F,
,,,8CX:B:800,valid,Ki,=,19,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D1O,,,,,,,
,,,H4B:A:1481,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1481,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,GOL:A:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,GD:B:1482,invalid,,,,,[Gd],
,,,GD:A:1482,invalid,,,,,[Gd],
,,,ARG:B:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:700,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BTB:B:871,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:871,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:870,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:870,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,4D38,,,,,,,
,,,L5Z:A:800,valid,Ki,=,10.32,uM,c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4,
,,,L5Z:B:800,valid,Ki,=,10.32,uM,c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5FJ3,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,XEB:B:800,valid,Ki,=,12.5,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:A:800,valid,Ki,=,12.5,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,EDO:B:870,invalid,,,,,C(CO)O,
,,,EDO:A:870,invalid,,,,,C(CO)O,
,,5VVN,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P94:B:503,valid,Ki,=,0.581,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,P94:A:503,valid,Ki,=,0.581,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,6PP3,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:510,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OS7:C:503,valid,Ki,=,23.7,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,OS7:A:503,valid,Ki,=,23.7,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,OS7:D:503,valid,Ki,=,23.7,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,OS7:B:503,valid,Ki,=,23.7,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,GD:B:511,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,1DM8,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:1600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TZC:A:1790,valid,,,,,c1ncn(n1)C(=[NH2+])N,
,,,TZC:B:2790,valid,,,,,c1ncn(n1)C(=[NH2+])N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UOC,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:511,Part of Protein,,,,,[Zn+2],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8FD:C:503,valid,Ki,=,22.2,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:D:503,valid,Ki,=,22.2,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:B:503,valid,Ki,=,22.2,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:A:503,valid,Ki,=,22.2,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,4D33,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,BME:A:960,invalid,,,,,C(CS)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,6J0:A:800,valid,Ki,=,40,uM,c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3,
,,,6J0:B:800,valid,Ki,=,40,uM,c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,MTL:A:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2HX2,,,,,,,
,,,3HX:A:793,valid,Ki,=,73,uM,[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)N[N+](=O)[O-],
,,,3HX:B:793,valid,Ki,=,73,uM,[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)N[N+](=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:850,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1I83,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2890,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NTU:A:840,valid,,,,,CS/C(=NCCCCCCCCCCCCCCN=C(N)SC)/N,
,,,NTU:B:840,valid,,,,,CS/C(=NCCCCCCCCCCCCCCN=C(N)SC)/N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV7,,,,,,,
,,,XH8:B:503,valid,Ki,=,1.04,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,XH8:A:503,valid,Ki,=,1.04,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,4KCP,,,,,,,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H44:A:503,valid,Ki,=,2.7,uM,[H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,H44:B:503,valid,Ki,=,2.7,uM,[H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,1RS9,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CAC:A:850,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:852,invalid,,,,,C[As](=O)(C)[O-],
,,,D7P:A:797,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,D7P:B:798,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:882,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4UPT,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,PQW:B:800,valid,Ki,=,3.34,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N,
,,,PQW:A:800,valid,Ki,=,3.34,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N,
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4CX0,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,Q16:B:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,Q16:A:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1M9M,,,,,,,
,,,6NI:A:906,valid,,,,,c1cc2cn[nH]c2cc1[N+](=O)[O-],
,,,6NI:B:907,valid,,,,,c1cc2cn[nH]c2cc1[N+](=O)[O-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPA:A:602,invalid,,,,,CC(C)O,
,,,IPA:B:600,invalid,,,,,CC(C)O,
,,,IPA:B:601,invalid,,,,,CC(C)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:605,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,3JWX,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI5:A:800,valid,Ki,=,20300,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,JI5:B:800,valid,Ki,=,20300,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CTZ,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,S7K:B:800,valid,Ki,=,328000,nM,Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,S7K:A:800,valid,Ki,=,328000,nM,Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6PP4,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:C:501,invalid,,,,,[Gd],
,,,GD:B:507,invalid,,,,,[Gd],
,,,GD:D:506,invalid,,,,,[Gd],
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,OUS:C:504,valid,Ki,=,7.73,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:D:503,valid,Ki,=,7.73,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:A:504,valid,Ki,=,7.73,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:B:503,valid,Ki,=,7.73,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,5ADK,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,7M3:B:800,valid,,,,,CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,7M3:A:800,valid,,,,,CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N5S,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFK:A:800,valid,Ki,=,16100,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:B:800,valid,Ki,=,16100,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1ZZT,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP9:A:799,valid,Ki,=,1.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,1.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:700,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JWW,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI4:A:800,valid,Ki,=,26400,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,JI4:B:800,valid,Ki,=,26400,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CTY,,,,,,,
,,,S5D:A:800,valid,Ki,=,14390,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N,
,,,S5D:B:800,valid,Ki,=,14390,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,GOL:A:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5ADJ,,,,,,,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,M94:B:800,valid,,,,,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,M94:A:800,valid,,,,,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PP0,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OUP:C:503,valid,Ki,=,22.8,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,OUP:A:503,valid,Ki,=,22.8,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,OUP:D:503,valid,Ki,=,22.8,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,OUP:B:503,valid,Ki,=,22.8,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,3N6G,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFK:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLE,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRR:A:800,valid,Ki,=,19.2,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRR:B:800,valid,Ki,=,19.2,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,8NSE,,,,,,,
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:601,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NRG:A:705,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,NRG:B:706,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6CIE,,,,,,,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,7R2:C:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,,7R2:D:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,,7R2:B:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,,7R2:A:503,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:509,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,H4B:C:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GD:C:510,invalid,,,,,[Gd],
,,,GD:A:510,invalid,,,,,[Gd],
,,,GD:D:507,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:507,Part of Protein,,,,,[Zn+2],
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,6POV,,,,,,,
,,,BTB:A:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:505,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:508,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,ACT:C:509,invalid,,,,,CC(=O)[O-],
,,,ACT:D:504,invalid,,,,,CC(=O)[O-],
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GD:C:501,invalid,,,,,[Gd],
,,,GD:B:508,invalid,,,,,[Gd],
,,,GD:A:511,invalid,,,,,[Gd],
,,,GD:D:509,invalid,,,,,[Gd],
,,,H4B:D:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:503,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:502,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OUG:D:503,valid,Ki,=,52.6,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,OUG:B:503,valid,Ki,=,52.6,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,OUG:C:504,valid,Ki,=,52.6,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,OUG:A:503,valid,Ki,=,52.6,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:C:508,Part of Protein,,,,,[Zn+2],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,1DMI,,,,,,,
,,,ACT:A:1850,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2850,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,BHS:A:1610,valid,,,,,C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,BHS:B:2610,valid,,,,,C[C@H]([C@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CAC:A:950,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:950,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:1880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:1800,valid,,,,,CCSC(=N)N,
,,,ITU:B:2800,valid,,,,,CCSC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLH,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CAD:A:950,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:950,invalid,,,,,C[As](=O)(C)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSS:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSS:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CWX,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW0:B:800,valid,Ki,=,33.5,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N,
,,,HW0:A:800,valid,Ki,=,33.5,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N,
,,,CAS:B:950,invalid,,,,,C[As](C)SC[C@@H](C(=O)O)N,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:1483,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2ORO,,,,,,,
,,,228:A:601,valid,ic50,=,0.29,nM,Cc1cc(nc(n1)n2ccnc2)N3CCC[C@@H]3C(=O)NCCc4ccc5c(c4)OCO5,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO3:A:602,invalid,,,,,[O-]S(=O)[O-],
,,1DWV,,,,,,,
,,,4AB:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O,
,,,4AB:B:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNc2c(c(nc(n2)N)N)N1)O)O,
,,,HAR:A:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,2ORS,,,,,,,
,,,391:A:601,valid,,,,,Cc1cc(nc(n1)Oc2ccc(cc2)n3ccnc3)Oc4ccc5c(c4)OCO5,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1M8D,,,,,,,
,,,BOG:B:3000,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CLW:A:906,valid,Kd,~,4.3,uM,c1cc2c(cc1Cl)NC(=O)O2,
,,,CLW:B:907,valid,Kd,~,4.3,uM,c1cc2c(cc1Cl)NC(=O)O2,
,,,EDO:B:3102,invalid,,,,,C(CO)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:903,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DF1,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:899,valid,,,,,CCSC(=N)N,
,,,ITU:B:1899,valid,,,,,CCSC(=N)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,2NOS,,,,,,,
,,,AGU:A:903,valid,,,,,C(=N)(N)NN,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:902,invalid,,,,,c1c[nH+]c[nH]1,
,,1R35,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,I58:A:800,valid,ic50,=,6.09,uM,[H]/N=C(/C)NCC[C@H](C[C@@H](C(=O)O)N)F,
,,,I58:B:1800,valid,ic50,=,6.09,uM,[H]/N=C(/C)NCC[C@H](C[C@@H](C(=O)O)N)F,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ORR,,,,,,,
,,,333:A:601,valid,,,,,c1cc(ccc1n2ccnc2)Oc3nccc(n3)Oc4ccc5c(c4)OCO5,
,,,EDO:A:1602,invalid,,,,,C(CO)O,
,,,EDO:A:1603,invalid,,,,,C(CO)O,
,,,EDO:A:1604,invalid,,,,,C(CO)O,
,,,EDO:A:1605,invalid,,,,,C(CO)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1DD7,,,,,,,
,,,1PM:A:601,valid,ic50,=,28,nM,COC(=O)N1CCN([C@H](C1)CC(=O)NCc2ccc3c(c2)OCO3)c4ccnc(n4)n5ccnc5,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO3:A:602,invalid,,,,,[O-]S(=O)[O-],
,,3NQS,,,,,,,
,,,AT2:A:906,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:B:907,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,BOG:B:979,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:976,invalid,,,,,C(CO)O,
,,,EDO:A:977,invalid,,,,,C(CO)O,
,,,EDO:B:978,invalid,,,,,C(CO)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,H4B NO:A:902,valid,,,,,[O+]#[N+][N+]=1C(C(O)C(O)C)CN=C2N=C(N)NC(=O)C=12,
,,,H4B NO:B:952,valid,,,,,[O+]#[N+][N+]=1C(C(O)C(O)C)CN=C2N=C(N)NC(=O)C=12,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:980,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:981,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:982,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:983,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:984,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EAI,,,,,,,
,,,328:A:905,valid,ic50,=,0.074,uM,COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N,
,,,328:B:2905,valid,ic50,=,0.074,uM,COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N2N,,,,,,,
,,,ARG:A:902,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1902,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CYN:A:903,invalid,,,,,[C-]#N,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,,ZN:B:950,Part of Protein,,,,,[Zn+2],
,,1M9T,,,,,,,
,,,BOG:B:3100,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:3000,invalid,,,,,C(CO)O,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:903,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,INE:A:906,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:907,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,2ORP,,,,,,,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,R86:A:601,valid,ic50,=,1.9,nM,Cc1cc(nc(n1)n2ccnc2)N3CCN([C@@H](C3)CC(=O)NCCc4ccc(cc4)OC)C(=O)C(C)C,
,,3EBF,,,,,,,
,,,332:A:903,valid,ic50,=,0.4,uM,c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2,
,,,332:B:2903,valid,ic50,=,0.4,uM,c1cc2c(cc1OC[C@@H]3COc4ccsc4C(=N3)N)CNCC2,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QW4,,,,,,,
,,,3AR:A:902,valid,,,,,CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,3AR:B:904,valid,,,,,CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:903,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,,ZN:B:950,Part of Protein,,,,,[Zn+2],
,,1JWK,,,,,,,
,,,BOG:A:3000,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:3100,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:3102,invalid,,,,,C(CO)O,
,,,EDO:B:3103,invalid,,,,,C(CO)O,
,,,GOL:A:3101,invalid,,,,,C(C(CO)O)O,
,,,HBI:A:802,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:902,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2ORQ,,,,,,,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MR1:A:602,valid,,,,,c1cc2c(cc1CN)OCO2,
,,,MSR:A:601,valid,,,,,c1cc(ccc1n2ccnc2)O,
,,3E6N,,,,,,,
,,,AS3:A:903,valid,ic50,=,0.015,uM,CCCc1cc(cc(n1)N)C,
,,,AS3:B:903,valid,ic50,=,0.015,uM,CCCc1cc(cc(n1)N)C,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3E65,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XXZ:A:906,valid,ic50,=,0.13,uM,c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N,
,,,XXZ:B:907,valid,ic50,=,0.13,uM,c1cc2c(c(c1)F)C(=NC3(N2)CCN(CC3)C(=O)c4ccc(cc4)CN)N,
,,3E6T,,,,,,,
,,,1A2:A:905,valid,ic50,=,1.2,uM,CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F,
,,,1A2:B:905,valid,ic50,=,1.2,uM,CCN1c2c(ccc(c2C(=NC13CCN(CC3)C(=O)C4=CN=C(CC4)C#N)N)F)F,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3E7M,,,,,,,
,,,AT2:A:906,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:B:1906,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,EDO:A:5001,invalid,,,,,C(CO)O,
,,,EDO:A:5002,invalid,,,,,C(CO)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1900,Part of Protein,,,,,[Zn+2],
,,1DWW,,,,,,,
,,,H2B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,H2B:B:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,HAR:A:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,3E68,,,,,,,
,,,AT6:A:905,valid,ic50,=,0.12,uM,Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N,
,,,AT6:B:1905,valid,ic50,=,0.12,uM,Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N,
,,,BOG:A:3100,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:4100,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:3101,invalid,,,,,C(CO)O,
,,,EDO:A:3102,invalid,,,,,C(CO)O,
,,,EDO:A:3104,invalid,,,,,C(CO)O,
,,,EDO:B:4101,invalid,,,,,C(CO)O,
,,,EDO:B:4102,invalid,,,,,C(CO)O,
,,,EDO:B:4104,invalid,,,,,C(CO)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3E6L,,,,,,,
,,,A11:A:906,valid,ic50,=,0.72,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl,
,,,A11:B:1906,valid,ic50,=,0.72,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)Cl,
,,,BOG:A:4001,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:4002,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EBD,,,,,,,
,,,329:A:903,valid,ic50,=,0.04,uM,C[C@H]1CN=C(c2c(ccs2)O1)N,
,,,329:B:2903,valid,ic50,=,0.04,uM,C[C@H]1CN=C(c2c(ccs2)O1)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ORT,,,,,,,
,,,342:A:601,valid,,,,,c1cc(ccc1n2ccnc2)O[C@H]3CCC[N@@](C3)Cc4ccc5c(c4)OCO5,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,4KCL,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H44:B:803,valid,Ki,=,0.005,uM,[H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,H44:A:803,valid,Ki,=,0.005,uM,[H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,5UNZ,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,M4R:A:803,valid,Ki,=,0.061,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:803,valid,Ki,=,0.061,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4UGZ,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,4V4:A:800,valid,Ki,=,130,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,4V4:B:800,valid,Ki,=,130,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUV,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W79:B:803,valid,Ki,=,47,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC,
,,,W79:A:803,valid,Ki,=,47,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,3NLP,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:719,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSS:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSS:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4JSE,,,,,,,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,ZN:A:809,Part of Protein,,,,,[Zn+2],
,,,CL:A:808,invalid,,,,,[Cl-],
,,,CL:B:808,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,CL:B:807,invalid,,,,,[Cl-],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QJ2:B:805,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,QJ2:A:803,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,QJ2:B:803,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,QJ2:A:805,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCCCCc2cc(cc(n2)N)C,
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:804,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6AV1,,,,,,,
,,,W69:B:803,valid,Ki,=,30,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,W69:A:803,valid,Ki,=,30,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,1ZZR,,,,,,,
,,,DP9:A:799,valid,Ki,=,42,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,42,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TFA:A:865,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,TFA:B:866,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PO7,,,,,,,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OU1:B:803,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,OU1:A:803,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,3NLW,,,,,,,
,,,3XF:A:800,valid,Ki,=,2.7,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F,
,,,3XF:B:800,valid,Ki,=,2.7,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC([C@H]3CCCCN3)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CTX,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,71S:B:800,valid,Ki,=,70,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,71S:A:800,valid,Ki,=,70,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:721,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4D7O,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,0GD:A:800,valid,Ki,=,525,nM,Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F,
,,,0GD:B:800,valid,Ki,=,525,nM,Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4CAQ,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M68:A:800,valid,Ki,=,0.066,uM,c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N,
,,,M68:B:800,valid,Ki,=,0.066,uM,c1cc(cc(c1)Cl)CCNCCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3N5Y,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFL:A:800,valid,Ki,=,99,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C,
,,,XFL:B:800,valid,Ki,=,99,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(cc(n3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UNS,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8J4:B:803,valid,Ki,=,0.054,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,8J4:A:803,valid,Ki,=,0.054,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,5FVW,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W66:A:800,valid,Ki,=,13,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC,
,,,W66:B:800,valid,Ki,=,13,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGP,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KKY:A:803,valid,Ki,=,33,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C,
,,,KKY:B:803,valid,Ki,=,33,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3C,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6NGL,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KMA:B:803,valid,Ki,=,31,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:A:803,valid,Ki,=,31,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,5VUT,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9OG:A:803,valid,Ki,=,0.019,uM,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,,9OG:B:803,valid,Ki,=,0.019,uM,Cc1cc(nc2c1ccc(c2)CNCCc3ccc(cc3)C#N)N,
,,2HX3,,,,,,,
,,,3HX:A:793,valid,Ki,=,0.12,uM,[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)N[N+](=O)[O-],
,,,3HX:B:793,valid,Ki,=,0.12,uM,[H]/N=C(/NCCC[C@@H](CN(CCN)O)N)N[N+](=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JX3,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI5:A:800,valid,Ki,=,180,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,JI5:B:800,valid,Ki,=,180,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UPN,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,7LN:A:800,valid,Ki,=,0.0147,uM,c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(c4cccs4)/N,
,,,7LN:B:800,valid,Ki,=,0.0147,uM,c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(c4cccs4)/N,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5ADI,,,,,,,
,,,TUE:B:800,valid,Ki,=,0.507,uM,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,,TUE:B:801,invalid,Ki,=,0.507,uM,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,,TUE:A:800,valid,Ki,=,0.507,uM,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4KCN,,,,,,,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,MTL:B:805,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:806,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:A:804,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,5H3:B:803,valid,Ki,=,0.011,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F,
,,,5H3:A:805,valid,Ki,=,0.011,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CNCCc3cccc(c3)F,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,1LZX,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HAR:A:770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:1770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1MMW,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:1750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VIO:A:1780,valid,,,,,CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,VIO:B:2780,valid,,,,,CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AV4,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W80:B:803,valid,Ki,=,100,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC,
,,,W80:A:803,valid,Ki,=,100,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,5VUY,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P64:A:803,valid,Ki,=,0.274,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,,P64:B:803,valid,Ki,=,0.274,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4UH4,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,Q1T:B:800,valid,Ki,=,24,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,,Q1T:A:800,valid,Ki,=,24,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,4CX4,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,HW9:A:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW9:B:800,valid,,,,,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,3JT6,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM6:A:800,valid,Ki,=,32,uM,[H]/N=C(/CCCSC)NCCC[C@@H](C(=O)O)N,
,,,JM6:B:800,valid,Ki,=,32,uM,[H]/N=C(/CCCSC)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UNY,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M4R:A:803,valid,Ki,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:803,valid,Ki,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,8FD:B:804,valid,Kd,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:A:804,valid,Kd,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,6PNA,,,,,,,
,,,M16:B:803,valid,Ki,=,0.122,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:A:803,valid,Ki,=,0.122,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,3JX1,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI5:A:800,valid,Ki,=,290,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,JI5:B:800,valid,Ki,=,290,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLM,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRR:A:800,valid,Ki,=,7.2,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRR:B:800,valid,Ki,=,7.2,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CAM,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M87:A:800,valid,Ki,=,0.075,uM,c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N,
,,,M87:B:800,valid,Ki,=,0.075,uM,c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N,
,,1OM5,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,INE:A:790,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,INE:B:791,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D31,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OLW:B:800,valid,Ki,=,0.183,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,,OLW:A:800,valid,Ki,=,0.183,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,5AD8,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,9M9:A:800,valid,Ki,=,0.16,uM,c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN,
,,,9M9:B:800,valid,Ki,=,0.16,uM,c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,6NGU,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KMJ:A:803,valid,Ki,=,79,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F,
,,,KMJ:B:803,valid,Ki,=,79,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,5UNU,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8EY:A:804,valid,Ki,=,0.033,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:B:803,valid,Ki,=,0.033,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,3UFT,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW7:A:800,valid,Ki,=,0.117,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F,
,,,HW7:B:800,valid,Ki,=,0.117,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCOc3cc(cc(c3)Cl)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N63,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,CL:B:930,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,3TYL,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,AXW:A:800,valid,Ki,=,0.41,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F,
,,,AXW:B:800,valid,Ki,=,0.41,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3F,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4EUX,,,,,,,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW1:A:803,valid,Ki,=,0.038,uM,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW1:B:804,valid,Ki,=,0.038,uM,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,1QWC,,,,,,,
,,,14W:A:902,valid,,,,,[H]/N=C(/C)NCc1cccc(c1)CN,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,4IMT,,,,,,,
,,,1EW:A:803,valid,Ki,=,0.11,uM,Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,1EW:B:804,valid,Ki,=,0.11,uM,Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6PN5,,,,,,,
,,,OS7:A:803,valid,Ki,=,0.052,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,OS7:B:803,valid,Ki,=,0.052,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ZN:B:808,Part of Protein,,,,,[Zn+2],
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,3JTA,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM6:A:800,valid,Ki,=,32,uM,[H]/N=C(/CCCSC)NCCC[C@@H](C(=O)O)N,
,,,JM6:B:800,valid,Ki,=,32,uM,[H]/N=C(/CCCSC)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3Q99,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM8:A:800,valid,,,,,[H]/N=C(CCSCC)/NCCC[C@@H](C(=O)O)N,
,,,JM8:B:800,valid,,,,,[H]/N=C(CCSCC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NG1,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KLY:B:803,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,KLY:A:803,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,3DQR,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI2:A:800,valid,Ki,=,0.388,uM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN,
,,,JI2:B:800,valid,Ki,=,0.388,uM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,5VV4,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9P7:A:803,valid,Ki,=,0.02,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:B:803,valid,Ki,=,0.02,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,3B3M,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI1:A:800,valid,Ki,=,47.94,uM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO,
,,,JI1:B:800,valid,Ki,=,47.94,uM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCCO,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PO9,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,OS7:B:804,valid,Ki,=,0.076,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,OS7:A:803,valid,Ki,=,0.076,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccccn4)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,5G0O,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,W64:B:800,valid,Ki,=,748,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,W64:A:800,valid,Ki,=,748,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUR,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,W68:A:803,valid,Ki,=,41,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,W68:B:803,valid,Ki,=,41,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,4K5F,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q14:A:804,valid,Ki,=,232,nM,Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,Q14:B:803,valid,Ki,=,232,nM,Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,5FVO,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,D8H:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)NCCCOC,
,,3JT7,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM5:A:800,valid,Ki,=,59,uM,[H]/N=C(/CSCCC)NCCC[C@@H](C(=O)O)N,
,,,JM5:B:800,valid,Ki,=,59,uM,[H]/N=C(/CSCCC)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGB,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KMJ:A:803,valid,Ki,=,157,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F,
,,,KMJ:B:803,valid,Ki,=,157,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C)F,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,5AD5,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M94:B:800,valid,Ki,=,0.332,uM,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,M94:A:800,valid,Ki,=,0.332,uM,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUW,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W80:B:803,valid,Ki,=,57,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC,
,,,W80:A:803,valid,Ki,=,57,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3ccc(cc3)CNC,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,4K5E,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1Q7:A:803,valid,Ki,=,32,nM,Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,1Q7:B:803,valid,Ki,=,32,nM,Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,6AV2,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BY7:B:803,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C,
,,,BY7:A:803,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4JSF,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,QJ4:B:803,valid,Ki,=,86,nM,Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C,
,,,QJ4:A:803,valid,Ki,=,86,nM,Cc1cc(nc(c1)N)CCCCCCCc2cc(cc(n2)N)C,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,1M00,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,BHH:A:831,valid,,,,,CCCCNC(=N)NO,
,,,BHH:B:1831,valid,,,,,CCCCNC(=N)NO,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGX,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KMV:B:803,valid,Ki,=,27,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC,
,,,KMV:A:803,valid,Ki,=,27,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,3JWU,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J11:A:800,valid,Ki,=,171,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,J11:B:800,valid,Ki,=,171,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5FVQ,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,W64:B:800,valid,Ki,=,43,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,W64:A:800,valid,Ki,=,43,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,3UFU,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW8:A:800,valid,Ki,=,0.074,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,HW8:B:800,valid,Ki,=,0.074,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV1,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9OS:A:803,valid,Ki,=,0.073,uM,COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,9OS:B:803,valid,Ki,=,0.073,uM,COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,1ZVI,,,,,,,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,5VUV,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M62:A:803,valid,Ki,=,0.768,uM,c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N,
,,,M62:B:803,valid,Ki,=,0.768,uM,c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,3NLN,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRS:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRS:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1OM4,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3B3P,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI7:A:800,valid,Ki,=,0.25,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl,
,,,JI7:B:800,valid,Ki,=,0.25,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCc3cccc(c3)Cl,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N5V,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFH:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C,
,,,XFH:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cccc(c2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CTW,,,,,,,
,,,ZN:A:1721,Part of Protein,,,,,[Zn+2],
,,,ACT:B:1722,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1720,invalid,,,,,CC(=O)[O-],
,,,HEM:A:1717,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1719,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,S71:A:1719,valid,Ki,=,24,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,S71:B:1721,valid,Ki,=,24,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,H4B:A:1718,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1720,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4CTP,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,2IK:B:800,valid,Ki,=,144,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,2IK:A:800,valid,Ki,=,144,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6PNB,,,,,,,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OSY:B:803,valid,Ki,=,0.088,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N,
,,,OSY:A:803,valid,Ki,=,0.088,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,4CTT,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,S7K:B:800,valid,Ki,=,903,nM,Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,S7K:A:800,valid,Ki,=,903,nM,Cc1ccnc(c1)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4FVW,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1KJ:B:803,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/NOC,
,,,1KJ:A:803,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/NOC,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,6AV5,,,,,,,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,W82:B:804,valid,Ki,=,83,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC,
,,,W82:A:803,valid,Ki,=,83,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3HSO,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HAR:A:770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:1770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:752,invalid,,,,,[N]=O,
,,,NO:B:752,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6CIC,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,7R2:B:803,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,,7R2:A:803,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)CCCN3CCN(C)CC,
,,6NGS,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KL1:B:803,valid,Ki,=,19,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C,
,,,KL1:A:803,valid,Ki,=,19,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,5ADB,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,XEB:B:800,valid,Kd,=,0.058,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:A:800,valid,Kd,=,0.058,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,4CTR,,,,,,,
,,,S20:A:800,valid,Ki,=,70,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O,
,,,S20:B:800,valid,Ki,=,70,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)N)C)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,1LZZ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IHG:A:830,valid,,,,,CC(C)NC(=N)NO,
,,,IHG:B:1830,valid,,,,,CC(C)NC(=N)NO,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3TYN,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CXW:A:800,valid,Ki,=,0.39,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O,
,,,CXW:B:800,valid,Ki,=,0.39,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4KCM,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,BR:B:804,invalid,,,,,[Br-],
,,,BR:A:804,invalid,,,,,[Br-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1QF:A:803,valid,Ki,=,0.049,uM,[H]/N=C(c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,1QF:B:803,valid,Ki,=,0.049,uM,[H]/N=C(c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6NG4,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KMA:B:803,valid,Ki,=,68,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,KMA:A:804,valid,Ki,=,68,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,6NHB,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,KNS:A:803,valid,Ki,=,55,nM,CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C,
,,,KNS:B:804,valid,Ki,=,55,nM,CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C,
,,3UFR,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H5W:A:800,valid,Ki,=,0.637,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F,
,,,H5W:B:800,valid,Ki,=,0.637,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCC/C=C/c3cccc(c3)F,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4K5D,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,1Q6:A:804,valid,Ki,=,382,nM,Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C,
,,,1Q6:B:804,valid,Ki,=,382,nM,Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3B3N,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI2:A:800,valid,Ki,=,388,nM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN,
,,,JI2:B:800,valid,Ki,=,388,nM,c1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCN,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5AGN,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,4JK:B:800,valid,Ki,=,1.5,uM,[H]/N=C(CO)/NCCC[C@@H](C(=O)O)N,
,,,4JK:A:800,valid,Ki,=,1.5,uM,[H]/N=C(CO)/NCCC[C@@H](C(=O)O)N,
,,4UH6,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:B:780,invalid,,,,,[Cl-],
,,,CL:A:780,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,Q1T:B:800,valid,Ki,=,55,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,,Q1T:A:800,valid,Ki,=,55,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,5UNX,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,8F1:A:803,valid,Ki,=,0.042,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N,
,,,8F1:B:803,valid,Ki,=,0.042,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3JWT,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI5:A:800,valid,Ki,=,5.3,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,JI5:B:800,valid,Ki,=,5.3,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JX5,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J14:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,J14:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NNY,,,,,,,
,,,59R:A:800,valid,Ki,=,50,nM,c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N,
,,,59R:B:800,valid,Ki,=,50,nM,c1cc(cc(c1)F)CCNCCO[C@H]2CNC[C@H]2Cc3cccc(n3)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PMV,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,M16:B:803,valid,Ki,=,0.105,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,M16:A:803,valid,Ki,=,0.105,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CCN)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,4CTV,,,,,,,
,,,ZN:A:1721,Part of Protein,,,,,[Zn+2],
,,,ACT:B:1722,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1720,invalid,,,,,CC(=O)[O-],
,,,HEM:A:1717,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1719,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7S7:A:1719,valid,Ki,=,123,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,7S7:B:1721,valid,Ki,=,123,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,H4B:A:1718,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1720,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,2G6K,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:910,invalid,,,,,[N]=O,
,,,NO:B:910,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1VAG,,,,,,,
,,,ARR:A:902,valid,,,,,[H]/N=C(/c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,4UCH,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,OLW:B:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,,OLW:A:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)C#N)CNCCc2ccnc(n2)n3ccnc3,
,,3N5X,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFK:A:800,valid,Ki,=,103,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:A:805,valid,Ki,=,103,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:B:800,valid,Ki,=,103,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,XFK:B:805,valid,Ki,=,103,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,5VV3,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P94:A:803,valid,Ki,=,0.032,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,P94:B:803,valid,Ki,=,0.032,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,5VUM,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,XH8:B:803,valid,Ki,=,0.038,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,XH8:A:803,valid,Ki,=,0.038,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,6NGJ,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KLY:B:803,valid,Ki,=,32,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,,KLY:A:803,valid,Ki,=,32,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC,
,,6NGN,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KL4:A:803,valid,Ki,=,28,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:B:803,valid,Ki,=,28,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,6CID,,,,,,,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,F2J:B:804,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,F2J:A:803,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc3c(c2)ccn3C4CCNCC4,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,6AUS,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BYV:A:804,valid,Ki,=,252,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC,
,,,BYV:B:801,valid,Ki,=,252,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC,
,,3NLK,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSS:A:800,valid,Ki,=,116,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSS:B:800,valid,Ki,=,116,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N61,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:911,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,CL:B:911,invalid,,,,,[Cl-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFJ:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,5UO6,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M4R:A:803,valid,Ki,=,0.065,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:803,valid,Ki,=,0.065,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,4FVX,,,,,,,
,,,TFA:B:804,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,TFA:A:804,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,2KJ:B:803,valid,Ki,=,26,uM,[H]/N=C(NCCC[C@@H](C(=O)O)N)/NOCC,
,,,2KJ:A:803,valid,Ki,=,26,uM,[H]/N=C(NCCC[C@@H](C(=O)O)N)/NOCC,
,,1P6J,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP9:A:799,valid,Ki,=,0.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,0.1,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4JSG,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q10:B:803,valid,Ki,=,60,nM,Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN,
,,,Q10:A:804,valid,Ki,=,60,nM,Cc1cc(nc(c1)N)COc2cccc(c2)OCCCN,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,6PNC,,,,,,,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OUG:A:803,valid,Ki,=,0.06,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,OUG:B:803,valid,Ki,=,0.06,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,4GQE,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,6KJ:B:803,valid,Ki,=,7.4,mM,[H]/N=C(NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N,
,,,6KJ:A:804,valid,Ki,=,7.4,mM,[H]/N=C(NOC(C)(C)C)/N=C/CC[C@@H](C(=O)O)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,4IMU,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ZN:B:804,Part of Protein,,,,,[Zn+2],
,,,CL:A:808,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:B:805,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:809,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,1ET:A:803,valid,Ki,=,0.053,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C,
,,,1ET:B:802,valid,Ki,=,0.053,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3N65,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:B:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,XFJ:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:719,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:805,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,5VUI,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M62:A:803,valid,Ki,=,0.575,uM,c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N,
,,,M62:B:803,valid,Ki,=,0.575,uM,c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N,
,,2G6H,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4D1N,,,,,,,
,,,GOL:D:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:882,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:880,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:C:900,Part of Protein,,,,,[Zn+2],
,,,HEM:D:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6NHD,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KNV:B:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,KNV:A:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6NGE,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,KMV:B:804,valid,Ki,=,43,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC,
,,,KMV:A:803,valid,Ki,=,43,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC,
,,2G6L,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,HBI:A:760,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:761,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:910,invalid,,,,,[N]=O,
,,,NO:B:910,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUU,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BY7:B:803,valid,Ki,=,541,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C,
,,,BY7:A:803,valid,Ki,=,541,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C(F)(F)F)CCCN(C)C,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,MTL:B:805,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,3HSN,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,CMO:A:751,invalid,,,,,[C-]#[O+],
,,,CMO:B:751,invalid,,,,,[C-]#[O+],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:882,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:885,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:886,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:883,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:884,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HAR:A:770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:1770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PN7,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OUJ:B:803,valid,Ki,=,0.043,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N,
,,,OUJ:A:803,valid,Ki,=,0.043,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,3NLR,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRS:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRS:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLZ,,,,,,,
,,,3XD:A:800,valid,Ki,=,0.085,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F,
,,,3XD:B:800,valid,Ki,=,0.085,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:B:883,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UO4,,,,,,,
,,,ZN:A:807,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8F1:A:803,valid,Ki,=,0.061,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N,
,,,8F1:B:803,valid,Ki,=,0.061,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CCNC)N,
,,6PNH,,,,,,,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OSD:A:802,valid,Ki,=,0.066,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:A:803,valid,Ki,=,0.066,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:B:804,valid,Ki,=,0.066,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:B:801,valid,Ki,=,0.066,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,5VUU,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9OJ:A:805,valid,Ki,=,0.025,uM,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,9OJ:B:803,valid,Ki,=,0.025,uM,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3N62,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:A:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,XFJ:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:719,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:805,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,5ADC,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,TUE:B:800,valid,Ki,=,0.043,uM,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,,TUE:A:800,valid,Ki,=,0.043,uM,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,6NG6,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,KL4:A:803,valid,Ki,=,59,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,KL4:B:804,valid,Ki,=,59,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCCN3,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,5VUZ,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,XH8:B:803,valid,Ki,=,0.108,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,XH8:A:803,valid,Ki,=,0.108,uM,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4V3U,,,,,,,
,,,GOL:D:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:882,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:880,invalid,,,,,C(C(CO)O)O,
,,,EG8:A:800,valid,Ki,=,0.125,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,EG8:C:800,valid,Ki,=,0.125,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,EG8:D:800,valid,Ki,=,0.125,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,EG8:B:800,valid,Ki,=,0.125,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:C:900,Part of Protein,,,,,[Zn+2],
,,,HEM:D:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4D32,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,7F5:A:800,valid,Ki,=,0.06,uM,Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F,
,,,7F5:B:800,valid,Ki,=,0.06,uM,Cc1cncn1c2nccc(n2)CCNCCCc3cccc(c3)F,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6NGV,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KMM:B:803,valid,Ki,=,47,nM,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,KMM:A:803,valid,Ki,=,47,nM,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,5VUO,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9OS:A:803,valid,Ki,=,0.05,uM,COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,9OS:B:803,valid,Ki,=,0.05,uM,COc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,MTL:B:805,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,4KCO,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,BR:B:804,invalid,,,,,[Br-],
,,,BR:A:804,invalid,,,,,[Br-],
,,,5H4:B:803,valid,Ki,=,0.073,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F,
,,,5H4:A:803,valid,Ki,=,0.073,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4FVY,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,3KJ:B:804,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)N(C)O,
,,,3KJ:A:804,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)N(C)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5AD7,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M85:A:800,valid,Ki,=,0.569,uM,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,M85:B:800,valid,Ki,=,0.569,uM,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,5AGK,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,RGE:B:801,valid,Ki,=,53,uM,[H]/N=C(CS(=O)C)/NCCC[C@@H](C(=O)O)N,
,,,RGE:A:801,valid,Ki,=,53,uM,[H]/N=C(CS(=O)C)/NCCC[C@@H](C(=O)O)N,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4KCK,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H45:B:803,valid,Ki,=,0.005,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N[H])/c4cccs4,
,,,H45:A:803,valid,Ki,=,0.005,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)CCNCc3cccc(c3)N/C(=N[H])/c4cccs4,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,5UO5,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M4R:A:803,valid,Ki,=,0.074,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,M4R:B:803,valid,Ki,=,0.074,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@@H](C)NC)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8FD:B:804,valid,Ki,=,0.074,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:A:804,valid,Ki,=,0.074,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,3UFS,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW6:A:800,valid,Ki,=,0.23,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F,
,,,HW6:B:800,valid,Ki,=,0.23,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cc(cc(c3)Cl)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VUX,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,9P1:A:803,valid,Ki,=,0.764,uM,CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N,
,,,9P1:B:803,valid,Ki,=,0.764,uM,CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N,
,,6AUT,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W69:A:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,W69:B:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCN(C)C,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,3JX6,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI5:A:800,valid,Ki,=,2180,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,JI5:B:800,valid,Ki,=,2180,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NG2,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,KM7:A:803,valid,Ki,=,124,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C,
,,,KM7:B:804,valid,Ki,=,124,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C,
,,4D2Y,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,L5Z:A:800,valid,Ki,=,0.018,uM,c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4,
,,,L5Z:B:800,valid,Ki,=,0.018,uM,c1cc(cc(c1)F)C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4ccnc4,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,1K2U,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TFM:A:1820,valid,,,,,CCSC(=Nc1ccc(cc1)C(F)(F)F)N,
,,,TFM:B:2820,valid,,,,,CCSC(=Nc1ccc(cc1)C(F)(F)F)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PO8,,,,,,,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OUM:A:803,valid,Ki,=,0.000000114,,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,,OUM:B:804,valid,Ki,=,0.000000114,,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(cc4)C#N)N,
,,1ZZU,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP1:A:790,valid,Ki,=,63.3,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,DP1:B:791,valid,Ki,=,63.3,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:A:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:871,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4JSH,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,Q15:B:804,valid,Ki,=,117,nM,Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3,
,,,Q15:A:803,valid,Ki,=,117,nM,Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4IMW,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,1EV:B:802,valid,Ki,=,0.056,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C,
,,,1EV:A:804,valid,Ki,=,0.056,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:805,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3UFP,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4W:A:800,valid,Ki,=,0.922,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F,
,,,H4W:B:800,valid,Ki,=,0.922,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(c3)F,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5G0N,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,EXI:B:800,valid,Ki,=,139.4,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,EXI:A:800,valid,Ki,=,139.4,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PMY,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OT4:A:803,valid,Ki,=,0.107,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N,
,,,OT4:B:803,valid,Ki,=,0.107,uM,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,2G6I,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,HBI:A:760,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:761,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N60,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,CL:B:930,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:800,valid,Ki,=,85,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,Ki,=,85,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,5VV5,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9OJ:A:803,valid,Ki,=,0.03,uM,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,9OJ:B:803,valid,Ki,=,0.03,uM,Cc1cc(ccc1C#N)CCNCc2ccc3c(cc(nc3c2)N)C,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,6NGZ,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KPJ:B:803,valid,Ki,=,13,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C,
,,,KPJ:A:803,valid,Ki,=,13,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C,
,,5VUK,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9P1:A:803,valid,Ki,=,0.522,uM,CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N,
,,,9P1:B:803,valid,Ki,=,0.522,uM,CN(C)c1ccc(cc1)CNCc2ccc3ccc(nc3c2)N,
,,6NHC,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,KNV:B:804,valid,Ki,=,23,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,,KNV:A:803,valid,Ki,=,23,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCN3C,
,,6NGC,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,KMM:A:803,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,,KMM:B:804,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)CCCN(C)C)F,
,,5AD4,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,6M8:A:800,valid,Ki,=,0.468,uM,CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,6M8:B:800,valid,Ki,=,0.468,uM,CN(C)CCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,6NGQ,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,KLA:B:803,valid,Ki,=,65,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,,KLA:A:803,valid,Ki,=,65,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F,
,,3PNF,,,,,,,
,,,8BX:A:800,valid,Ki,=,0.17,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F,
,,,8BX:B:800,valid,Ki,=,0.17,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3Cl)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3SVP,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JK5:A:800,valid,Ki,=,0.077,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F,
,,,JK5:B:800,valid,Ki,=,0.077,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cc(cc(c3)Cl)F)(F)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUQ,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,BYJ:B:803,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC,
,,,BYJ:A:803,valid,Ki,=,48,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,5UO3,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,8EY:A:804,invalid,,,,,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:B:804,valid,,,,,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,8EY:A:803,valid,,,,,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)CNC)N,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6PN6,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,OUS:B:803,valid,Ki,=,0.044,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:A:803,valid,Ki,=,0.044,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,6POC,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,OU4:B:804,valid,Ki,=,0.063,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,OU4:A:802,valid,Ki,=,0.063,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,OU4:B:803,valid,Ki,=,0.063,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,OU4:A:803,valid,Ki,=,0.063,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,4CX3,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW8:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,HW8:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5AGP,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VUR:A:800,valid,Ki,=,0.42,uM,[H]/N=C(CS)/NCCC[C@@H](C(=O)O)N,
,,,VUR:B:800,valid,Ki,=,0.42,uM,[H]/N=C(CS)/NCCC[C@@H](C(=O)O)N,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4JSI,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,Q05:B:803,valid,Ki,=,40,nM,Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F,
,,,Q05:A:803,valid,Ki,=,40,nM,Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,5VUW,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,JHT:A:803,valid,Ki,=,1.02,uM,CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N,
,,,JHT:B:803,valid,Ki,=,1.02,uM,CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4FVZ,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,4KJ:A:804,valid,Ki,=,28,uM,[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)N(C)OC,
,,,4KJ:B:803,valid,Ki,=,28,uM,[H]/N=C(/N=C/CC[C@@H](C(=O)O)N)N(C)OC,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,6PN1,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OSG:B:803,valid,Ki,=,0.072,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:A:803,valid,Ki,=,0.072,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,3JWV,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J14:A:800,valid,Ki,=,18.9,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,J14:B:800,valid,Ki,=,18.9,nM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUZ,,,,,,,
,,,W68:A:803,valid,Ki,=,65,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,W68:B:803,valid,Ki,=,65,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCCNC,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,6NG5,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KMD:A:803,valid,Ki,=,52,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C,
,,,KMD:B:803,valid,Ki,=,52,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C,
,,2HX4,,,,,,,
,,,4HX:A:799,valid,Ki,=,0.31,uM,[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)N[N+](=O)[O-],
,,,4HX:B:799,valid,Ki,=,0.31,uM,[H]/N=C(/NCCC[C@@H](C(=O)N([C@@H]1C[C@H](NC1)C(=O)N)O)N)N[N+](=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5ADF,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,2SN:B:800,valid,Ki,=,0.657,uM,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,2SN:A:800,valid,Ki,=,0.657,uM,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV0,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9OM:B:803,valid,Ki,=,0.13,uM,Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,9OM:A:803,valid,Ki,=,0.13,uM,Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4D3B,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,6J0:A:800,valid,Ki,=,0.368,uM,c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3,
,,,6J0:B:800,valid,Ki,=,0.368,uM,c1cc(cc(c1)F)CCNCCNc2ccnc(n2)n3ccnc3,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3HSP,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:882,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:881,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:883,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:884,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HAR:A:770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:1770,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:752,invalid,,,,,[N]=O,
,,,NO:B:752,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGT,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KL7:B:803,valid,Ki,=,60,nM,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,KL7:A:803,valid,Ki,=,60,nM,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,6PND,,,,,,,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OT4:A:803,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N,
,,,OT4:B:803,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CCN)N,
,,5FVT,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,W67:B:800,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,W67:A:800,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,4V3X,,,,,,,
,,,4E8:B:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3,
,,,4E8:A:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)F)CCCNCCc2ccnc(n2)n3ccnc3,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5AGL,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CCW:A:800,valid,Ki,=,58.3,uM,CS(=O)(=O)C/C(=NCCC[C@@H](C(=O)O)N)/N,
,,,CCW:B:800,valid,Ki,=,58.3,uM,CS(=O)(=O)C/C(=NCCC[C@@H](C(=O)O)N)/N,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,4D30,,,,,,,
,,,EG8:A:800,valid,Ki,=,0.054,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,EG8:B:800,valid,Ki,=,0.054,uM,c1cc(cnc1)CCCNCCc2ccnc(n2)n3ccnc3,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4CTU,,,,,,,
,,,S42:B:800,valid,Ki,=,53,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,S42:A:800,valid,Ki,=,53,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)CN,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5UO0,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8FD:B:803,valid,Ki,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:A:803,valid,Ki,=,0.05,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,6PNE,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,OUA:B:804,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:A:803,valid,,,,,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,3N2R,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XJH:A:800,valid,Ki,=,3,uM,c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N,
,,,XJH:B:800,valid,Ki,=,3,uM,c1ccc(cc1)Oc2cccc(c2)O[C@H]3CNC[C@H]3Cc4cccc(n4)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLX,,,,,,,
,,,3XB:A:800,valid,Ki,=,0.036,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F,
,,,3XB:B:800,valid,Ki,=,0.036,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)F)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CAP,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ML6:B:800,valid,Ki,=,0.06,uM,c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N,
,,,ML6:A:800,valid,Ki,=,0.06,uM,c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5FVU,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W64:B:800,valid,Ki,=,84,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,W64:A:800,valid,Ki,=,84,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,EDO:A:870,invalid,,,,,C(CO)O,
,,6NH0,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KND:A:803,valid,Ki,=,62,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C,
,,,KND:B:803,valid,Ki,=,62,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C,
,,3NLJ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRR:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRR:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,5AGM,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,WT2:B:800,valid,Ki,=,22.9,uM,C(C[C@@H](C(=O)O)N)CNC(=N)C=O,
,,,WT2:A:800,valid,Ki,=,22.9,uM,C(C[C@@H](C(=O)O)N)CNC(=N)C=O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,4KCJ,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H36:A:804,valid,Ki,=,0.13,uM,[H]/N=C(Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,H36:B:804,valid,Ki,=,0.13,uM,[H]/N=C(Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5FVX,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W67:A:800,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,W67:B:800,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UPO,,,,,,,
,,,6E5:A:800,valid,Ki,=,0.0281,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N[H])/c5cccs5,
,,,6E5:B:800,valid,Ki,=,0.0281,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N[H])/c5cccs5,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,1K2T,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PTU:A:1810,valid,,,,,CCSC(=Nc1ccccc1)N,
,,,PTU:B:2810,valid,,,,,CCSC(=Nc1ccccc1)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VUN,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9OM:B:803,valid,Ki,=,0.09,uM,Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,9OM:A:803,valid,Ki,=,0.09,uM,Cc1ccncc1CCCNCc2ccc3ccc(nc3c2)N,
,,,MTL:B:805,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:A:805,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,3JT4,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM8:A:800,valid,Ki,=,33,uM,[H]/N=C(CCSCC)/NCCC[C@@H](C(=O)O)N,
,,,JM8:B:800,valid,Ki,=,33,uM,[H]/N=C(CCSCC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGK,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KM7:A:803,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C,
,,,KM7:B:803,valid,Ki,=,58,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6NGY,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,KN4:A:803,valid,Ki,=,27,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C,
,,,KN4:B:803,valid,Ki,=,27,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,5ADD,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M85:A:800,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,M85:B:800,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,4V3W,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,E2Z:B:800,valid,Ki,=,0.183,uM,c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3,
,,,E2Z:A:800,valid,Ki,=,0.183,uM,c1cc(cc(c1)F)CCNCCc2ccnc(n2)n3ccnc3,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3NLQ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,EDO:A:890,invalid,,,,,C(CO)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JRR:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,JRR:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VUS,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9PM:B:803,valid,Ki,=,0.031,uM,c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N,
,,,9PM:A:803,valid,Ki,=,0.031,uM,c1cc(cc2c1ccc(n2)N)CNCCc3ccc(c(c3)Cl)C#N,
,,4UH5,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,EXI:B:800,valid,Ki,=,59,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,EXI:A:800,valid,Ki,=,59,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,CL:B:780,invalid,,,,,[Cl-],
,,,CL:A:780,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6POB,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,OUJ:B:804,valid,Ki,=,0.031,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N,
,,,OUJ:A:803,valid,Ki,=,0.031,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn4)N,
,,6PN9,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,OU7:B:803,valid,Ki,=,0.053,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N,
,,,OU7:A:803,valid,Ki,=,0.053,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,3JWS,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI4:A:800,valid,Ki,=,52.2,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,JI4:B:800,valid,Ki,=,52.2,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3UFV,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW9:A:800,valid,Ki,=,0.031,uM,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,HW9:B:800,valid,Ki,=,0.031,uM,Cc1ccnc(c1)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UNV,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8J7:A:803,valid,Ki,=,0.033,uM,Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N,
,,,8J7:B:803,valid,Ki,=,0.033,uM,Cc1cc(nc2c1ccc(c2)CCc3cccc(c3)CNC)N,
,,3NNZ,,,,,,,
,,,59W:A:800,valid,Ki,=,220,nM,c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N,
,,,59W:B:800,valid,Ki,=,220,nM,c1cc(cc(c1)F)CCNCCO[C@@H]2CNC[C@@H]2Cc3cccc(n3)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JX4,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,J11:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,J11:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@H]2CNC[C@@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N64,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,CL:B:930,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,6PN0,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OSJ:A:803,valid,Ki,=,0.058,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSJ:B:803,valid,Ki,=,0.058,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6NG8,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,KL1:B:804,valid,Ki,=,29,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C,
,,,KL1:A:803,valid,Ki,=,29,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C)C,
,,5VUJ,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,JHT:B:803,valid,Ki,=,0.421,uM,CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N,
,,,JHT:A:803,valid,Ki,=,0.421,uM,CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,3JT3,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM2:A:800,valid,Ki,=,0.9,uM,[H]/N=C(CSC)/NCCC[C@@H](C(=O)O)N,
,,,JM2:B:800,valid,Ki,=,0.9,uM,[H]/N=C(CSC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5ADE,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,XEB:B:800,valid,,,,,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:A:800,valid,,,,,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,2G6J,,,,,,,
,,,7AP:A:760,valid,,,,,C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O,
,,,7AP:B:761,valid,,,,,C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:910,invalid,,,,,[N]=O,
,,,NO:B:910,invalid,,,,,[N]=O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PO5,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,OUP:A:803,valid,Ki,=,0.096,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,OUP:B:804,valid,Ki,=,0.096,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,3UFQ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW5:A:800,valid,Ki,=,15.402,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F,
,,,HW5:B:800,valid,Ki,=,15.402,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCC=Cc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3TYM,,,,,,,
,,,08R:A:800,valid,Ki,=,0.82,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC,
,,,08R:B:800,valid,Ki,=,0.82,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccccc3OC,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4JSJ,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,QJ7:A:804,valid,Ki,=,140,nM,Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F,
,,,QJ7:B:803,valid,Ki,=,140,nM,Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,4UH1,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,EXI:B:800,valid,Ki,=,17,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,EXI:A:800,valid,Ki,=,17,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,6NGF,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,KN4:A:803,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C,
,,,KN4:B:804,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@@H]3CCCN3C,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,5AD9,,,,,,,
,,,8VJ:B:800,valid,Ki,=,0.283,uM,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,8VJ:A:800,valid,Ki,=,0.283,uM,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,3SVQ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JK4:A:800,valid,Ki,=,0.18,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F,
,,,JK4:B:800,valid,Ki,=,0.18,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3F)F)(F)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1P6I,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP3:A:793,valid,Ki,=,0.15,uM,C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-],
,,,DP3:B:794,valid,Ki,=,0.15,uM,C(C[C@@H](CNCCN)N)CNC(=N)N[N+](=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6PMZ,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,OUA:A:803,valid,Ki,=,0.285,uM,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,,OUA:B:803,valid,Ki,=,0.285,uM,Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N,
,,3Q9A,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM7:A:800,valid,,,,,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,JM7:B:800,valid,,,,,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CAO,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M46:A:800,valid,Ki,=,0.164,uM,c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N,
,,,M46:B:800,valid,Ki,=,0.164,uM,c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4V3Y,,,,,,,
,,,HLW:A:800,valid,Ki,=,0.032,uM,c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3,
,,,HLW:B:800,valid,Ki,=,0.032,uM,c1cc(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5VUR,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9P7:A:803,valid,Ki,=,0.021,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,,9P7:B:803,valid,Ki,=,0.021,uM,Cc1cc(ccc1C#N)CCNCc2ccc3ccc(nc3c2)N,
,,5G0P,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,W67:B:800,valid,Ki,=,108,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,W67:A:800,valid,Ki,=,108,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6POT,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OU7:A:803,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N,
,,,OU7:B:804,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs4)N,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,5UO2,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,8J4:B:803,valid,Ki,=,0.125,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,,8J4:A:803,valid,Ki,=,0.125,uM,CCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CNC,
,,2G6N,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CMO:A:920,invalid,,,,,[C-]#[O+],
,,,CMO:B:920,invalid,,,,,[C-]#[O+],
,,,HBI:A:760,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:761,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5ADG,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,XEB:B:800,valid,Ki,=,0.295,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:B:801,invalid,Ki,=,0.295,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,XEB:A:800,valid,Ki,=,0.295,uM,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UPP,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,PQW:B:800,valid,Ki,=,0.0282,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N,
,,,PQW:A:800,valid,Ki,=,0.0282,uM,[H]/N=C(/c1cccs1)Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6PNF,,,,,,,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OSJ:A:803,valid,Ki,=,0.111,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSJ:B:803,valid,Ki,=,0.111,uM,CCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,4LUX,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,QJ8:A:803,valid,Kd,=,0.1,uM,Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C,
,,,QJ8:B:803,valid,Kd,=,0.1,uM,Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,4CX5,,,,,,,
,,,ZN:A:1721,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HW8:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,HW8:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3ccccn3,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4V3V,,,,,,,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,S8F:A:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3,
,,,S8F:B:800,valid,Ki,=,0.138,uM,c1cc(cc(c1)F)CCCNCc2ccnc(n2)n3ccnc3,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6AUX,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,W82:A:803,valid,Ki,=,44,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC,
,,,W82:B:803,valid,Ki,=,44,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)c3cccc(c3)CNC,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,6PN4,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OU1:B:803,valid,Ki,=,0.039,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,,OU1:A:803,valid,Ki,=,0.039,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)N,
,,4K5G,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q13:A:803,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N,
,,,Q13:B:803,valid,Ki,=,37,nM,Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,3NLY,,,,,,,
,,,3XC:A:800,valid,Ki,=,0.16,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F,
,,,3XC:B:800,valid,Ki,=,0.16,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccc(cc3)F)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NHE,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KNS:A:803,valid,Ki,=,55,nM,CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C,
,,,KNS:B:803,valid,Ki,=,55,nM,CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,5FVP,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,WOS:A:800,valid,Ki,=,547,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3,
,,,WOS:B:800,valid,Ki,=,547,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCOCC3,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,3JT5,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM7:A:800,valid,Ki,=,8.6,uM,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,JM7:B:800,valid,Ki,=,8.6,uM,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5AGO,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VUR:A:800,valid,Ki,=,0.42,uM,[H]/N=C(CS)/NCCC[C@@H](C(=O)O)N,
,,,VUR:B:800,valid,Ki,=,0.42,uM,[H]/N=C(CS)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,5VUP,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,9P4:A:804,valid,Ki,=,0.216,uM,c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F,
,,,9P4:B:803,valid,Ki,=,0.216,uM,c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F,
,,5FW0,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W30:A:800,valid,Ki,=,1768,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC,
,,,W30:B:800,valid,Ki,=,1768,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCOC,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4KCI,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1QE:A:804,valid,Ki,=,0.739,uM,[H]/N=C(Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,1QE:B:803,valid,Ki,=,0.739,uM,[H]/N=C(Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,4UPM,,,,,,,
,,,I5U:B:800,valid,Ki,=,0.059,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(c4cccs4)/N,
,,,I5U:A:800,valid,Ki,=,0.059,uM,[H]/N=C(c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(c4cccs4)/N,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6NGA,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KL7:A:803,valid,Ki,=,36,nM,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,KL7:B:804,valid,Ki,=,36,nM,Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,6NGW,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,KMS:A:803,valid,Ki,=,45,nM,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,KMS:B:803,valid,Ki,=,45,nM,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,3PNE,,,,,,,
,,,8AX:A:800,valid,Ki,=,0.086,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F,
,,,8AX:B:800,valid,Ki,=,0.086,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3cccc(c3)Cl)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5UNW,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8F7:B:803,valid,Ki,=,0.036,uM,Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N,
,,,8F7:A:803,valid,Ki,=,0.036,uM,Cc1cc(nc2c1ccc(c2)CCc3cc(cc(c3)C#N)CNC)N,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4V3Z,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,9HL:A:800,valid,Ki,=,0.056,uM,c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4,
,,,9HL:B:800,valid,Ki,=,0.056,uM,c1cc(cc(c1)F)[C@@H]2C[C@H]2CNCCc3ccnc(n3)n4ccnc4,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5FVR,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H65:A:800,valid,Ki,=,72,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C,
,,,H65:B:800,valid,Ki,=,72,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,4CDT,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,M48:B:801,valid,Ki,=,0.049,uM,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,M48:A:801,valid,Ki,=,0.049,uM,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4FW0,,,,,,,
,,,5KJ:B:804,valid,Ki,>,10,mM,[H]/N=C(NO)/N(C)CCC[C@@H](C(=O)O)N,
,,,5KJ:A:804,valid,Ki,>,10,mM,[H]/N=C(NO)/N(C)CCC[C@@H](C(=O)O)N,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6PN8,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OU4:B:803,valid,Ki,=,0.043,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,OU4:A:803,valid,Ki,=,0.043,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn4)N,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6POA,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OUS:A:804,valid,Ki,=,0.045,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:A:803,valid,Ki,=,0.045,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,,OUS:B:804,valid,Ki,=,0.045,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccnc4)N,
,,4UH2,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,S84:B:800,valid,Ki,=,67,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F,
,,,S84:A:800,valid,Ki,=,67,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C(F)(F)F,
,,6NG7,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KLD:B:804,valid,Ki,=,204,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,KLD:A:803,valid,Ki,=,204,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,5UO7,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,8FD:B:804,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,8FD:A:803,valid,Ki,=,0.046,uM,Cc1cc(nc2c1ccc(c2)COc3cc(cc(c3)C#N)C[C@H](C)NC)N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,3JT8,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM4:A:800,valid,,,,,[H]/N=C(/CCSC(C)C)NCCC[C@@H](C(=O)O)N,
,,,JM4:B:800,valid,,,,,[H]/N=C(/CCSC(C)C)NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1ZVL,,,,,,,
,,,H4B:A:900,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:920,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:800,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:800,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,6PN3,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,OUP:A:803,valid,Ki,=,0.049,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,OUP:B:803,valid,Ki,=,0.049,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CCC4)N,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:807,Part of Protein,,,,,[Zn+2],
,,4CTQ,,,,,,,
,,,S5D:A:800,valid,Ki,=,122,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N,
,,,S5D:B:800,valid,Ki,=,122,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4IMS,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:804,Part of Protein,,,,,[Zn+2],
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:B:805,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,12S:B:802,valid,Ki,=,0.54,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,12S:A:802,valid,Ki,=,0.54,uM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3TYO,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,DXW:A:800,valid,Ki,=,0.4,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3,
,,,DXW:B:800,valid,Ki,=,0.4,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCc3ccco3,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1RS7,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,D7P:A:797,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,D7P:B:798,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:B:871,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLO,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,EDO:A:890,invalid,,,,,C(CO)O,
,,,EDO:A:891,invalid,,,,,C(CO)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JSR:A:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,JSR:B:800,valid,,,,,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@H]2OCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UH0,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,SKO:B:800,valid,Ki,=,35,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC,
,,,SKO:A:800,valid,Ki,=,35,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC,
,,3UFO,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW4:A:800,valid,Ki,=,9.057,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F,
,,,HW4:B:800,valid,Ki,=,9.057,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCCCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6NGR,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,KLD:B:803,valid,Ki,=,128,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,KLD:A:803,valid,Ki,=,128,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3C)F,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,6PN2,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OSD:B:803,valid,Ki,=,0.071,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,,OSD:A:803,valid,Ki,=,0.071,uM,Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC(C)C)N,
,,4D2Z,,,,,,,
,,,K9L:B:800,valid,Ki,=,0.15,uM,c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4,
,,,K9L:A:800,valid,Ki,=,0.15,uM,c1cc(cc(c1)F)C[C@H]2C[C@@H]2NCCc3ccnc(n3)n4ccnc4,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5UNR,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8EV:B:803,valid,Ki,=,0.035,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,8EV:A:803,valid,Ki,=,0.035,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,5ADA,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,2SN:B:800,valid,Ki,=,0.375,uM,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,2SN:A:800,valid,Ki,=,0.375,uM,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,1P6K,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP1:A:790,valid,Ki,=,67,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,DP1:B:791,valid,Ki,=,67,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:A:870,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:871,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5FVV,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,H65:A:800,valid,Ki,=,89,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C,
,,,H65:B:800,valid,Ki,=,89,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)C3CCN(CC3)C,
,,6PMX,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OUG:A:803,valid,Ki,=,0.000000114,,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,OUG:B:803,valid,Ki,=,0.000000114,,Cc1cc(nc2c1ccc(c2)c3cccc(c3)CN)N,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,6NGD,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,KMS:A:803,valid,Ki,=,46,nM,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,,KMS:B:804,valid,Ki,=,46,nM,Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)C,
,,6AV0,,,,,,,
,,,H4B:B:803,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,BYV:A:804,valid,Ki,=,516,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC,
,,,BYV:B:801,valid,Ki,=,516,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCCNC,
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3JX2,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI4:A:800,valid,Ki,=,1190,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,JI4:B:800,valid,Ki,=,1190,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3UFW,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW0:A:800,valid,Ki,=,0.03,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N,
,,,HW0:B:800,valid,Ki,=,0.03,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCCCCc3cccc(n3)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5VV2,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9P4:A:803,valid,Ki,=,0.164,uM,c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F,
,,,9P4:B:803,valid,Ki,=,0.164,uM,c1cc(cc2c1ccc(n2)N)CNCCCc3cc(cnc3)F,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,5UO1,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8EV:B:803,valid,Ki,=,0.036,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,8EV:A:803,valid,Ki,=,0.036,uM,CNCc1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)C#N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,6PNG,,,,,,,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OSG:A:802,valid,Ki,=,0.058,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:B:801,valid,Ki,=,0.058,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:B:804,valid,Ki,=,0.058,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,OSG:A:803,valid,Ki,=,0.058,uM,CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C,
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,3N5W,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFJ:A:800,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:A:805,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:800,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,XFJ:B:805,valid,Ki,=,25,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,3PNG,,,,,,,
,,,8CX:A:800,valid,Ki,=,0.026,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F,
,,,8CX:B:800,valid,Ki,=,0.026,uM,Cc1cc(nc(c1)N)C[C@@H]2CNC[C@@H]2OCCNC[C@@H](c3cccc(c3)F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3B3O,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI3:A:800,valid,Ki,=,0.085,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl,
,,,JI3:B:800,valid,Ki,=,0.085,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCc3ccc(cc3)Cl,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4C39,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,Q16:B:800,valid,Ki,=,9.7,nM,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,Q16:A:800,valid,Ki,=,9.7,nM,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,6PMW,,,,,,,
,,,ZN:B:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,OSY:B:803,valid,Ki,=,0.045,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N,
,,,OSY:A:803,valid,Ki,=,0.045,uM,Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N,
,,5VUL,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P64:A:803,valid,Ki,=,0.036,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,,P64:B:803,valid,Ki,=,0.036,uM,CN(C)c1ccc(cc1)CCNCc2ccc3ccc(nc3c2)N,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,1K2R,,,,,,,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NRG:A:1775,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,NRG:B:2775,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1QW6,,,,,,,
,,,3AR:A:902,valid,,,,,CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,H4B:A:901,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:900,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,3JT9,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JM7:A:800,valid,Ki,=,8.6,uM,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,JM7:B:800,valid,Ki,=,8.6,uM,[H]/N=C(CSCC)/NCCC[C@@H](C(=O)O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3JX0,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JI4:A:800,valid,Ki,=,1190,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,JI4:B:800,valid,Ki,=,1190,nM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2NCCNCCc3cccc(c3)F,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5AD6,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,7M3:B:800,valid,Ki,=,0.179,uM,CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,7M3:A:800,valid,Ki,=,0.179,uM,CN(C)Cc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,1MMV,,,,,,,
,,,3AR:A:1785,valid,,,,,CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,3AR:B:2785,valid,,,,,CCCNC(=[NH2+])NCCC[C@@H](C(=O)O)N,
,,,ACT:A:1860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:1760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:2760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:1750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4UH3,,,,,,,
,,,S85:A:800,valid,Ki,=,34,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC,
,,,S85:B:800,valid,Ki,=,34,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(C)CCNC,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,6NGI,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:806,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,KND:A:803,valid,Ki,=,89,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C,
,,,KND:B:803,valid,Ki,=,89,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3COCCN3C,
,,1ZZQ,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP9:A:799,valid,Ki,=,20,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,DP9:B:800,valid,Ki,=,20,uM,C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:A:870,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:871,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AV3,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,W79:B:803,valid,Ki,=,82,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC,
,,,W79:A:803,valid,Ki,=,82,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)c3cccc(c3)CNC,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,6NGM,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KMD:A:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C,
,,,KMD:B:803,valid,Ki,=,26,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3CCCN3C,
,,1P6H,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP1:A:790,valid,Ki,=,0.3,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,DP1:B:791,valid,Ki,=,0.3,uM,C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CNC(=N)N[N+](=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,6AUY,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,BYJ:A:804,valid,Ki,=,55,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC,
,,,BYJ:B:803,valid,Ki,=,55,nM,Cc1cc(nc(c1)N)CCc2cccc(c2)CCCNC,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:803,Part of Protein,,,,,[Zn+2],
,,5FVS,,,,,,,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,W66:A:800,valid,Ki,=,16,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC,
,,,W66:B:800,valid,Ki,=,16,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,3NM0,,,,,,,
,,,3XE:A:800,valid,Ki,=,0.17,uM,C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F,
,,,3XE:B:800,valid,Ki,=,0.17,uM,C[C@H]1C[C@H](N=C(C1)N)C[C@@H]2CNC[C@@H]2OCCNCC(c3ccccc3)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N66,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,CL:B:910,invalid,,,,,[Cl-],
,,,CL:B:930,invalid,,,,,[Cl-],
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:B:870,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,XFN:A:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,XFN:B:800,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,6NGH,,,,,,,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,KPJ:B:803,valid,Ki,=,21,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C,
,,,KPJ:A:803,valid,Ki,=,21,nM,Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3CCCN3C,
,,5VUQ,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,P94:A:803,valid,Ki,=,0.037,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,P94:B:803,valid,Ki,=,0.037,uM,c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N,
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,2G6M,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,CMO:A:920,invalid,,,,,[C-]#[O+],
,,,CMO:B:920,invalid,,,,,[C-]#[O+],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3NLV,,,,,,,
,,,3XA:A:800,valid,Ki,=,0.39,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F,
,,,3XA:B:800,valid,Ki,=,0.39,uM,Cc1cc(nc(c1)N)C[C@H]2CNC[C@H]2OCCNCC(c3cccc(c3)F)(F)F,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3N5Z,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFM:A:800,valid,Ki,=,195,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C,
,,,XFM:B:800,valid,Ki,=,195,nM,Cc1cc(nc(c1)N)CCc2cccc(n2)CCc3cc(nc(c3)N)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,1RS6,,,,,,,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,DP2:A:792,valid,,,,,C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,DP2:B:793,valid,,,,,C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:761,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MTL:A:870,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:871,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4CAN,,,,,,,
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,M7K:A:800,valid,Ki,=,0.254,uM,c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N,
,,,M7K:B:800,valid,Ki,=,0.254,uM,c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1717,Part of Protein,,,,,[Zn+2],
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4CX6,,,,,,,
,,,ZN:A:1721,Part of Protein,,,,,[Zn+2],
,,,HEM:B:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:750,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,Q16:B:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,Q16:A:800,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,H4B:A:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:760,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4KCH,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H38:A:804,valid,Ki,=,0.787,uM,[H]/N=C(Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,H38:B:804,valid,Ki,=,0.787,uM,[H]/N=C(Nc1cc(ccc1)c2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,5UNT,,,,,,,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,H4B:A:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:802,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,8J1:B:803,valid,Ki,=,0.039,uM,Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N,
,,,8J1:A:803,valid,Ki,=,0.039,uM,Cc1cc(nc2c1ccc(c2)COc3cccc(c3)CNC)N,
,Family. Representative Entry is ,4CU1,,,,,,,
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,71S:B:800,valid,Ki,=,19417,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,71S:A:800,valid,Ki,=,19417,nM,Cc1cc(nc(c1)N)CCc2cc(cnc2)[C@H](Cc3cc(cc(n3)N)C)CN,
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,4NOS,,,,,,,
,,,H2B:A:511,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,H4B:B:1011,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:2011,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:3011,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:510,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1010,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:2010,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3010,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:512,valid,Ki,=,19,nM,CCSC(=N)N,
,,,ITU:B:1012,valid,Ki,=,19,nM,CCSC(=N)N,
,,,ITU:C:2012,valid,Ki,=,19,nM,CCSC(=N)N,
,,,ITU:D:3012,valid,Ki,=,19,nM,CCSC(=N)N,
,,,ZN:A:3000,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2000,Part of Protein,,,,,[Zn+2],
,,3E7G,,,,,,,
,,,AT2:A:906,valid,ic50,=,0.35,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:B:1906,valid,ic50,=,0.35,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:C:2906,valid,ic50,=,0.35,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:D:3906,valid,ic50,=,0.35,uM,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:B:1902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:C:2902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:D:3902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:2901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1F20,,,,,,,
,,,FAD:A:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMT:A:2085,invalid,,,,,C(=O)O,
,,,FMT:A:2086,invalid,,,,,C(=O)O,
,,,FMT:A:2087,invalid,,,,,C(=O)O,
,,,GOL:A:2080,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2081,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2082,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2083,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2084,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5XOF,,,,,,,
,,,GLY PRO ALA THR PRO ALA PRO NDG SIA:Q:50,valid,Kd,=,120.6,uM,,
,,,GLY PRO ALA THR PRO ALA PRO NDG SIA:O:50,valid,Kd,=,120.6,uM,,
,,,GLY PRO ALA THR PRO ALA PRO NDG SIA:R:50,valid,Kd,=,120.6,uM,,
,,,GLY PRO ALA THR PRO ALA PRO NDG SIA:P:50,valid,Kd,=,120.6,uM,,
,,3WV0,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY PRO ALA THR PRO ALA PRO A2G SIA:Y:51,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)C)CCC1)C(OC1C(NC(=O)C)C(O)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)O1)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C,
,,,GLY PRO ALA THR PRO ALA PRO A2G SIA:X:50,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)C)CCC1)C(OC1C(NC(=O)C)C(O)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)O1)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C,
,,5XO2,,,,,,,
,,,GLY PRO ALA THR PRO ALA PRO 8B9 SIA:X:50,valid,Kd,=,97.1,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)C(OC1C(NC(=O)C)C(O)CC(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)O1)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C,
,,,GLY PRO ALA THR PRO ALA PRO 8B9 SIA:Y:50,valid,Kd,=,97.1,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)C(OC1C(NC(=O)C)C(O)CC(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)O1)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C,
,,4NFD,,,,,,,
,,,SIA:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,1MJT,,,,,,,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ITU:A:800,valid,,,,,CCSC(=N)N,
,,,ITU:B:801,valid,,,,,CCSC(=N)N,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,1TLL,,,,,,,
,,,FAD:A:1452,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2452,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:1453,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2453,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO3:A:1500,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:2500,invalid,,,,,[O-]S(=O)[O-],
,Family. Representative Entry is ,3E7S,,,,,,,
,,,AT2:A:904,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:A:905,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:B:906,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,AT2:B:907,valid,,,,,CCOC(=O)N1CCC(CC1)Nc2cc(ccn2)C,
,,,HEC:A:901,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:902,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4CFT,,,,,,,
,,,H4B:B:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,H4B:A:600,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,ACT:A:861,invalid,,,,,CC(=O)[O-],
,,,ACT:A:860,invalid,,,,,CC(=O)[O-],
,,,ACT:B:861,invalid,,,,,CC(=O)[O-],
,,,ACT:B:860,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1483,Part of Protein,,,,,[Zn+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:880,invalid,,,,,C(C(CO)O)O,
,,,M48:B:801,valid,Ki,=,11.16,uM,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,M48:A:801,valid,Ki,=,11.16,uM,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.3.1.6,,,,,,,,,
,Family. Representative Entry is ,7AMD,,,,,,,
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,RMW:A:701,valid,Kd,=,0.000000064,M,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS[C@H](Cc4cc[n+](cc4)C)c5cccc6c5cccc6)O,
,,2FY3,,,,,,,
,,,CHT:A:2000,valid,,,,,C[N+](C)(C)CCO,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,2FY4,,,,,,,
,,,COA:A:2000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
6.3.4.13,,,,,,,,,
,Family. Representative Entry is ,2YW2,,,,,,,
,,,ATP:A:646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:647,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:645,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:646,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YRX,,,,,,,
,,,AMP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2YS6,,,,,,,
,,,AMP:A:432,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2QK4,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.7.10,,,,,,,,,
,Family. Representative Entry is ,1GUQ,,,,,,,
,,,FE:A:351,Part of Protein,,,,,[Fe+3],
,,,FE:B:351,Part of Protein,,,,,[Fe+3],
,,,FE:C:351,Part of Protein,,,,,[Fe+3],
,,,FE:D:351,Part of Protein,,,,,[Fe+3],
,,,K:A:353,Part of Protein,,,,,[K+],
,,,K:B:353,Part of Protein,,,,,[K+],
,,,K:C:353,Part of Protein,,,,,[K+],
,,,K:D:353,Part of Protein,,,,,[K+],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,,ZN:B:350,Part of Protein,,,,,[Zn+2],
,,,ZN:C:350,Part of Protein,,,,,[Zn+2],
,,,ZN:D:350,Part of Protein,,,,,[Zn+2],
,,,UPG:A:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1HXP,,,,,,,
,,,BME:A:352,invalid,,,,,C(CS)O,
,,,BME:A:353,invalid,,,,,C(CS)O,
,,,BME:A:354,invalid,,,,,C(CS)O,
,,,BME:B:351,invalid,,,,,C(CS)O,
,,,FE:A:351,Part of Protein,,,,,[Fe+3],
,,,FE:B:350,Part of Protein,,,,,[Fe+3],
,,,U5P:A:355,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UDP:B:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,,ZN:B:349,Part of Protein,,,,,[Zn+2],
,,1GUP,,,,,,,
,,,FE:A:351,Part of Protein,,,,,[Fe+3],
,,,FE:B:351,Part of Protein,,,,,[Fe+3],
,,,FE:C:351,Part of Protein,,,,,[Fe+3],
,,,FE:D:351,Part of Protein,,,,,[Fe+3],
,,,GDU:A:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:C:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:352,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,K:A:353,Part of Protein,,,,,[K+],
,,,K:B:353,Part of Protein,,,,,[K+],
,,,K:C:353,Part of Protein,,,,,[K+],
,,,K:D:353,Part of Protein,,,,,[K+],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,,ZN:B:350,Part of Protein,,,,,[Zn+2],
,,,ZN:C:350,Part of Protein,,,,,[Zn+2],
,,,ZN:D:350,Part of Protein,,,,,[Zn+2],
1.1.1.127,,,,,,,,,
,Family. Representative Entry is ,4ZA2,,,,,,,
,,,NAD:D:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.7.1.91,,,,,,,,,
,Family. Representative Entry is ,4V24,,,,,,,
,,,GYR:A:1450,valid,Ki,=,4.3,nM,Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4,
,,,GYR:B:1450,valid,Ki,=,4.3,nM,Cc1cc(cc(c1)OCc2ccc(cc2)CN3CCC[C@@H]3CO)CS(=O)(=O)c4ccccc4,
,,,ACT:A:1451,invalid,,,,,CC(=O)[O-],
,,3VZC,,,,,,,
,,,UUL:A:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:C:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:B:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:E:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:D:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:F:1001,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,EDO:F:1002,invalid,,,,,C(CO)O,
,,,EDO:D:1002,invalid,,,,,C(CO)O,
,,3VZD,,,,,,,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:E:404,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,UUL:F:500,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:A:401,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:B:401,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:E:401,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:A:402,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:D:500,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,UUL:C:401,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(cc3)O)Cl,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,POP:B:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,ADP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3VZB,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SQS:B:401,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O,
,,,SQS:A:401,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
1.6.5.5,,,,,,,,,
,Family. Representative Entry is ,1YB5,,,,,,,
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,ACT:B:811,invalid,,,,,CC(=O)[O-],
,,,CL:A:816,invalid,,,,,[Cl-],
,,,CL:A:818,invalid,,,,,[Cl-],
,,,CL:B:817,invalid,,,,,[Cl-],
,,,CL:B:819,invalid,,,,,[Cl-],
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:815,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:820,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:821,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JYN,,,,,,,
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3QWB,,,,,,,
,,,GOL:A:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:336,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2ZCV,,,,,,,
,,,CU:A:1001,Part of Protein,,,,,[Cu+2],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.5.2.7,,,,,,,,,
,Family. Representative Entry is ,2Q09,,,,,,,
,,,DI6:A:600,valid,,,,,C(CC(=O)O)[C@H]1C(=O)NC(=O)N1,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,2PUZ,,,,,,,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NIG:B:600,valid,,,,,[H]/N=CN[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,2G3F,,,,,,,
,,,IZC:A:1500,valid,,,,,C1N=CC(=N1)CC(=O)O,
,,,IZC:B:2500,valid,,,,,C1N=CC(=N1)CC(=O)O,
,,,ZN:A:1601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2601,Part of Protein,,,,,[Zn+2],
3.4.24.27,,,,,,,,,
,Family. Representative Entry is ,4TMN,,,,,,,
,,,0PK:E:317,valid,Ki,=,0.068,nM,NULL,
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,ZN:E:322,Part of Protein,,,,,[Zn+2],
,,1LNC,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,MN:E:900,Part of Protein,,,,,[Mn+2],
,,,MN:E:902,Part of Protein,,,,,[Mn+2],
,,,MN:E:903,Part of Protein,,,,,[Mn+2],
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,4MXJ,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,GOL:E:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,2G8:E:411,valid,,,,,CCCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,5JT9,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,7AF:E:412,valid,Kd,=,0.233,uM,C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,2TMN,,,,,,,
,,,0FA:E:322,valid,Ki,=,1.3,uM,CC(C)C[C@@H](C(=O)N)NP(=O)(O)O,
,,,CA:E:317,Part of Protein,,,,,[Ca+2],
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,ZN:E:321,Part of Protein,,,,,[Zn+2],
,,5LIF,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,6XO:E:411,valid,Kd,=,1.34,uM,CC(C)C[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)O)NP(=O)(CNC(=O)OCc2ccccc2)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,1GXW,,,,,,,
,,,CA:A:1317,Part of Protein,,,,,[Ca+2],
,,,CA:A:1318,Part of Protein,,,,,[Ca+2],
,,,CA:A:1319,Part of Protein,,,,,[Ca+2],
,,,CA:A:1320,Part of Protein,,,,,[Ca+2],
,,,SCN:A:1322,invalid,,,,,C(#N)[S-],
,,,VAL LYS:A:322,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:A:1321,Part of Protein,,,,,[Zn+2],
,,1PE8,,,,,,,
,,,BR5 LEU LEN:A:322,valid,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,DMS:A:325,invalid,,,,,CS(=O)C,
,,,ZN:A:317,Part of Protein,,,,,[Zn+2],
,,6D5T,,,,,,,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,MRD:A:408,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,5N31,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,8LB:E:410,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,MPD:E:409,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5N2X,,,,,,,
,,,MPD:E:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,8KN:E:409,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](CCCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,1LNE,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,CD:E:900,invalid,,,,,[Cd+2],
,,,CD:E:902,invalid,,,,,[Cd+2],
,,,CD:E:903,invalid,,,,,[Cd+2],
,,,CD:E:905,invalid,,,,,[Cd+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,1Y3G,,,,,,,
,,,3PL AMM LEU:E:803,valid,Ki,=,40,nM,[Si](O)(O)(CNC(=O)CCc1ccccc1)CC(C(=O)NC(C(=O)[O-])CC(C)C)CC(C)C,
,,,CA:E:317,Part of Protein,,,,,[Ca+2],
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,DMS:E:801,invalid,,,,,CS(=O)C,
,,,DMS:E:802,invalid,,,,,CS(=O)C,
,,,ZN:E:321,Part of Protein,,,,,[Zn+2],
,,1HYT,,,,,,,
,,,BZS:A:807,valid,,,,,c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,,1LNB,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:902,Part of Protein,,,,,[Ca+2],
,,,CA:E:903,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,FE:E:900,Part of Protein,,,,,[Fe+3],
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,3MSA,,,,,,,
,,,B3R:A:401,valid,,,,,c1cc(cc(c1)Br)O,
,,,B3R:A:402,valid,,,,,c1cc(cc(c1)Br)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:801,invalid,,,,,CC(C)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,5L41,,,,,,,
,,,6QC:E:409,valid,Kd,=,0.31,uM,C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,5WR2,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NX6:A:401,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O,
,,1KKK,,,,,,,
,,,PHQ ASP:A:317,valid,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,5WR5,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NX6:A:401,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,6GHX,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,ILE ILE:A:407,valid,,,,,O=C(NC(C=O)C(CC)C)C(N)C(CC)C,
,,,CD:A:405,invalid,,,,,[Cd+2],
,,1KR6,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ DGL:A:317,valid,,,,,O=C(OCc1ccccc1)NC(C(=O)[O-])CCC(=O)[O-],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,2TLX,,,,,,,
,,,CA:A:323,Part of Protein,,,,,[Ca+2],
,,,CA:A:324,Part of Protein,,,,,[Ca+2],
,,,CA:A:325,Part of Protein,,,,,[Ca+2],
,,,CA:A:326,Part of Protein,,,,,[Ca+2],
,,,DMS:A:321,invalid,,,,,CS(=O)C,
,,,VAL LYS:A:317,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:A:322,Part of Protein,,,,,[Zn+2],
,,1PE5,,,,,,,
,,,BR3 LEU LEN:A:322,valid,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,ZN:A:317,Part of Protein,,,,,[Zn+2],
,,4N4E,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:411,invalid,,,,,C(C(CO)O)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,2G6:E:412,valid,,,,,CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,5N34,,,,,,,
,,,MPD:E:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:411,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,8JQ:E:412,valid,,,,,CC(C)C[C@@H](C(=O)NCCN)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,1LNA,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:902,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,CO:E:900,Part of Protein,,,,,[Co+2],
,,,CO:E:903,Part of Protein,,,,,[Co+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,3ZI6,,,,,,,
,,,VAL LYS:A:1318,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,CA:A:1321,Part of Protein,,,,,[Ca+2],
,,,CA:A:1320,Part of Protein,,,,,[Ca+2],
,,,CA:A:1322,Part of Protein,,,,,[Ca+2],
,,,CA:A:1323,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1317,Part of Protein,,,,,[Zn+2],
,,6D5R,,,,,,,
,,,XYP:A:408,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:410,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:409,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:411,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,5TMN,,,,,,,
,,,0PJ:E:317,valid,Ki,=,9.1,nM,NULL,
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,ZN:E:322,Part of Protein,,,,,[Zn+2],
,,3NN7,,,,,,,
,,,BXA:A:601,valid,,,,,C(C(=O)O)Br,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1ZDP,,,,,,,
,,,CA:E:1001,Part of Protein,,,,,[Ca+2],
,,,CA:E:1002,Part of Protein,,,,,[Ca+2],
,,,CA:E:1003,Part of Protein,,,,,[Ca+2],
,,,CA:E:1004,Part of Protein,,,,,[Ca+2],
,,,TIO:E:1006,valid,Ki,=,1.8,uM,c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O,
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,,1FJT,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,DMS:A:374,invalid,,,,,CS(=O)C,
,,,VAL LYS:A:506,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6QF2,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,PE5:A:418,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,LEU LYS:A:406,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(C)C)CCCC[NH3+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,PEG:A:419,invalid,,,,,C(COCCO)O,
,,3MSN,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,NMU:A:601,valid,,,,,CNC(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4TLN,,,,,,,
,,,CA:A:317,Part of Protein,,,,,[Ca+2],
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,LNO:A:322,valid,Ki,=,190,uM,CC(C)C[C@@H](C(=O)NO)N,
,,,ZN:A:321,Part of Protein,,,,,[Zn+2],
,,4MWP,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,2GC:E:413,valid,,,,,CC(C)C[C@@H](C(=O)NCCc1ccccc1)NP(=O)(CNC(=O)OCc2ccccc2)O,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,GOL:E:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:411,invalid,,,,,C(C(CO)O)O,
,,1QF0,,,,,,,
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,CA:A:322,Part of Protein,,,,,[Ca+2],
,,,CA:A:323,Part of Protein,,,,,[Ca+2],
,,,CA:A:324,Part of Protein,,,,,[Ca+2],
,,,DMS:A:325,invalid,,,,,CS(=O)C,
,,,DMS:A:326,invalid,,,,,CS(=O)C,
,,,TI2:A:317,valid,Ki,=,42,nM,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@H](Cc3ccccc3)S,
,,,ZN:A:320,Part of Protein,,,,,[Zn+2],
,,6D5S,,,,,,,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,MRD:A:409,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:408,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,1KRO,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ DTH:A:317,valid,,,,,O=C(OCc1ccccc1)NC(C(=O)[O-])C(O)C,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1KJP,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ GLU:A:317,valid,,,,,,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1KL6,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ ALA:A:317,valid,,,,,O=C(OCc1ccccc1)NC(C(=O)[O-])C,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1Z9G,,,,,,,
,,,CA:E:1001,Part of Protein,,,,,[Ca+2],
,,,CA:E:1002,Part of Protein,,,,,[Ca+2],
,,,CA:E:1003,Part of Protein,,,,,[Ca+2],
,,,CA:E:1004,Part of Protein,,,,,[Ca+2],
,,,RRT:E:1006,valid,Ki,=,2.3,uM,c1ccc(cc1)C[C@H](CS)NC(=O)CC(=O)O,
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,,4MZN,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,2G9:E:412,valid,,,,,CC[C@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:408,invalid,,,,,C(C(CO)O)O,
,,5WR6,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NX6:A:401,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O,
,,6FSM,,,,,,,
,,,VAL LYS:A:410,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1QF2,,,,,,,
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,CA:A:322,Part of Protein,,,,,[Ca+2],
,,,CA:A:323,Part of Protein,,,,,[Ca+2],
,,,CA:A:324,Part of Protein,,,,,[Ca+2],
,,,DMS:A:325,invalid,,,,,CS(=O)C,
,,,DMS:A:326,invalid,,,,,CS(=O)C,
,,,DMS:A:327,invalid,,,,,CS(=O)C,
,,,TI3:A:317,valid,Ki,=,1200,nM,c1ccc(cc1)C[C@@H](C(=O)NCC(=O)N2[C@H](CC[C@H]2C(=O)O)c3ccccc3)S,
,,,ZN:A:320,Part of Protein,,,,,[Zn+2],
,,1KJO,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ THR:A:317,valid,,,,,,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1KTO,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ DAL:A:317,valid,,,,,,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1PE7,,,,,,,
,,,4BR LEU LEN:A:322,valid,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,DMS:A:325,invalid,,,,,CS(=O)C,
,,,ZN:A:317,Part of Protein,,,,,[Zn+2],
,,3TMN,,,,,,,
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,CA:E:322,Part of Protein,,,,,[Ca+2],
,,,VAL TRP:E:317,valid,,,,,,
,,,ZN:E:323,Part of Protein,,,,,[Zn+2],
,,5N2Z,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,8JH:E:410,valid,,,,,CC(C)C[C@@H](C(=O)NCCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,5JVI,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,6QC:E:411,valid,Kd,=,0.31,uM,C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)C,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,8TLN,,,,,,,
,,,CA:E:317,Part of Protein,,,,,[Ca+2],
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,DMS:E:324,invalid,,,,,CS(=O)C,
,,,VAL LYS:E:1322,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:E:321,Part of Protein,,,,,[Zn+2],
,,5M9W,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,7GR:A:412,valid,Kd,=,5.7,mM,CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O,
,,1LNF,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:902,Part of Protein,,,,,[Ca+2],
,,,CA:E:903,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:E:800,Part of Protein,,,,,[Zn+2],
,,3F28,,,,,,,
,,,CA:A:317,Part of Protein,,,,,[Ca+2],
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,S7B:A:5000,valid,,,,,Cc1cccc(c1OC(=O)C2CC2)C(=O)O,
,,,ZN:A:321,Part of Protein,,,,,[Zn+2],
,,5WR3,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NX6:A:401,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O,
,,4OI5,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,2G6:E:406,valid,,,,,CC(C)C[C@@H](C(=O)NCCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,1QF1,,,,,,,
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,,,CA:A:322,Part of Protein,,,,,[Ca+2],
,,,CA:A:323,Part of Protein,,,,,[Ca+2],
,,,CA:A:324,Part of Protein,,,,,[Ca+2],
,,,DMS:A:325,invalid,,,,,CS(=O)C,
,,,DMS:A:326,invalid,,,,,CS(=O)C,
,,,TI1:A:317,valid,Ki,=,48,nM,CCCCC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O)S,
,,,ZN:A:320,Part of Protein,,,,,[Zn+2],
,,1TLP,,,,,,,
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,RDF:E:317,valid,Ki,=,28,nM,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,ZN:E:322,Part of Protein,,,,,[Zn+2],
,,5N2T,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,8KK:E:410,valid,,,,,CC(C)C[C@@H](C(=O)NCCCN)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,3FCQ,,,,,,,
,,,CA:A:323,Part of Protein,,,,,[Ca+2],
,,,CA:A:324,Part of Protein,,,,,[Ca+2],
,,,CA:A:325,Part of Protein,,,,,[Ca+2],
,,,CA:A:326,Part of Protein,,,,,[Ca+2],
,,,M3S:A:600,valid,Ki,=,1.7,mM,Cc1cccc(c1OC(=O)C)C(=O)O,
,,,ZN:A:322,Part of Protein,,,,,[Zn+2],
,,5JS3,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,6MG:E:411,valid,Kd,=,0.185,uM,C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C,
,,5M5F,,,,,,,
,,,KR:E:413,invalid,,,,,[Kr],
,,,KR:E:414,invalid,,,,,[Kr],
,,,DMS:E:412,invalid,,,,,CS(=O)C,
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,7GR:E:408,valid,Kd,=,5.7,mM,CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O,
,,5LVD,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,79F:E:410,valid,Kd,=,2.4,mM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,5MA7,,,,,,,
,,,7K0:E:412,valid,Kd,=,0.336,mM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CN)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,1TLX,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,DMS:A:1000,invalid,,,,,CS(=O)C,
,,,VAL LYS:A:317,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,6D5Q,,,,,,,
,,,XYP:A:408,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:409,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,5N3V,,,,,,,
,,,MPD:E:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:408,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,8L5:E:406,valid,,,,,[H].[H].[H].CC(C)C[C@@H](C(=O)NCN)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,5TLN,,,,,,,
,,,BAN:A:322,valid,Ki,=,0.43,uM,C[C@@H](C(=O)NCC(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)C(Cc2ccccc2)C(=O)NO,
,,,CA:A:317,Part of Protein,,,,,[Ca+2],
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,CA:A:320,Part of Protein,,,,,[Ca+2],
,,,ZN:A:321,Part of Protein,,,,,[Zn+2],
,,5L8P,,,,,,,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,6MG:E:406,valid,Kd,=,0.185,uM,C[C@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,5L3U,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,6NG:E:409,valid,Kd,=,0.354,uM,C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C,
,,6D5N,,,,,,,
,,,XYP:A:408,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:409,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,5MNR,,,,,,,
,,,MPD:E:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,JC2:E:409,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](CCN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,6D5U,,,,,,,
,,,MOH:A:415,invalid,,,,,CO,
,,,MOH:A:412,invalid,,,,,CO,
,,,MOH:A:416,invalid,,,,,CO,
,,,MOH:A:410,invalid,,,,,CO,
,,,MOH:A:417,invalid,,,,,CO,
,,,MOH:A:413,invalid,,,,,CO,
,,,MOH:A:409,invalid,,,,,CO,
,,,MOH:A:408,invalid,,,,,CO,
,,,MOH:A:414,invalid,,,,,CO,
,,,MOH:A:411,invalid,,,,,CO,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,1TMN,,,,,,,
,,,0ZN:E:317,valid,Ki,=,50,nM,CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O,
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,ZN:E:322,Part of Protein,,,,,[Zn+2],
,,3F2P,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,DMS:A:4000,invalid,,,,,CS(=O)C,
,,,S3B:A:3000,valid,,,,,CCC(=O)Oc1c(cccc1C(=O)O)C,
,,,ZN:A:2005,Part of Protein,,,,,[Zn+2],
,,1THL,,,,,,,
,,,0DB:A:320,valid,Ki,=,0.38,uM,NULL,
,,,CA:A:3231,Part of Protein,,,,,[Ca+2],
,,,CA:A:3232,Part of Protein,,,,,[Ca+2],
,,,CA:A:3233,Part of Protein,,,,,[Ca+2],
,,,CA:A:3234,Part of Protein,,,,,[Ca+2],
,,,ZN:A:324,Part of Protein,,,,,[Zn+2],
,,1OS0,,,,,,,
,,,0PQ:A:605,valid,Ki,=,0.93,uM,c1ccc(cc1)C[C@H](C[P@@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,DMS:A:350,invalid,,,,,CS(=O)C,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,5JXN,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,6NN:E:411,valid,Kd,=,0.388,uM,CC[C@@H](C)CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:410,invalid,,,,,C(C(CO)O)O,
,,6FJ2,,,,,,,
,,,DMS:A:1406,invalid,,,,,CS(=O)C,
,,,TMO:A:1407,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1409,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1408,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1410,invalid,,,,,C[N+](C)(C)[O-],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,CA:A:1403,Part of Protein,,,,,[Ca+2],
,,,CA:A:1405,Part of Protein,,,,,[Ca+2],
,,,CA:A:1402,Part of Protein,,,,,[Ca+2],
,,,CA:A:1404,Part of Protein,,,,,[Ca+2],
,,,VAL LYS:A:1411,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,6TMN,,,,,,,
,,,0PI:E:317,valid,,,,,NULL,
,,,CA:E:318,Part of Protein,,,,,[Ca+2],
,,,CA:E:319,Part of Protein,,,,,[Ca+2],
,,,CA:E:320,Part of Protein,,,,,[Ca+2],
,,,CA:E:321,Part of Protein,,,,,[Ca+2],
,,,ZN:E:322,Part of Protein,,,,,[Zn+2],
,,6D5O,,,,,,,
,,,DMF:A:408,invalid,,,,,CN(C)C=O,
,,,DMF:A:411,invalid,,,,,CN(C)C=O,
,,,DMF:A:409,invalid,,,,,CN(C)C=O,
,,,DMF:A:410,invalid,,,,,CN(C)C=O,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:401,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,1KS7,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PHQ DAS:A:317,valid,,,,,O=C(OCc1ccccc1)NC(C(=O)[O-])CC(=O)[O-],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,5DPE,,,,,,,
,,,GOL:E:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:411,invalid,,,,,C(C(CO)O)O,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,CA:E:406,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,5H8:E:401,valid,,,,,CC(C)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,5LWD,,,,,,,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,79E:E:411,valid,Kd,=,0.57,uM,CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:410,invalid,,,,,C(C(CO)O)O,
,,4N66,,,,,,,
,,,DMS:E:507,invalid,,,,,CS(=O)C,
,,,DMS:E:508,invalid,,,,,CS(=O)C,
,,,DMS:E:506,invalid,,,,,CS(=O)C,
,,,DMS:E:509,invalid,,,,,CS(=O)C,
,,,CA:E:504,Part of Protein,,,,,[Ca+2],
,,,CA:E:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:502,Part of Protein,,,,,[Ca+2],
,,,CA:E:505,Part of Protein,,,,,[Ca+2],
,,,GOL:E:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:510,invalid,,,,,C(C(CO)O)O,
,,,2GZ:E:513,valid,,,,,CC(C)C[C@@H](C(=O)NCC(C)(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,1LND,,,,,,,
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:902,Part of Protein,,,,,[Ca+2],
,,,CA:E:903,Part of Protein,,,,,[Ca+2],
,,,CA:E:904,Part of Protein,,,,,[Ca+2],
,,,DMS:E:320,invalid,,,,,CS(=O)C,
,,,VAL LYS:E:1321,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:E:800,Part of Protein,,,,,[Zn+2],
,,,ZN:E:801,Part of Protein,,,,,[Zn+2],
,,5DPF,,,,,,,
,,,GOL:E:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:411,invalid,,,,,C(C(CO)O)O,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,CA:E:406,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,5H9:E:401,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](CC(C)(C)C)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,6QF3,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,P33:A:406,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ASP:A:427,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:428,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,PGE:A:426,invalid,,,,,C(COCCOCCO)O,
,,5FXN,,,,,,,
,,,CA:A:1323,Part of Protein,,,,,[Ca+2],
,,,CA:A:1322,Part of Protein,,,,,[Ca+2],
,,,CA:A:1320,Part of Protein,,,,,[Ca+2],
,,,CA:A:1321,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1317,Part of Protein,,,,,[Zn+2],
,,,VAL LYS:A:1318,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,5N3Y,,,,,,,
,,,MPD:E:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:E:406,invalid,,,,,CS(=O)C,
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,8L2:E:411,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](CN)C(=O)O)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,5M69,,,,,,,
,,,DMS:E:413,invalid,,,,,CS(=O)C,
,,,DMS:E:412,invalid,,,,,CS(=O)C,
,,,DMS:E:414,invalid,,,,,CS(=O)C,
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,XE:E:410,invalid,,,,,[Xe],
,,,XE:E:409,invalid,,,,,[Xe],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,7GR:E:408,valid,Kd,=,5.7,mM,CC(C)C[C@@H](C(=O)O)NC(=O)CNP(=O)(CNC(=O)OCc1ccccc1)O,
,,1KEI,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,VAL LYS:A:1001,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,4N5P,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,2H0:E:412,valid,,,,,CC(C)CCNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:408,invalid,,,,,C(C(CO)O)O,
,,,ZN:E:405,Part of Protein,,,,,[Zn+2],
,,4MTW,,,,,,,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:408,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:407,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,2G7:E:412,valid,,,,,CC(C)C[C@@H](C(=O)NCC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:411,invalid,,,,,C(C(CO)O)O,
,,5JSS,,,,,,,
,,,6NG:E:406,valid,Kd,=,0.354,uM,C[C@@H](CNC(=O)[C@H](CC(C)C)NP(=O)(CNC(=O)OCc1ccccc1)O)C(C)(C)C,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,DMS:E:411,invalid,,,,,CS(=O)C,
,,,DMS:E:409,invalid,,,,,CS(=O)C,
,,,DMS:E:410,invalid,,,,,CS(=O)C,
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:403,Part of Protein,,,,,[Ca+2],
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:E:404,Part of Protein,,,,,[Ca+2],
,,,GOL:E:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5A3Y,,,,,,,
,,,TMO:A:1326,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1325,invalid,,,,,C[N+](C)(C)[O-],
,,,CA:A:1318,Part of Protein,,,,,[Ca+2],
,,,CA:A:1319,Part of Protein,,,,,[Ca+2],
,,,CA:A:1321,Part of Protein,,,,,[Ca+2],
,,,CA:A:1320,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1317,Part of Protein,,,,,[Zn+2],
,,,DMS:A:1324,invalid,,,,,CS(=O)C,
,,,VAL LYS:A:1322,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
2.5.1.55,,,,,,,,,
,Family. Representative Entry is ,1G7V,,,,,,,
,,,PAI:A:300,valid,Kd,=,0.4,uM,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O,
,,1PHW,,,,,,,
,,,N:A:70,valid,Ki,=,0.5,mM,C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,4Z1D,,,,,,,
,,,PEP:B:300,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:300,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2NX1,,,,,,,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,RP5:A:1269,valid,Kd,=,0.02,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:B:2269,valid,Kd,=,0.02,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,2A2I,,,,,,,
,,,A5P:A:1269,valid,Kd,=,0.04,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:2269,valid,Kd,=,0.04,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,ZN:A:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2270,Part of Protein,,,,,[Zn+2],
,,1LRQ,,,,,,,
,,,A5P:A:1269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ZJI,,,,,,,
,,,2PG:A:1268,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:2268,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,R5P:A:1269,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,1FY6,,,,,,,
,,,A5P:A:1269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PO4:A:1268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3E12,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,CU:A:270,Part of Protein,,,,,[Cu+2],
,,,CU:B:270,Part of Protein,,,,,[Cu+2],
,,,KD0:A:268,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O,
,,,KD0:B:268,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)C(=O)C(=O)O,
,,,PO4:A:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ZHA,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,Kd,=,0.04,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,Kd,=,0.04,uM,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,R5P:A:1269,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,2NWS,,,,,,,
,,,A5P:A:1269,valid,Kd,=,5.44,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:2269,valid,Kd,=,5.44,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1T8X,,,,,,,
,,,A5P:A:1269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2NWR,,,,,,,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FXQ,,,,,,,
,,,A5P:A:1269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:2269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1FWN,,,,,,,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JCY,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,R5P:A:1269,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,1LRO,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PCK,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEZ:A:1268,valid,,,,,CCC(C(=O)O)OP(=O)(O)O,
,,,PEZ:B:2268,valid,,,,,CCC(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3E0I,,,,,,,
,,,CU:A:3270,Part of Protein,,,,,[Cu+2],
,,,CU:B:4270,Part of Protein,,,,,[Cu+2],
,,,PEP:A:3268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:4268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:3269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2NXG,,,,,,,
,,,1NT:B:2269,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O,
,,,A5P:A:1269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,2NXI,,,,,,,
,,,PEP:A:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:E:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:F:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:G:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:G:269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:H:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:H:269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:I:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:I:269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:J:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:K:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:L:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2NX3,,,,,,,
,,,1NT:D:268,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[C@@](C(=O)O)(O)OP(=O)(O)O,
,,,A5P:A:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:C:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:E:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:F:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:G:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:H:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:I:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:J:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:K:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:L:269,valid,Kd,=,17,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:E:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:F:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:G:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:H:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:I:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:J:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:K:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:L:268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1T96,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2NXH,,,,,,,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:1270,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:1271,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:E:1272,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:F:1273,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:G:1274,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:H:1275,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:I:1276,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:J:1277,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:K:1278,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:L:1279,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1281,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1282,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1283,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1284,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:1285,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:1286,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:1287,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:1288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:1289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:1290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:1291,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2EF9,,,,,,,
,,,A5P:A:1269,valid,Kd,=,14.18,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,A5P:B:2269,valid,Kd,=,14.18,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1FWT,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,E4P:A:1269,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PE1,,,,,,,
,,,2PG:A:1268,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:2268,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2A21,,,,,,,
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2270,Part of Protein,,,,,[Zn+2],
,,1JCX,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PAI:A:1300,valid,Ki,=,7,uM,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O,
,,,PAI:B:2300,valid,Ki,=,7,uM,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[N@](CC(O)O)CP(=O)(O)O,
,,1FWW,,,,,,,
,,,A5P:A:1269,valid,,,,,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FWS,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:2268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PO4:A:1269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PCW,,,,,,,
,,,CD:A:1270,invalid,,,,,[Cd+2],
,,,CD:B:2270,invalid,,,,,[Cd+2],
,,,H4P:A:1268,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O,
,,,H4P:B:2268,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)NCP(=O)(O)O,
,Family. Representative Entry is ,3FYP,,,,,,,
,,,CL:A:281,invalid,,,,,[Cl-],
,,,CL:D:282,invalid,,,,,[Cl-],
,,,GOL:B:2647,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:281,invalid,,,,,C(C(CO)O)O,
,,,MN:D:284,Part of Protein,,,,,[Mn+2],
,,,NA:C:281,Part of Protein,,,,,[Na+],
,,,NA:D:283,Part of Protein,,,,,[Na+],
,,,PEP:D:281,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,3FYO,,,,,,,
,,,CL:B:281,invalid,,,,,[Cl-],
,,,CL:C:281,invalid,,,,,[Cl-],
,,,MN:D:282,Part of Protein,,,,,[Mn+2],
,,,NA:C:282,Part of Protein,,,,,[Na+],
,,,PEP:D:281,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
2.1.1.235,,,,,,,,,
,Family. Representative Entry is ,3PFG,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,SAM:A:264,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,TLO:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,6M81,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TLO:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:D:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:C:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,4OQE,,,,,,,
,,,MMF:B:301,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O,
,,,MMF:A:301,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC)O,
,,,SAH:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6M83,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TLO:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,4OQD,,,,,,,
,,,SAH:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,QDM:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O,
,,,QDM:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O,
,,,QDM:D:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O,
,,,QDM:C:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C)O,
,,3PX2,,,,,,,
,,,EDO:D:264,invalid,,,,,C(CO)O,
,,,EDO:D:265,invalid,,,,,C(CO)O,
,,,SAH:A:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,T3Q:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:D:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,3PFH,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,SAH:A:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,T3Q:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:D:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,6M82,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TLO:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,3PX3,,,,,,,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,SAH:A:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,T3Q:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:D:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
1.2.7.1,,,,,,,,,
,Family. Representative Entry is ,2C42,,,,,,,
,,,CA:A:3239,Part of Protein,,,,,[Ca+2],
,,,CA:B:3239,Part of Protein,,,,,[Ca+2],
,,,MG:A:3238,Part of Protein,,,,,[Mg+2],
,,,MG:B:3238,Part of Protein,,,,,[Mg+2],
,,,PYR:A:3237,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:3237,valid,,,,,CC(=O)C(=O)O,
,,,SF4:A:3233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:3234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:3235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:A:3236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:3236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2C3U,,,,,,,
,,,2TP:A:2236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,2TP:B:2236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2NO)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,CA:A:2239,Part of Protein,,,,,[Ca+2],
,,,CA:B:2239,Part of Protein,,,,,[Ca+2],
,,,MG:A:2238,Part of Protein,,,,,[Mg+2],
,,,MG:B:2238,Part of Protein,,,,,[Mg+2],
,,,PYR:A:2237,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:2237,valid,,,,,CC(=O)C(=O)O,
,,,SF4:A:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1B0P,,,,,,,
,,,CA:A:1238,Part of Protein,,,,,[Ca+2],
,,,CA:B:1238,Part of Protein,,,,,[Ca+2],
,,,MG:A:1237,Part of Protein,,,,,[Mg+2],
,,,MG:B:1237,Part of Protein,,,,,[Mg+2],
,,,SF4:A:1233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:A:1236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2C3M,,,,,,,
,,,CA:A:2239,Part of Protein,,,,,[Ca+2],
,,,CA:B:2239,Part of Protein,,,,,[Ca+2],
,,,CL:A:2237,invalid,,,,,[Cl-],
,,,CL:B:2237,invalid,,,,,[Cl-],
,,,MG:A:2238,Part of Protein,,,,,[Mg+2],
,,,MG:B:2238,Part of Protein,,,,,[Mg+2],
,,,SF4:A:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:A:2236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2236,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1KEK,,,,,,,
,,,CA:A:2238,Part of Protein,,,,,[Ca+2],
,,,CA:B:3238,Part of Protein,,,,,[Ca+2],
,,,CO2:A:2240,invalid,,,,,C(=O)=O,
,,,CO2:B:3240,invalid,,,,,C(=O)=O,
,,,HTL:A:2236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,HTL:B:3236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:2237,Part of Protein,,,,,[Mg+2],
,,,MG:B:3237,Part of Protein,,,,,[Mg+2],
,,,SF4:A:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:3235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2C3Y,,,,,,,
,,,CA:A:2238,Part of Protein,,,,,[Ca+2],
,,,CA:B:2238,Part of Protein,,,,,[Ca+2],
,,,CO2:A:2239,invalid,,,,,C(=O)=O,
,,,CO2:B:2239,invalid,,,,,C(=O)=O,
,,,HTL:A:2236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,HTL:B:2236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:2237,Part of Protein,,,,,[Mg+2],
,,,MG:B:2237,Part of Protein,,,,,[Mg+2],
,,,SF4:A:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2C3P,,,,,,,
,,,1TP:A:2236,valid,,,,,Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,1TP:B:2236,valid,,,,,Cc1ncc(c(n1)N)C[N@@]2C([C@@H](S[C@@H]2[C@](C)(C(=O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,CA:A:2238,Part of Protein,,,,,[Ca+2],
,,,CA:B:2238,Part of Protein,,,,,[Ca+2],
,,,MG:A:2237,Part of Protein,,,,,[Mg+2],
,,,MG:B:2237,Part of Protein,,,,,[Mg+2],
,,,SF4:A:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2UZA,,,,,,,
,,,CA:A:1239,Part of Protein,,,,,[Ca+2],
,,,CA:B:1239,Part of Protein,,,,,[Ca+2],
,,,CO2:A:1240,invalid,,,,,C(=O)=O,
,,,CO2:B:1240,invalid,,,,,C(=O)=O,
,,,HTL:A:1236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,HTL:B:1236,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1238,Part of Protein,,,,,[Mg+2],
,,,MG:B:1238,Part of Protein,,,,,[Mg+2],
,,,SF4:A:1233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1233,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1234,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1235,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
2.1.1.107,,,,,,,,,
,Family. Representative Entry is ,1PJS,,,,,,,
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:505,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:506,invalid,,,,,C(COCCOCCO)O,
,,,PO4:B:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PQZ,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6P7D,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,6PR2,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,MES:A:602,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SAH:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PR1,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,SAH:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PR0,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PR3,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,SAH:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PR4,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6P5X,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SHN:B:502,Part of Protein,,,,,CC1(/c/2c/c3n/c(cc4c(c(c([nH]4)cc5nc(/cc([nH]2)/C1CCC(=O)O)C(=C5CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)/C(C3CCC(=O)O)(C)CC(=O)O)CC(=O)O,
,,1PJQ,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1V9A,,,,,,,
,,,FLC:A:601,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:602,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2YBQ,,,,,,,
,,,SAH:A:1267,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,UP2:A:1268,valid,,,,,C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O,
,,2YBO,,,,,,,
,,,SAH:A:1267,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.6.3.19,,,,,,,,,
,Family. Representative Entry is ,2AWN,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3RLF,,,,,,,
,,,ANP:A:2501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,PGV:F:4001,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4002,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4006,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4009,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,UMQ:E:5004,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3PUV,,,,,,,
,,,ADP VO4:B:2502,valid,,,,,,
,,,ADP VO4:A:2501,valid,,,,,,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,PGV:F:4001,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4002,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4008,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4010,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4003,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4004,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4005,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4006,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4007,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4009,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,UMQ:F:5004,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3PUW,,,,,,,
,,,ADP ALF:A:2501,valid,,,,,,
,,,ADP ALF:B:2502,valid,,,,,,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,PGV:F:4001,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4002,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4008,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4010,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4003,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4004,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4005,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4006,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4007,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4009,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,UMQ:F:5004,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3PUX,,,,,,,
,,,ADP BEF:A:2501,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:B:2502,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,PGV:F:4001,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4002,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4008,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:4010,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4003,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4004,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4005,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4006,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4007,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:4009,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,UMQ:E:5004,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4KI0,,,,,,,
,,,UMQ:G:302,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:F:608,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:301,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:F:607,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:307,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:F:609,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:E:401,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:305,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:306,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:304,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:G:303,invalid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PGV:F:606,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:F:605,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,ANP:A:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
3.6.1.32,,,,,,,,,
,Family. Representative Entry is ,1LVK,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MNT BEF:A:999,valid,Kd,=,1.2,uM,P(=O)(OP(=O)([O-])[O-])(OCC1C(OC(=O)c2c(NC)cccc2)=CC(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,1MMA,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,1YV3,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BIT:A:800,valid,,,,,Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,VO4:A:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,3BZ7,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BL4:A:800,valid,,,,,Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,VO4:A:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1D0Y,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,ONP:A:999,valid,,,,,[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccccc1[N+](=O)[O-])(F)(F)F,
,,3BZ9,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BL7:A:800,valid,,,,,c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,VO4:A:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1D1A,,,,,,,
,,,DAE:A:999,valid,,,,,[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,2XO8,,,,,,,
,,,AD9:A:1779,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,H70:A:1778,valid,,,,,c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl,
,,,MG:A:1780,Part of Protein,,,,,[Mg+2],
,,1D0Z,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,PNQ:A:999,valid,,,,,[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1ccc(cc1)[N+](=O)[O-])(F)(F)F,
,,1D1C,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,NMQ:A:999,valid,,,,,[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1[N+](=O)[O-])(F)(F)F,
,,2JJ9,,,,,,,
,,,AD9:A:1694,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,MG:A:1695,Part of Protein,,,,,[Mg+2],
,,3MYH,,,,,,,
,,,ADP:X:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BIT:X:800,valid,,,,,Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O,
,,,MG:X:997,Part of Protein,,,,,[Mg+2],
,,,VO4:X:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1MMD,,,,,,,
,,,ADP BEF:A:999,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,1D0X,,,,,,,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,MNQ:A:999,valid,,,,,[Be-](O[P@@](=O)(O)O[P@](=O)(O)OCCNc1cccc(c1)[N+](=O)[O-])(F)(F)F,
,,1FMW,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,4PJK,,,,,,,
,,,PO4:A:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3MJX,,,,,,,
,,,AD9:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,BIT:A:902,valid,,,,,Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,2XEL,,,,,,,
,,,AD9:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,IA2:A:999,valid,,,,,c1c(cc(c(c1c2c(c(c([nH]2)Cl)Cl)Cl)O)Cl)Cl,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,1MMN,,,,,,,
,,,ANP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,3MYK,,,,,,,
,,,ANP:X:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BIT:X:800,valid,,,,,Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O,
,,,MG:X:998,Part of Protein,,,,,[Mg+2],
,,1MMG,,,,,,,
,,,AGS:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,1VOM,,,,,,,
,,,ADP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,VO4:A:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,3BZ8,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BL6:A:800,valid,,,,,Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,VO4:A:998,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1D1B,,,,,,,
,,,DAQ:A:999,valid,,,,,[Be](O[P@@](=O)(O)O[P@](=O)(O)OCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(F)(F)F,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
2.3.2.-,,,,,,,,,
,Family. Representative Entry is ,5HWK,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BEZ:A:301,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:301,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,5DVP,,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,POA:A:503,valid,,,,,C(C=O)P(=O)(O)O,
,,,POA:B:502,valid,,,,,C(C=O)P(=O)(O)O,
,,,DRW:A:501,invalid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N,
,,,DRW:B:501,invalid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@H](C=O)[C@@H](C)O)C(=O)O)S[C@H]2C[C@H](NC2)CNS(=O)(=O)N,
3.4.17.-,,,,,,,,,
,Family. Representative Entry is ,2PCU,,,,,,,
,,,ASP:B:6,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PHE ASN ARG PRO VAL:B:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CC(=O)N)CCCNC(=[NH2+])N)CCC1)C(C)C,
,,,SCN:A:502,invalid,,,,,C(#N)[S-],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
3.4.23.5,,,,,,,,,
,Family. Representative Entry is ,1LYB,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:1,valid,Ki,=,3.8,pM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:J:1,valid,Ki,=,3.8,pM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,NAG:B:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6QCB,,,,,,,
,,,NAG:C:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO3:A:101,invalid,,,,,[O-][P-](=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:105,invalid,,,,,CS(=O)C,
,,,HWE:A:102,valid,ic50,=,5.8,nM,CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6QBH,,,,,,,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,S43:A:103,valid,ic50,=,2.5,nM,CC(C)[C@H]1C(=O)NCCCCCCCCCCCOC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccccc2,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QBG,,,,,,,
,,,HVT:B:402,valid,ic50,=,0.6,nM,CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2,
,,,HVT:A:103,valid,ic50,=,0.6,nM,CC(C)[C@H]1C(=O)NCCCCCCCCCCCC(=O)N[C@H]([C@H](CC(=O)N1)O)Cc2ccc3ccccc3c2,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:105,invalid,,,,,CS(=O)C,
,,,DMS:A:104,invalid,,,,,CS(=O)C,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4OD9,,,,,,,
,,,ACT:D:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,2RZ:D:402,valid,ic50,=,58,nM,[H]/N=C(N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC,
,,,2RZ:A:103,valid,ic50,=,58,nM,[H]/N=C(N[C@H](Cc1ccccc1)C(=O)NCc2ccc(c(c2)OC)OC)/NC(=O)Cc3ccc(c(c3)OC)OC,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
2.7.1.158,,,,,,,,,
,Family. Representative Entry is ,6FL8,,,,,,,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,TIY:B:501,valid,Ki,=,1.08,uM,c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O,
,,,TIY:A:501,valid,Ki,=,1.08,uM,c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,TRS:B:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4AXD,,,,,,,
,,,ANP:A:600,valid,Kd,=,37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CIT:A:1440,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:A:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,2XAN,,,,,,,
,,,5MY:A:500,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,5MY:B:500,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,ANP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1438,Part of Protein,,,,,[Mg+2],
,,,MG:B:1439,Part of Protein,,,,,[Mg+2],
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,,4AXE,,,,,,,
,,,ADP:A:1435,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1436,Part of Protein,,,,,[Zn+2],
,,6FL3,,,,,,,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B3P:B:506,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:506,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,5MY:A:501,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,5MY:B:501,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,6FJK,,,,,,,
,,,TRS:B:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I6P:B:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,I6P:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,2XAM,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I6P:A:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,I6P:B:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:1128,Part of Protein,,,,,[Mg+2],
,,,MG:A:1129,Part of Protein,,,,,[Mg+2],
,,,MG:B:1030,Part of Protein,,,,,[Mg+2],
,,,MG:B:1031,Part of Protein,,,,,[Mg+2],
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5MW8,,,,,,,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,5MY:A:502,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3UDZ,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IHP:A:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
1.14.15.11,,,,,,,,,
,Family. Representative Entry is ,4UBS,,,,,,,
,,,PGE:A:508,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:507,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:505,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:506,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:512,invalid,,,,,C(COCCO)O,
,,,PEG:A:516,invalid,,,,,C(COCCO)O,
,,,PEG:A:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:511,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:519,invalid,,,,,C(COCCO)O,
,,,PEG:A:514,invalid,,,,,C(COCCO)O,
,,,PEG:A:517,invalid,,,,,C(COCCO)O,
,,,PEG:A:515,invalid,,,,,C(COCCO)O,
,,,PEG:A:518,invalid,,,,,C(COCCO)O,
,,,PEG:A:522,invalid,,,,,C(COCCO)O,
,,,PEG:A:521,invalid,,,,,C(COCCO)O,
,,,PEG:A:520,invalid,,,,,C(COCCO)O,
,,,PEG:A:513,invalid,,,,,C(COCCO)O,
,,,PO4:A:523,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DIF:A:503,valid,Kd,=,65,uM,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:A:502,valid,Kd,=,65,uM,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.7.7.24,,,,,,,,,
,Family. Representative Entry is ,1H5T,,,,,,,
,,,DAU:A:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:C:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:D:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,SO4:D:1294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYD:A:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1IIM,,,,,,,
,,,TTP:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1IIN,,,,,,,
,,,UPG:A:1501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:1502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:1503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:1504,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1MP3,,,,,,,
,,,TTP:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1MP4,,,,,,,
,,,UPG:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3PKQ,,,,,,,
,,,DGT:A:500,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:500,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:500,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:500,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,PEG:A:293,invalid,,,,,C(COCCO)O,
,,,PEG:A:294,invalid,,,,,C(COCCO)O,
,,,PEG:C:293,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6B5K,,,,,,,
,,,TTP MG :A:301,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,MG  TTP:B:301,invalid,,,,,,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,TYD:B:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6B5E,,,,,,,
,,,DAU:D:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:H:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:E:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:G:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:E:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:F:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:F:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,NA:C:304,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,TYD:B:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:H:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:G:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:G:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:E:303,Part of Protein,,,,,[Mg+2],
,,,MG:H:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:303,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,EDO:A:305,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1H5R,,,,,,,
,,,G1P:A:1294,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:1294,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:C:1294,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:D:1294,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,SO4:A:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:A:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,Family. Representative Entry is ,1H5S,,,,,,,
,,,TMP:A:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1292,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1293,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,1LVW,,,,,,,
,,,CL:A:4001,invalid,,,,,[Cl-],
,,,CL:B:4002,invalid,,,,,[Cl-],
,,,CL:C:4003,invalid,,,,,[Cl-],
,,,CL:C:4005,invalid,,,,,[Cl-],
,,,CL:D:4004,invalid,,,,,[Cl-],
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2011,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2010,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2006,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYD:A:3001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:3002,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:3003,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:3004,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:3005,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:3006,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:3007,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:3008,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
1.1.99.-,,,,,,,,,
,Family. Representative Entry is ,6RHT,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6R9V,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1RHC,,,,,,,
,,,CL:A:391,invalid,,,,,[Cl-],
,,,CL:A:392,invalid,,,,,[Cl-],
,,,F42 ACN:A:351,valid,,,,,P(=O)(OC(C(=O)NC(C(=O)[O-])CCC(=O)NC(C(=O)[O-])CCC(=O)[O-])C)(OCC(O)C(O)C(O)CN1c2c(C(CC(=O)C)C=3C(=O)NC(=O)NC1=3)ccc(O)c2)[O-],
,,,K:A:397,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,5A04,,,,,,,
,,,DIO:C:1344,invalid,,,,,C1COCCO1,
,,,DIO:E:1343,invalid,,,,,C1COCCO1,
,,,DIO:A:1342,invalid,,,,,C1COCCO1,
,,,DIO:C:1343,invalid,,,,,C1COCCO1,
,,,DIO:F:1343,invalid,,,,,C1COCCO1,
,,,NDP:D:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,BGC:A:1341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:1342,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:1341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:F:1342,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:1341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:E:1342,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:E:1341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:F:1341,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:E:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A02,,,,,,,
,,,GOL:D:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,valid,,,,,C(C(CO)O)O,
,,,GOL:F:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1341,valid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,valid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1341,valid,,,,,C(C(CO)O)O,
,,,GOL:D:1341,valid,,,,,C(C(CO)O)O,
,,,GOL:F:1342,valid,,,,,C(C(CO)O)O,
,,,GOL:E:1344,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:A:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5A05,,,,,,,
,,,NDP:D:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,MLI:F:1341,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1341,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1342,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,BGC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5A06,,,,,,,
,,,NDP:D:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SOR:C:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:A:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:1343,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:E:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:E:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:F:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:A:1343,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:F:1343,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:F:1344,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:A:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:1342,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:C:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:F:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:1343,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:1344,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:1341,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:A:1344,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SO4:E:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A03,,,,,,,
,,,NDP:D:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:F:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP:F:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:E:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1344,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:1342,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1343,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:E:1343,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1342,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:E:1342,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:1342,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:1341,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:B:1342,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:E:1344,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,DIO:D:1344,invalid,,,,,C1COCCO1,
,,,DIO:D:1343,invalid,,,,,C1COCCO1,
,Family. Representative Entry is ,1YIQ,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PGR:A:803,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:804,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:805,invalid,,,,,C[C@H](CO)O,
,,,PQQ:A:801,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
5.3.2.-,,,,,,,,,
,Family. Representative Entry is ,2OEM,,,,,,,
,,,1AE:A:901,valid,,,,,CCCC(=O)/C(=C/OP(=O)(O)O)/O,
,,,1AE:B:902,valid,,,,,CCCC(=O)/C(=C/OP(=O)(O)O)/O,
,,,MG:A:911,Part of Protein,,,,,[Mg+2],
,,,MG:B:912,Part of Protein,,,,,[Mg+2],
1.5.1.42,,,,,,,,,
,Family. Representative Entry is ,4LTN,,,,,,,
,,,NAI:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,FMN:A:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LTM,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
1.3.1.48,,,,,,,,,
,Family. Representative Entry is ,2ZB4,,,,,,,
,,,5OP:A:600,valid,,,,,CCCCCC(=O)C=C[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZB7,,,,,,,
,,,NCA:A:901,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NDP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2ZB8,,,,,,,
,,,IMN:A:800,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,NAP:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2ZB3,,,,,,,
,,,NDP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2DM6,,,,,,,
,,,IMN:A:1401,valid,ic50,=,97.9,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,NAP:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TAM:B:5000,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,1V3V,,,,,,,
,,,5OP:A:1360,valid,,,,,CCCCCC(=O)C=C[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O,
,,,5OP:B:2360,valid,,,,,CCCCCC(=O)C=C[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O,
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:B:1001,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:B:1006,invalid,,,,,[Cl-],
,,,NAP:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1V3T,,,,,,,
,,,NAP:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.13.11.3,,,,,,,,,
,Family. Representative Entry is ,3PCJ,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,INO:M:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:N:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:O:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:P:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:Q:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:R:550,valid,Kd,=,0.06,uM,c1c[n+](c(cc1C(=O)O)O)[O-],
,,3PCN,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,DHY:M:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:N:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:O:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:P:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:Q:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:R:550,valid,Kd,=,220,uM,c1cc(c(cc1CC(=O)O)O)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,1YKN,,,,,,,
,,,DHB:B:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:D:1550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:F:2550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:H:3550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:J:4550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:L:5550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,,FE:D:1600,Part of Protein,,,,,[Fe+3],
,,,FE:F:2600,Part of Protein,,,,,[Fe+3],
,,,FE:H:3600,Part of Protein,,,,,[Fe+3],
,,,FE:J:4600,Part of Protein,,,,,[Fe+3],
,,,FE:L:5600,Part of Protein,,,,,[Fe+3],
,,1YKL,,,,,,,
,,,DHB:B:550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:D:1550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:F:2550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:H:3550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:J:4550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:L:5550,valid,Kd,=,57,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,,FE:D:600,Part of Protein,,,,,[Fe+3],
,,,FE:F:600,Part of Protein,,,,,[Fe+3],
,,,FE:H:600,Part of Protein,,,,,[Fe+3],
,,,FE:J:600,Part of Protein,,,,,[Fe+3],
,,,FE:L:600,Part of Protein,,,,,[Fe+3],
,,3PCL,,,,,,,
,,,CYN:M:575,invalid,,,,,[C-]#N,
,,,CYN:N:575,invalid,,,,,[C-]#N,
,,,CYN:O:575,invalid,,,,,[C-]#N,
,,,CYN:P:575,invalid,,,,,[C-]#N,
,,,CYN:Q:575,invalid,,,,,[C-]#N,
,,,CYN:R:575,invalid,,,,,[C-]#N,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,INO:M:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:N:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:O:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:P:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:Q:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,,INO:R:550,valid,,,,,c1c[n+](c(cc1C(=O)O)O)[O-],
,,3PCK,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,NNO:M:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:N:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:O:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:P:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:Q:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:R:550,valid,Kd,=,0.2,uM,c1cc([n+](cc1C(=O)O)[O-])O,
,,1YKP,,,,,,,
,,,DHB:A:550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:D:1550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:F:2550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:H:3550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:J:4550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:L:5550,valid,Kd,=,1100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,,FE:D:1600,Part of Protein,,,,,[Fe+3],
,,,FE:F:2600,Part of Protein,,,,,[Fe+3],
,,,FE:H:3600,Part of Protein,,,,,[Fe+3],
,,,FE:J:4600,Part of Protein,,,,,[Fe+3],
,,,FE:L:5600,Part of Protein,,,,,[Fe+3],
,,3PCH,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,CHB:M:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:M:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:N:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:N:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:O:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:O:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:P:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:P:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:Q:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:Q:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:R:550,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,CHB:R:551,valid,Ki,=,4,uM,c1cc(c(cc1C(=O)O)Cl)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,3PCM,,,,,,,
,,,CYN:M:575,invalid,,,,,[C-]#N,
,,,CYN:N:575,invalid,,,,,[C-]#N,
,,,CYN:O:575,invalid,,,,,[C-]#N,
,,,CYN:P:575,invalid,,,,,[C-]#N,
,,,CYN:Q:575,invalid,,,,,[C-]#N,
,,,CYN:R:575,invalid,,,,,[C-]#N,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,NNO:M:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:N:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:O:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:P:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:Q:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,,NNO:R:550,valid,,,,,c1cc([n+](cc1C(=O)O)[O-])O,
,,3PCE,,,,,,,
,,,3HP:M:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,3HP:N:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,3HP:O:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,3HP:P:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,3HP:Q:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,3HP:R:550,valid,Ki,=,10,mM,c1cc(cc(c1)O)CC(=O)O,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,3PCA,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,DHB:M:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:M:551,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:N:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:N:551,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:N:602,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:O:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:P:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:P:551,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:Q:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:Q:551,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:R:550,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:R:551,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,3PCF,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,FHB:M:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:M:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:N:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:N:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:O:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:O:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:P:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:P:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:Q:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:Q:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:R:550,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,,FHB:R:551,valid,Ki,=,0.9,uM,c1cc(c(cc1C(=O)O)F)O,
,,3PCB,,,,,,,
,,,3HB:M:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:M:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:N:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:N:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:O:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:O:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:P:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:P:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:Q:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:Q:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:R:550,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,3HB:R:551,valid,Ki,=,4,mM,c1cc(cc(c1)O)C(=O)O,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,3PCG,,,,,,,
,,,4HP:M:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,4HP:N:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,4HP:O:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,4HP:P:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,4HP:Q:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,4HP:R:550,valid,Ki,=,5,mM,c1cc(ccc1CC(=O)O)O,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,3PCC,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,PHB:M:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:M:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:N:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:N:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:O:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:O:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:P:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:P:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:Q:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:Q:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:R:550,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:R:551,valid,Ki,=,240,uM,c1cc(ccc1C(=O)O)O,
,,3PCI,,,,,,,
,,,BME:M:601,invalid,,,,,C(CS)O,
,,,BME:N:601,invalid,,,,,C(CS)O,
,,,BME:O:601,invalid,,,,,C(CS)O,
,,,BME:P:601,invalid,,,,,C(CS)O,
,,,BME:Q:601,invalid,,,,,C(CS)O,
,,,BME:R:601,invalid,,,,,C(CS)O,
,,,FE:M:600,Part of Protein,,,,,[Fe+3],
,,,FE:N:600,Part of Protein,,,,,[Fe+3],
,,,FE:O:600,Part of Protein,,,,,[Fe+3],
,,,FE:P:600,Part of Protein,,,,,[Fe+3],
,,,FE:Q:600,Part of Protein,,,,,[Fe+3],
,,,FE:R:600,Part of Protein,,,,,[Fe+3],
,,,IHB:M:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:M:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:N:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:N:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:O:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:O:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:P:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:P:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:Q:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:Q:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:R:550,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,,,IHB:R:551,valid,,,,,c1cc(c(cc1C(=O)O)I)O,
,Family. Representative Entry is ,1EOC,,,,,,,
,,,4NC:B:999,valid,Ki,=,0.9,uM,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,2BUR,,,,,,,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,,PHB:B:999,valid,,,,,c1cc(ccc1C(=O)O)O,
,,2BUQ,,,,,,,
,,,CAQ:B:1542,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:B:1543,valid,,,,,c1ccc(c(c1)O)O,
,,,FE:B:1541,Part of Protein,,,,,[Fe+3],
,,1EOB,,,,,,,
,,,DHB:B:999,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:600,Part of Protein,,,,,[Fe+3],
,,2BUV,,,,,,,
,,,DHB:B:1542,valid,Kd,=,100,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FE:B:1541,Part of Protein,,,,,[Fe+3],
4.2.2.2,,,,,,,,,
,Family. Representative Entry is ,4YZ0,,,,,,,
,,,ADA ADA ADA:B:210,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,X0X ADA ADA:D:1,valid,,,,,,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,MRD:A:211,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:209,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:208,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:206,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:210,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,GTR ADA ADA:A:215,valid,,,,,,
,,,GTR ADA ADA:B:213,valid,,,,,,
,,,MPD:A:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:205,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,IMD:A:205,invalid,,,,,c1c[nH+]c[nH]1,
,,,X1X ADA ADA:C:1,valid,,,,,,
,,4YZX,,,,,,,
,,,IMD:B:206,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:205,invalid,,,,,c1c[nH+]c[nH]1,
,,,GTR ADA ADA:B:212,valid,,,,,,
,,,MRD:A:209,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:208,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,MPD:A:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ADA ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,ADA ADA ADA:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,4YZQ,,,,,,,
,,,GTR ADA ADA:B:210,valid,,,,,,
,,,GTR ADA ADA:A:211,valid,,,,,,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,ADA ADA ADA:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,ADA ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,MPD:A:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:205,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:205,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4YZA,,,,,,,
,,,GTR ADA ADA:B:210,valid,,,,,,
,,,GTR ADA ADA:A:216,valid,,,,,,
,,,ADA ADA ADA:A:213,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,ADA ADA ADA:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,invalid,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,MRD:A:208,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:A:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,IMD:A:209,invalid,,,,,c1c[nH+]c[nH]1,
,,,X1X ADA ADA:C:1,valid,,,,,,
,,4Z06,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,ADA:B:205,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,ADA:A:205,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,MPD:A:209,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:208,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:206,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,4Z03,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GTR ADA ADA:D:1,valid,,,,,,
,,,GTR ADA ADA:A:209,valid,,,,,,
,,,MPD:A:205,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:205,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ADA ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,MRD:B:207,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2EWE,,,,,,,
,,,ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:704,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3VMW,,,,,,,
,,,ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5AMV,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,2O0V,,,,,,,
,,,ADA ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,2O1D,,,,,,,
,,,ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,3KRG,,,,,,,
,,,ADA ADA ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,2NZM,,,,,,,
,,,ADA ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,2O04,,,,,,,
,,,ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,2O17,,,,,,,
,,,ADA ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6OJL,,,,,,,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,GTR ADA ADA ADA ADA:B:1,valid,,,,,,
,,6OJK,,,,,,,
,,,ADA ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,2V8K,,,,,,,
,,,ADA ADA GTR:B:1,valid,,,,,,
,Family. Representative Entry is ,1GXO,,,,,,,
,,,ADA ADA ADA:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,,CA:A:1652,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3B8Y,,,,,,,
,,,ADA ADA ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,ADA ADA ADA ADA:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,ZN:B:711,Part of Protein,,,,,[Zn+2],
2.5.1.41,,,,,,,,,
,Family. Representative Entry is ,6JO3,,,,,,,
,,,1GP:A:501,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
1.1.1.103,,,,,,,,,
,Family. Representative Entry is ,3GFB,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:B:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3A4V,,,,,,,
,,,MPD:A:5276,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:5277,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYR:A:6450,valid,Ki,=,23.2,mM,CC(=O)C(=O)O,
,,,PYR:B:6451,valid,Ki,=,23.2,mM,CC(=O)C(=O)O,
,,3A1N,,,,,,,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3A9W,,,,,,,
,,,MPD:B:5277,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:5276,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3AJR,,,,,,,
,,,MPD:A:5276,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:5277,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,VAH:A:318,valid,,,,,CC[C@H]([C@@H](C(=O)O)N)O,
,,,VAH:B:318,valid,,,,,CC[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,7CGV,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5K4W,,,,,,,
,,,THR:C:1402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:A:1402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,NAI:C:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GOL:C:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1404,Part of Protein,,,,,[Na+],
,,,NA:C:1405,Part of Protein,,,,,[Na+],
,,5K4U,,,,,,,
,,,GOL:A:6403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6402,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:6405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:6406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:6407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:6404,invalid,,,,,CC(=O)[O-],
,,,ACT:C:6405,invalid,,,,,CC(=O)[O-],
,,,NAD:C:6401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:6401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5K4Q,,,,,,,
,,,NAD:B:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:D:4403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:6403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:D:4402,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:5402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3402,invalid,,,,,C(C(CO)O)O,
,,5K4V,,,,,,,
,,,ACT:A:1406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1407,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1403,invalid,,,,,CC(=O)[O-],
,,,GOL:C:1407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1410,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1409,invalid,,,,,C(C(CO)O)O,
,,,NAD:C:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:1409,Part of Protein,,,,,[Na+],
,,,NA:A:1411,Part of Protein,,,,,[Na+],
,,5K4Y,,,,,,,
,,,NAD:B:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:E:5402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:4402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2402,invalid,,,,,CC(=O)[O-],
,,,ACT:C:3402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1402,invalid,,,,,CC(=O)[O-],
,,,ACT:F:6403,invalid,,,,,CC(=O)[O-],
,,,CL:E:5403,invalid,,,,,[Cl-],
,,,CL:F:6404,invalid,,,,,[Cl-],
,,,CL:D:4403,invalid,,,,,[Cl-],
,,,CL:D:4404,invalid,,,,,[Cl-],
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:B:2403,invalid,,,,,[Cl-],
,,,CL:C:3403,invalid,,,,,[Cl-],
,,,NA:F:6405,invalid,,,,,[Na+],
,,,NA:E:5404,invalid,,,,,[Na+],
,,,NA:B:2404,invalid,,,,,[Na+],
,,,NA:D:4405,invalid,,,,,[Na+],
,,,NA:A:1404,invalid,,,,,[Na+],
,,,NA:C:3404,invalid,,,,,[Na+],
,,,NA:D:4406,Part of Protein,,,,,[Na+],
,,,GOL:F:6402,invalid,,,,,C(C(CO)O)O,
,,5K50,,,,,,,
,,,GOL:G:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,NAD:C:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:J:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:I:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ACT:J:1404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1404,invalid,,,,,CC(=O)[O-],
,,,ALO:G:1403,valid,,,,,C[C@@H]([C@@H](C(=O)O)N)O,
,,,ALO:C:1402,valid,,,,,C[C@@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2DFV,,,,,,,
,,,NAD:A:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2YY7,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,MES:A:4001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:4002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PE8:A:2001,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:2002,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:2003,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:2004,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
3.5.1.54,,,,,,,,,
,Family. Representative Entry is ,4ISS,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,TAR:A:701,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,4GYS,,,,,,,
,,,MLI:B:1000,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1001,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1001,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1000,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,4CP8,,,,,,,
,,,MLI:C:1466,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1465,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1466,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1465,valid,,,,,C(C(=O)[O-])C(=O)[O-],
1.1.1.8,,,,,,,,,
,Family. Representative Entry is ,1N1G,,,,,,,
,,,BCP:A:401,valid,ic50,=,5,mM,c1[nH]c2c(n1)nc(nc2Cl)Br,
,,,BCP:A:402,valid,ic50,=,5,mM,c1[nH]c2c(n1)nc(nc2Cl)Br,
,,,BCP:A:403,valid,ic50,=,5,mM,c1[nH]c2c(n1)nc(nc2Cl)Br,
,,,PLM:A:901,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1JDJ,,,,,,,
,,,CFP:A:367,valid,,,,,c1[nH]c2c(n1)c(nc(n2)F)Cl,
,,,MYS:A:500,invalid,,,,,CCCCCCCCCCCCCCC,
,,1M66,,,,,,,
,,,BCP:A:401,valid,,,,,c1[nH]c2c(n1)nc(nc2Cl)Br,
,,,PLM:A:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1M67,,,,,,,
,,,BOA:A:402,valid,,,,,c1[nH]c2c(n1)nc(nc2O)Br,
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1N1E,,,,,,,
,,,NDE:A:400,valid,,,,,c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,NDE:B:401,valid,,,,,c1c[n+](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,Family. Representative Entry is ,1Z82,,,,,,,
,,,G3H:A:600,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3P:B:600,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,MPD:A:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:601,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:601,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:602,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:603,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:604,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6E8Z,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,NAD:A:401,valid,Kd,=,7,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,Kd,=,7,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:A:406,Part of Protein,,,,,[K+],
,,6PYP,,,,,,,
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,3SY:A:403,valid,,,,,C(C(CO)(CO)CO)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6E90,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,13P:A:402,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:402,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MPD:D:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1WPQ,,,,,,,
,,,13P:A:2002,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:2001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6IUY,,,,,,,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,13P:B:702,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:A:702,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
3.2.1.45,,,,,,,,,
,Family. Representative Entry is ,2NSX,,,,,,,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,IFM:B:506,valid,ic50,=,59,nM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:D:503,valid,ic50,=,59,nM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,NAG:B:498,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:498,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:498,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:498,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WCG,,,,,,,
,,,CL:A:1510,invalid,,,,,[Cl-],
,,,CL:B:1509,invalid,,,,,[Cl-],
,,,MT5:A:1509,valid,Ki,=,0.42,uM,CCCCCCCC[NH+]=C1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,MT5:B:1508,valid,Ki,=,0.42,uM,CCCCCCCC[NH+]=C1/NC[C@H]2N1[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,FUC:A:1502,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:1501,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,2V3E,,,,,,,
,,,NAG:B:1502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA:C:1,invalid,,,,,,
,,,NAG FUC NAG BMA:D:1,invalid,,,,,,
,,,NND:A:1502,valid,Ki,=,0.3,uM,CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,,NND:B:1503,valid,Ki,=,0.3,uM,CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,,PO4:A:1503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3GXF,,,,,,,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:514,invalid,,,,,C(C(CO)O)O,
,,,IFM:B:517,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:D:512,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,NAG:A:516,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:516,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:513,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:498,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:499,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:510,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:513,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:514,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:498,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:499,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:510,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:513,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:514,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:515,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:498,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:499,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:510,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:512,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:498,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:499,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:510,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XWE,,,,,,,
,,,AMF:A:607,valid,Ka,=,2113,M^-1,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AMF:B:607,valid,Ka,=,2113,M^-1,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,K:A:606,Part of Protein,,,,,[K+],
,,,K:B:606,Part of Protein,,,,,[K+],
,,,NAG FUC NAG BMA:C:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA:D:1,Part of Protein,,,,,,
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2V3D,,,,,,,
,,,NAG:B:1503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA:D:1,invalid,,,,,,
,,,NAG FUC NAG BMA:C:1,invalid,,,,,,
,,,NBV:A:1503,valid,Ki,=,116,uM,CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,,NBV:B:1504,valid,Ki,=,116,uM,CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RIK,,,,,,,
,,,3RI:B:501,valid,ic50,=,3.4,mM,C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O,
,,,3RI:D:501,valid,ic50,=,3.4,mM,C1[C@@H]([C@H]([C@@H]([C@H](CN1CCO)O)O)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RIL,,,,,,,
,,,3RK:A:513,valid,ic50,=,146,uM,C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O,
,,,3RK:B:509,valid,ic50,=,146,uM,C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O,
,,,3RK:C:513,valid,ic50,=,146,uM,C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O,
,,,3RK:D:509,valid,ic50,=,146,uM,C1[C@@H]([C@H]([C@@H]([C@H](CN1)O)O)O)O,
,,,NAG:A:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MOZ,,,,,,,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,NA:A:515,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:515,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:511,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:B:512,Part of Protein,,,,,[Na+],
,,,NA:B:517,Part of Protein,,,,,[Na+],
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:516,Part of Protein,,,,,[Na+],
,,,NA:A:512,Part of Protein,,,,,[Na+],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:510,Part of Protein,,,,,[Na+],
,,,NA:B:511,invalid,,,,,[Na+],
,,,NA:B:506,invalid,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:510,Part of Protein,,,,,[Na+],
,,,NA:B:518,invalid,,,,,[Na+],
,,,NA:B:514,Part of Protein,,,,,[Na+],
,,,NA:B:509,Part of Protein,,,,,[Na+],
,,,NA:A:508,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:516,Part of Protein,,,,,[Na+],
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:A:514,Part of Protein,,,,,[Na+],
,,,NA:A:513,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NA:B:513,Part of Protein,,,,,[Na+],
,,,PO4:A:518,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:520,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:519,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:520,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:522,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:521,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:B:519,invalid,,,,,C(C(CO)O)O,
,,,JXA:A:517,valid,ic50,=,1.3,uM,c1c(cc(cc1Cl)Cl)c2cn(nn2)C[C@@H]3[C@@H]([C@@H](CN3)O)O,
1.7.6.1,,,,,,,,,
,Family. Representative Entry is ,4XMF,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HSM:A:202,valid,,,,,c1c(nc[nH]1)CCN,
,,4XMH,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GLY GLY GLY:B:1,valid,,,,,O=C(NCC(=O)NCC=O)C[NH3+],
4.1.1.15,,,,,,,,,
,Family. Representative Entry is ,2OKK,,,,,,,
,,,ABU:A:585,valid,,,,,C(CC(=O)O)CN,
,,,ABU:A:586,valid,,,,,C(CC(=O)O)CN,
,,,GOL:A:587,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1PMO,,,,,,,
,,,PLR:A:1500,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:B:1501,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:C:1502,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:D:1503,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:E:1504,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLR:F:1505,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,TRS:A:3236,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:3241,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:3251,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:3237,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:3242,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:3243,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:3250,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:3252,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:3238,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:3244,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:3245,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:3239,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:3246,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:3247,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:3253,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:3240,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:3248,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:3249,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3VP6,,,,,,,
,,,HLD:B:1001,valid,,,,,C1=C(OC(=CC1=O)C(=O)O)C(=O)O,
,,,HLD:A:1001,valid,,,,,C1=C(OC(=CC1=O)C(=O)O)C(=O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,2OKJ,,,,,,,
,,,ABU:A:1001,valid,,,,,C(CC(=O)O)CN,
,,,ABU PLZ:B:1002,valid,,,,,,
4.3.1.-,,,,,,,,,
,Family. Representative Entry is ,2O7B,,,,,,,
,,,HC4:A:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:B:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:C:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:D:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:E:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:F:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:G:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:H:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,2O78,,,,,,,
,,,TCA:A:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:B:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:C:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:D:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:E:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:F:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:G:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:H:701,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,2O7D,,,,,,,
,,,DHC:A:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:B:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:C:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:D:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:E:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:F:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:G:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:H:701,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,2O7F,,,,,,,
,,,HC4:A:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:B:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:C:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:D:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:E:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:F:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:G:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:H:701,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
5.1.-.-,,,,,,,,,
,Family. Representative Entry is ,3DXW,,,,,,,
,,,ICC:A:451,valid,,,,,C1CCC(=O)NCC1,
,,,ICC:B:451,valid,,,,,C1CCC(=O)NCC1,
,,,PLP:A:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2ZUK,,,,,,,
,,,ICC:A:437,valid,,,,,C1CCC(=O)NCC1,
,,,ICC:B:437,valid,,,,,C1CCC(=O)NCC1,
,,,PLP:A:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
1.2.1.43,,,,,,,,,
,Family. Representative Entry is ,2GSD,,,,,,,
,,,AZI:A:403,invalid,,,,,[N-]=[N+]=[N-],
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.2.1.94,,,,,,,,,
,Family. Representative Entry is ,3STD,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,MQ0:A:503,valid,Ki,=,7.7,pM,c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4,
,,,MQ0:B:505,valid,Ki,=,7.7,pM,c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4,
,,,MQ0:C:504,valid,Ki,=,7.7,pM,c1ccc(cc1)C(CCNc2c3ccccc3nnc2C#N)c4ccccc4,
,,2STD,,,,,,,
,,,CRP:A:175,valid,Kd,=,0.14,nM,CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl,
,,,SO4:A:180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6STD,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,MS2:A:601,valid,Ki,=,2.3,nM,C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C,
,,,MS2:B:600,valid,Ki,=,2.3,nM,C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C,
,,,MS2:C:602,valid,Ki,=,2.3,nM,C[C@@H]1[C@](C1(Cl)Cl)(C(=O)N[C@H](C)c2ccc(cc2)Br)[S@@](=O)C,
,,4STD,,,,,,,
,,,BFS:A:173,valid,Ki,=,47,pM,C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F,
,,,BFS:B:174,valid,Ki,=,47,pM,C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F,
,,,BFS:C:175,valid,Ki,=,47,pM,C[C@H](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F,
,,5STD,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,UNN:A:175,valid,Ki,=,32,pM,C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F,
,,,UNN:B:173,valid,Ki,=,32,pM,C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F,
,,,UNN:C:174,valid,Ki,=,32,pM,C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F,
,,7STD,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CRP:A:600,valid,Ki,=,19,pM,CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl,
,,,CRP:B:601,valid,Ki,=,19,pM,CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl,
,,,CRP:C:602,valid,Ki,=,19,pM,CC[C@]1([C@H](C1(Cl)Cl)C)C(=O)N[C@H](C)c2ccc(cc2)Cl,
2.7.1.36,,,,,,,,,
,Family. Representative Entry is ,2R42,,,,,,,
,,,FPS:A:400,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,1KVK,,,,,,,
,,,ATP:A:535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:536,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6MDE,,,,,,,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MEV:A:401,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,MEV:B:501,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,K:A:402,invalid,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,6MDF,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,PMV:A:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:B:501,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,Family. Representative Entry is ,2HFU,,,,,,,
,,,MEV:A:400,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,Family. Representative Entry is ,2OI2,,,,,,,
,,,DP6:A:300,valid,Kd,=,500,nM,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
2.1.3.2,,,,,,,,,
,Family. Representative Entry is ,1D09,,,,,,,
,,,PAL:A:1311,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:1312,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:1313,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1314,Part of Protein,,,,,[Zn+2],
,,4KGX,,,,,,,
,,,CTP:D:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1R0C,,,,,,,
,,,NCD:A:2001,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,NCD:G:2002,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:3002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1002,Part of Protein,,,,,[Zn+2],
,,4F04,,,,,,,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,UTP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:D:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1RAG,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,2FZC,,,,,,,
,,,CTP:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:902,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,EOP:A:811,valid,Ki,=,1900,uM,C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O,
,,,EOP:C:812,valid,Ki,=,1900,uM,C(CNC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1RAB,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1RAF,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,2AIR,,,,,,,
,,,AL0:A:805,valid,,,,,C([C@@H](C(=O)O)N)N(N=O)O,
,,,AL0:G:804,valid,,,,,C([C@@H](C(=O)O)N)N(N=O)O,
,,,CP:A:802,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:G:803,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
,,,ZN:H:801,Part of Protein,,,,,[Zn+2],
,,4KH1,,,,,,,
,,,CTP:D:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,UTP:D:203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,MG:D:204,invalid,,,,,[Mg+2],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,,PO4:B:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2FZK,,,,,,,
,,,CTP:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:902,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,EOZ:A:611,valid,Ki,=,310,uM,c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,EOZ:C:612,valid,Ki,=,310,uM,c1c(cc(cc1NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1Q95,,,,,,,
,,,PAL:A:1001,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:B:1002,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:1003,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:D:1004,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:E:1005,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:F:1006,valid,Ki,=,27,nM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:G:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:H:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:I:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:J:2004,Part of Protein,,,,,[Zn+2],
,,,ZN:K:2005,Part of Protein,,,,,[Zn+2],
,,,ZN:L:2006,Part of Protein,,,,,[Zn+2],
,,1RAE,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1RAA,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1ZA1,,,,,,,
,,,CTP:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:902,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,4FYY,,,,,,,
,,,UTP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:D:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:203,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:203,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,8ATC,,,,,,,
,,,PAL:A:311,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:311,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,4KGZ,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,UTP:D:203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:D:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,MG:B:204,invalid,,,,,[Mg+2],
,,4FYV,,,,,,,
,,,DCP:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,4FYX,,,,,,,
,,,DCP MG:B:203,valid,,,,,P(=O)(OP(=O)(OCC1C(O)CC(N2C(=O)N=C(N)C=C2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,DCP MG:D:203,valid,,,,,P(=O)(OP(=O)(OCC1C(O)CC(N2C(=O)N=C(N)C=C2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,UTP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:D:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1RAC,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1F1B,,,,,,,
,,,PAL:A:1311,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:1312,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:313,Part of Protein,,,,,[Zn+2],
,,,ZN:D:314,Part of Protein,,,,,[Zn+2],
,,2FZG,,,,,,,
,,,CTP:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:902,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,EOB:A:611,valid,Ki,=,420,uM,c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O,
,,,EOB:C:612,valid,Ki,=,420,uM,c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1TUG,,,,,,,
,,,CTP:B:1156,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MLI:A:1312,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1311,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PCT:A:1314,valid,,,,,C(C(=O)N)P(=O)(O)O,
,,,PCT:C:1313,valid,,,,,C(C(=O)N)P(=O)(O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:155,Part of Protein,,,,,[Zn+2],
,,4FYW,,,,,,,
,,,CTP:B:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1RAI,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,4KGV,,,,,,,
,,,ATP:D:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,2H3E,,,,,,,
,,,6PR:A:331,valid,Kd,=,2,uM,C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O,
,,,6PR:C:332,valid,Kd,=,2,uM,C([C@@H](C(=O)N)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:159,Part of Protein,,,,,[Zn+2],
,,,ZN:D:159,Part of Protein,,,,,[Zn+2],
,,4KH0,,,,,,,
,,,ATP:D:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PAL:A:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:401,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1RAD,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1ZA2,,,,,,,
,,,CP:A:312,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:A:313,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:C:311,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:C:312,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CTP:B:155,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:155,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:A:311,invalid,,,,,[Na+],
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,,1RAH,,,,,,,
,,,CTP:B:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:999,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:154,Part of Protein,,,,,[Zn+2],
,,,ZN:D:154,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6FBA,,,,,,,
,,,DMS:C:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:407,invalid,,,,,[Na+],
,,,PEG:C:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,D48:C:401,valid,Kd,=,19.9,uM,c1ccc2cc(c(cc2c1)O)O,
,,,D48:B:402,valid,Kd,=,19.9,uM,c1ccc2cc(c(cc2c1)O)O,
,,,D48:A:402,valid,Kd,=,19.9,uM,c1ccc2cc(c(cc2c1)O)O,
,,,MLI:C:404,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:404,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:405,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1ML4,,,,,,,
,,,PAL:A:385,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,Family. Representative Entry is ,3R7F,,,,,,,
,,,CP:A:802,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:B:308,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:B:802,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:C:802,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:309,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:310,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6HL7,,,,,,,
,,,CP:C:401,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:A:401,valid,,,,,C(=O)(N)OP(=O)(O)O,
,Family. Representative Entry is ,1EKX,,,,,,,
,,,CA:B:311,Part of Protein,,,,,[Ca+2],
,,,CA:C:311,Part of Protein,,,,,[Ca+2],
,,,PAL:A:1001,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:B:1002,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:1003,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
1.11.1.10,,,,,,,,,
,Family. Representative Entry is ,1A8S,,,,,,,
,,,PPI:A:278,valid,,,,,CCC(=O)O,
,,,SO4:A:274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1A8U,,,,,,,
,,,BEZ:A:295,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:294,valid,,,,,c1ccc(cc1)C(=O)O,
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2CIX,,,,,,,
,,,BR:A:1321,invalid,,,,,[Br-],
,,,BR:A:1322,invalid,,,,,[Br-],
,,,BR:A:1323,invalid,,,,,[Br-],
,,,CEJ:A:1320,valid,Kd,=,33,mM,C1CC(=O)CC1=O,
,,,EDO:A:1319,invalid,,,,,C(CO)O,
,,,HEM:A:1300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MAN:A:1307,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1308,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1309,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1310,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1311,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1312,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1313,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1314,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1315,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1318,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:D:1,Part of Protein,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:1299,Part of Protein,,,,,[Mn+2],
,,,NAG:A:1301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
6.1.1.22,,,,,,,,,
,Family. Representative Entry is ,1X54,,,,,,,
,,,4AD:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N)[NH3+])O)O)N,
,,,MG:A:2000,Part of Protein,,,,,[Mg+2],
,,,MPD:A:2002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1X55,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,NSS:A:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
3.5.99.4,,,,,,,,,
,Family. Representative Entry is ,4CQB,,,,,,,
,,,ZN:B:1404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1404,Part of Protein,,,,,[Zn+2],
,,,CL:B:1405,invalid,,,,,[Cl-],
,,,CL:A:1405,invalid,,,,,[Cl-],
,,,MLI:A:1408,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1407,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1408,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,DMS:A:1406,invalid,,,,,CS(=O)C,
,,,DMS:B:1407,invalid,,,,,CS(=O)C,
,,,DMS:B:1406,invalid,,,,,CS(=O)C,
,,4CQD,,,,,,,
,,,ZN:B:1404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1404,Part of Protein,,,,,[Zn+2],
,,,CL:B:1406,invalid,,,,,[Cl-],
,,,CL:A:1406,invalid,,,,,[Cl-],
,,,MES:A:1405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MLI:B:1407,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1407,valid,,,,,C(C(=O)[O-])C(=O)[O-],
1.14.12.22,,,,,,,,,
,Family. Representative Entry is ,3VMG,,,,,,,
,,,9CA:B:2001,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:2002,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,4NBA,,,,,,,
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,9CA:B:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,4NBD,,,,,,,
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,9CA:B:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:A:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,2DE7,,,,,,,
,,,9CA:B:2001,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:2002,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,4NBE,,,,,,,
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,9FL:A:503,valid,,,,,c1ccc-2c(c1)Cc3c2cccc3,
,,,9FL:C:503,valid,,,,,c1ccc-2c(c1)Cc3c2cccc3,
,,4NBH,,,,,,,
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,9CA:B:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:503,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,4NBB,,,,,,,
,,,9CA:C:504,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:B:504,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,OXY:B:503,invalid,,,,,O=O,
,,,OXY:A:503,invalid,,,,,O=O,
,,,OXY:C:503,invalid,,,,,O=O,
,,,FES:B:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:502,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,3VMI,,,,,,,
,,,9CA:B:2001,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,9CA:C:2002,valid,,,,,c1ccc2c(c1)c3ccccc3[nH]2,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:C:501,Part of Protein,,,,,[Fe+2],
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,OXY:A:601,invalid,,,,,O=O,
,,,OXY:B:602,invalid,,,,,O=O,
,,,OXY:C:603,invalid,,,,,O=O,
3.2.2.-,,,,,,,,,
,Family. Representative Entry is ,3F10,,,,,,,
,,,8HG:A:293,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O,
,,,EDO:A:294,invalid,,,,,C(CO)O,
,,,EDO:A:295,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5ZBK,,,,,,,
,,,AMP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4KXL,,,,,,,
,,,6C6:D:201,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4,
,,,6C6:C:201,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4,
,,,6C6:B:201,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4,
,,,6C6:A:201,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC4CCCC4,
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4P5D,,,,,,,
,,,N6P:A:201,valid,Ki,=,1.5,uM,c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O,
,,,N6P:C:201,valid,Ki,=,1.5,uM,c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KXM,,,,,,,
,,,6IA:C:201,valid,Kd,=,2.6,uM,CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,6IA:B:201,valid,Kd,=,2.6,uM,CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,6IA:D:201,valid,Kd,=,2.6,uM,CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,6IA:A:201,valid,Kd,=,2.6,uM,CC(C)CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,4KXN,,,,,,,
,,,6K6:B:201,valid,Kd,=,0.8,uM,c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,,6K6:D:201,valid,Kd,=,0.8,uM,c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,,6K6:A:201,valid,Kd,=,0.8,uM,c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,,6K6:C:201,valid,Kd,=,0.8,uM,c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5ZI9,,,,,,,
,,,EDO:C:500,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:B:500,invalid,,,,,C(CO)O,
,,,EDO:D:500,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,FLC:D:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,4P5E,,,,,,,
,,,N6P:A:201,valid,Ki,=,2.8,uM,c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O,
,,,N6P:B:201,valid,Ki,=,2.8,uM,c1ccc2cc(ccc2c1)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2D3Y,,,,,,,
,,,ACT:A:222,invalid,,,,,CC(=O)[O-],
,,,ACT:A:223,invalid,,,,,CC(=O)[O-],
,,,DU:A:221,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,SF4:A:220,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5ZBL,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1UI0,,,,,,,
,,,SF4:A:210,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:A:211,valid,Ki,=,88,nM,C1=CNC(=O)NC1=O,
,,,URA:A:212,valid,Ki,=,88,nM,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,3FCI,,,,,,,
,,,3FI:A:1,valid,ic50,=,1.3,uM,c1cc(cc(c1)C(=O)O)C=NOCCCNCC2=CC(=O)NC(=O)N2,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,SCN:A:2,invalid,,,,,C(#N)[S-],
,,,SCN:A:3,invalid,,,,,C(#N)[S-],
,,3FCL,,,,,,,
,,,3FL:A:1,valid,ic50,=,315,uM,c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2,
,,,3FL:B:2,valid,ic50,=,315,uM,c1cc(cc(c1)C(=O)O)CNCCCCNCC2=CC(=O)NC(=O)N2,
,,,SCN:A:2,invalid,,,,,C(#N)[S-],
,,,SCN:A:5,invalid,,,,,C(#N)[S-],
,,,SCN:A:6,invalid,,,,,C(#N)[S-],
,,,SCN:A:7,invalid,,,,,C(#N)[S-],
,,,SCN:B:1,invalid,,,,,C(#N)[S-],
,,,SCN:B:3,invalid,,,,,C(#N)[S-],
,,,SCN:B:4,invalid,,,,,C(#N)[S-],
,,,SCN:B:8,invalid,,,,,C(#N)[S-],
,,3FCF,,,,,,,
,,,FCF:A:1,valid,ic50,=,40,uM,c1cc(cc(c1)C(=O)O)C=NOCCO/N=C/C2=CC(=O)NC(=O)N2,
,,,SCN:A:2,invalid,,,,,C(#N)[S-],
,,,SCN:A:305,invalid,,,,,C(#N)[S-],
,,2HXM,,,,,,,
,,,302:A:401,valid,,,,,c1cc(ccc1C=NOCCO/N=C/C2=CC(=O)NC(=O)N2)C(=O)O,
1.1.1.30,,,,,,,,,
,Family. Representative Entry is ,1X1T,,,,,,,
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZTL,,,,,,,
,,,3HL:A:301,valid,,,,,C[C@@H](CC(=O)O)O,
,,,3HL:B:301,valid,,,,,C[C@@H](CC(=O)O)O,
,,,3HL:C:301,valid,,,,,C[C@@H](CC(=O)O)O,
,,,3HL:D:301,valid,,,,,C[C@@H](CC(=O)O)O,
,,,GOL:D:902,invalid,,,,,C(C(CO)O)O,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZTU,,,,,,,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZTM,,,,,,,
,,,3HL:A:301,valid,,,,,C[C@@H](CC(=O)O)O,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ZTV,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2Q2V,,,,,,,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2Q2Q,,,,,,,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5B4T,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,3HR:A:302,valid,,,,,C[C@H](CC(=O)O)O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3VDQ,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:301,invalid,,,,,CC(=O)[O-],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,NAD:A:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5B4V,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,DXX:A:302,valid,,,,,CC(C(=O)O)C(=O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,5B4U,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MLA:A:302,valid,,,,,C(C(=O)O)C(=O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
3.1.4.14,,,,,,,,,
,Family. Representative Entry is ,1T5B,,,,,,,
,,,FMN:A:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
4.1.3.2,,,,,,,,,
,Family. Representative Entry is ,1D8C,,,,,,,
,,,GLV:A:2000,valid,,,,,C(=O)C(=O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,SO4:A:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SOR:A:4000,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
2.4.1.57,,,,,,,,,
,Family. Representative Entry is ,6N1X,,,,,,,
,,,NDG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6D9T,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3OKP,,,,,,,
,,,GDD:A:601,valid,Kd,=,19,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,3OKC,,,,,,,
,,,GDP:A:601,valid,Kd,=,36.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3OKA,,,,,,,
,,,GDD:A:701,valid,Kd,=,19,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:701,valid,Kd,=,19,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:702,invalid,,,,,[O-]S(=O)(=O)[O-],
4.2.1.17,,,,,,,,,
,Family. Representative Entry is ,4B3J,,,,,,,
,,,SO4:D:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1723,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1726,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1726,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1723,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1724,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1725,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1728,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1724,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1727,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1725,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:D:1410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1413,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1728,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1729,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1730,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1729,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1727,invalid,,,,,C(C(CO)O)O,
,,,COA:B:1730,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1731,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1409,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1412,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1DUB,,,,,,,
,,,CAA:A:300,valid,Ki,=,1.6,uM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:300,valid,Ki,=,1.6,uM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:300,valid,Ki,=,1.6,uM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:E:300,valid,Ki,=,1.6,uM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:F:300,valid,Ki,=,1.6,uM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,1EY3,,,,,,,
,,,DAK:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,,DAK:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,,DAK:C:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,,DAK:D:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,,DAK:E:504,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,,DAK:F:505,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)O,
,,1MJ3,,,,,,,
,,,HXC:A:951,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:B:952,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:C:953,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:E:954,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:F:955,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2DUB,,,,,,,
,,,CO8:A:300,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:B:300,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:E:300,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:F:300,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1WDK,,,,,,,
,,,ACO:C:3001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:4001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,N8E:A:1002,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,N8E:A:1003,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,N8E:B:2002,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,N8E:B:2003,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:716,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5FUS,,,,,,,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1282,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1280,invalid,,,,,C(C(CO)O)O,
,,,PG0:A:1283,invalid,,,,,COCCOCCO,
,,,PG0:A:1284,invalid,,,,,COCCOCCO,
,,,PG0:C:1281,invalid,,,,,COCCOCCO,
,,,NA:C:1282,Part of Protein,,,,,[Na+],
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DAO:A:1285,valid,ic50,=,21.1,uM,CCCCCCCCCCCC(=O)O,
,,,DAO:B:1282,valid,ic50,=,21.1,uM,CCCCCCCCCCCC(=O)O,
,,,DAO:C:1283,valid,ic50,=,21.1,uM,CCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5DUF,,,,,,,
,,,G7A:A:301,valid,ic50,=,1.8,uM,CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)O)N2)C(F)(F)F,
,,5DU8,,,,,,,
,,,5FK:B:301,valid,Kd,=,1.9,uM,CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F,
,,,5FK:A:301,valid,Kd,=,1.9,uM,CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F,
,,,5FK:C:301,valid,Kd,=,1.9,uM,CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cn4)F)N2)C(F)(F)F,
,,5DU4,,,,,,,
,,,5FF:A:301,valid,Kd,=,5.6,uM,CCc1ccc(cc1)[C@H]2C[C@H](n3c(c(cn3)C(=O)NCc4ccc(cc4)OC)N2)C(F)(F)F,
,,5DTW,,,,,,,
,,,5F9:D:301,valid,Kd,=,3.5,uM,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,5F9:A:301,valid,Kd,=,3.5,uM,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.3.1.82,,,,,,,,,
,Family. Representative Entry is ,5L4S,,,,,,,
,,,6KX:A:401,valid,,,,,CC1=C(C(CCC1)(C)C)C=O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LCX,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5LDG,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,IT9:A:401,valid,,,,,CC1=CC(=O)[C@H](CC1)C(=C)C,
1.21.3.3,,,,,,,,,
,Family. Representative Entry is ,3FW9,,,,,,,
,,,FAD:A:1,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:524,Part of Protein,,,,,[Mg+2],
,,,NAG:A:523,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,SLX:A:2,valid,,,,,COc1ccc2c(c1O)C[N@]3CCc4cc(c(cc4[C@@H]3C2)O)OC,
,,3GSY,,,,,,,
,,,DEH:A:2,valid,,,,,COc1ccc2cc-3[n+](cc2c1O)CCc4c3cc(c(c4)OC)O,
,,,FAD:A:1,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:542,Part of Protein,,,,,[Mg+2],
,,,NAG:A:541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3FWA,,,,,,,
,,,FAD:A:1,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:526,Part of Protein,,,,,[Mg+2],
,,,NAG:A:525,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,REN:A:2,valid,,,,,C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC,
2.5.1.10,,,,,,,,,
,Family. Representative Entry is ,4LPG,,,,,,,
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1MV:F:402,valid,Kd,=,55.6,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)NC(P(=O)(O)O)P(=O)(O)O,
,,1ZW5,,,,,,,
,,,MG:A:907,Part of Protein,,,,,[Mg+2],
,,,MG:A:908,Part of Protein,,,,,[Mg+2],
,,,MG:A:909,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:901,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,1YV5,,,,,,,
,,,MG:A:907,Part of Protein,,,,,[Mg+2],
,,,MG:A:908,Part of Protein,,,,,[Mg+2],
,,,MG:A:909,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RIS:A:901,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,6N7Y,,,,,,,
,,,PO4:F:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,KFA:F:402,valid,ic50,=,7.7,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O,
,,4QXS,,,,,,,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,PO4:F:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,WC1:F:403,valid,ic50,=,1.1,uM,C[C@H](c1c(c2cc(ccc2[nH]1)c3ccccc3)CC(P(=O)(O)O)P(=O)(O)O)C(C)C,
,,4P0V,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:401,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,1WO:A:402,valid,,,,,CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C,
,,2F92,,,,,,,
,,,AHD:F:9001,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,PO4:F:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,5JUZ,,,,,,,
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:F:401,invalid,,,,,[Cl-],
,,,YL4:F:403,valid,ic50,=,3,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](c4ccc5c(c4)CCO5)P(=O)(O)O,
,,4RXA,,,,,,,
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,3F2:A:1001,valid,ic50,=,1.8,uM,c1cc(cc(c1)NC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)Nc4cccc(c4)C5=NCCN5)C6=NCCN6,
,,3N49,,,,,,,
,,,3N4:F:1,valid,ic50,=,7,uM,c1ccc2c(c1)ccc3c2c(cs3)CC(=O)O,
,,,PO4:F:354,valid,,,,,[O-]P(=O)([O-])[O-],
,,5JV2,,,,,,,
,,,6O3:F:404,valid,ic50,~,100,uM,Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O,
,,,6O3:F:405,valid,ic50,~,100,uM,Cc1ccc(cc1)c2c(c3cncnc3s2)CP(=O)(O)O,
,,,CL:F:403,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3N5J,,,,,,,
,,,GO1:F:1,valid,ic50,=,6,uM,c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl,
,,,GO1:F:2,valid,ic50,=,6,uM,c1c(cc(c2c1c(c([nH]2)C(=O)O)CC(=O)O)Cl)Cl,
,,,PO4:F:354,valid,,,,,[O-]P(=O)([O-])[O-],
,,2F9K,,,,,,,
,,,PO4:F:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZOL:F:9001,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,3N45,,,,,,,
,,,3N3:F:1,valid,,,,,c1ccc(cc1)COC(=O)N2c3ccccc3C[C@H]2C(=O)O,
,,,MG:F:2,Part of Protein,,,,,[Mg+2],
,,,MG:F:3,Part of Protein,,,,,[Mg+2],
,,,MG:F:355,Part of Protein,,,,,[Mg+2],
,,,PO4:F:356,valid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:357,valid,,,,,[O-]P(=O)([O-])[O-],
,,,ZOL:F:354,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,4LPH,,,,,,,
,,,YL3:F:402,valid,Kd,=,9.2,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)NCP(=O)(O)O,
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5JV1,,,,,,,
,,,SO4:F:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YL6:F:403,valid,ic50,=,0.86,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,YL6:F:404,valid,ic50,=,0.86,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,4LFV,,,,,,,
,,,MG:F:406,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,Part of Protein,,,,,[Mg+2],
,,,PO4:F:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:F:407,invalid,,,,,[Cl-],
,,,YS4:F:401,valid,,,,,CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O,
,,2F94,,,,,,,
,,,BFQ:F:9001,valid,,,,,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,PO4:F:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,3N6K,,,,,,,
,,,BFH:F:1,valid,Kd,=,180,nM,c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O,
,,,PO4:F:354,valid,,,,,[O-]P(=O)([O-])[O-],
,,6OAH,,,,,,,
,,,PO4:F:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,M2V:F:402,valid,ic50,=,1.5,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O,
,,,M2V:F:403,valid,ic50,=,1.5,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4ccccc4)P(=O)(O)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,5JV0,,,,,,,
,,,YL5:F:405,valid,ic50,=,1.1,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,YL5:F:403,valid,ic50,=,1.1,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,YL5:F:404,valid,ic50,=,1.1,uM,Cc1ccc(cc1)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,SO4:F:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4H5E,,,,,,,
,,,IPR:F:402,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,Part of Protein,,,,,[Mg+2],
,,,YS4:F:401,valid,Kd,=,0.86,uM,CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O,
,,3N5H,,,,,,,
,,,GO0:F:1,valid,ic50,=,2,uM,c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl,
,,,GO0:F:2,valid,ic50,=,2,uM,c1cc(c2c(c1Cl)c(c([nH]2)C(=O)O)CC(=O)O)Cl,
,,,PO4:F:354,valid,,,,,[O-]P(=O)([O-])[O-],
,,6OAG,,,,,,,
,,,PO4:F:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,M2Y:F:401,valid,ic50,=,3.7,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O,
,,,M2Y:F:402,valid,ic50,=,3.7,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4ccccc4)P(=O)(O)O,
,,4H5D,,,,,,,
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,Part of Protein,,,,,[Mg+2],
,,,POP:F:402,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,YS4:F:401,valid,Kd,=,0.58,uM,CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O,
,,2F8C,,,,,,,
,,,MG:F:5001,Part of Protein,,,,,[Mg+2],
,,,MG:F:5002,Part of Protein,,,,,[Mg+2],
,,,MG:F:5003,Part of Protein,,,,,[Mg+2],
,,,PO4:F:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZOL:F:9001,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,4P0W,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:501,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,1XH:A:500,valid,,,,,C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC3=CC(=O)C=CC3=O)CCCC2=C)C,
,,3N46,,,,,,,
,,,3N5:F:1,valid,,,,,c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O,
,,,MG:F:2,Part of Protein,,,,,[Mg+2],
,,,MG:F:3,Part of Protein,,,,,[Mg+2],
,,,MG:F:355,Part of Protein,,,,,[Mg+2],
,,,PO4:F:356,valid,,,,,[O-]P(=O)([O-])[O-],
,,,ZOL:F:354,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,4P0X,,,,,,,
,,,1WO:A:1002,valid,,,,,CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C,
,,,1WO:A:1001,valid,,,,,CC(C)C1=CC2=CC(=O)[C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C,
,,6N83,,,,,,,
,,,CL:F:404,invalid,,,,,[Cl-],
,,,CL:F:403,invalid,,,,,[Cl-],
,,,YL6:F:401,valid,ic50,=,0.54,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,PO4:F:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4H5C,,,,,,,
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,Part of Protein,,,,,[Mg+2],
,,,PO4:F:402,valid,,,,,[O-]P(=O)([O-])[O-],
,,,YS4:F:401,valid,,,,,CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O,
,,5DGN,,,,,,,
,,,59Y:F:401,valid,ic50,=,1.2,uM,c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O,
,,4DEM,,,,,,,
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:404,Part of Protein,,,,,[Mg+2],
,,,YS4:F:401,valid,ic50,=,28,nM,CC(C)Oc1ccc(cc1)c2ccnc(c2)NC(P(=O)(O)O)P(=O)(O)O,
,,6N82,,,,,,,
,,,PGE:F:404,invalid,,,,,C(COCCOCCO)O,
,,,EDO:F:405,invalid,,,,,C(CO)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,YF7:F:403,valid,ic50,=,1.1,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,YF7:F:402,valid,ic50,=,1.1,uM,Cc1ccc(cc1Cl)c2cc3c(ncnc3s2)N[C@H](Cc4cccc(c4)F)P(=O)(O)O,
,,,CL:F:406,invalid,,,,,[Cl-],
,,,CL:F:407,invalid,,,,,[Cl-],
,,,PO4:F:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3N1V,,,,,,,
,,,3N1:F:1,valid,ic50,>,500,uM,Cc1c2cc(ccc2sc1CC(=O)O)Cl,
,,,3N1:F:354,valid,ic50,>,500,uM,Cc1c2cc(ccc2sc1CC(=O)O)Cl,
,,,PO4:F:355,valid,,,,,[O-]P(=O)([O-])[O-],
,,2OPM,,,,,,,
,,,MG:A:907,Part of Protein,,,,,[Mg+2],
,,,MG:A:908,Part of Protein,,,,,[Mg+2],
,,,MG:A:909,Part of Protein,,,,,[Mg+2],
,,,NI9:A:901,valid,,,,,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5JA0,,,,,,,
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FPP:F:402,valid,Kd,=,5.3,uM,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,1YQ7,,,,,,,
,,,MG:A:907,Part of Protein,,,,,[Mg+2],
,,,MG:A:908,Part of Protein,,,,,[Mg+2],
,,,MG:A:909,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RIS:A:901,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,1RQJ,,,,,,,
,,,MG:A:907,Part of Protein,,,,,[Mg+2],
,,,MG:A:908,Part of Protein,,,,,[Mg+2],
,,,MG:A:909,Part of Protein,,,,,[Mg+2],
,,,MG:B:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:905,Part of Protein,,,,,[Mg+2],
,,,MG:B:906,Part of Protein,,,,,[Mg+2],
,,,RIS:A:901,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,RIS:B:903,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:902,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,1RQI,,,,,,,
,,,DPO:A:606,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,DST:A:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:400,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,IPR:A:501,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:B:500,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:600,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1YHM,,,,,,,
,,,AHD:A:901,valid,ic50,=,147,uM,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:B:1901,valid,ic50,=,147,uM,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:C:2901,valid,ic50,=,147,uM,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,MG:B:1402,Part of Protein,,,,,[Mg+2],
,,,MG:B:1403,Part of Protein,,,,,[Mg+2],
,,,MG:C:2401,Part of Protein,,,,,[Mg+2],
,,,MG:C:2402,Part of Protein,,,,,[Mg+2],
,,,MG:C:2403,Part of Protein,,,,,[Mg+2],
,,,SO4:A:370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:C:2900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,4UMJ,,,,,,,
,,,MG:A:1300,invalid,,,,,[Mg+2],
,,,MG:A:1302,invalid,,,,,[Mg+2],
,,,MG:B:1296,invalid,,,,,[Mg+2],
,,,MG:B:1292,Part of Protein,,,,,[Mg+2],
,,,MG:A:1294,Part of Protein,,,,,[Mg+2],
,,,MG:A:1301,invalid,,,,,[Mg+2],
,,,MG:A:1296,Part of Protein,,,,,[Mg+2],
,,,MG:A:1295,Part of Protein,,,,,[Mg+2],
,,,MG:B:1293,Part of Protein,,,,,[Mg+2],
,,,BFQ:B:1294,valid,ic50,=,2.7,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:B:1295,valid,ic50,=,2.7,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:A:1297,valid,ic50,=,2.7,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:A:1298,valid,ic50,=,2.7,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:A:1299,valid,ic50,=,2.7,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,2P1C,,,,,,,
,,,ACT:A:8001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:8003,invalid,,,,,CC(=O)[O-],
,,,ACT:B:8002,invalid,,,,,CC(=O)[O-],
,,,BME:B:9001,invalid,,,,,C(CS)O,
,,,GG3:A:3001,valid,Ki,=,21,nM,C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,GG3:B:8004,valid,Ki,=,21,nM,C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4001,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,4RXE,,,,,,,
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,3YQ:B:4001,valid,ic50,=,230,nM,Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O,
,,,3YQ:A:3001,valid,ic50,=,230,nM,Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O,
,,2EWG,,,,,,,
,,,M0N:A:3001,valid,,,,,c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,M0N:B:4001,valid,,,,,c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,,PGO:A:5002,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:5003,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:5001,invalid,,,,,C[C@@H](CO)O,
,,5AFX,,,,,,,
,,,MG:B:1369,Part of Protein,,,,,[Mg+2],
,,,MG:B:1368,Part of Protein,,,,,[Mg+2],
,,,MG:A:1369,Part of Protein,,,,,[Mg+2],
,,,MG:B:1370,Part of Protein,,,,,[Mg+2],
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,MG:A:1370,Part of Protein,,,,,[Mg+2],
,,,PVZ:A:1371,valid,ic50,=,1.2,uM,CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,PVZ:B:1371,valid,ic50,=,1.2,uM,CCCCCCCCCn1cc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,3DYH,,,,,,,
,,,721:A:3001,valid,,,,,CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,721:B:4001,valid,,,,,CCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,2I19,,,,,,,
,,,1BY:A:3001,valid,,,,,c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O,
,,,1BY:B:4001,valid,,,,,c1ccnc(c1)NCC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,3EGT,,,,,,,
,,,722:A:3001,valid,Ki,=,1.26,nM,CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,722:B:4001,valid,Ki,=,1.26,nM,CCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,3EFQ,,,,,,,
,,,714:A:3001,valid,,,,,CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,714:B:4001,valid,,,,,CCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,4RXD,,,,,,,
,,,MG:A:1403,Part of Protein,,,,,[Mg+2],
,,,MG:C:1601,Part of Protein,,,,,[Mg+2],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,MG:C:1603,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1501,Part of Protein,,,,,[Mg+2],
,,,MG:C:1602,Part of Protein,,,,,[Mg+2],
,,,MG:A:1402,Part of Protein,,,,,[Mg+2],
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,RIS:B:1504,valid,ic50,=,300,nM,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,RIS:C:1600,valid,ic50,=,300,nM,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,RIS:A:1404,valid,ic50,=,300,nM,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,4RXC,,,,,,,
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,HRX:A:401,valid,ic50,~,33,uM,c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,HRX:A:405,valid,ic50,~,33,uM,c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,HRX:B:405,valid,ic50,~,33,uM,c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,HRX:B:401,valid,ic50,~,33,uM,c1cc(cnc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,3DYG,,,,,,,
,,,ACT:A:8001,invalid,,,,,CC(=O)[O-],
,,,ACT:B:8002,invalid,,,,,CC(=O)[O-],
,,,BME:A:9001,invalid,,,,,C(CS)O,
,,,BME:B:9002,invalid,,,,,C(CS)O,
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,,MG:B:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,,MPD:A:7001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:7002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NI9:A:3001,valid,,,,,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,NI9:B:4001,valid,,,,,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,Family. Representative Entry is ,4DXJ,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,IPE:A:405,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:405,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:C:405,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,ACT:C:406,invalid,,,,,CC(=O)[O-],
,,,0M9:C:404,valid,ic50,=,38,nM,CCCNCC(P(=O)(O)O)P(=O)(O)O,
,,,0M9:A:404,valid,ic50,=,38,nM,CCCNCC(P(=O)(O)O)P(=O)(O)O,
,,,0M9:B:404,valid,ic50,=,38,nM,CCCNCC(P(=O)(O)O)P(=O)(O)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:C:408,invalid,,,,,C(COCCO)O,
,,,PEG:C:407,invalid,,,,,C(COCCO)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:B:409,invalid,,,,,C(COCCOCCO)O,
,,3ICN,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,NI9:A:363,valid,,,,,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,SO4:A:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPE:A:900,Part of Protein,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3ICK,,,,,,,
,,,ACY:A:1105,invalid,,,,,CC(=O)O,
,,,M0N:A:363,valid,,,,,c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,SO4:A:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,4DWB,,,,,,,
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:506,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,IPE:A:501,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0M7:A:509,valid,ic50,=,1840,nM,CCCCCNCC(P(=O)(O)O)P(=O)(O)O,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,4DWG,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0M8:A:404,valid,ic50,=,58,nM,CCCCCCCNCC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,NA:A:408,invalid,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,3ICM,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,P2H:A:363,valid,,,,,c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,SO4:A:371,valid,,,,,[O-]S(=O)(=O)[O-],
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3ICZ,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PB6:A:363,valid,,,,,CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,1YHL,,,,,,,
,,,DMA:A:1301,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:A:1402,Part of Protein,,,,,[Mg+2],
,,,MG:A:1403,Part of Protein,,,,,[Mg+2],
,,,RIS:A:1400,valid,,,,,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,SO4:A:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IBA,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,SO4:A:371,valid,,,,,[O-]S(=O)(=O)[O-],
,,,ZOL:A:901,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,IPE:A:900,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
6.3.5.1,,,,,,,,,
,Family. Representative Entry is ,1KQP,,,,,,,
,,,ADJ:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N,
,,,ADJ:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(C4=CCCN(C4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O)O)O)O)O)N,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:B:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2005,invalid,,,,,C(CO)O,
,,,EDO:B:2006,invalid,,,,,C(CO)O,
,,,EDO:B:2007,invalid,,,,,C(CO)O,
,,,EDO:B:2009,invalid,,,,,C(CO)O,
,,,EDO:B:2010,invalid,,,,,C(CO)O,
,,,MG:A:5001,Part of Protein,,,,,[Mg+2],
,,,MG:A:5002,Part of Protein,,,,,[Mg+2],
,,,MG:B:5003,Part of Protein,,,,,[Mg+2],
,,,MG:B:5004,Part of Protein,,,,,[Mg+2],
,,,MG:B:5005,Part of Protein,,,,,[Mg+2],
,,,POP:A:4001,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:4002,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1EE1,,,,,,,
,,,ATP:A:5000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DND:A:4000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:3000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,MG:A:5500,Part of Protein,,,,,[Mg+2],
,,1IH8,,,,,,,
,,,APC:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:4002,Part of Protein,,,,,[Mg+2],
,,,MG:A:4003,Part of Protein,,,,,[Mg+2],
,,,MG:B:4004,Part of Protein,,,,,[Mg+2],
,,2NSY,,,,,,,
,,,AMP NAD:A:300,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])=O)ccc2)O1)[O-],
,,,AMP NAD:B:302,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(OP(=O)(OCC3C(O)C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])=O)ccc2)O1)[O-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,POP:A:863,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:862,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1NSY,,,,,,,
,,,AMP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:5000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:A:3000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:6241,Part of Protein,,,,,[Mg+2],
,,,MG:B:6240,Part of Protein,,,,,[Mg+2],
,,,POP:A:6000,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:7000,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1IFX,,,,,,,
,,,DND:A:8000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:7000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,1FYD,,,,,,,
,,,AMP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:2500,Part of Protein,,,,,[Mg+2],
,,,POP:A:5000,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,3DLA,,,,,,,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:681,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:682,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:683,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:684,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:681,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:682,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:683,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:684,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:681,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:682,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:683,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:684,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:685,invalid,,,,,C(C(CO)O)O,
,,,ONL:A:800,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:A:801,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:A:802,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:A:803,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,DND:A:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:C:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:D:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,3SZG,,,,,,,
,,,AMP:A:681,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:681,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:681,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:681,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:B:683,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:683,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:683,invalid,,,,,C(C(CO)O)O,
,,,POP:A:682,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:682,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:682,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:682,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,DND:A:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:C:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:D:680,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
1.2.1.28,,,,,,,,,
,Family. Representative Entry is ,5UCD,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
5.3.1.23,,,,,,,,,
,Family. Representative Entry is ,2YVK,,,,,,,
,,,MRU:A:501,valid,,,,,CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O,
,,,MRU:B:502,valid,,,,,CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O,
,,,MRU:C:503,valid,,,,,CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O,
,,,MRU:D:504,valid,,,,,CSC[C@H]([C@H](C(=O)COP(=O)(O)O)O)O,
2.1.1.62,,,,,,,,,
,Family. Representative Entry is ,5IL1,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,SAM:A:601,valid,Kd,=,1.5,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5IL2,,,,,,,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5L6D,,,,,,,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5L6E,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,SAM:A:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5K7U,,,,,,,
,,,SAM:A:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5K7W,,,,,,,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
2.7.1.149,,,,,,,,,
,Family. Representative Entry is ,3X01,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3X02,,,,,,,
,,,5GP:A:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3X05,,,,,,,
,,,AMP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6OSP,,,,,,,
,,,N51:B:4001,valid,ic50,=,190,nM,CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5,
,,,N51:A:4001,valid,ic50,=,190,nM,CN(C)C/C=C/C(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3cc(ncn3)c4c[nH]c5c4cccc5,
,,,GOL:B:4002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4002,invalid,,,,,C(C(CO)O)O,
6.3.1.20,,,,,,,,,
,Family. Representative Entry is ,6JOM,,,,,,,
,,,LAQ:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N,
,,,LAQ:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N,
1.1.1.38,,,,,,,,,
,Family. Representative Entry is ,1O0S,,,,,,,
,,,NAI:A:920,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:930,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,TTN:A:810,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,,TTN:B:815,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,1LLQ,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.1.1.6,,,,,,,,,
,Family. Representative Entry is ,1JQ5,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:371,Part of Protein,,,,,[Zn+2],
,,,ZN:A:372,Part of Protein,,,,,[Zn+2],
5.1.1.7,,,,,,,,,
,Family. Representative Entry is ,6VCL,,,,,,,
,,,0O2:B:209,valid,ic50,=,54.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,F:B:208,invalid,,,,,[F-],
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,6VCM,,,,,,,
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,invalid,,,,,[Mg+2],
,,,F:B:207,invalid,,,,,[F-],
,,,GTP:B:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:201,invalid,,,,,[Cl-],
,,6D1V,,,,,,,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,APC G   U  :C:1,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1C(O)C(n2c3ncnc(N)c3nc2)OC1COP(=O)([O-])CP(OP(=O)([O-])[O-])(=O)[O-])[O-],
1.5.1.7,,,,,,,,,
,Family. Representative Entry is ,2QRK,,,,,,,
,,,AMP:A:500,valid,Ki,=,55,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3UH1,,,,,,,
,,,GOL:A:376,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:374,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SHR:A:375,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,2QRL,,,,,,,
,,,OGA:A:500,valid,Ki,=,100,uM,C(C(=O)O)NC(=O)C(=O)O,
,,3UHA,,,,,,,
,,,CL:A:375,invalid,,,,,[Cl-],
,,,NAD:A:374,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:374,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.1.1.8,,,,,,,,,
,Family. Representative Entry is ,5NN0,,,,,,,
,,,92H:A:626,valid,Kd,=,11.1,pM,CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4,
,,,92H:A:627,valid,Kd,=,11.1,pM,CN(C)CCN(C[C@@H]1CCCN(C1)C2Cc3ccccc3C2)C(=O)c4ccc5ccccc5c4,
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:629,invalid,,,,,C(COCCO)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:622,invalid,,,,,[Cl-],
,,,CL:A:621,invalid,,,,,[Cl-],
,,,CL:A:623,invalid,,,,,[Cl-],
,,,1PG:A:628,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,MES:A:624,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:625,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG FUC NAG:D:1,invalid,,,,,,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,6QAD,,,,,,,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MES:A:617,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:622,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:621,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,HUZ:A:618,valid,ic50,=,14,nM,CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCC(CC3)N(C)C,
,,4B0O,,,,,,,
,,,15F:A:1307,valid,Ki,=,7.3,uM,[H]/N=C(/C(Cl)(Cl)Cl)OCc1cc[n+](cc1)Cc2ccccc2,
,,,BR:A:1302,invalid,,,,,[Br-],
,,,CA:A:1303,invalid,,,,,[Ca+2],
,,,CA:A:1304,invalid,,,,,[Ca+2],
,,,CL:A:1297,invalid,,,,,[Cl-],
,,,CL:A:1298,invalid,,,,,[Cl-],
,,,CL:A:1299,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,GLY:A:1296,invalid,,,,,C(C(=O)O)N,
,,,NA:A:1305,invalid,,,,,[Na+],
,,,NA:A:1306,invalid,,,,,[Na+],
,,,NAG:A:540,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:550,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:580,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:590,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:C:1,invalid,,,,,,
,,,NAG NAG FUL:B:1,invalid,,,,,,
,,6XTA,,,,,,,
,,,CL:A:615,invalid,,,,,[Cl-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG TGY:E:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,O0Z:A:612,valid,ic50,=,2.8,nM,CCCCN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCC[C@H]3CCCN(CC3)Cc4ccccc4,
,,4B0P,,,,,,,
,,,CA:A:2191,Part of Protein,,,,,[Ca+2],
,,,CA:A:2192,Part of Protein,,,,,[Ca+2],
,,,CA:A:2197,Part of Protein,,,,,[Ca+2],
,,,CA:A:2198,Part of Protein,,,,,[Ca+2],
,,,CL:A:2193,invalid,,,,,[Cl-],
,,,CL:A:2194,invalid,,,,,[Cl-],
,,,CL:A:2195,invalid,,,,,[Cl-],
,,,CL:A:2196,invalid,,,,,[Cl-],
,,,GLY:A:1178,invalid,,,,,C(C(=O)O)N,
,,,K:A:1171,invalid,,,,,[K+],
,,,MF5:A:1179,valid,Ki,=,44,uM,C[n+]1ccccc1/C=N/OCc2c(c(c(c(c2F)F)F)F)F,
,,,NA:A:1170,Part of Protein,,,,,[Na+],
,,,NA:A:2190,Part of Protein,,,,,[Na+],
,,,NAG:A:2179,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2180,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2187,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2188,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:C:1,invalid,,,,,,
,,,NAG NAG FUL:B:1,invalid,,,,,,
,,6SAM,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,L3H:A:603,valid,ic50,=,0.0645,uM,c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4ccccc4C3,
,,,NAG:A:617,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:616,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,6QAB,,,,,,,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MES:A:617,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:622,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:621,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,HUQ:A:618,valid,ic50,=,6.2,nM,CCCC[N+](C)(C)[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3,
,,6QAE,,,,,,,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,HUK:A:612,valid,ic50,=,3,nM,CCCC[NH+](C)[C@@H](Cc1c[nH]c2c1cccc2)C[NH+](C)CCC3CCCCCC3,
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,6I0B,,,,,,,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,9A5:A:613,valid,ic50,=,9.1,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NCCCCCCNc3c4ccc(cc4nc5c3CCCC5)Cl)N,
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:621,invalid,,,,,[Cl-],
,,,MES:A:612,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6EQQ,,,,,,,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:622,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,H19:A:601,valid,,,,,c1cc2c(cc1Cl)nc3c(c2N)[C@@H]4C[C@H](C3)CC(=C4)CC[NH3+],
,,,NAG NAG FUL:B:1,invalid,,,,,,
,,,BR:A:611,invalid,,,,,[Br-],
,,,UNL:A:623,invalid,,,,,NULL,
,,,CL:A:614,invalid,,,,,[Cl-],
,,,CL:A:615,invalid,,,,,[Cl-],
,,,CL:A:613,invalid,,,,,[Cl-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,NAG FUL:C:1,invalid,,,,,,
,,6R6W,,,,,,,
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,JUB:A:612,valid,Ki,=,18,nM,c1ccc(cc1)C[NH+]2CCC[C@@H](C2)CN(CC[NH+]3CCN(CC3)c4ccc(c5c4non5)[N+](=O)O)S(=O)(=O)c6ccc7ccccc7c6,
,,,DMS:A:619,invalid,,,,,CS(=O)C,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,6EQP,,,,,,,
,,,CL:A:618,invalid,,,,,[Cl-],
,,,CL:A:617,invalid,,,,,[Cl-],
,,,CL:A:619,invalid,,,,,[Cl-],
,,,CL:A:614,invalid,,,,,[Cl-],
,,,CL:A:616,invalid,,,,,[Cl-],
,,,CL:A:615,invalid,,,,,[Cl-],
,,,CL:A:613,invalid,,,,,[Cl-],
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL:D:1,invalid,,,,,,
,,,NAG NAG FUL:C:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ZN:A:620,invalid,,,,,[Zn+2],
,,,BUW:A:601,valid,Kd,=,1.1,uM,CCN(CC)[C@H](C)CN1c2ccccc2Sc3c1cccc3,
,,,SO4:A:621,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DYW,,,,,,,
,,,NAG NAG FUL:H:1,invalid,,,,,,
,,,NAG NAG FUL:I:1,invalid,,,,,,
,,,NAG NAG FUL:K:1,invalid,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,CL:B:611,invalid,,,,,[Cl-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,,,CL:A:613,invalid,,,,,[Cl-],
,,,NAG FUL NAG:J:1,invalid,,,,,,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:625,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:621,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:613,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:625,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:614,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5HF:A:601,valid,ic50,=,4.9,nM,COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3,
,,,5HF:B:601,valid,ic50,=,4.9,nM,COCCN(C[C@H]1CCCN(C1)Cc2ccccc2)S(=O)(=O)c3ccc4ccccc4c3,
,,,PG4:A:614,invalid,,,,,C(COCCOCCOCCO)O,
,,1P0P,,,,,,,
,,,BCH:A:604,valid,,,,,CCCC(=O)SCC[N+](C)(C)C,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:B:1,Part of Protein,,,,,,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VXA:A:601,Part of Protein,,,,,C[P@H](=O)[O-],
,,6R6V,,,,,,,
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,JU5:A:612,valid,Ki,=,88,nM,CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCC[C@@H](C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,1P0M,,,,,,,
,,,CHT:A:607,valid,,,,,C[N+](C)(C)CCO,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MES:A:606,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:B:1,Part of Protein,,,,,,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6EP4,,,,,,,
,,,NAG NAG FUL:C:1,invalid,,,,,,
,,,NAG NAG FUL:B:1,invalid,,,,,,
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DME:A:601,valid,Ki,=,4.5,uM,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,
,,,CL:A:614,invalid,,,,,[Cl-],
,,,CL:A:615,invalid,,,,,[Cl-],
,,,CL:A:613,invalid,,,,,[Cl-],
,,4AQD,,,,,,,
,,,BAL:A:550,invalid,,,,,C(CN)C(=O)O,
,,,BAL:B:550,invalid,,,,,C(CN)C(=O)O,
,,,CL:A:1545,invalid,,,,,[Cl-],
,,,CL:A:1546,invalid,,,,,[Cl-],
,,,CL:A:1547,invalid,,,,,[Cl-],
,,,CL:B:1546,invalid,,,,,[Cl-],
,,,CL:B:1547,invalid,,,,,[Cl-],
,,,CL:B:1549,invalid,,,,,[Cl-],
,,,CL:B:1550,invalid,,,,,[Cl-],
,,,EDO:A:1532,invalid,,,,,C(CO)O,
,,,EDO:A:1533,invalid,,,,,C(CO)O,
,,,EDO:A:1534,invalid,,,,,C(CO)O,
,,,EDO:A:1535,invalid,,,,,C(CO)O,
,,,EDO:A:1536,invalid,,,,,C(CO)O,
,,,EDO:A:1537,invalid,,,,,C(CO)O,
,,,EDO:A:1538,invalid,,,,,C(CO)O,
,,,EDO:A:1539,invalid,,,,,C(CO)O,
,,,EDO:A:1540,invalid,,,,,C(CO)O,
,,,EDO:B:1532,invalid,,,,,C(CO)O,
,,,EDO:B:1533,invalid,,,,,C(CO)O,
,,,EDO:B:1534,invalid,,,,,C(CO)O,
,,,EDO:B:1535,invalid,,,,,C(CO)O,
,,,EDO:B:1536,invalid,,,,,C(CO)O,
,,,EDO:B:1537,invalid,,,,,C(CO)O,
,,,EDO:B:1538,invalid,,,,,C(CO)O,
,,,EDO:B:1539,invalid,,,,,C(CO)O,
,,,EDO:B:1540,invalid,,,,,C(CO)O,
,,,EDO:B:1541,invalid,,,,,C(CO)O,
,,,GLY:A:1643,valid,,,,,C(C(=O)O)N,
,,,GLY:B:1642,valid,,,,,C(C(=O)O)N,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:621,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:651,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:671,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUL:H:1,invalid,,,,,,
,,,NAG NAG FUL:F:1,invalid,,,,,,
,,,NAG NAG FUL:J:1,invalid,,,,,,
,,,NAG NAG FUL:I:1,invalid,,,,,,
,,,NAG NAG FUL:K:1,invalid,,,,,,
,,,NAG NAG FUL:D:1,invalid,,,,,,
,,,NAG NAG MAN:G:1,invalid,,,,,,
,,,NAG UNX:A:651,invalid,,,,,,
,,,PEG:B:1530,invalid,,,,,C(COCCO)O,
,,,PEG:B:1531,invalid,,,,,C(COCCO)O,
,,,PG4:A:1530,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1531,invalid,,,,,C(COCCOCCOCCO)O,
,,,UNX:A:1543,invalid,,,,,*,
,,,UNX:A:1544,invalid,,,,,*,
,,,UNX:A:1548,invalid,,,,,*,
,,,UNX:B:1543,invalid,,,,,*,
,,,UNX:B:1545,invalid,,,,,*,
,,,UNX UNX:A:1541,invalid,,,,,,
,,,UNX UNX:B:1542,invalid,,,,,,
,,4BDS,,,,,,,
,,,NAG NAG FUL:C:1,invalid,,,,,,
,,,NAG NAG FUL:B:1,invalid,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:651,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:631,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNX UNX UNX UNX UNX UNX UNX:A:711,invalid,,,,,,
,,,FPK:A:710,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,CL:A:706,invalid,,,,,[Cl-],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,THA:A:701,valid,Ki,=,25,nM,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,FUC:A:612,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,6QAA,,,,,,,
,,,NAG:A:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:622,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:623,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:621,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:618,invalid,,,,,CS(=O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,MES:A:619,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,HUN:A:613,valid,ic50,=,22,nM,CCCC[NH2+][C@@H](Cc1c[nH]c2c1cccc2)C(=O)NCCC3CCCCCC3,
1.13.11.39,,,,,,,,,
,Family. Representative Entry is ,1LGT,,,,,,,
,,,BP3:A:300,valid,Kd,=,0.8,uM,c1ccc(c(c1)c2cccc(c2O)O)Cl,
,,,BP3:A:301,valid,Kd,=,0.8,uM,c1ccc(c(c1)c2cccc(c2O)O)Cl,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,1KND,,,,,,,
,,,CAQ:A:301,valid,,,,,c1ccc(c(c1)O)O,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,TBU:A:600,valid,,,,,CC(C)(C)O,
,,,TBU:A:601,valid,,,,,CC(C)(C)O,
,,1KMY,,,,,,,
,,,BPY:A:300,valid,Kd,=,8,uM,c1ccc(cc1)c2cccc(c2O)O,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,TBU:A:601,valid,,,,,CC(C)(C)O,
,,1LKD,,,,,,,
,,,BP6:A:300,valid,,,,,c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl,
,,,BP6:A:301,valid,,,,,c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,P6G:A:600,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,1KNF,,,,,,,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,MBD:A:301,valid,,,,,Cc1cccc(c1O)O,
,,,TBU:A:600,valid,,,,,CC(C)(C)O,
,,,TBU:A:601,valid,,,,,CC(C)(C)O,
,,1HAN,,,,,,,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,TBU:A:600,valid,,,,,CC(C)(C)O,
,Family. Representative Entry is ,1KW6,,,,,,,
,,,BPY:B:401,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1KW8,,,,,,,
,,,BPY:B:401,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,NO:B:501,invalid,,,,,[N]=O,
,,1EIR,,,,,,,
,,,BPY:A:301,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,1KWC,,,,,,,
,,,BPY:B:401,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,1KW9,,,,,,,
,,,BPY:B:401,valid,,,,,c1ccc(cc1)c2cccc(c2O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,2ZI8,,,,,,,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,FE2:B:701,Part of Protein,,,,,[Fe+2],
,,,SDT:A:702,valid,,,,,Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O,
,,,SDT:B:702,valid,,,,,Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O,
3.6.1.9,,,,,,,,,
,Family. Representative Entry is ,2GSU,,,,,,,
,,,AMP:A:1004,valid,Ki,=,268,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1005,valid,Ki,=,268,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,2RH6,,,,,,,
,,,AMP:A:433,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:433,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:434,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6T5J,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,MKB:B:201,valid,ic50,=,25,nM,c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5,
,,,MKB:A:201,valid,ic50,=,25,nM,c1cc2c(cc[nH]2)cc1C(=O)N3CCN(CC3)S(=O)(=O)c4ccc5c(c4)OC(=O)N5,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,invalid,,,,,[Mg+2],
,,5LPG,,,,,,,
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:B:1104,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1103,invalid,,,,,[Mg+2],
,,,71V:A:1102,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(nc2S)N,
,Family. Representative Entry is ,3T01,,,,,,,
,,,PPF:A:503,valid,Ki,=,33,uM,C(=O)(O)P(=O)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,3T02,,,,,,,
,,,PAE:A:503,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
2.5.1.26,,,,,,,,,
,Family. Representative Entry is ,5AE2,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:C:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FYC:B:888,valid,,,,,C/C(=Cc1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3,
,,,FYC:D:888,valid,,,,,C/C(=Cc1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3,
,,,FYC:C:888,valid,,,,,C/C(=Cc1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3,
,,,FYC:A:888,valid,,,,,C/C(=Cc1ccccc1F)/C(=O)NCc2ccc3c(c2)NC(=O)N3,
,,5AE3,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,AWB:C:800,valid,,,,,CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C,
,,,AWB:A:800,valid,,,,,CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C,
,,,AWB:D:800,valid,,,,,CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C,
,,,AWB:B:800,valid,,,,,CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C,
,,,SO4:B:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AE1,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:C:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B2Z:D:888,valid,,,,,C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,B2Z:B:888,valid,,,,,C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,B2Z:C:888,valid,,,,,C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,B2Z:A:888,valid,,,,,C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,4BC9,,,,,,,
,,,CNV FAD:A:998,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=C=N)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,CNV FAD:B:998,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=C=N)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,CNV FAD:C:998,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=C=N)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,CNV FAD:D:998,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(=C=N)C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BCA,,,,,,,
,,,CL:A:1659,invalid,,,,,[Cl-],
,,,CL:B:1659,invalid,,,,,[Cl-],
,,,CL:C:1659,invalid,,,,,[Cl-],
,,,CL:D:1659,invalid,,,,,[Cl-],
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1661,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1661,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1661,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BBY,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BC7,,,,,,,
,,,1DO:B:888,valid,,,,,CCCCCCCCCCCCO,
,,,1DO:C:888,valid,,,,,CCCCCCCCCCCCO,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ADZ,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,KQS:A:888,valid,,,,,C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,KQS:B:888,valid,,,,,C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,KQS:D:888,valid,,,,,C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,,,KQS:C:888,valid,,,,,C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F,
,Family. Representative Entry is ,2UUU,,,,,,,
,,,FAD:A:1587,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1587,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PL3:A:1588,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:B:1588,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:C:1587,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:D:1587,valid,,,,,CCCCCCCCCCCCCCCCO,
,,2UUV,,,,,,,
,,,FAD:A:1585,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1585,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1585,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1585,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PL3:A:1586,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:B:1586,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:D:1586,valid,,,,,CCCCCCCCCCCCCCCCO,
3.4.24.56,,,,,,,,,
,Family. Representative Entry is ,4PFC,,,,,,,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,2QX:A:1101,valid,ic50,=,4,nM,COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N,
,,,2QX:B:1101,valid,ic50,=,4,nM,COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3cc(ccc3F)CCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N,
,,4PF9,,,,,,,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,2Q6:A:1101,valid,ic50,=,4,nM,COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N,
,,,2Q6:B:1101,valid,ic50,=,4,nM,COC(=O)NC[C@@H](Cc1cc2ccccc2nc1)c3ccc(cc3)OCCCCCc4ccc(cc4)NC(=O)[C@H](C5CCCCC5)N6CCC[C@@H](C6=O)N,
,,4PF7,,,,,,,
,,,2QW:A:1101,valid,ic50,=,2000,nM,Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N,
,,,2QW:B:1101,valid,ic50,=,2000,nM,Cc1ccc(cc1)NC(=O)[C@H](C2CCCCC2)NC(=O)[C@H](CC[Se]C)N,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,3CWW,,,,,,,
,,,ACT:A:3001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3003,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3004,invalid,,,,,CC(=O)[O-],
,,,ALA PRO PRO ALA:D:1,valid,,,,,O=C(C([NH3+])C)N1C(C(=O)N2C(C=O)CCC2)CCC1,
,,,ALA PRO PRO ALA:E:1,valid,,,,,O=C(C([NH3+])C)N1C(C(=O)N2C(C=O)CCC2)CCC1,
,,,DIO:A:4002,invalid,,,,,C1COCCO1,
,,,DIO:A:4006,invalid,,,,,C1COCCO1,
,,,DIO:B:4001,invalid,,,,,C1COCCO1,
,,,DIO:B:4003,invalid,,,,,C1COCCO1,
,,,DIO:B:4005,invalid,,,,,C1COCCO1,
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
2.3.2.10,,,,,,,,,
,Family. Representative Entry is ,4II9,,,,,,,
,,,UDP ALA FGA CYS DAL DAL MUB C   C   A9Z:B:101,valid,ic50,=,930,nM,S(CC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(OP(OP(=O)(OCC2C(O)C(O)C(N3C(=O)NC(=O)C=C3)O2)[O-])(=O)[O-])C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C)CCc1n[n-][n+](C2C(O)C(COP(=O)(OC3C(O)C(N4C(=O)N=C(N)C=C4)OC3COP(=O)(OC3C(O)C(N4C(=O)N=C(N)C=C4)OC3COP(O)O)[O-])[O-])OC2n2c3ncnc(N)c3nc2)c1,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,1P4N,,,,,,,
,,,GOL:A:341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:342,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:582,Part of Protein,,,,,[Mg+2],
,,,MG:A:683,Part of Protein,,,,,[Mg+2],
,,,UMA FGA LYS DAL DAL:B:336,valid,,,,,P(=O)(OP(=O)(OC1C(NC(=O)C)C(OC(C(=O)NC(C(=O)NC(C=O)CCC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)[O-])C)C)CCCC[NH3+])C)C)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
3.5.1.9,,,,,,,,,
,Family. Representative Entry is ,4CZ1,,,,,,,
,,,MG:D:1210,Part of Protein,,,,,[Mg+2],
,,,MG:A:1210,Part of Protein,,,,,[Mg+2],
,,,MG:C:1210,Part of Protein,,,,,[Mg+2],
,,,VNJ:A:501,valid,,,,,CC(=O)c1ccccc1N,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
3.4.21.6,,,,,,,,,
,Family. Representative Entry is ,2P3T,,,,,,,
,,,993:B:500,valid,Ki,=,0.005,nM,CNc1nccn1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CL:B:502,invalid,,,,,[Cl-],
,,3IIT,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D14:A:700,valid,ic50,=,9.5,nM,C[N@@]1Cc2c(sc(n2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4cc5ccc(cc5cn4)Cl)C(=O)N(C)C)C1,
,,2Q1J,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,FXI:A:801,valid,ic50,=,0.0008,uM,CCCCN(C(=O)Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C,
,,2VVC,,,,,,,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,LZF:A:1244,valid,,,,,CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O,
,,,LZF:B:1244,valid,,,,,CO[C@H]1C[N@](C[C@@H]1NC(=O)c2ccc(s2)Cl)CC(=O)Nc3ccc(cc3F)N4C=CC=CC4=O,
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,,NA:B:1245,Part of Protein,,,,,[Na+],
,,3KQC,,,,,,,
,,,LGK:A:301,valid,Ki,=,2.2,nM,CS(=O)(=O)c1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C6=NNC(=O)N6)C3=O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,2P95,,,,,,,
,,,ME5:A:1,valid,Ki,=,0.43,nM,c1cc(ccc1C(=O)N[C@H]2CCC[C@H]2NC(=O)c3ccc(s3)Cl)N4C=CC=CC4=O,
,,2Y5F,,,,,,,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,,XWG:A:1244,valid,Ki,=,2,nM,c1cc(sc1c2cc(no2)[C@H]3[C@@H]4[C@H]([C@H]5[N@@]3CCC5)C(=O)N(C4=O)CCC[N+]6(CCCC6)CCO)Cl,
,,2W26,,,,,,,
,,,CA:A:1244,Part of Protein,,,,,[Ca+2],
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,RIV:A:1001,valid,Ki,=,0.4,nM,c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CNC(=O)c4ccc(s4)Cl,
,,2XC4,,,,,,,
,,,CA:A:1244,Part of Protein,,,,,[Ca+2],
,,,IVK:A:1246,valid,Ki,=,0.009,uM,c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)CC(F)(F)F)Cl,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,3FFG,,,,,,,
,,,FFG:A:1,valid,Ki,=,0.84,nM,c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(=O)N7)C4=O,
,,2P3U,,,,,,,
,,,663:B:500,valid,,,,,Cn1ccnc1Cc2csc(c2Cl)C(=O)Nc3c(cc(cc3OC)Cl)C(=O)Nc4ccc(cn4)Cl,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,2FZZ,,,,,,,
,,,5QC:A:1,valid,Ki,=,30,pM,c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc7c(c6)c(no7)N)C4=O,
,,3KQE,,,,,,,
,,,LGM:A:301,valid,Ki,=,8.1,nM,Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,2P93,,,,,,,
,,,ME1:A:1,valid,Ki,=,1.5,nM,c1cc(ccc1C(=O)NCCNC(=O)c2ccc(s2)Cl)N3C=CC=CC3=O,
,,3M37,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,M37:A:301,valid,,,,,c1ccc(c(c1)CN)n2c(cc(n2)C(F)(F)F)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)N,
,,2W3K,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,L1D:A:1245,valid,ic50,=,0.08,nM,c1ccc(cc1)[C@]2(C[C@@H](N(C2)C(=O)Nc3ccc(cc3)Cl)C(=O)Nc4ccc(cc4F)N5C=CC=CC5=O)O,
,,1MQ6,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,XLD:A:500,valid,Ki,=,7,pM,CN(Cc1csc(c1Cl)C(=O)Nc2c(cc(cc2OC)Cl)C(=O)Nc3ccc(cn3)Cl)C4=NCCO4,
,,2VWM,,,,,,,
,,,LZI:A:1244,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl,
,,,LZI:B:1244,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,,NA:B:1245,Part of Protein,,,,,[Na+],
,,1Z6E,,,,,,,
,,,IK8:A:711,valid,Ki,=,0.19,nM,CN(C)Cc1nccn1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4ccc5c(c4)c(no5)N)C(F)(F)F,
,,2BQ7,,,,,,,
,,,CA:B:1245,Part of Protein,,,,,[Ca+2],
,,,IID:A:1001,valid,Ki,=,89,nM,CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cccc(c4)OC,
,,5K0H,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,6PK:A:303,valid,,,,,[H]/N=C(c1ccc(cc1)CNC(=O)CNC(=O)[C@@H](COCc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N,
,,3KL6,,,,,,,
,,,443:A:1,valid,ic50,=,3.5,nM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)C[C@H](C(=O)N3CCC(CC3)N4CCCNC4=O)O,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:252,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,2XBV,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,,XBV:A:1245,valid,Kd,=,3.7,nM,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)[C@H]3C[N@](C[C@@H]3C(=O)Nc4ccc(cn4)Cl)CC(F)F,
,,2RA0,,,,,,,
,,,JNJ:A:1,valid,Ki,=,15.9,nM,CN(C)Cc1nccn1c2ccc(c(c2)F)c3ccc4c(c3F)n(nc4C(=O)N)c5ccc6c(c5)c(no6)N,
,,2BOK,,,,,,,
,,,784:A:1244,valid,Ki,=,0.28,uM,C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ccc(cc4)C(=N)N,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,2XBY,,,,,,,
,,,63C:A:1245,valid,,,,,CNC(=O)CN1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,2W3I,,,,,,,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,L1C:A:1246,valid,ic50,=,0.1,nM,c1cc(ccc1NC(=O)N2C[C@](C[C@@H]2C(=O)Nc3ccc(cn3)N4C=CC=CC4=O)(c5ccc(cc5F)F)O)Cl,
,,2PR3,,,,,,,
,,,237:A:1001,valid,ic50,=,0.16,nM,CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)c4ccccc4S(=O)(=O)C,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,2VWL,,,,,,,
,,,CA:A:1248,Part of Protein,,,,,[Ca+2],
,,,CL:A:1247,invalid,,,,,[Cl-],
,,,LZH:A:1246,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3CO)NC(=O)c4ccc(s4)Cl,
,,,NA:A:1249,Part of Protein,,,,,[Na+],
,,3LIW,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1073,Part of Protein,,,,,[Ca+2],
,,,RUP:A:1,valid,Ki,=,0.025,uM,c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2)C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4,
,,3Q3K,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D90:A:700,valid,ic50,=,7.4,nM,C[N@@]1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1,
,,2PHB,,,,,,,
,,,230:A:9001,valid,ic50,=,0.32,nM,CO[C@@H]1C[C@@H](N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O,
,,,CA:A:9000,Part of Protein,,,,,[Ca+2],
,,2Y5G,,,,,,,
,,,FJD:A:1244,valid,Ki,=,146,nM,C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4)c5ccc(s5)Cl,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,2XC5,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,,OYJ:A:1245,valid,Ki,=,0.062,uM,CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl,
,,2XBW,,,,,,,
,,,455:A:1245,valid,Ki,=,0.01,uM,c1cc(ccc1NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)N)Cl,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,3CS7,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,LG0:A:298,valid,Ki,=,0.021,nM,COc1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCN(C3=O)c4ccc(cc4)C5(CC5)CN6CCCC6,
,,2EI6,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D92:A:700,valid,ic50,=,16,nM,C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1,
,,2XC0,,,,,,,
,,,8NC:A:1246,valid,Ki,=,0.192,uM,COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C,
,,,CA:A:1247,Part of Protein,,,,,[Ca+2],
,,,NA:A:1248,Part of Protein,,,,,[Na+],
,,2JKH,,,,,,,
,,,BI7:A:1244,valid,Ki,=,9,nM,C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5ccc(s5)Cl,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,3M36,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,M35:A:301,valid,,,,,CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F,
,,3KQB,,,,,,,
,,,LGJ:A:301,valid,Ki,=,0.5,nM,CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)C5=NNC(=O)N5)C(F)(F)F,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,2VWO,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,CL:A:1250,invalid,,,,,[Cl-],
,,,CL:A:1251,invalid,,,,,[Cl-],
,,,LZG:A:1245,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)F)NC(=O)c4ccc(s4)Cl,
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,,NA:A:1248,Part of Protein,,,,,[Na+],
,,,NA:A:1249,Part of Protein,,,,,[Na+],
,,1FJS,,,,,,,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:501,invalid,,,,,C(C(CO)O)O,
,,,Z34:A:500,valid,Ki,=,0.11,nM,[H]/N=C(c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)C4=NCCN4C)F)N(C)CC(=O)O)F)O)/N,
,,2D1J,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D01:A:700,valid,,,,,c1cc2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl)[n+](c1)[O-],
,,2EI7,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D93:A:700,valid,ic50,=,16,nM,C[N@@]1CCc2c(sc(n2)C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1,
,,2P16,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,GG2:A:298,valid,Ki,=,0.08,nM,COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O,
,,2Y5H,,,,,,,
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,,Y5H:A:1244,valid,Ki,=,1620,nM,C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4coc(n4)c5ccc(s5)Cl,
,,1MQ5,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:504,invalid,,,,,C(C(CO)O)O,
,,,XLC:A:500,valid,Ki,=,1,nM,CN1CCN(CC1)Cc2csc(c2Cl)C(=O)Nc3ccc(cc3C(=O)Nc4ccc(cc4)Cl)Cl,
,,2VWN,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,CL:A:1248,invalid,,,,,[Cl-],
,,,CL:A:1249,invalid,,,,,[Cl-],
,,,H25:A:1245,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H]([C@H](C3)O)NC(=O)c4ccc(s4)Cl,
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,,NA:A:1250,Part of Protein,,,,,[Na+],
,,2XBX,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,,RR8:A:1245,valid,Ki,=,0.015,uM,CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(cc4)Cl,
,,2VVU,,,,,,,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,H22:A:1244,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@@]3CC[C@H](C3)NC(=O)c4ccc(s4)Cl,
,,,NA:A:1246,Part of Protein,,,,,[Na+],
,,2P94,,,,,,,
,,,ME4:A:1,valid,Ki,=,0.67,nM,c1cc(ccc1C(=O)N[C@H]2CCCC[C@H]2NC(=O)c3ccc4c(c3)[nH]cc4Cl)N5C=CC=CC5=O,
,,2VVV,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,H21:A:1245,valid,,,,,c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)Cn3cnc(n3)NC(=O)c4ccc(s4)Cl,
,,,NA:A:1247,Part of Protein,,,,,[Na+],
,,2G00,,,,,,,
,,,4QC:A:711,valid,Ki,=,0.18,nM,CN(C)Cc1ccccc1c2ccc(cc2)N3CCc4c(n(nc4C(F)(F)F)c5cccc(c5)C(=O)N)C3=O,
,,1V3X,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D76:A:700,valid,ic50,=,24,nM,C[N@@]1CCc2c(sc(n2)C(=O)N3CC[N@](C[C@@H]3C(=O)N)S(=O)(=O)c4ccc5cc(ccc5c4)Cl)C1,
,,3CEN,,,,,,,
,,,FXA:A:1,valid,Ki,=,5.5,nM,c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)S(=O)(=O)Nc4ccc(cn4)Cl,
,Family. Representative Entry is ,2VH6,,,,,,,
,,,GSV:A:1245,valid,Ki,=,0.2,nM,CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl,
,,2Y82,,,,,,,
,,,930:A:1245,valid,Ki,=,4,nM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@@H]5CCCN5,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,MG:A:1247,Part of Protein,,,,,[Mg+2],
,,1KSN,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,FXV:A:401,valid,Ki,=,0.4,nM,C[C@H]([C@@H](Cc1cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2)c3cc[n+](cc3)[O-],
,,1LPK,,,,,,,
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CBB:B:301,valid,Ki,=,28,nM,[H]/N=C(C1CC=CC(=C1)Cn2c3ccccc3cc2C(=O)OCC4CCCC(C4)C(=N)N)/N,
,,1EZQ,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,RPR:A:265,valid,Ki,=,0.9,nM,C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN,
,,2WYG,,,,,,,
,,,461:A:1245,valid,Ki,=,2,nM,C[C@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl)N(C)C,
,,2VH0,,,,,,,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,GSI:A:1247,valid,Ki,<,1,nM,CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)(=O)CCc4ccc(s4)Cl,
,,,MG:A:1246,Part of Protein,,,,,[Mg+2],
,,2BOH,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,IIA:B:1,valid,Ki,=,3,nM,CC(C)N1CCC(CC1)NC(=O)c2cc3ccccc3n2Cc4cc(on4)c5ccc(s5)Cl,
,,2J38,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GS5:A:1245,valid,Ki,=,47,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4s3)Cl,
,,1F0R,,,,,,,
,,,815:A:401,valid,Ki,=,22,nM,c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4ccc5ccnc(c5c4)N)nc1,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,2Y7Z,,,,,,,
,,,C0Z:A:1245,valid,Ki,=,2,nM,CN(C)[C@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,MG:A:1247,Part of Protein,,,,,[Mg+2],
,,1NFX,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,RDR:A:301,valid,Ki,=,3,nM,c1cc(cc2c1cc(s2)S(=O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO)Cl,
,,2Y81,,,,,,,
,,,931:A:1244,valid,Ki,=,2,nM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc(cc4F)[C@H]5CCCN5,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,MG:A:1246,Part of Protein,,,,,[Mg+2],
,,1NFY,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,RTR:A:301,valid,Ki,=,1.3,nM,c1cc(ccc1CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl)C(=N)N,
,,2J4I,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GSJ:A:1245,valid,Ki,=,1,nM,CC(C)N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H](C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl,
,,2UWO,,,,,,,
,,,701:A:1245,valid,Ki,=,2,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C=C(/C)c3ccc(s3)Cl,
,,2J2U,,,,,,,
,,,GSQ:A:1244,valid,Ki,=,90,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(ccc4[nH]3)Cl,
,,2Y7X,,,,,,,
,,,CA:A:1247,Part of Protein,,,,,[Ca+2],
,,,MG:A:1248,Part of Protein,,,,,[Mg+2],
,,,MZA:A:1246,valid,Ki,=,1.3,nM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)c4ccc5c(c4F)CCNC5,
,,4Y79,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,4O6:A:303,valid,Ki,=,11,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)/C=C/c3ccc(cc3)Cl,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,1LPG,,,,,,,
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,IMA:B:301,valid,Ki,=,82,nM,C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5,
,,2J94,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,G15:A:1245,valid,Ki,=,534,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3nc([nH]n3)c4ccc(s4)Cl,
,,2CJI,,,,,,,
,,,CA:A:1245,Part of Protein,,,,,[Ca+2],
,,,GSK:A:1246,valid,Ki,=,6,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl,
,,1LPZ,,,,,,,
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CMB:B:301,valid,Ki,=,25,nM,Cc1cccc2c1cc(n2Cc3cccc(c3)C(=N)N)C(=O)NCc4cc(cc(c4)Cl)Cl,
,,2Y80,,,,,,,
,,,439:A:1245,valid,Ki,=,9,nM,CN(C)[C@@H]1CCc2c1ccc(c2)N3CC[C@@H](C3=O)NS(=O)(=O)c4ccc5cc(ccc5c4)Cl,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,MG:A:1247,Part of Protein,,,,,[Mg+2],
,,2UWL,,,,,,,
,,,895:A:1245,valid,Ki,=,4,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl,
,,2WYJ,,,,,,,
,,,898:A:1244,valid,Ki,=,1,nM,C[C@@H](c1ccc(c(c1)F)N2CC[C@@H](C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl)N(C)C,
,,2UWP,,,,,,,
,,,894:A:1245,valid,Ki,=,154,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,MG:A:1247,Part of Protein,,,,,[Mg+2],
,,4Y76,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,4O1:A:302,valid,,,,,C[C@@H](C(=O)N1CCCN(CC1)C)N2CC[C@@H](C2=O)N(CC(=O)N)S(=O)(=O)c3ccc4cc(ccc4c3)Cl,
,,2J34,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GS6:A:1245,valid,Ki,=,15,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc4s3)Cl,
,,1F0S,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,PR2:A:401,valid,Ki,=,18,nM,c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc5ccncc5[nH]4)nc1,
,,1NFW,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,RRR:A:301,valid,Ki,=,1.1,nM,c1cc(sc1C=CS(=O)(=O)[N@]2CCN(C(=O)C2)Cc3cc4cnccc4[nH]3)Cl,
,,2J95,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GSX:A:1245,valid,Ki,=,4,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c4ccc(s4)Cl,
,Family. Representative Entry is ,2H9E,,,,,,,
,,,ACT:H:701,invalid,,,,,CC(=O)[O-],
,,,ACT:H:702,invalid,,,,,CC(=O)[O-],
,,,ACT:H:703,invalid,,,,,CC(=O)[O-],
,,,DTY ILE ARG LEU LPD:S:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)N)CCC1)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(CC)C,
,,,NA:H:501,Part of Protein,,,,,[Na+],
,,,PO4:H:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4BTI,,,,,,,
,,,CA:F:1245,Part of Protein,,,,,[Ca+2],
,,,CA:B:1245,Part of Protein,,,,,[Ca+2],
,,,7R9:F:1246,valid,ic50,=,0.2,nM,CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O,
,,,7R9:B:1246,valid,ic50,=,0.2,nM,CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O,
,,3K9X,,,,,,,
,,,CA:B:249,Part of Protein,,,,,[Ca+2],
,,,CA:D:249,Part of Protein,,,,,[Ca+2],
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:14,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5,invalid,,,,,C(C(CO)O)O,
,,,MBM:B:1,valid,ic50,=,4,nM,Cc1cc2cc(ccc2o1)/N=C(N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5,
,,,MBM:D:2,valid,ic50,=,4,nM,Cc1cc2cc(ccc2o1)/N=C(N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)/NC(=O)c5cccnc5,
,,,NA:B:3,Part of Protein,,,,,[Na+],
,,,NA:D:4,Part of Protein,,,,,[Na+],
,,1G2L,,,,,,,
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,T87:A:1,valid,Ki,=,57,nM,[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=NOCC(=O)OCC)/c5ccccn5)N,
,,3SW2,,,,,,,
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,FI1:B:1,valid,Ki,=,4.71,nM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN(C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC(=O)N6C5,
,,,GOL:B:8,invalid,,,,,C(C(CO)O)O,
,,,NA:B:249,Part of Protein,,,,,[Na+],
,,1XKB,,,,,,,
,,,4PP:C:998,valid,Ki,=,131,nM,c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N,
,,,4PP:D:999,valid,Ki,=,131,nM,c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,1XKA,,,,,,,
,,,4PP:C:500,valid,Ki,=,131,nM,c1cc(cc(c1)[C@H](CCCNc2ccncc2)C(=O)O)c3cccc(c3)C(=N)N,
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,4BTU,,,,,,,
,,,CA:F:1245,Part of Protein,,,,,[Ca+2],
,,,CA:B:1245,Part of Protein,,,,,[Ca+2],
,,,6XS:F:1246,valid,ic50,=,0.5,nM,CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F,
,,,6XS:B:1246,valid,ic50,=,0.5,nM,CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F,
,,3HPT,,,,,,,
,,,ACT:B:11,invalid,,,,,CC(=O)[O-],
,,,ACT:B:14,invalid,,,,,CC(=O)[O-],
,,,ACT:B:250,invalid,,,,,CC(=O)[O-],
,,,ACT:B:252,invalid,,,,,CC(=O)[O-],
,,,ACT:D:12,invalid,,,,,CC(=O)[O-],
,,,ACT:D:13,invalid,,,,,CC(=O)[O-],
,,,ACT:D:15,invalid,,,,,CC(=O)[O-],
,,,ACT:D:251,invalid,,,,,CC(=O)[O-],
,,,CA:B:249,Part of Protein,,,,,[Ca+2],
,,,CA:D:249,Part of Protein,,,,,[Ca+2],
,,,DMS:B:251,invalid,,,,,CS(=O)C,
,,,DMS:D:250,invalid,,,,,CS(=O)C,
,,,GOL:A:21,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6,invalid,,,,,C(C(CO)O)O,
,,,MES:B:9,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:10,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:B:3,Part of Protein,,,,,[Na+],
,,,NA:D:4,Part of Protein,,,,,[Na+],
,,,YET:B:1,valid,Ki,=,6.5,nM,Cc1cc2cc(ccc2o1)/N=C(/NC#N)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4,
,,,YET:D:2,valid,Ki,=,6.5,nM,Cc1cc2cc(ccc2o1)/N=C(/NC#N)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4,
,,3ENS,,,,,,,
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,ACT:D:308,invalid,,,,,CC(=O)[O-],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,ENS:B:301,valid,ic50,=,8.9,nM,COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N,
,,,ENS:D:301,valid,ic50,=,8.9,nM,COC(=O)C(=C(Nc1cccc2c1[nH]cc2Cl)N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)C#N,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,MES:B:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:D:303,Part of Protein,,,,,[Na+],
,,1WU1,,,,,,,
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,D91:A:700,valid,ic50,=,18,nM,CC(C)C[C@@H]1C[N@](CCN1C(=O)c2ncc(cn2)c3ccncc3)S(=O)(=O)c4cc5cc(ccc5[nH]4)Cl,
,,4A7I,,,,,,,
,,,A7I:B:1246,valid,Ki,=,0.002,uM,CC(C)N1CCC(CC1)NS(=O)(=O)CCNC(=O)c2ccc(s2)Cl,
,,,CA:B:1245,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1NFU,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,RRP:A:301,valid,Ki,=,18,nM,c1cc(cc(c1)C(=N)N)CN2CC[N@@](CC2=O)S(=O)(=O)c3cc4ccc(cc4s3)Cl,
1.6.-.-,,,,,,,,,
,Family. Representative Entry is ,4H2D,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2CDU,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.1.1.122,,,,,,,,,
,Family. Representative Entry is ,6P3O,,,,,,,
,,,SYT:A:402,valid,,,,,C[N@@+]12CCc3cc4c(cc3[C@@H]1Cc5ccc6c(c5C2)OCO6)OCO4,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6P3N,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6P3M,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.4.12,,,,,,,,,
,Family. Representative Entry is ,1VQ2,,,,,,,
,,,DDN:A:308,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2HVW,,,,,,,
,,,DCP:B:1202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:C:1203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DDN:A:1301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O,
,,,DDN:B:1302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O,
,,,DDN:C:1303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C[C@H](NC2=O)O)COP(=O)(O)O)O,
,,,DIO:A:1401,invalid,,,,,C1COCCO1,
,,,DIO:B:1402,invalid,,,,,C1COCCO1,
,,,DIO:C:1403,invalid,,,,,C1COCCO1,
,,,MG:B:1102,invalid,,,,,[Mg+2],
,,,MG:A:1101,invalid,,,,,[Mg+2],
,,,MG:C:1103,invalid,,,,,[Mg+2],
,,,CDP:A:1201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1005,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1006,Part of Protein,,,,,[Zn+2],
2.1.2.10,,,,,,,,,
,Family. Representative Entry is ,1WOR,,,,,,,
,,,RED:A:900,valid,,,,,C(CCC(=O)O)C[C@H](CCS)S,
,,1WOO,,,,,,,
,,,THG:A:2887,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,1WOP,,,,,,,
,,,FFO:A:2887,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:A:2888,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,Family. Representative Entry is ,3TFJ,,,,,,,
,,,ACT:A:371,invalid,,,,,CC(=O)[O-],
,,,ACT:B:371,invalid,,,,,CC(=O)[O-],
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:372,invalid,,,,,C(C(CO)O)O,
,,,NA:A:373,Part of Protein,,,,,[Na+],
,,,NA:B:373,Part of Protein,,,,,[Na+],
,,,THG:A:370,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:370,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,3TFI,,,,,,,
,,,DQY:A:370,valid,,,,,CS(C)CCC(=O)O,
,,,DQY:B:370,valid,,,,,CS(C)CCC(=O)O,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:371,invalid,,,,,C(C(CO)O)O,
,,,NA:A:372,Part of Protein,,,,,[Na+],
,,,NA:B:372,Part of Protein,,,,,[Na+],
2.6.1.93,,,,,,,,,
,Family. Representative Entry is ,6CBN,,,,,,,
,,,OZY:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O,
,,,OZY:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,6CBK,,,,,,,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,6CBL,,,,,,,
,,,DOW:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:H:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:E:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:G:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,6CBM,,,,,,,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,OZY:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O,
,,,OZY:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@H]([C@@H](C[C@@H]([C@H]4O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CN)O)O)N)N)N)O)CO)N)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
3.2.1.133,,,,,,,,,
,Family. Representative Entry is ,1QHO,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC AGL GLC GLC GLC:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(C)O2)C(CO)O1,
,,1QHP,,,,,,,
,,,CA:A:696,Part of Protein,,,,,[Ca+2],
,,,CA:A:697,Part of Protein,,,,,[Ca+2],
,,,CA:A:698,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
2.3.1.157,,,,,,,,,
,Family. Representative Entry is ,3TWD,,,,,,,
,,,GOB:A:1,valid,ic50,=,0.018,uM,COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC,
,,,GOB:B:454,valid,ic50,=,0.018,uM,COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)N(c2ccccc2)c3ccc(cc3)N)OC,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AA7,,,,,,,
,,,R82:A:1454,valid,ic50,=,2,uM,C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C,
,,,R82:B:1454,valid,ic50,=,2,uM,C[C@@H]1Cc2ccccc2N1S(=O)(=O)c3cc(c(cc3OC)OC)NC(=O)C,
,,,SO4:A:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
1.4.4.2,,,,,,,,,
,Family. Representative Entry is ,1WYV,,,,,,,
,,,PLP AOA:B:1475,valid,,,,,P(=O)(OCC=1C(CNOCC(=O)[O-])C(O)=C(C)NC=1)([O-])[O-],
,,,PLP AOA:D:2475,valid,,,,,P(=O)(OCC=1C(CNOCC(=O)[O-])C(O)=C(C)NC=1)([O-])[O-],
,,,PLP AOA:F:3475,valid,,,,,P(=O)(OCC=1C(CNOCC(=O)[O-])C(O)=C(C)NC=1)([O-])[O-],
,,,PLP AOA:H:4475,valid,,,,,P(=O)(OCC=1C(CNOCC(=O)[O-])C(O)=C(C)NC=1)([O-])[O-],
,Family. Representative Entry is ,4LHD,,,,,,,
,,,PO4:A:1009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLY:A:1004,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:1001,valid,,,,,C(C(=O)O)N,
,,,GLY:A:1003,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1002,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:1002,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,BCT:B:1003,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1007,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1005,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1006,invalid,,,,,C(=O)(O)[O-],
,,4LHC,,,,,,,
,,,PO4:B:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLY:A:1004,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:1001,valid,,,,,C(C(=O)O)N,
,,,GLY:A:1003,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1002,valid,,,,,C(C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,BCT:B:1002,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1005,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1006,invalid,,,,,C(=O)(O)[O-],
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1014,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,EDO:B:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,BCN:A:1017,invalid,,,,,C(CO)N(CCO)CC(=O)O,
5.3.1.28,,,,,,,,,
,Family. Representative Entry is ,5LU5,,,,,,,
,,,NA  ACT:C:205,invalid,,,,,,
,,,M7P:B:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:C:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:A:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:D:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:C:202,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:204,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:204,invalid,,,,,C(COCCOCCO)O,
,,,MG:D:205,invalid,,,,,[Mg+2],
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,5LU7,,,,,,,
,,,PG4:A:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,M7P:C:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:B:202,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:A:202,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:D:201,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:205,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,2XBL,,,,,,,
,,,M7P:A:1198,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:B:1197,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:C:1197,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:D:1199,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,PEG:D:1200,invalid,,,,,C(COCCO)O,
,,,PG4:A:1199,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:C:1198,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:1197,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1196,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1196,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1198,Part of Protein,,,,,[Zn+2],
,,5LTZ,,,,,,,
,,,NA:D:203,invalid,,,,,[Na+],
,,,I22:B:206,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:A:203,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:B:204,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:A:205,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,PGE:C:201,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:205,Part of Protein,,,,,[Zn+2],
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,PG4:A:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,PEG:D:201,invalid,,,,,C(COCCO)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,5LU6,,,,,,,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,PGE:B:203,invalid,,,,,C(COCCOCCO)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,I22:B:201,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:D:201,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:A:201,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,,,I22:C:201,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
3.5.99.6,,,,,,,,,
,Family. Representative Entry is ,2BKX,,,,,,,
,,,F6R:A:1243,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:1243,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,2BKV,,,,,,,
,,,PGA:A:1242,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:1243,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1NE7,,,,,,,
,,,16G:A:4299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:2299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:C:3299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:D:7299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:E:5299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:F:6299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,AGP:A:2298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:B:3298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:C:4298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:D:5298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:E:6298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:F:7298,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,GLC:J:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:J:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:L:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:L:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:I:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:I:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:K:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:K:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:G:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:G:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:H:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:H:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:A:2296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:6296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:7296,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2RI1,,,,,,,
,,,BTB:A:235,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:235,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,GLP:A:234,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,GLP:B:234,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
1.5.5.1,,,,,,,,,
,Family. Representative Entry is ,2GMH,,,,,,,
,,,BHG:A:616,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,BHG:A:617,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,BHG:B:618,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:A:628,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,FAD:A:611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:614,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1070,Part of Protein,,,,,[Na+],
,,,SF4:A:610,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:613,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UQ5:A:612,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ5:B:615,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
2.3.1.-,,,,,,,,,
,Family. Representative Entry is ,6SP0,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4QC6,,,,,,,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,,FMT:A:204,invalid,,,,,C(=O)O,
,,,FMT:B:205,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,30N:B:202,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O,
,,,30N:A:202,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS(=O)O)O,
,,,KAN:A:201,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:201,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,Family. Representative Entry is ,2IU8,,,,,,,
,,,BME:A:1351,invalid,,,,,C(CS)O,
,,,EDO:A:1350,invalid,,,,,C(CO)O,
,,,PLM:A:1349,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:1349,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:1351,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:B:1348,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,2QHV,,,,,,,
,,,OC9:A:1001,valid,,,,,CCCCCCCCO,
,,2QHU,,,,,,,
,,,OYA:A:1001,valid,,,,,CCCCCCCC=O,
,Family. Representative Entry is ,3KYQ,,,,,,,
,,,DPV:A:201,valid,Kd,=,61,uM,CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C,
,,,SO4:A:199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6RFT,,,,,,,
,,,ACO:D:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:E:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4MFL,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GHP 3MY 3FG GHP GHP OMY 3FG GCS NAG MAN:B:397,valid,,,,,Clc1c2Oc3c(OC4C([NH3+])C(O)C(O)C(CO)O4)c4Oc5c(Cl)cc(cc5)CC5C(=O)NC(C(=O)NC(C(=O)NC6C(=O)NC(C(=O)NC(C(=O)[O-])c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(OC6C(NC(=O)C)C(O)C(O)C(CO)O6)c(c1)cc2)c(c3)c4)c1cc(O)cc(Oc2c(O)ccc(C([NH3+])C(=O)N5)c2)c1,
,,,MFK:A:404,valid,,,,,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4Q36,,,,,,,
,,,GCS:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO8:A:405,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4MFQ,,,,,,,
,,,GHP 3MY 3FG GHP GHP OMY 3FG GCS NAG MAN DKA:B:397,valid,,,,,Clc1c2Oc3c(OC4C(NC(=O)CCCCCCCCC)C(O)C(O)C(CO)O4)c4Oc5c(Cl)cc(cc5)CC5C(=O)NC(C(=O)NC(C(=O)NC6C(=O)NC(C(=O)NC(C(=O)[O-])c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(OC6C(NC(=O)C)C(O)C(O)C(CO)O6)c(c1)cc2)c(c3)c4)c1cc(O)cc(Oc2c(O)ccc(C([NH3+])C(=O)N5)c2)c1,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DAL:B:505,valid,,,,,C[C@H](C(=O)O)N,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4MFP,,,,,,,
,,,GHP 3MY 3FG GHP GHP OMY 3FG GCS NAG MAN DKA:B:397,valid,,,,,Clc1c2Oc3c(OC4C(NC(=O)CCCCCCCCC)C(O)C(O)C(CO)O4)c4Oc5c(Cl)cc(cc5)CC5C(=O)NC(C(=O)NC(C(=O)NC6C(=O)NC(C(=O)NC(C(=O)[O-])c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(OC6C(NC(=O)C)C(O)C(O)C(CO)O6)c(c1)cc2)c(c3)c4)c1cc(O)cc(Oc2c(O)ccc(C([NH3+])C(=O)N5)c2)c1,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4MFK,,,,,,,
,,,MFK:A:401,valid,,,,,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Q38,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEC:A:404,valid,,,,,CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O,
,,,COA:A:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5F2T,,,,,,,
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,5OCE,,,,,,,
,,,BMA:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,9R2:D:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,9R2:C:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,9R2:B:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,5F31,,,,,,,
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,EOH:A:402,invalid,,,,,CCO,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4EA7,,,,,,,
,,,CL:A:2003,invalid,,,,,[Cl-],
,,,COA:A:2001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,JB2:A:2002,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N,
,,4EA9,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,JBT:A:1001,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N[C@H](C)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O,
,,4EAA,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,COA:A:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,JB2:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N,
,,,NA:A:303,invalid,,,,,[Na+],
,,4EAB,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,COA:A:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,JB2:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N,
,,,NA:A:303,invalid,,,,,[Na+],
,,4EA8,,,,,,,
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,COA:A:1001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,JB3:A:1002,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)NC(=O)C,
,Family. Representative Entry is ,6EDV,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,COA:A:204,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,6EDD,,,,,,,
,,,UNX:B:206,invalid,,,,,*,
,,,UNX:A:204,invalid,,,,,*,
,,,UNX:A:203,invalid,,,,,*,
,,,UNX:A:205,invalid,,,,,*,
,,,UNX:B:205,invalid,,,,,*,
,,,UNX:B:204,invalid,,,,,*,
,,,TRS:B:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,COA:A:206,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:207,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5WJE,,,,,,,
,,,ASP ASP ASP ILE NH2 CMC:B:1,valid,ic50,=,0.38,uM,S(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(CC)C)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,5WJD,,,,,,,
,,,ACO:A:201,invalid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CIT:A:202,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,2QHS,,,,,,,
,,,OCA:A:3913,valid,,,,,CCCCCCCC(=O)O,
,Family. Representative Entry is ,3MQG,,,,,,,
,,,ACO:A:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:E:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:191,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,EDO:B:194,invalid,,,,,C(CO)O,
,,,EDO:C:194,invalid,,,,,C(CO)O,
,,,EDO:D:194,invalid,,,,,C(CO)O,
,,,EDO:D:196,invalid,,,,,C(CO)O,
,,,NA:A:193,Part of Protein,,,,,[Na+],
,,,NA:D:193,Part of Protein,,,,,[Na+],
,,,PE4:C:193,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PO4:B:193,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:195,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U5P:A:192,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:192,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:E:192,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UDP:B:192,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:192,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP UDP:F:192,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,,3MQH,,,,,,,
,,,COA:A:192,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:192,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:191,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:192,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:192,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:191,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:193,invalid,,,,,C(CO)O,
,,,EDO:A:195,invalid,,,,,C(CO)O,
,,,EDO:B:193,invalid,,,,,C(CO)O,
,,,EDO:B:194,invalid,,,,,C(CO)O,
,,,EDO:C:194,invalid,,,,,C(CO)O,
,,,EDO:C:195,invalid,,,,,C(CO)O,
,,,EDO:C:196,invalid,,,,,C(CO)O,
,,,EDO:D:193,invalid,,,,,C(CO)O,
,,,EDO:D:194,invalid,,,,,C(CO)O,
,,,EDO:D:195,invalid,,,,,C(CO)O,
,,,EDO:E:193,invalid,,,,,C(CO)O,
,,,EDO:F:194,invalid,,,,,C(CO)O,
,,,MJZ:A:191,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,MJZ:B:191,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,MJZ:C:192,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,MJZ:D:191,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,MJZ:E:191,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,MJZ:F:192,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)N,
,,,NA:A:194,Part of Protein,,,,,[Na+],
,,,NA:D:196,Part of Protein,,,,,[Na+],
,,,PE4:C:197,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PO4:C:193,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:193,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1QSN,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1QSR,,,,,,,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1Q2D,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5MPT,,,,,,,
,,,EDO:A:2203,invalid,,,,,C(CO)O,
,,,EDO:A:2202,invalid,,,,,C(CO)O,
,,,SAH:A:2201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5XJ8,,,,,,,
,,,NKO:B:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6CGD,,,,,,,
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,AKN:D:600,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N,
,,,AKN:A:600,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N,
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,5IQI,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5IQE,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,NMY:D:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:A:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:B:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:C:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,6CEY,,,,,,,
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,LIV:D:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H](C[C@@H]([C@H](O2)CO)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)N)O)O)N,
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,5IQF,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,,GOL:D:807,invalid,,,,,C(C(CO)O)O,
,,4ORK,,,,,,,
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,GDP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6CH4,,,,,,,
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,5IQH,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,5IQG,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,51G:A:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:C:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:B:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:D:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,6C5U,,,,,,,
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,RIO:A:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:B:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:D:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,5BYL,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GCP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,5IQA,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5IQD,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,RIO:B:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:A:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:C:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:D:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,6CGG,,,,,,,
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,84G:D:600,valid,,,,,C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N,
,,,84G:B:600,valid,,,,,C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)NC(=O)[C@H](CCN)O)N)N,
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,5IQB,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,KAN:C:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:A:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:D:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,5IQC,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:D:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,51G:A:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:C:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:B:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,51G:D:600,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,CL:B:801,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2WPX,,,,,,,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5VRH,,,,,,,
,,,PLM:A:605,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:604,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,OLC:A:608,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:607,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLB:A:602,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:601,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,CL:A:606,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2ZPA,,,,,,,
,,,ACO:A:700,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:701,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4UA3,,,,,,,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4R3L,,,,,,,
,,,SER SER GLY THR PRO THR:B:1,valid,,,,,O=C(NC(C=O)CO)C([NH3+])CO,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2X7B,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4R3K,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6AG4,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5C88,,,,,,,
,,,COA:B:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6AG5,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4LX9,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ACO:A:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1M4I,,,,,,,
,,,COA:A:600,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,KAN:A:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,PAP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,1M4D,,,,,,,
,,,COA:A:600,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PAP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,,TOY:A:500,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,,TOY:B:501,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,1M4G,,,,,,,
,,,COA:A:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PAP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,,PAP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,,RIO:A:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:B:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,Family. Representative Entry is ,5WGC,,,,,,,
,,,AFY:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O,
,,,AFY:B:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O,
,Family. Representative Entry is ,2WPW,,,,,,,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4JD3,,,,,,,
,,,PLM:A:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4JAP,,,,,,,
,,,PLM:D:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,14U:A:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O,
,,,14U:B:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)C(C)C(=O)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4JAO,,,,,,,
,,,JAO:C:401,invalid,,,,,CCCCCCCCCCCCCCC[C@H](C)CO,
,,,JAO:B:401,invalid,,,,,CCCCCCCCCCCCCCC[C@H](C)CO,
,,,PLM:A:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,4JAT,,,,,,,
,,,PLM:A:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,4JAQ,,,,,,,
,,,PLM:B:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:402,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,14V:D:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O,
,,,14V:A:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)CC(=O)CC(=O)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6NBE,,,,,,,
,,,LAB:A:402,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,COA:N:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CA:A:400,invalid,,,,,[Ca+2],
,,,MES:N:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6NBW,,,,,,,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MES:N:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,LAB:A:403,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,SOP:N:400,valid,,,,,CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1S7N,,,,,,,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3TE4,,,,,,,
,,,ACO:A:231,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3W6X,,,,,,,
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,P6G:L:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:J:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:302,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:F:302,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:G:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:302,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:K:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:H:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:I:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:301,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,HZP:A:301,valid,,,,,C1[C@@H](CN[C@@H]1C(=O)O)O,
,,,HZP:C:301,valid,,,,,C1[C@@H](CN[C@@H]1C(=O)O)O,
,,,HZP:B:301,valid,,,,,C1[C@@H](CN[C@@H]1C(=O)O)O,
,,,HZP:F:301,valid,,,,,C1[C@@H](CN[C@@H]1C(=O)O)O,
,Family. Representative Entry is ,1Q2C,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5JPH,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5XXS,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,COA:A:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5XJ7,,,,,,,
,,,78M:A:307,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:302,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:306,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:304,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:305,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:301,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:303,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,87O:A:309,valid,,,,,CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O,
,,,87O:A:308,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O,
,,,K:A:310,Part of Protein,,,,,[K+],
,,,K:A:311,Part of Protein,,,,,[K+],
,,5XJ6,,,,,,,
,,,OLC:A:304,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:305,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:302,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:303,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,G3P:A:301,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4U9W,,,,,,,
,,,SER GLY ARG GLY LYS NH2:G:1,valid,,,,,,
,,,SER GLY ARG GLY LYS NH2:F:1,valid,,,,,,
,,,SER GLY ARG GLY LYS NH2:H:1,valid,,,,,,
,,,SER GLY ARG GLY LYS NH2:E:1,valid,,,,,,
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:H:101,invalid,,,,,[Na+],
,,,NA:E:101,invalid,,,,,[Na+],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4U9V,,,,,,,
,,,ACO:B:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1GHE,,,,,,,
,,,ACO:A:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:302,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4MFZ,,,,,,,
,,,MFK:A:401,valid,,,,,CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
1.6.5.2,,,,,,,,,
,Family. Representative Entry is ,4YQE,,,,,,,
,,,FMN:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLQ:A:202,valid,,,,,C1=CC(=O)C=CC1=O,
,,,PLQ:B:201,valid,,,,,C1=CC(=O)C=CC1=O,
,,3ZHO,,,,,,,
,,,FMN:A:1198,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1198,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B6I,,,,,,,
,,,15P:A:201,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:201,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B6K,,,,,,,
,,,15P:A:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:203,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:203,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLQ:A:201,valid,,,,,C1=CC(=O)C=CC1=O,
,,,PLQ:B:201,valid,,,,,C1=CC(=O)C=CC1=O,
,,5F12,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B6M,,,,,,,
,,,144:A:201,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:B:201,invalid,,,,,C[N+](CO)(CO)CO,
,,,15P:A:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2R97,,,,,,,
,,,FMN:A:198,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:198,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B6J,,,,,,,
,,,15P:A:202,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:203,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:204,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:203,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:204,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:205,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,AMP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5F4B,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.2.1.28,,,,,,,,,
,Family. Representative Entry is ,2JF4,,,,,,,
,,,VDM:A:1548,valid,Kd,=,7,nM,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO,
,,2JJB,,,,,,,
,,,3CU GLC:A:1547,valid,Ki,=,12,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C2C(O)C(O)C(CO)[NH+]2C1,
,,,3CU GLC:B:1545,valid,Ki,=,12,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C2C(O)C(O)C(CO)[NH+]2C1,
,,,3CU GLC:C:1546,valid,Ki,=,12,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C2C(O)C(O)C(CO)[NH+]2C1,
,,,3CU GLC:D:1547,valid,Ki,=,12,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C2C(O)C(O)C(CO)[NH+]2C1,
,,,EDO:A:1561,invalid,,,,,C(CO)O,
,,,EDO:B:1554,invalid,,,,,C(CO)O,
,,,EDO:C:1559,invalid,,,,,C(CO)O,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1560,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WYN,,,,,,,
,,,CA:A:1558,Part of Protein,,,,,[Ca+2],
,,,LG9 GLC:A:1547,valid,Ki,=,2.8,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(CO)C2C(O)C(O)C(CO)[NH+]2C1,
,,,LG9 GLC:B:1547,valid,Ki,=,2.8,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(CO)C2C(O)C(O)C(CO)[NH+]2C1,
,,,LG9 GLC:C:1547,valid,Ki,=,2.8,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(CO)C2C(O)C(O)C(CO)[NH+]2C1,
,,,LG9 GLC:D:1547,valid,Ki,=,2.8,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(CO)C2C(O)C(O)C(CO)[NH+]2C1,
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JG0,,,,,,,
,,,TTZ:A:1548,valid,Kd,=,15,nM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)NC2=N[C@@H]3[C@H](S2)[C@H]([C@@H]([C@@]3(CO)O)O)O)O)O)O)O,
,Family. Representative Entry is ,5N6N,,,,,,,
,,,CA:C:801,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,5Z66,,,,,,,
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VDM:A:609,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
1.1.1.44,,,,,,,,,
,Family. Representative Entry is ,3FWN,,,,,,,
,,,6PG:A:2002,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:2001,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,ATR:B:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,2ZYA,,,,,,,
,,,6PG:A:2002,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:2001,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,2ZYD,,,,,,,
,,,GLO:A:3929,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,Family. Representative Entry is ,6FQZ,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:512,invalid,,,,,C(COCCO)O,
,,,PEG:A:513,invalid,,,,,C(COCCO)O,
,,,PEG:A:512,invalid,,,,,C(COCCO)O,
,,,PEG:B:513,invalid,,,,,C(COCCO)O,
,,,6PG:B:501,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:A:501,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,PGE:B:511,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,2W90,,,,,,,
,,,6PG:A:500,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,SO4:B:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2W8Z,,,,,,,
,,,6PG:A:1470,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:1469,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,SO4:A:1471,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1472,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1474,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1PGP,,,,,,,
,,,6PG:A:502,valid,Kd,=,2,uM,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GWK,,,,,,,
,,,3PG:A:501,valid,Kd,=,460,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:A:504,valid,Kd,=,460,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1PGO,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PGN,,,,,,,
,,,NBP:A:499,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)OP(=O)(O)O)O)O)O)C(=O)N,
,,,POP:A:506,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2IZ1,,,,,,,
,,,ATR:A:1470,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:1470,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:C:1470,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,CL:B:1471,invalid,,,,,[Cl-],
,,,CL:B:1472,invalid,,,,,[Cl-],
,,,CL:C:1471,invalid,,,,,[Cl-],
,,,CL:C:1472,invalid,,,,,[Cl-],
,,,P33:A:1472,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:C:1473,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PEG:A:1473,invalid,,,,,C(COCCO)O,
,,,RES:A:1471,valid,,,,,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,2IYO,,,,,,,
,,,6PG:A:1471,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,CAC:A:1472,invalid,,,,,C[As](=O)(C)[O-],
,Family. Representative Entry is ,2P4Q,,,,,,,
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
4.2.1.-,,,,,,,,,
,Family. Representative Entry is ,2GN4,,,,,,,
,,,MES:B:336,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:337,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UD1:A:335,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:335,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2GN8,,,,,,,
,,,MES:A:337,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAP:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UDP:A:335,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:335,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1PN4,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,HDC:A:1277,valid,,,,,CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,HDC:B:2277,valid,,,,,CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,HDC:D:3277,valid,,,,,CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2EB5,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,,,MG:E:1005,Part of Protein,,,,,[Mg+2],
,,,OXL:A:2001,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:2002,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:2003,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:2004,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:2005,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,SCN:A:3002,invalid,,,,,C(#N)[S-],
,,,SCN:A:3007,invalid,,,,,C(#N)[S-],
,,,SCN:B:3001,invalid,,,,,C(#N)[S-],
,,,SCN:C:3003,invalid,,,,,C(#N)[S-],
,,,SCN:C:3006,invalid,,,,,C(#N)[S-],
,,,SCN:D:3004,invalid,,,,,C(#N)[S-],
,,,SCN:E:3005,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,3D04,,,,,,,
,,,BEN:A:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:F:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,,SAK:A:163,valid,Ki,=,0.9,uM,COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O,
,,,SAK:C:162,valid,Ki,=,0.9,uM,COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O,
,,3CF8,,,,,,,
,,,BEN:A:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:163,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,,QUE:A:164,valid,Ki,=,12.7,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:C:162,valid,Ki,=,12.7,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,3DOZ,,,,,,,
,,,3BE:B:163,valid,ic50,=,1.98,uM,c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,3BE:C:162,valid,ic50,=,1.98,uM,c1cc(cc(c1)Br)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,BEN:A:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:163,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,3ED0,,,,,,,
,,,BEN:A:160,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:160,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:160,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:160,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:162,invalid,,,,,[Cl-],
,,,CL:B:162,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:161,invalid,,,,,[Cl-],
,,,CL:E:162,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,,EMO:A:163,valid,Kd,=,0.45,uM,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,EMO:C:161,valid,Kd,=,0.45,uM,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,3B7J,,,,,,,
,,,BEN:A:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:162,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:F:161,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,,JUG:B:163,valid,Ki,=,6.8,uM,c1cc2c(c(c1)O)C(=O)C=CC2=O,
,,,JUG:C:162,valid,Ki,=,6.8,uM,c1cc2c(c(c1)O)C(=O)C=CC2=O,
,,3DP3,,,,,,,
,,,4BB:A:163,valid,ic50,=,1.52,uM,CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,4BB:C:162,valid,ic50,=,1.52,uM,CC(C)(C)c1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,BEN:A:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,3DP2,,,,,,,
,,,4BE:B:162,valid,ic50,=,1.5,uM,c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br,
,,,4BE:C:161,valid,ic50,=,1.5,uM,c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Br,
,,,BEN:A:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:163,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,3DP1,,,,,,,
,,,2RB:B:162,valid,ic50,=,9.92,uM,COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,2RB:C:161,valid,ic50,=,9.92,uM,COc1ccc(cc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,BEN:B:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:F:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,3DP0,,,,,,,
,,,2BC:B:162,valid,ic50,=,1.42,uM,c1ccc2cc(ccc2c1)C(=O)N/N=C/c3cc(c(c(c3O)Br)O)Br,
,,,BEN:A:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:161,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:162,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:163,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:164,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,CL:C:160,invalid,,,,,[Cl-],
,,,CL:D:160,invalid,,,,,[Cl-],
,,,CL:E:160,invalid,,,,,[Cl-],
,,,CL:F:160,invalid,,,,,[Cl-],
,,3DOY,,,,,,,
,,,2BE:A:3001,valid,ic50,=,1.52,uM,c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl,
,,,2BE:C:3002,valid,ic50,=,1.52,uM,c1cc(ccc1C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br)Cl,
,,,BEN:A:2001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2005,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:2007,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:2009,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:2004,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:E:2008,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1003,invalid,,,,,[Cl-],
,,,CL:D:1004,invalid,,,,,[Cl-],
,,,CL:E:1005,invalid,,,,,[Cl-],
,,,CL:F:1006,invalid,,,,,[Cl-],
,,2GLP,,,,,,,
,,,BDE:A:3001,valid,Ki,=,9.7,uM,c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,BDE:C:3002,valid,Ki,=,9.7,uM,c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br,
,,,BEN:A:2001,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2004,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2005,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2007,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2009,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:2006,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:2008,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:2010,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:F:2002,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:F:2003,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1003,invalid,,,,,[Cl-],
,,,CL:D:1004,invalid,,,,,[Cl-],
,,,CL:E:1005,invalid,,,,,[Cl-],
,,,CL:F:1006,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1R6W,,,,,,,
,,,164:A:735,valid,,,,,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,
,,,MG:A:736,Part of Protein,,,,,[Mg+2],
,,1FHV,,,,,,,
,,,MG:A:790,Part of Protein,,,,,[Mg+2],
,,,OSB:A:789,valid,,,,,c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O,
2.5.1.7,,,,,,,,,
,Family. Representative Entry is ,2RL1,,,,,,,
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:712,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3SWE,,,,,,,
,,,EPZ:A:508,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2RL2,,,,,,,
,,,GG6:A:425,invalid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:712,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,3ZH4,,,,,,,
,,,PEG:A:1420,invalid,,,,,C(COCCO)O,
,,,FLC:A:1419,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,1EYN,,,,,,,
,,,2AN:A:550,valid,Kd,=,40.8,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,GOL:A:551,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:552,invalid,,,,,C(C(CO)O)O,
,,1DLG,,,,,,,
,,,HAI:A:1424,valid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:B:1420,valid,,,,,C1CCC(CC1)[NH3+],
,,,HAI:B:1422,valid,,,,,C1CCC(CC1)[NH3+],
,,,PO4:A:1500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3SWA,,,,,,,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:424,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,UD1:A:425,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:426,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3KR6,,,,,,,
,,,FFQ:A:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,UD1:A:450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3UPK,,,,,,,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,PGE:A:420,invalid,,,,,C(COCCOCCO)O,
,,,UD1:A:427,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3V4T,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:C:502,invalid,,,,,CC(=O)[O-],
,,,ACT:C:503,invalid,,,,,CC(=O)[O-],
,,,ACT:D:502,invalid,,,,,CC(=O)[O-],
,,,ACT:D:503,invalid,,,,,CC(=O)[O-],
,,,ACT:E:502,invalid,,,,,CC(=O)[O-],
,,,ACT:E:503,invalid,,,,,CC(=O)[O-],
,,,ACT:E:504,invalid,,,,,CC(=O)[O-],
,,,ACT:F:502,invalid,,,,,CC(=O)[O-],
,,,ACT:F:503,invalid,,,,,CC(=O)[O-],
,,,ACT:F:504,invalid,,,,,CC(=O)[O-],
,,,ACT:H:502,invalid,,,,,CC(=O)[O-],
,,,ACT:H:503,invalid,,,,,CC(=O)[O-],
,,,ACT:H:504,invalid,,,,,CC(=O)[O-],
,,,ACT:H:505,invalid,,,,,CC(=O)[O-],
,,,ACT:H:506,invalid,,,,,CC(=O)[O-],
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:E:506,invalid,,,,,C(CO)O,
,,,EDO:E:507,invalid,,,,,C(CO)O,
,,,EDO:E:508,invalid,,,,,C(CO)O,
,,,EDO:E:509,invalid,,,,,C(CO)O,
,,,EDO:E:510,invalid,,,,,C(CO)O,
,,,EDO:E:511,invalid,,,,,C(CO)O,
,,,EDO:F:505,invalid,,,,,C(CO)O,
,,,EDO:F:506,invalid,,,,,C(CO)O,
,,,EDO:F:507,invalid,,,,,C(CO)O,
,,,EDO:F:508,invalid,,,,,C(CO)O,
,,,EDO:F:509,invalid,,,,,C(CO)O,
,,,EDO:G:502,invalid,,,,,C(CO)O,
,,,EDO:G:503,invalid,,,,,C(CO)O,
,,,EDO:G:504,invalid,,,,,C(CO)O,
,,,EDO:G:505,invalid,,,,,C(CO)O,
,,,EDO:G:506,invalid,,,,,C(CO)O,
,,,EDO:G:507,invalid,,,,,C(CO)O,
,,,EDO:G:508,invalid,,,,,C(CO)O,
,,,EDO:H:507,invalid,,,,,C(CO)O,
,,,EDO:H:508,invalid,,,,,C(CO)O,
,,,EDO:H:509,invalid,,,,,C(CO)O,
,,,EDO:H:510,invalid,,,,,C(CO)O,
,,,EDO:H:511,invalid,,,,,C(CO)O,
,,,EDO:H:512,invalid,,,,,C(CO)O,
,,,EDO:H:513,invalid,,,,,C(CO)O,
,,,UD1:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:E:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:F:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:G:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:H:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3SU9,,,,,,,
,,,ACT:A:426,invalid,,,,,CC(=O)[O-],
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EPZ:A:427,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,1RYW,,,,,,,
,,,EPU:A:2450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:B:3450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:C:4450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:D:5450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:E:6450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:F:7450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:G:8450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:H:9450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,GOL:A:2471,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2472,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3471,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3472,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2473,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3473,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4471,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4472,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4474,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5471,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5472,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6471,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:8472,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:7471,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:8471,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:9471,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:9472,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:2461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:6461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:7461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:8461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:8462,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:9461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ISS,,,,,,,
,,,EPU:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:B:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:C:603,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:D:604,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:E:605,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:F:606,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:G:607,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:H:608,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:I:609,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:J:610,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:K:611,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:L:612,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,PO3:A:501,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:B:502,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:C:502,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:D:503,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:E:504,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:F:506,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:G:507,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:H:508,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:I:509,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:J:510,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:K:511,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:L:512,invalid,,,,,[O-][P-](=O)[O-],
,,3SWD,,,,,,,
,,,EPZ:A:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:B:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:C:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:D:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:E:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:F:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:G:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:H:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:I:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:J:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:K:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,EPZ:L:501,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,1UAE,,,,,,,
,,,FFQ:A:421,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,UD1:A:420,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3LTH,,,,,,,
,,,FFQ:A:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,UD1:A:450,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,3SWQ,,,,,,,
,,,ACT:A:439,invalid,,,,,CC(=O)[O-],
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,EDO:A:427,invalid,,,,,C(CO)O,
,,,EDO:A:428,invalid,,,,,C(CO)O,
,,,EDO:A:429,invalid,,,,,C(CO)O,
,,,EDO:A:430,invalid,,,,,C(CO)O,
,,,EDO:A:431,invalid,,,,,C(CO)O,
,,,EDO:A:432,invalid,,,,,C(CO)O,
,,,EDO:A:433,invalid,,,,,C(CO)O,
,,,EDO:A:434,invalid,,,,,C(CO)O,
,,,EDO:A:435,invalid,,,,,C(CO)O,
,,,EDO:A:436,invalid,,,,,C(CO)O,
,,,EDO:A:437,invalid,,,,,C(CO)O,
,,,EDO:A:438,invalid,,,,,C(CO)O,
,,,EPU:A:440,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,PEG:A:421,invalid,,,,,C(COCCO)O,
,,,PGE:A:420,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3SWG,,,,,,,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EPZ:A:518,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3VCY,,,,,,,
,,,FFQ:A:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,FFQ:B:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,FFQ:C:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,FFQ:D:500,Part of Protein,,,,,CC[C@H](O)P(=O)(O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UD1:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
2.4.1.4,,,,,,,,,
,Family. Representative Entry is ,1JG9,,,,,,,
,,,GLC:A:2000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:2002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1MW3,,,,,,,
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1MW2,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1MVY,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4FLS,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1MW0,,,,,,,
,,,DTT:A:703,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC BGC:D:1,valid,,,,,,
,,1JGI,,,,,,,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1ZS2,,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3UEQ,,,,,,,
,,,OTU:A:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,FRU GLC:B:1,valid,,,,,O(C1C(O)(CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1MW1,,,,,,,
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,5N7J,,,,,,,
,,,1PE:A:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,TRS:A:701,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PG4:A:708,invalid,,,,,C(COCCOCCOCCO)O,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3UER,,,,,,,
,,,GLC Z9N:B:1,valid,,,,,,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
9.-.-.-,,,,,,,,,
,Family. Representative Entry is ,1KP8,,,,,,,
,,,K:A:549,Part of Protein,,,,,[K+],
,,,K:B:549,Part of Protein,,,,,[K+],
,,,K:C:549,Part of Protein,,,,,[K+],
,,,K:D:1,Part of Protein,,,,,[K+],
,,,K:D:549,Part of Protein,,,,,[K+],
,,,K:E:4007,Part of Protein,,,,,[K+],
,,,K:E:549,Part of Protein,,,,,[K+],
,,,K:F:549,Part of Protein,,,,,[K+],
,,,K:G:549,Part of Protein,,,,,[K+],
,,,K:H:549,Part of Protein,,,,,[K+],
,,,K:I:549,Part of Protein,,,,,[K+],
,,,K:J:549,Part of Protein,,,,,[K+],
,,,K:K:549,Part of Protein,,,,,[K+],
,,,K:L:549,Part of Protein,,,,,[K+],
,,,K:M:549,Part of Protein,,,,,[K+],
,,,K:N:549,Part of Protein,,,,,[K+],
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,,,MG:B:550,Part of Protein,,,,,[Mg+2],
,,,MG:C:550,Part of Protein,,,,,[Mg+2],
,,,MG:D:550,Part of Protein,,,,,[Mg+2],
,,,MG:E:550,Part of Protein,,,,,[Mg+2],
,,,MG:F:550,Part of Protein,,,,,[Mg+2],
,,,MG:G:550,Part of Protein,,,,,[Mg+2],
,,,MG:H:550,Part of Protein,,,,,[Mg+2],
,,,MG:I:550,Part of Protein,,,,,[Mg+2],
,,,MG:J:550,Part of Protein,,,,,[Mg+2],
,,,MG:K:550,Part of Protein,,,,,[Mg+2],
,,,MG:L:550,Part of Protein,,,,,[Mg+2],
,,,MG:M:550,Part of Protein,,,,,[Mg+2],
,,,MG:N:550,Part of Protein,,,,,[Mg+2],
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:4005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:4006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:4017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:4018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:4019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:4020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:4021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:4022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:4013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:4014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:4015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:4016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AGS:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:G:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:H:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:I:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:J:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:K:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:L:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:M:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:N:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,1SX3,,,,,,,
,,,K:A:560,Part of Protein,,,,,[K+],
,,,K:B:560,Part of Protein,,,,,[K+],
,,,K:C:560,Part of Protein,,,,,[K+],
,,,K:D:1,Part of Protein,,,,,[K+],
,,,K:D:560,Part of Protein,,,,,[K+],
,,,K:E:527,Part of Protein,,,,,[K+],
,,,K:E:560,Part of Protein,,,,,[K+],
,,,K:F:560,Part of Protein,,,,,[K+],
,,,K:G:560,Part of Protein,,,,,[K+],
,,,K:H:560,Part of Protein,,,,,[K+],
,,,K:I:560,Part of Protein,,,,,[K+],
,,,K:J:560,Part of Protein,,,,,[K+],
,,,K:K:560,Part of Protein,,,,,[K+],
,,,K:L:560,Part of Protein,,,,,[K+],
,,,K:M:560,Part of Protein,,,,,[K+],
,,,K:N:560,Part of Protein,,,,,[K+],
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,,,MG:B:550,Part of Protein,,,,,[Mg+2],
,,,MG:C:550,Part of Protein,,,,,[Mg+2],
,,,MG:D:550,Part of Protein,,,,,[Mg+2],
,,,MG:E:550,Part of Protein,,,,,[Mg+2],
,,,MG:F:550,Part of Protein,,,,,[Mg+2],
,,,MG:G:550,Part of Protein,,,,,[Mg+2],
,,,MG:H:550,Part of Protein,,,,,[Mg+2],
,,,MG:I:550,Part of Protein,,,,,[Mg+2],
,,,MG:J:550,Part of Protein,,,,,[Mg+2],
,,,MG:K:550,Part of Protein,,,,,[Mg+2],
,,,MG:L:550,Part of Protein,,,,,[Mg+2],
,,,MG:M:550,Part of Protein,,,,,[Mg+2],
,,,MG:N:550,Part of Protein,,,,,[Mg+2],
,,,AGS:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:561,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:G:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:H:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:I:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:J:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:K:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:L:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:M:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:N:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,6U1Y,,,,,,,
,,,ANP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:G:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:G:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:E:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:D:801,Part of Protein,,,,,[Mg+2],
,,,MG:C:801,Part of Protein,,,,,[Mg+2],
,,,MG:F:801,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2XG5,,,,,,,
,,,CO:B:1175,Part of Protein,,,,,[Co+2],
,,,EC2:A:1219,valid,ic50,=,22,uM,c1ccc(cc1)[C@@H]2[C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c5cccc6)C(=O)O,
,,,EC5:A:1220,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)Cc4cccc5c4cccc5,
,,,GOL:A:1218,invalid,,,,,C(C(CO)O)O,
,,,PGO:B:1174,invalid,,,,,C[C@@H](CO)O,
,,2XG4,,,,,,,
,,,CO:B:1174,Part of Protein,,,,,[Co+2],
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,XC2:A:1218,valid,,,,,c1ccc2c(c1)cccc2CC3=C(C(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O)CN6CCOCC6,
,Family. Representative Entry is ,2GFD,,,,,,,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:505,invalid,,,,,C(COCCOCCOCCO)O,
,,,RDA:A:1001,valid,Kd,=,0.52,uM,COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O,
,,,RDA:B:1002,valid,Kd,=,0.52,uM,COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O,
,,1TC0,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:801,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:802,invalid,,,,,C(COCCOCCOCCO)O,
,,1U2O,,,,,,,
,,,1PE:B:2006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NEC:A:1001,valid,,,,,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,NEC:B:1002,valid,,,,,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PG4:A:2001,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:2002,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2008,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2009,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2011,invalid,,,,,C(COCCOCCOCCO)O,
,,1TC6,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:701,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:702,invalid,,,,,C(COCCOCCOCCO)O,
,,1U0Z,,,,,,,
,,,1PE:A:409,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,RDC:A:301,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,,RDC:B:302,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,1TBW,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:701,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:702,invalid,,,,,C(COCCOCCOCCO)O,
,,6ASQ,,,,,,,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PE8:A:406,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:405,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:405,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:406,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:404,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:409,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,VC4:A:412,valid,,,,,COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O,
,,,VC4:B:410,valid,,,,,COC(=O)c1c(cc(c(c1CCc2cccnc2Cc3ccccc3)Cl)O)O,
,,1YT0,,,,,,,
,,,ADP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:338,Part of Protein,,,,,[Mg+2],
,,,PG4:A:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:308,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:309,invalid,,,,,C(COCCOCCOCCO)O,
,,2EXL,,,,,,,
,,,1PE:A:409,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GDM:A:301,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,,GDM:B:302,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:508,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2IOR,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HEZ:A:4000,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:4001,invalid,,,,,C(CCCO)CCO,
,,,MG:A:2000,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4EZW,,,,,,,
,,,ASN ARG LEU LEU LEU THR GLY:E:1,valid,Kd,=,1,uM,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,ASN ARG LEU LEU LEU THR GLY:H:1,valid,Kd,=,1,uM,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,ASN ARG LEU LEU LEU THR GLY:F:1,valid,Kd,=,1,uM,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,ASN ARG LEU LEU LEU THR GLY:G:1,valid,Kd,=,1,uM,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EZX,,,,,,,
,,,ASN ARG LEU MET LEU THR GLY:C:1,valid,Kd,=,1.6,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])C(O)C)CC(C)C)C,
,,,ASN ARG LEU MET LEU THR GLY:D:1,valid,Kd,=,1.6,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])C(O)C)CC(C)C)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4R5I,,,,,,,
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASN ARG LEU LEU LEU THR GLY:B:1,valid,Kd,~,10,uM,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,4JWI,,,,,,,
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2:C:36,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(N)CCCNC(=[NH2+])N)CCC2)C(CC)C)CC(C)C)CC(C)C)CCC1)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N,
,,,PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2:D:36,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(N)CCCNC(=[NH2+])N)CCC2)C(CC)C)CC(C)C)CC(C)C)CCC1)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N,
,,4EZQ,,,,,,,
,,,PRO PRO ARG PRO ILE TYR ASN ARG ASN:B:12,valid,Kd,=,6.3,uM,O=C(NC(C(=O)NC(C=O)CC(=O)N)Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCCNC(=[NH2+])N)CCC1)C(CC)C,
,,4EZR,,,,,,,
,,,SER HIS PRO ARG PRO ILE ARG VAL:B:12,valid,Kd,=,6.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])CO)Cc3nc[nH]c3)CCC2)CCCNC(=[NH2+])N)CCC1)C(CC)C)CCCNC(=[NH2+])N)C(C)C,
,,4EZZ,,,,,,,
,,,GLU LEU PRO LEU VAL LYS ILE:B:1,valid,Kd,=,6.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCC1)CC(C)C)C(C)C)CCCC[NH3+])C(CC)C,
,,4F00,,,,,,,
,,,ASN ARG PRO VAL TYR ILE PRO PRO PRO PRO:B:5,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)N2C(C(=O)N3C(C(=O)[NH3+])CCC3)CCC2)CCC1)C(CC)C)Cc1ccc(O)cc1)C(NC(=O)C1[NH2+]CCC1)C(C)C,
,,1DKX,,,,,,,
,,,ASN ARG LEU LEU LEU THR GLY:B:1,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,4E81,,,,,,,
,,,ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO:C:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)[NH3+])CCC2)CCCNC(=[NH2+])N)CCC1)C(CC)C)Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C(N)CCCNC(=[NH2+])N)CCC1)C(C)C,
,,,ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO:D:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)[NH3+])CCC2)CCCNC(=[NH2+])N)CCC1)C(CC)C)Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C(N)CCCNC(=[NH2+])N)CCC1)C(C)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DKZ,,,,,,,
,,,ASN ARG LEU LEU LEU THR GLY:B:1,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,4EZT,,,,,,,
,,,PRO ARG ARG PRO VAL ILE MET ARG ARG:B:14,valid,Kd,=,7.4,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC1)C(C)C)C(CC)C)C(=O)NC(C(=O)[NH3+])CCCNC(=[NH2+])N)C,
,,4EZY,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASN ARG LEU ILE LEU THR GLY:B:1,valid,Kd,=,2.26,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)C(CC)C,
,Family. Representative Entry is ,2V7Y,,,,,,,
,,,ADP:A:1505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1507,invalid,,,,,[Mg+2],
,,,PO4:A:1506,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1G41,,,,,,,
,,,ADP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6W90,,,,,,,
,,,3PE:A:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,6CYI,,,,,,,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,N5O:A:404,valid,Kd,=,9.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCCO)O)O)N,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,1QYE,,,,,,,
,,,CDY:A:338,valid,,,,,c1nc2c(nc(nc2n1[C@H]3CC[C@H](O3)CO)Cl)N,
,,,M2M:A:339,invalid,,,,,COCCOCCOC,
,,1QY8,,,,,,,
,,,RDI:A:338,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1,
,,6D28,,,,,,,
,,,M2M:A:402,invalid,,,,,COCCOCCOC,
,,,NEC:A:401,valid,Kd,=,200,nM,CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3TW1,,,,,,,
,,,AHN:A:1,valid,,,,,CC(=O)NCCc1c[nH]cn1,
,,,AHN:A:302,valid,,,,,CC(=O)NCCc1c[nH]cn1,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4B9Q,,,,,,,
,,,ATP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP MG:A:700,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,ATP MG:C:700,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,MG:B:701,invalid,,,,,[Mg+2],
,,,MG:D:701,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4LJ9,,,,,,,
,,,MG:A:903,invalid,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ACP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4LJ6,,,,,,,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4LJ8,,,,,,,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4LJA,,,,,,,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,GAI:A:903,invalid,,,,,C(=N)(N)N,
,,,ACP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4LJ5,,,,,,,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5ZS3,,,,,,,
,,,GLY ARG LEU LEU PRO:U:1,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)CC(C)C)C(NC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(C)C,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:U:101,Part of Protein,,,,,[Na+],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5UC4,,,,,,,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:D:302,invalid,,,,,CS(=O)C,
,,,83S:B:301,valid,Kd,=,0.35,uM,CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2,
,,,83S:D:301,valid,Kd,=,0.35,uM,CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2,
,,,83S:C:301,valid,Kd,=,0.35,uM,CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2,
,,,83S:A:301,valid,Kd,=,0.35,uM,CC(C)c1cc(c(cc1C=O)O)C(=O)N2Cc3ccccc3C2,
,,6N8Y,,,,,,,
,,,KFY:A:301,valid,Kd,=,4.2,uM,C/C=C/Cn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC,
,,3NMQ,,,,,,,
,,,7PP:A:1,valid,,,,,Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O,
,,5UCJ,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:D:302,invalid,,,,,CS(=O)C,
,,,DMS:C:302,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,KU3:C:301,valid,Kd,=,0.44,uM,CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F,
,,,KU3:A:301,valid,Kd,=,0.44,uM,CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F,
,,,KU3:B:301,valid,Kd,=,0.44,uM,CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F,
,,,KU3:D:301,valid,Kd,=,0.44,uM,CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4C3)F,
,,1UYM,,,,,,,
,,,PU3:A:1224,valid,,,,,CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)OC,
,Family. Representative Entry is ,1ELR,,,,,,,
,,,ACE MET GLU GLU VAL ASP:B:0,valid,Kd,=,11,uM,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,NI:A:200,Part of Protein,,,,,[Ni+2],
,,3FWV,,,,,,,
,,,ACE MET GLU GLU VAL PHE:C:0,valid,Kd,=,2.3,uM,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccccc1)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,ACE MET GLU GLU VAL PHE:D:0,valid,Kd,=,2.3,uM,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccccc1)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,NI:A:3,Part of Protein,,,,,[Ni+2],
,,,NI:A:5,Part of Protein,,,,,[Ni+2],
,,,NI:B:2,Part of Protein,,,,,[Ni+2],
,,,NI:B:4,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4JNE,,,,,,,
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,,MG:B:1001,invalid,,,,,[Mg+2],
,,,ATP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1009,invalid,,,,,C(C(CO)O)O,
,,4JN4,,,,,,,
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,,MG:B:1001,invalid,,,,,[Mg+2],
,,,ATP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1009,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1BGQ,,,,,,,
,,,RDC:A:300,valid,Kd,=,2.7,nM,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,2BRC,,,,,,,
,,,CT5:A:1215,valid,ic50,=,7.1,uM,CCc1cc(c(cc1O)O)c2c(c(n[nH]2)C)c3ccc4c(c3)OCCO4,
,,4CE3,,,,,,,
,,,L4V:A:1215,valid,,,,,CN1CCC/C=CCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O,
,,2VW5,,,,,,,
,,,BC6:A:500,valid,Kd,=,3,nM,C[C@H]1CCC=C(C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](C=C([C@@H]1OC(=O)N)/C)C)O)OC)C)/C,
,,,BC6:B:500,valid,Kd,=,3,nM,C[C@H]1CCC=C(C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](C=C([C@@H]1OC(=O)N)/C)C)O)OC)C)/C,
,,,BC6:C:500,valid,Kd,=,3,nM,C[C@H]1CCC=C(C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](C=C([C@@H]1OC(=O)N)/C)C)O)OC)C)/C,
,,,BC6:D:500,valid,Kd,=,3,nM,C[C@H]1CCC=C(C(=O)Nc2cc(cc(c2)O)C[C@H](C[C@@H]([C@@H]([C@H](C=C([C@@H]1OC(=O)N)/C)C)O)OC)C)/C,
,,,SO4:A:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ASA,,,,,,,
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,59C:A:1215,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@@H](C=C([C@H]([C@H](/C=C/C=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)NCC=C)C)C)OC)OC(=O)N)C)C)O)OC,
,,2XX2,,,,,,,
,,,13C:A:1215,valid,,,,,c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O,
,,,13C:B:1215,valid,,,,,c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O,
,,,13C:C:1215,valid,,,,,c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O,
,,,13C:D:1215,valid,,,,,c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCNC2=O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1217,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1218,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1216,invalid,,,,,C(C(CO)O)O,
,,2WEP,,,,,,,
,,,ADP:A:1215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2WER,,,,,,,
,,,RDC:A:1215,valid,Kd,=,90,nM,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,,RDC:B:1215,valid,Kd,=,90,nM,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,2YGA,,,,,,,
,,,GDM:A:1215,valid,Kd,=,24.5,uM,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,2FXS,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,RDA:A:1001,valid,Kd,=,0.87,uM,COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O,
,,2XX4,,,,,,,
,,,13I:A:1215,valid,,,,,CCO[C@H]([C@H]1CCCC=CCCNC(=O)c2c(cc(c(c2CC1=O)Cl)O)O)O,
,,1AM1,,,,,,,
,,,ADP:A:300,valid,Kd,=,132,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2XD6,,,,,,,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1217,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1218,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1219,invalid,,,,,C(C(CO)O)O,
,,,XD6:A:1215,valid,ic50,=,0.65,uM,c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O,
,,2CGF,,,,,,,
,,,P2N:A:1214,valid,Kd,=,0.39,uM,c1c(c2c(c(c1O)Cl)CC(=O)CCCCC=CCCOC2=O)O,
,,1AMW,,,,,,,
,,,ADP:A:300,valid,Kd,=,29,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4ASG,,,,,,,
,,,NI:A:1217,invalid,,,,,[Ni+2],
,,,NI:A:1218,Part of Protein,,,,,[Ni+2],
,,,NI:A:1216,Part of Protein,,,,,[Ni+2],
,,,814:A:1215,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@@H](C=C(C([C@H](/C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)c3ccccc3)/C)OC)OC(=O)N)C)C)O)OC,
,,1A4H,,,,,,,
,,,GDM:A:300,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,4CE2,,,,,,,
,,,BO5:A:1215,valid,,,,,CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O,
,,2BRE,,,,,,,
,,,KJ2:A:1214,valid,ic50,<,1,uM,c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN,
,,,KJ2:B:1220,valid,ic50,<,1,uM,c1cc(ccc1c2cn[nH]c2c3cc(c(cc3O)O)Cl)OCCCN,
,,2IWX,,,,,,,
,,,M1S:A:1215,valid,Kd,=,0.21,uM,c1c(c2c(c(c1O)Cl)CC(=O)CCCCCC=CCCOC2=O)O,
,,2XX5,,,,,,,
,,,13N:A:1215,valid,,,,,c1ccc(cc1)CNC(=O)[C@@H]2CCCC=CCCNC(=O)c3c(cc(c(c3CC2=O)Cl)O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,2YGF,,,,,,,
,,,GDM:A:1215,valid,Kd,~,10,uM,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,2VWC,,,,,,,
,,,BC2:A:1215,valid,Kd,=,0.24,uM,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)C)C)OC(=O)N)/C)C)OC)OC,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,4CE1,,,,,,,
,,,7FK:A:1215,valid,,,,,CN1CC/C=C/CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=O,
,,2WEQ,,,,,,,
,,,GDM:A:1215,valid,Kd,=,1.27,uM,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1217,invalid,,,,,C(C(CO)O)O,
,,2YGE,,,,,,,
,,,GDM:A:1215,valid,Kd,=,8.62,uM,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5OBY,,,,,,,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,5OBW,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:409,invalid,,,,,C(#N)[S-],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3RUV,,,,,,,
,,,ANP:A:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:544,Part of Protein,,,,,[Mg+2],
,,,MG:A:549,Part of Protein,,,,,[Mg+2],
,,,MG:B:544,Part of Protein,,,,,[Mg+2],
,,,MG:B:549,Part of Protein,,,,,[Mg+2],
,,,MG:C:544,Part of Protein,,,,,[Mg+2],
,,,MG:C:549,Part of Protein,,,,,[Mg+2],
,,,MG:D:544,Part of Protein,,,,,[Mg+2],
,,,MG:D:549,Part of Protein,,,,,[Mg+2],
,,,SO4:A:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RUS,,,,,,,
,,,ADP:A:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:545,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:544,Part of Protein,,,,,[Mg+2],
,,,MG:B:544,Part of Protein,,,,,[Mg+2],
,,,MG:C:544,Part of Protein,,,,,[Mg+2],
,,,MG:D:544,Part of Protein,,,,,[Mg+2],
,,,SO4:A:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5OBU,,,,,,,
,,,ANP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SCN:A:603,invalid,,,,,C(#N)[S-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,5OBV,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1ELW,,,,,,,
,,,GLY PRO THR ILE GLU GLU VAL ASP:C:5,valid,Kd,=,16,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,,,GLY PRO THR ILE GLU GLU VAL ASP:D:5,valid,Kd,=,16,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:404,Part of Protein,,,,,[Ni+2],
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,4HSE,,,,,,,
,,,ADP:A:602,valid,Kd,=,13.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,GAI:A:601,invalid,,,,,C(=N)(N)N,
,Family. Representative Entry is ,1U00,,,,,,,
,,,GLU LEU PRO PRO VAL LYS ILE HIS CYS:P:98,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCC2)CCC1)C(C)C)CCCC[NH3+])C(CC)C)Cc1nc[nH]c1)C=O,
,Family. Representative Entry is ,4PO2,,,,,,,
,,,ASN ARG LEU LEU LEU THR GLY:D:1,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,ASN ARG LEU LEU LEU THR GLY:C:1,valid,,,,,O=C(NCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CC(C)C)C(O)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4FCW,,,,,,,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.5.4.4,,,,,,,,,
,Family. Representative Entry is ,3EWC,,,,,,,
,,,MCF:A:373,valid,Ki,=,20,nM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O,
,,,ZN:A:372,Part of Protein,,,,,[Zn+2],
,,2QVN,,,,,,,
,,,GMP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,NHE:A:600,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,2PGF,,,,,,,
,,,ADN:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CCN:A:601,invalid,,,,,CC#N,
,,,CCN:A:602,invalid,,,,,CC#N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3EWD,,,,,,,
,,,MCF:A:372,valid,Ki,=,4100,nM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O,
,,,ZN:A:371,Part of Protein,,,,,[Zn+2],
,,2PGR,,,,,,,
,,,CCN:A:601,invalid,,,,,CC#N,
,,,CCN:A:602,invalid,,,,,CC#N,
,,,DCF:A:501,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC[C@H]2O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3LGG,,,,,,,
,,,CFE:A:513,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O,
,,,CFE:B:513,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC[C@H]2O,
,,,NAG:A:509,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:B:512,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6II7,,,,,,,
,,,NOS:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,HPA:A:402,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,Family. Representative Entry is ,1O5R,,,,,,,
,,,FR9:A:1001,valid,Ki,=,7.5,nM,c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1KRM,,,,,,,
,,,PRH:A:401,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,1QXL,,,,,,,
,,,FR8:A:1001,valid,Ki,=,11,nM,c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1UML,,,,,,,
,,,FR4:A:1001,valid,Ki,=,30,nM,c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,2E1W,,,,,,,
,,,FR6:A:1,valid,Ki,=,11,nM,C[C@@H]([C@@H](CCc1cccc2c1cccc2)n3cc(nc3)C(=O)N)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1WXY,,,,,,,
,,,FRK:A:401,valid,,,,,CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(cc3)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1NDV,,,,,,,
,,,FR0:A:1001,valid,Ki,=,1.2,uM,c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4csc(n4)N=C(N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1NDY,,,,,,,
,,,FR3:A:1001,valid,Ki,=,0.68,uM,c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1NDW,,,,,,,
,,,FR2:A:1001,valid,Ki,=,5.9,uM,c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1V79,,,,,,,
,,,FR7:A:1001,valid,Ki,=,13,nM,C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1V7A,,,,,,,
,,,FRC:A:1001,valid,Ki,=,9.8,nM,C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1NDZ,,,,,,,
,,,FR5:A:1001,valid,Ki,=,7.7,nM,Cn1c2ccccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](CO)n5cc(nc5)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2ADA,,,,,,,
,,,HPR:A:353,valid,Ki,~,0.1,pM,c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1FKW,,,,,,,
,,,PUR:A:353,valid,Ki,=,9,uM,c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1UIO,,,,,,,
,,,HPR:A:353,valid,Ki,=,45,uM,c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1ADD,,,,,,,
,,,1DA:A:353,valid,Ki,=,0.18,uM,c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1UIP,,,,,,,
,,,PUR:A:353,valid,,,,,c1c2c(ncn1)n(c[nH+]2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1A4M,,,,,,,
,,,PRH:A:354,valid,Ki,~,0.1,pM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,PRH:B:854,valid,Ki,~,0.1,pM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,PRH:C:1354,valid,Ki,~,0.1,pM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,PRH:D:1854,valid,Ki,~,0.1,pM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1400,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1900,Part of Protein,,,,,[Zn+2],
,,1FKX,,,,,,,
,,,PRH:A:353,valid,Ki,=,6,mM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CN[C@H]2O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
2.3.1.234,,,,,,,,,
,Family. Representative Entry is ,6N9A,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,AE3:B:302,invalid,,,,,CCOCCOCCO,
,,,ADP:D:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,KG4:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)O)O)O)N,
1.6.99.2,,,,,,,,,
,Family. Representative Entry is ,3JSX,,,,,,,
,,,CC2:A:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:B:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:C:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:D:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:E:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:F:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:G:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,CC2:H:547,valid,ic50,=,7.7,nM,Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1QBG,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1KBO,,,,,,,
,,,340:A:703,valid,,,,,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3,
,,,340:B:704,valid,,,,,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3,
,,,340:C:701,valid,,,,,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3,
,,,340:D:702,valid,,,,,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccccc3,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1KBQ,,,,,,,
,,,936:A:703,valid,Ki,=,0.45,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-],
,,,936:B:704,valid,Ki,=,0.45,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-],
,,,936:C:701,valid,Ki,=,0.45,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-],
,,,936:D:702,valid,Ki,=,0.45,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)OC)COc3ccc(cc3)[N+](=O)[O-],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1H66,,,,,,,
,,,FAD:A:1275,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1275,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1275,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1275,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,RH1:A:1274,valid,,,,,CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3,
,,,RH1:B:1274,valid,,,,,CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3,
,,,RH1:C:1274,valid,,,,,CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3,
,,,RH1:D:1274,valid,,,,,CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3,
,,4CET,,,,,,,
,,,DTC:A:1226,invalid,,,,,c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O,
,,,FAD:A:1225,valid,Kd,=,428,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6LLC,,,,,,,
,,,FAD:L:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:2301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EHL:L:301,invalid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:E:2302,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:A:2302,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:J:301,invalid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:I:2302,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:D:301,invalid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:H:301,invalid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,EHL:B:2302,invalid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)Nc3ncc(s3)[N+](=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H69,,,,,,,
,,,ARH:A:1275,valid,,,,,C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O,
,,,ARH:B:1275,valid,,,,,C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O,
,,,ARH:C:1275,valid,,,,,C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O,
,,,ARH:D:1275,valid,,,,,C[C@@H]1C[N@@]1C2=CC(=O)c3c(c(c(n3C)c4ccccc4)CO)C2=O,
,,,FAD:A:1274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1D4A,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1GG5,,,,,,,
,,,E09:A:703,valid,,,,,Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO,
,,,E09:B:704,valid,,,,,Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO,
,,,E09:C:701,valid,,,,,Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO,
,,,E09:D:702,valid,,,,,Cn1c(c(c2c1C(=O)C=C(C2=O)N3CC3)CO)CCCO,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5EA2,,,,,,,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5A4K,,,,,,,
,,,FAD:B:1274,valid,Kd,=,155,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1274,valid,Kd,=,155,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1274,valid,Kd,=,155,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1274,valid,Kd,=,155,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,BTB:D:1275,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:1275,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,1DXO,,,,,,,
,,,DQN:A:302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,DQN:B:302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,DQN:C:302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,DQN:D:302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1QRD,,,,,,,
,,,CBD:A:275,invalid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O,
,,,CBD:B:275,invalid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O,
,,,DQN:A:276,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,DQN:B:276,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)C)C,
,,,FAD:A:274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:274,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
5.3.3.2,,,,,,,,,
,Family. Representative Entry is ,2ZRU,,,,,,,
,,,FMN:A:669,valid,Kd,=,467,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:669,valid,Kd,=,467,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:669,valid,Kd,=,467,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:669,valid,Kd,=,467,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2ZRV,,,,,,,
,,,FNR:A:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B05,,,,,,,
,,,FNR:A:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IPE:A:701,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:701,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:C:701,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:D:701,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:C:1001,Part of Protein,,,,,[Mg+2],
,,,MG:D:1001,Part of Protein,,,,,[Mg+2],
,,3B06,,,,,,,
,,,DMA:A:701,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:701,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:C:701,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:D:701,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,FNR:A:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:669,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:C:1001,Part of Protein,,,,,[Mg+2],
,,,MG:D:1001,Part of Protein,,,,,[Mg+2],
,,2ZRW,,,,,,,
,,,IPR:A:701,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:B:701,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:C:701,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:D:701,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,FMN:A:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,3VKJ,,,,,,,
,,,FNR:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B04,,,,,,,
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,OOP:A:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,OOP:C:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,OOP:D:669,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@]3(N2)[C@H](CO)C(=C)CCO[P@](=O)(O)OP(=O)(O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,OOP MG:B:669,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCC(C(CO)C12C(=O)NC(=O)N=C1N(CC(O)C(O)C(O)COP(=O)([O-])[O-])c1c(N2)cc(C)c(C)c1)=C)[O-].[Mg+2],
,,3B03,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:C:1001,Part of Protein,,,,,[Mg+2],
,,,MG:D:1001,Part of Protein,,,,,[Mg+2],
,,,VNR:A:669,valid,,,,,C/C=C(CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,VNR:B:669,valid,,,,,C/C=C(CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,VNR:C:669,valid,,,,,C/C=C(CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,VNR:D:669,valid,,,,,C/C=C(CCO[P@](=O)(O)OP(=O)(O)O)/C[C@]12C(=O)NC(=O)N=C1N(c3cc(c(cc3N2)C)C)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1NFS,,,,,,,
,,,DED:A:301,valid,Kd,<,0.12,nM,CN(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,DED:B:302,valid,Kd,<,0.12,nM,CN(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,2VNP,,,,,,,
,,,DED:A:1182,valid,Ki,=,0.12,nM,CN(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,DED:B:1186,valid,Ki,=,0.12,nM,CN(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1181,Part of Protein,,,,,[Mg+2],
,,,MG:B:1185,Part of Protein,,,,,[Mg+2],
,,,MN:A:1180,Part of Protein,,,,,[Mn+2],
,,,MN:B:1184,Part of Protein,,,,,[Mn+2],
,,1Q54,,,,,,,
,,,BHI:A:301,valid,Ki,=,1.4,uM,C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O,
,,,BHI:B:302,valid,Ki,=,1.4,uM,C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,1PPW,,,,,,,
,,,EIP:A:301,valid,ic50,~,50,uM,C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO,
,,,EIP:B:301,valid,ic50,~,50,uM,C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2ICK,,,,,,,
,,,DMA:A:301,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,MN:A:229,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4N02,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FNR:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
4.1.1.8,,,,,,,,,
,Family. Representative Entry is ,2Q28,,,,,,,
,,,ADP:A:4003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:5003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3003,invalid,,,,,C(CO)O,
,,,EDO:B:3002,invalid,,,,,C(CO)O,
,,,EDO:B:3004,invalid,,,,,C(CO)O,
,,,MES:A:4004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:5004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:4001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:5001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2Q29,,,,,,,
,,,ACO:A:2003,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:3003,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MES:A:4002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:4001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,TPP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:3001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2Q27,,,,,,,
,,,EDO:A:5002,invalid,,,,,C(CO)O,
,,,EDO:B:5001,invalid,,,,,C(CO)O,
,,,MES:A:6001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:6002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:3001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:4001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,2C31,,,,,,,
,,,ADP:A:1555,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1555,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1553,Part of Protein,,,,,[Mg+2],
,,,MG:B:1553,Part of Protein,,,,,[Mg+2],
,,,TZD:A:1554,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,TZD:B:1554,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,2JI7,,,,,,,
,,,ADP:A:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B3P:A:1570,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:1571,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:1572,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:1570,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:1571,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:1572,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,MG:A:1567,Part of Protein,,,,,[Mg+2],
,,,MG:B:1567,Part of Protein,,,,,[Mg+2],
,,,OXT:A:1566,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,OXT:B:1566,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,PGE:A:1569,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1569,invalid,,,,,C(COCCOCCO)O,
,,2JI9,,,,,,,
,,,ADP:A:1556,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1556,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B3P:A:1557,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:1557,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,MG:A:1555,Part of Protein,,,,,[Mg+2],
,,,MG:B:1555,Part of Protein,,,,,[Mg+2],
,,,TPW:A:1554,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:B:1554,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,2JI6,,,,,,,
,,,ADP:A:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B3P:A:1571,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:1571,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,MG:A:1567,Part of Protein,,,,,[Mg+2],
,,,MG:B:1567,Part of Protein,,,,,[Mg+2],
,,,OXK:A:1569,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O,
,,,OXK:B:1569,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)O)O,
,,,PGE:A:1570,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1570,invalid,,,,,C(COCCOCCO)O,
,,,TPW:A:1566,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,,TPW:B:1566,valid,,,,,Cc1c(csc1CCO[P@@](=O)(O)OP(=O)(O)O)Cc2cnc(nc2N)C,
,,2JIB,,,,,,,
,,,ADP:A:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:1569,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1569,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:1567,Part of Protein,,,,,[Mg+2],
,,,MG:B:1567,Part of Protein,,,,,[Mg+2],
,,,PGE:A:1570,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1570,invalid,,,,,C(COCCOCCO)O,
,,,TPP:A:1566,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1566,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2JI8,,,,,,,
,,,ADP:A:1568,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1565,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FYN:A:1569,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O,
,,,FYN:B:1566,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O,
,,,MG:A:1567,Part of Protein,,,,,[Mg+2],
,,,MG:B:1564,Part of Protein,,,,,[Mg+2],
,,,PGE:A:1570,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1567,invalid,,,,,C(COCCOCCO)O,
,,,TPP:A:1566,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1563,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
1.14.19.8,,,,,,,,,
,Family. Representative Entry is ,5L1O,,,,,,,
,,,7PF:A:401,valid,Kd,=,7.2,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1T,,,,,,,
,,,7PF:A:401,valid,Kd,=,115,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1W,,,,,,,
,,,7PF:A:401,valid,Kd,=,31,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1U,,,,,,,
,,,7PF:A:401,valid,Kd,=,340,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1S,,,,,,,
,,,7PF:A:401,valid,Kd,=,160,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1V,,,,,,,
,,,7PF:A:401,valid,Kd,=,43,uM,CC1(C[C@H]2C=C([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1Q,,,,,,,
,,,7DF:A:502,valid,Kd,=,170,uM,CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L1P,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7PT:A:502,valid,,,,,C[C@H]1[C@H]2C=C([C@H]3[C@]2(C=C1C)[C@@]4(CO4)C(=O)OC3)C(=O)O,
2.7.4.8,,,,,,,,,
,Family. Representative Entry is ,1EX7,,,,,,,
,,,5GP:A:187,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GKY,,,,,,,
,,,5GP:A:187,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2F3R,,,,,,,
,,,G5P:A:601,valid,ic50,=,0.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:B:602,valid,ic50,=,0.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,2AN9,,,,,,,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GMP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:1602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:1603,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1LVG,,,,,,,
,,,5GP:A:1202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ADP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:1203,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1ZNY,,,,,,,
,,,GDP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1ZNX,,,,,,,
,,,5GP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1ZNZ,,,,,,,
,,,GDP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4QRH,,,,,,,
,,,K:C:302,Part of Protein,,,,,[K+],
,,,K:D:302,Part of Protein,,,,,[K+],
,,,K:B:302,Part of Protein,,,,,[K+],
,,,0O2:C:304,valid,Ki,=,7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,0O2:D:306,valid,Ki,=,7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,0O2:B:303,valid,Ki,=,7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:C:301,invalid,,,,,[Mg+2],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2J41,,,,,,,
,,,5GP:B:1208,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:1210,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:B:1207,Part of Protein,,,,,[K+],
,,,K:C:1199,Part of Protein,,,,,[K+],
,,,K:D:1209,Part of Protein,,,,,[K+],
,,,SO4:A:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.4.1,,,,,,,,,
,Family. Representative Entry is ,5LLB,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:D:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,6YZ:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N,
,,,6YZ:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N,
,,,6YZ:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N,
,,,6YZ:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(CP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)N,
,,,6YW:D:304,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,6YW:A:304,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,6YW:C:304,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,6YW:B:304,invalid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
5.5.1.13,,,,,,,,,
,Family. Representative Entry is ,4LIX,,,,,,,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AG8:A:901,valid,,,,,C/C(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)/CCCN(C)C,
3.4.22.51,,,,,,,,,
,Family. Representative Entry is ,1U9Q,,,,,,,
,,,186:X:300,valid,Ki,=,1102.9,nM,C[C@@H](C=CC(=O)C=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2,
,,3KKU,,,,,,,
,,,B95:A:216,valid,Ki,=,2,uM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)COc3ccccc3Br,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,Z22:A:217,invalid,,,,,CSS(=O)(=O)C,
2.1.1.207,,,,,,,,,
,Family. Representative Entry is ,4JAL,,,,,,,
,,,SAH:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EPE:A:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
1.1.1.213,,,,,,,,,
,Family. Representative Entry is ,3NTY,,,,,,,
,,,5P3:A:350,valid,Ki,=,0.86,nM,c1ccc(cc1)c2cc(c(c(c2)Cl)O)C(=O)O,
,,,NAP:A:351,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:324,Part of Protein,,,,,[Zn+2],
,,1XJB,,,,,,,
,,,ACT:A:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:5002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:6002,invalid,,,,,CC(=O)[O-],
,,,BME:A:1005,invalid,,,,,C(CS)O,
,,,CIT:A:1006,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:5003,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,NAP:A:1001,valid,Kd,=,0.88,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:5001,valid,Kd,=,0.88,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HDJ,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L1W,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,STR:B:402,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:A:402,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L1X,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,STR:B:402,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:A:402,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J96,,,,,,,
,,,ACT:A:905,invalid,,,,,CC(=O)[O-],
,,,ACT:B:906,invalid,,,,,CC(=O)[O-],
,,,NAP:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TES:A:903,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,TES:B:904,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,4XO7,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ASD:A:402,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,ASD:B:402,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,4XO6,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,5SD:A:402,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,AOX:B:402,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,1MRQ,,,,,,,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,STR:A:501,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,3C3U,,,,,,,
,,,C2U:A:351,valid,Ki,=,5.9,nM,c1c(cc(c(c1C(=O)O)O)Cl)Cl,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:324,Part of Protein,,,,,[Zn+2],
,,2IPJ,,,,,,,
,,,BME:A:326,invalid,,,,,C(CS)O,
,,,BME:A:327,invalid,,,,,C(CS)O,
,,,BME:B:327,invalid,,,,,C(CS)O,
,,,EDO:A:328,invalid,,,,,C(CO)O,
,,,EDO:A:329,invalid,,,,,C(CO)O,
,,,EDO:A:330,invalid,,,,,C(CO)O,
,,,EDO:B:328,invalid,,,,,C(CO)O,
,,,EDO:B:329,invalid,,,,,C(CO)O,
,,,EDO:B:330,invalid,,,,,C(CO)O,
,,,EDO:B:331,invalid,,,,,C(CO)O,
,,,FFA:A:325,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,FFA:B:326,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:325,invalid,,,,,[O-]S(=O)(=O)[O-],
4.2.1.22,,,,,,,,,
,Family. Representative Entry is ,4UUU,,,,,,,
,,,EDO:B:1552,invalid,,,,,C(CO)O,
,,,EDO:A:1552,invalid,,,,,C(CO)O,
,,,EDO:B:1553,invalid,,,,,C(CO)O,
,,,EDO:A:1548,invalid,,,,,C(CO)O,
,,,EDO:A:1549,invalid,,,,,C(CO)O,
,,,EDO:A:1551,invalid,,,,,C(CO)O,
,,,EDO:A:1550,invalid,,,,,C(CO)O,
,,,EDO:B:1549,invalid,,,,,C(CO)O,
,,,EDO:A:1553,invalid,,,,,C(CO)O,
,,,EDO:B:1551,invalid,,,,,C(CO)O,
,,,EDO:A:1547,invalid,,,,,C(CO)O,
,,,EDO:B:1550,invalid,,,,,C(CO)O,
,,,SAM:A:1546,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1548,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3PC3,,,,,,,
,,,HEM:A:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P1T:A:702,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,3PC4,,,,,,,
,,,HEM:A:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KOU:A:702,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(CO)C(=O)O)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5B3A,,,,,,,
,,,0JO:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,MPD:B:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5B36,,,,,,,
,,,CYS:B:402,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:402,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6C2Z,,,,,,,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,PGE:A:507,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,P1T:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,6C4P,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,6C2Q,,,,,,,
,,,PGE:A:507,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:508,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EVM:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C-](CO)C(=O)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NA:A:503,Part of Protein,,,,,[Na+],
1.6.3.5,,,,,,,,,
,Family. Representative Entry is ,4ZCC,,,,,,,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAI:D:402,valid,Kd,=,81,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:402,valid,Kd,=,81,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:402,valid,Kd,=,81,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:402,valid,Kd,=,81,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,FMT:D:403,invalid,,,,,C(=O)O,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:C:403,invalid,,,,,C(=O)O,
,,5KRQ,,,,,,,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4ZCD,,,,,,,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.2.1.28,,,,,,,,,
,Family. Representative Entry is ,5YRV,,,,,,,
,,,CL:J:606,invalid,,,,,[Cl-],
,,,CL:F:201,invalid,,,,,[Cl-],
,,,CL:D:606,invalid,,,,,[Cl-],
,,,CL:I:201,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:D:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:J:605,invalid,,,,,[Cl-],
,,,CL:G:607,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:G:606,invalid,,,,,[Cl-],
,,,CL:L:201,invalid,,,,,[Cl-],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:G:602,Part of Protein,,,,,[K+],
,,,K:J:603,Part of Protein,,,,,[K+],
,,,K:J:602,Part of Protein,,,,,[K+],
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:G:603,Part of Protein,,,,,[K+],
,,,PGO:A:604,invalid,,,,,C[C@@H](CO)O,
,,,PGO:G:604,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:604,invalid,,,,,C[C@@H](CO)O,
,,,CA:J:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:G:601,Part of Protein,,,,,[Ca+2],
,,,5AD:D:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:J:604,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:G:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:K:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:E:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:H:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,5YRT,,,,,,,
,,,CL:D:605,invalid,,,,,[Cl-],
,,,CL:J:606,invalid,,,,,[Cl-],
,,,CL:F:201,invalid,,,,,[Cl-],
,,,CL:D:606,invalid,,,,,[Cl-],
,,,CL:I:201,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:G:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:J:605,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:G:606,invalid,,,,,[Cl-],
,,,CL:L:201,invalid,,,,,[Cl-],
,,,5AD:G:604,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:D:604,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:J:604,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:604,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:G:602,Part of Protein,,,,,[K+],
,,,K:J:603,Part of Protein,,,,,[K+],
,,,K:J:602,Part of Protein,,,,,[K+],
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:G:603,Part of Protein,,,,,[K+],
,,,CA:J:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:G:601,Part of Protein,,,,,[Ca+2],
,,,B12:K:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:E:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:H:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,5YSH,,,,,,,
,,,K:J:603,Part of Protein,,,,,[K+],
,,,K:J:602,Part of Protein,,,,,[K+],
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:G:603,Part of Protein,,,,,[K+],
,,,K:G:602,Part of Protein,,,,,[K+],
,,,5AD:J:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:D:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:G:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:605,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:J:601,Part of Protein,,,,,[Ca+2],
,,,CA:G:601,Part of Protein,,,,,[Ca+2],
,,,B12:K:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:E:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:H:1601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,PGO:A:604,invalid,,,,,C[C@@H](CO)O,
,,,PGO:J:604,invalid,,,,,C[C@@H](CO)O,
,,,PGO:G:604,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:604,invalid,,,,,C[C@@H](CO)O,
4.1.3.27,,,,,,,,,
,Family. Representative Entry is ,3R75,,,,,,,
,,,BEZ:A:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:644,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:702,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:702,valid,,,,,CC(=O)C(=O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,,ZN:B:950,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5CWA,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNL:A:606,invalid,,,,,NULL,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,0GA:A:604,valid,ic50,=,17,uM,C/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,Family. Representative Entry is ,1I1Q,,,,,,,
,,,TRP:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1I7Q,,,,,,,
,,,BEZ:A:1501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:1502,valid,,,,,c1ccc(cc1)C(=O)O,
,,,MG:A:1701,Part of Protein,,,,,[Mg+2],
,,,MG:C:1702,Part of Protein,,,,,[Mg+2],
,,,PYR:A:1601,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1602,valid,,,,,CC(=O)C(=O)O,
,,1I7S,,,,,,,
,,,TRP:A:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
1.4.1.2,,,,,,,,,
,Family. Representative Entry is ,1BGV,,,,,,,
,,,GLU:A:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
5.1.3.14,,,,,,,,,
,Family. Representative Entry is ,5ENZ,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:405,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1F6D,,,,,,,
,,,CL:A:1379,invalid,,,,,[Cl-],
,,,CL:B:2379,invalid,,,,,[Cl-],
,,,CL:C:3379,invalid,,,,,[Cl-],
,,,CL:D:4379,invalid,,,,,[Cl-],
,,,NA:A:1378,Part of Protein,,,,,[Na+],
,,,NA:B:2378,Part of Protein,,,,,[Na+],
,,,NA:C:3378,Part of Protein,,,,,[Na+],
,,,NA:D:4378,Part of Protein,,,,,[Na+],
,,,UDP:A:1377,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2377,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:3377,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:4377,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3BEO,,,,,,,
,,,UD1:A:372,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:372,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UDP:A:1081,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1081,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6VLC,,,,,,,
,,,UD1:C:400,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:400,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1VGV,,,,,,,
,,,UD1:B:385,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:385,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,4NES,,,,,,,
,,,UD1:A:400,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
4.1.99.11,,,,,,,,,
,Family. Representative Entry is ,5BWD,,,,,,,
,,,PGE:A:906,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:905,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:908,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:903,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:904,invalid,,,,,C(COCCOCCO)O,
,,,FUM:A:901,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,TRS:A:902,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PG4:A:907,invalid,,,,,C(COCCOCCOCCO)O,
3.4.23.23,,,,,,,,,
,Family. Representative Entry is ,4ER2,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:1,valid,Ki,=,0.5,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,SO4:E:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:930,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E81,,,,,,,
,,,M91:E:400,valid,,,,,CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](CN2C=CC=CC2=O)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N,
,,4ZEA,,,,,,,
,,,ACT:A:418,invalid,,,,,CC(=O)[O-],
,,,ACT:A:415,invalid,,,,,CC(=O)[O-],
,,,ACT:A:416,invalid,,,,,CC(=O)[O-],
,,,ACT:A:417,invalid,,,,,CC(=O)[O-],
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,IMI:A:419,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,3ER3,,,,,,,
,,,0EL:E:327,valid,Ki,=,81,nM,NULL,
,,4Y4D,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,CFF:A:411,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,5LWT,,,,,,,
,,,TFA:A:411,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,7B3:A:410,valid,,,,,Cc1c2cnnc(c2c(n1C)C)OC,
,,,7B3:A:409,valid,,,,,Cc1c2cnnc(c2c(n1C)C)OC,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,1EPM,,,,,,,
,,,SO4:E:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THR PHE GLN ALA PSA LEU ARG GLU:I:5,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])CCCNC(=[NH2+])N)CC(C)C)Cc1ccccc1)C)CCC(=O)N)Cc1ccccc1)C([NH3+])C(O)C,
,,1EED,,,,,,,
,,,0EO:P:327,valid,Ki,=,16.2,uM,CC(C)C[C@@H](C(=O)O)NC(=O)C[C@@H]([C@H](CC1CCCCC1)NC(=O)CC[C@@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O,
,,3PMY,,,,,,,
,,,41L:A:2001,valid,,,,,c1ccc(cc1)CC(=O)Nn2cnc3c2cccc3,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,1OEX,,,,,,,
,,,BOC HIS PRO PHE ALA LOV ILE HIS:B:400,valid,,,,,O=C(OC(C)(C)C)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc2nc[nH]c2)C(CC)C)C(C)C)CC(C)C)C)Cc2ccccc2)CCC1)Cc1nc[nH]c1,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ER4,,,,,,,
,,,PRO HIS PRO PHE HIS LAV ILE HIS LYS:I:1,valid,Ki,=,160,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C([NH2+]CC(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2[NH2+]CCC2)Cc2nc[nH]c2)CCC1)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)C(C)C)C(CC)C)Cc1nc[nH]c1,
,,4LBT,,,,,,,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,1TZ:A:403,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,,1TZ:A:402,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,,1TZ:A:404,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,3PWW,,,,,,,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,ROC:A:1001,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,4Y38,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:413,invalid,,,,,CS(=O)C,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,,DMS:A:414,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,0A9:A:411,valid,Kd,=,4,mM,COC(=O)[C@H](Cc1ccccc1)N,
,,2JJJ,,,,,,,
,,,0QS:A:331,valid,,,,,CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GVV,,,,,,,
,,,0GM:A:402,valid,,,,,CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PMU,,,,,,,
,,,F7L:A:2001,valid,,,,,c1ccc(c(c1)COC[C@H](CN2CCCC2)O)F,
,,5OJE,,,,,,,
,,,VSK:A:401,valid,Ki,=,6.1,uM,Cc1cc(c(c(c1)C)CCNC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,1GVT,,,,,,,
,,,2ZS:A:400,valid,,,,,CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EPR,,,,,,,
,,,0QS:E:331,valid,,,,,CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O,
,,5MB5,,,,,,,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:334,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:335,invalid,,,,,CC(=O)[O-],
,,,46P:A:336,valid,,,,,Cc1c(sc(n1)N)c2nccn2C,
,,,DMS:A:332,invalid,,,,,CS(=O)C,
,,,DMS:A:331,invalid,,,,,CS(=O)C,
,,5MB7,,,,,,,
,,,4AV:A:332,valid,,,,,CNCc1cc(ccc1Cl)[N+](=O)[O-],
,,,GOL:A:331,invalid,,,,,C(C(CO)O)O,
,,4Y4G,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,GGB:A:411,valid,,,,,[H]/N=C(N)/NOCC[C@@H](C(=O)O)N,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,3ER5,,,,,,,
,,,PRO HIS PRO PHE HIS STA VAL ILE HIS LYS:I:1,valid,Ki,=,1,nM,O=C(NC(C=O)C(CC)C)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)C(C)C,
,,3URL,,,,,,,
,,,HIS SER LEU PHE HIS PUK THR PRO:B:401,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C[NH2+]C(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)Cc1ccccc1)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccccc1)CC(C)C)CO)C([NH3+])Cc1nc[nH]c1,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PCZ,,,,,,,
,,,BAM:A:1001,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:2001,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:3001,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,DMS:A:4001,invalid,,,,,CS(=O)C,
,,2V00,,,,,,,
,,,ACT:A:1334,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1335,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1331,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1333,invalid,,,,,C(C(CO)O)O,
,,,V15:A:1336,valid,Kd,=,0.22,mM,c1ccc(cc1)CCC2=CC(=O)NC(=N2)N,
,,5LWR,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,7B2:A:401,valid,,,,,Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C,
,,3PLL,,,,,,,
,,,F06:A:2001,valid,,,,,[H]/N=C(N)/SCc1ccccc1Cl,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,4LP9,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SER LEU PHE HIS 22G THR PRO:I:400,valid,ic50,=,0.62,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C[NH2+]C(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)Cc1ccc(O)cc1)Cc1ccccc1)Cc1nc[nH]c1)Cc1ccccc1)CC(C)C)C([NH3+])CO,
,,3PRS,,,,,,,
,,,1PE:A:2001,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,DMS:A:5001,invalid,,,,,CS(=O)C,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:3001,invalid,,,,,C(COCCOCCO)O,
,,,RIT:A:1001,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,1ENT,,,,,,,
,,,0EM:E:822,valid,Ki,=,110,nM,NULL,
,,,SO4:E:823,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:824,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E80,,,,,,,
,,,0GQ:E:327,valid,,,,,CC[C@H](C)[C@@H](C(=O)NCc1cnc(nc1N)C)NC(=O)C[C@@H]([C@H](CC2CCCCC2)NC(=O)CCNC(=O)[C@H](Cc3ccccc3)NC(=O)N4CCC(CC4)N)O,
,,5LWS,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,TFA:A:411,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,7B2:A:409,valid,,,,,Cc1c2cnn3c(c2c(n1C)C[n+]4cc5c(n(c(c5c(n4)Cl)C)C)C)nnc3c6c(n(c(c6C=O)C)C)C,
,,,7B4:A:410,valid,,,,,Cc1c2cnnc(c2c(n1C)C)Cl,
,,3PBD,,,,,,,
,,,F05:A:1001,valid,,,,,c1ccc2c(c1)CN=C2N,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,1OD1,,,,,,,
,,,0QS:A:400,valid,,,,,CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WZ6,,,,,,,
,,,IXZ:A:409,valid,Ki,=,1.1,uM,c1ccc(cc1)CNCC(=O)Nc2c(c(cs2)c3ccccc3)C(=O)NCc4ccccc4,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG6:A:406,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,5ER1,,,,,,,
,,,0HT:E:327,valid,Ki,=,960,nM,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C(C)C)NC[C@@H]([C@H](CC(C)C)N)O,
,,1OEW,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,SER THR:A:401,valid,,,,,,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EPQ,,,,,,,
,,,0QF:E:327,valid,Ki,=,6.5,nM,CCS[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H]([C@H](CC(C)C)O)O)NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N3CCOCC3,
,,,SO4:E:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MB3,,,,,,,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:331,invalid,,,,,C(C(CO)O)O,
,,,5GL:A:335,valid,,,,,CCCN1C2=C(CCC2)C(=NC1=O)SC(C)C,
,,,ACT:A:334,invalid,,,,,CC(=O)[O-],
,,2JJI,,,,,,,
,,,0QS:A:331,valid,,,,,CC(C)(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC3CCCCC3)C(C(C(=O)NCCN4CCOCC4)(F)F)(O)O,
,,,SO4:A:1331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PCW,,,,,,,
,,,DMS:A:4001,invalid,,,,,CS(=O)C,
,,,FBF:A:2001,valid,,,,,[H]/N=C(/c1ccc(cc1)C(F)(F)F)N,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,3PGI,,,,,,,
,,,F41:A:2001,valid,,,,,c1cc2c(cc1NC(=O)CN3CCCCC3)OCO2,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,4Y3J,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,HIC:A:415,valid,Kd,=,6.8,mM,Cn1cc(nc1)C[C@@H](C(=O)O)N,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:413,invalid,,,,,CS(=O)C,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,,DMS:A:414,invalid,,,,,CS(=O)C,
,,1GVW,,,,,,,
,,,0EM:A:401,valid,Ki,=,110,nM,NULL,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ER2,,,,,,,
,,,0EK:E:327,valid,Ki,=,0.27,uM,NULL,
,,1EPP,,,,,,,
,,,1Z1:E:333,valid,Ki,=,69,nM,CC[C@H](C)CNC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=S)NC)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N(C)C)O,
,,,SO4:E:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ER7,,,,,,,
,,,BOC HIS PRO PHE HIS LOV ILE HIS:I:1,valid,ic50,=,0.7,nM,O=C(OC(C)(C)C)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc2nc[nH]c2)C(CC)C)C(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1,
,,,SO4:E:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KUP,,,,,,,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,1TZ:A:401,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,,1TZ:A:402,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,3WZ7,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,IXY:A:401,valid,Ki,=,1.8,uM,c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)CNCCc4c[nH]c5c4cccc5)CCCC3,
,,1EPO,,,,,,,
,,,2Z3:E:327,valid,Ki,=,11,nM,NULL,
,,1ER8,,,,,,,
,,,DHI PRO PHE HIS LEU LEU VAL TYR:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N[CH-]C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2nc[nH]c2)CCC1)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)CC(C)C)C(C)C)Cc1ccc(O)cc1,
,,3WZ8,,,,,,,
,,,IXV:A:401,valid,Ki,=,1.5,uM,c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CCNc3ccccc3)c4ccccc4,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,3PI0,,,,,,,
,,,DMS:A:4001,invalid,,,,,CS(=O)C,
,,,F91:A:2001,valid,,,,,c1cc2c(cc1NCc3ccncc3)OCCO2,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,1GVU,,,,,,,
,,,PRO HIS PRO PHE HIS STA VAL ILE HIS LYS:I:403,valid,Ki,=,1,nM,O=C(NC(C=O)C(CC)C)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1ccccc1)Cc1nc[nH]c1)CC(C)C)C(C)C,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EPL,,,,,,,
,,,PRO LEU GLU PSA ARG LEU:I:4,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(C)C)CCC(=O)[O-])Cc1ccccc1)CCCNC(=[NH2+])N)CC(C)C,
,,4Y3Y,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,DCL:A:412,valid,Kd,=,4.5,mM,CC(C)C[C@@H](CO)N,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,1E5O,,,,,,,
,,,3AI:E:327,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](CCSC)NC[C@H](Cc1ccccc1)N,
,,3PLD,,,,,,,
,,,F90:A:2001,valid,,,,,[H]/N=C(N)/SCc1ccc(cc1)Cl,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,5MB0,,,,,,,
,,,F91:A:341,valid,Kd,=,1.4,mM,c1cc2c(cc1NCc3ccncc3)OCCO2,
,,,F91:A:340,valid,Kd,=,1.4,mM,c1cc2c(cc1NCc3ccncc3)OCCO2,
,,,DMS:A:336,invalid,,,,,CS(=O)C,
,,,DMS:A:335,invalid,,,,,CS(=O)C,
,,,DMS:A:331,invalid,,,,,CS(=O)C,
,,,DMS:A:337,invalid,,,,,CS(=O)C,
,,,DMS:A:332,invalid,,,,,CS(=O)C,
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,F63:A:342,valid,Kd,=,0.5,mM,CNCc1ccc(o1)Oc2cccnc2,
,,,GOL:A:338,invalid,,,,,C(C(CO)O)O,
,,,47V:A:339,valid,Kd,=,0.7,mM,Cc1cc(c(o1)C)C(=O)Nc2ccncc2,
,,2ER6,,,,,,,
,,,PRO THR GLU PUK ARG GLU:I:1,valid,Ki,=,60,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH2+]CC(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,3URI,,,,,,,
,,,HIS PRO HIS LEU SER 13E ALA HIS:B:401,valid,,,,,S(CCC([NH2+]CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1nc[nH]c1)CC(C)C)CO)Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)[O-])Cc1nc[nH]c1)C)C,
,,4LHH,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,1TZ:A:401,valid,Ki,=,6,uM,Cc1cc(c(c(c1)C)/C=N/NC(=O)[C@H](Cc2c[nH]c3c2cccc3)N)C,
,,4Y48,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,GLY PRO:A:412,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,1E82,,,,,,,
,,,M90:E:400,valid,,,,,CSC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](COc2ccncc2)O)NC(=O)[C@H](Cc3ccccc3)OC(=O)N4CCC(CC4)N,
,,1EPN,,,,,,,
,,,2ZS:E:327,valid,,,,,CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CSC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCOCC3)O,
,,,SO4:E:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ER9,,,,,,,
,,,BOC HIS PRO PHE HIS STA LEU PHE:I:1,valid,Ki,=,40,nM,O=C(OC(C)(C)C)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(=O)NC(C(=O)[NH3+])CC(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1,
,,4Y4J,,,,,,,
,,,LNR:A:412,valid,Kd,=,3.4,mM,c1cc(c(cc1[C@H](CN)O)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,1GVX,,,,,,,
,,,PRO THR GLU PUK ARG GLU:I:401,valid,Ki,=,60,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH2+]CC(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1)CCCNC(=[NH2+])N)CCC(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PM4,,,,,,,
,,,F5N:A:2001,valid,,,,,c1ccc(cc1)NC(=O)Cc2cn3ccccc3n2,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,3PB5,,,,,,,
,,,F63:A:1001,valid,,,,,CNCc1ccc(o1)Oc2cccnc2,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,4ZE6,,,,,,,
,,,ACT:A:414,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:415,invalid,,,,,CS(=O)C,
,,,011:A:416,valid,Kd,=,3.3,mM,C(CCCN)CCC(=O)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,3PBZ,,,,,,,
,,,DMS:A:4001,invalid,,,,,CS(=O)C,
,,,DMS:A:4002,invalid,,,,,CS(=O)C,
,,,F02:A:1001,valid,,,,,CCN(CC)c1ccc(cc1)C(=O)NN,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,4ER1,,,,,,,
,,,0ZP:E:327,valid,Ki,=,0.24,uM,CC[C@H](C)CNC(=O)[C@H](CC(C)C)C[C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)O,
1.7.1.13,,,,,,,,,
,Family. Representative Entry is ,4FGC,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:203,Part of Protein,,,,,[Ca+2],
,,,PE4:B:203,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PQ0:B:201,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,PQ0:C:201,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,PQ0:D:201,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,PQ0:E:201,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,Family. Representative Entry is ,3BP1,,,,,,,
,,,GUN:A:290,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:290,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:290,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:D:290,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,MG:A:289,Part of Protein,,,,,[Mg+2],
,,,MG:D:289,Part of Protein,,,,,[Mg+2],
,,,PO4:A:288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POP:B:291,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:291,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
3.2.1.78,,,,,,,,,
,Family. Representative Entry is ,2WHL,,,,,,,
,,,ACT:A:1300,invalid,,,,,CC(=O)[O-],
,,,MAN BMA BMA:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1ODZ,,,,,,,
,,,MAN BMA:D:1,valid,,,,,,
,,,MAN BMA:C:1,valid,,,,,,
,,,NA:A:1427,Part of Protein,,,,,[Na+],
,,,NA:B:1427,Part of Protein,,,,,[Na+],
,,,TRS:A:1424,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1426,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1423,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1423,Part of Protein,,,,,[Zn+2],
,,1GVY,,,,,,,
,,,NA:A:1424,Part of Protein,,,,,[Na+],
,,,TRS:A:1429,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1423,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1425,Part of Protein,,,,,[Zn+2],
,,,MBF NIN BMA BMA:B:1,valid,,,,,FC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1,
,,1GW1,,,,,,,
,,,NA:A:1423,Part of Protein,,,,,[Na+],
,,,NIN MBF BMA BMA:A:1429,valid,,,,,,
,,,TRS:A:1430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1431,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1422,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1424,Part of Protein,,,,,[Zn+2],
,,,MAF BMA BMA:B:1,Part of Protein,,,,,,
,,2WHM,,,,,,,
,,,MAN BMA:B:1,valid,,,,,,
,,,NA:A:1425,Part of Protein,,,,,[Na+],
,,,TRS:A:1426,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1427,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1424,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3MAN,,,,,,,
,,,MAN BMA BMA:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2MAN,,,,,,,
,,,MAN BMA:B:1,valid,,,,,,
,Family. Representative Entry is ,4CD6,,,,,,,
,,,IFM BMA:A:500,valid,Ki,=,0.26,mM,,
,,4CD8,,,,,,,
,,,MVL BMA:A:400,valid,Ki,=,1.3,mM,O(C1C(O)C(O)c2n(C1CO)ccn2)C1C(O)C(O)C(O)C(CO)O1,
,,4CD7,,,,,,,
,,,MAN BMA:C:1,valid,,,,,,
,,,MAN BMA:D:1,valid,,,,,,
,,,IFM BMA:A:500,valid,,,,,,
,,,IFM BMA:B:500,valid,,,,,,
,Family. Representative Entry is ,5JUG,,,,,,,
,,,MAN BMA BMA BMA BMA:A:202,valid,,,,,,
,,,BMA BMA BMA BMA BMA:B:1,valid,,,,,,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,5JU9,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MAN BMA BMA:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3WDR,,,,,,,
,,,MG:A:411,invalid,,,,,[Mg+2],
,,,MG:A:412,invalid,,,,,[Mg+2],
,,,NA:A:410,invalid,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,BCT:A:408,invalid,,,,,C(=O)(O)[O-],
,,,MAN BGC:C:1,valid,,,,,,
,,,MAN BGC BMA BMA:B:1,valid,,,,,,
,,,BMA BGC BGC BMA:A:407,valid,,,,,,
,Family. Representative Entry is ,1PMH,,,,,,,
,,,CA:X:300,Part of Protein,,,,,[Ca+2],
,,,EDO:X:401,invalid,,,,,C(CO)O,
,,,EDO:X:402,invalid,,,,,C(CO)O,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,EDO:X:404,invalid,,,,,C(CO)O,
,,,MAN BMA BMA BMA BMA BMA:A:1,valid,Kd,=,0.1,uM,,
,Family. Representative Entry is ,1QNR,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:430,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:431,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:432,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:433,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BMA BMA:B:1,valid,,,,,,
1.11.1.16,,,,,,,,,
,Family. Representative Entry is ,4G05,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JZ3:A:404,valid,,,,,COc1ccccc1O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.137,,,,,,,,,
,Family. Representative Entry is ,6I3U,,,,,,,
,,,H2E:A:901,valid,ic50,=,0.0006,uM,C[C@H](CN1CCOCC1)Oc2ccc3c(c2)Cc4cccc(c4S3)C5=CC(=O)C=C(O5)N6CCOCC6,
,,4UWH,,,,,,,
,,,NA:A:1874,Part of Protein,,,,,[Na+],
,,,NA:A:1875,Part of Protein,,,,,[Na+],
,,,JXM:A:1876,valid,ic50,=,3,nM,c1ccc(cc1)[C@H](CN2[C@@H](CCN3C2=NC(=CC3=O)N4CCOCC4)C(F)(F)F)O,
1.17.4.4,,,,,,,,,
,Family. Representative Entry is ,6WVH,,,,,,,
,,,UA7:A:401,valid,,,,,c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br,
,,,UA7:B:401,valid,,,,,c1ccc2c(c1)C[C@H](C[C@H]2C3=C(c4ccccc4OC3=O)O)c5ccc(cc5)c6ccc(cc6)Br,
,,,OLC:A:402,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,6WV7,,,,,,,
,,,UAJ:A:400,valid,,,,,c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O,
,,,UAJ:B:400,valid,,,,,c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O,
,,6WV3,,,,,,,
,,,OLC:A:401,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,SWF:A:404,valid,,,,,CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O,
1.6.1.1,,,,,,,,,
,Family. Representative Entry is ,1F8G,,,,,,,
,,,NAD:A:2500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:2503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1L7E,,,,,,,
,,,NAI:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1D4O,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.1.1.272,,,,,,,,,
,Family. Representative Entry is ,2X06,,,,,,,
,,,NAD:A:4001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:4002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:4003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:4005,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:4006,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:4007,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:4008,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.2.99.18,,,,,,,,,
,Family. Representative Entry is ,5E50,,,,,,,
,,,ALA TYR ASP GLU SEP TPO ASP GLU GLU:D:228,valid,Kd,=,7,uM,,
,,,ALA TYR ASP GLU SEP TPO ASP GLU GLU:C:228,valid,Kd,=,7,uM,,
,,,MG:C:301,invalid,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,5W7Y,,,,,,,
,,,PRO TYR ALA GLY GLU TPO ASP GLU:C:514,valid,,,,,,
,,,PRO TYR ALA GLY GLU TPO ASP GLU:D:514,valid,,,,,,
,,5W7X,,,,,,,
,,,PRO TYR ALA GLY SEP TPO ASP GLU ASN:H:514,valid,Kd,=,80,uM,,
,,,PRO TYR ALA GLY SEP TPO ASP GLU ASN:E:514,valid,Kd,=,80,uM,,
,,,PRO TYR ALA GLY SEP TPO ASP GLU ASN:F:514,valid,Kd,=,80,uM,,
,,,PRO TYR ALA GLY SEP TPO ASP GLU ASN:G:514,valid,Kd,=,80,uM,,
1.13.12.16,,,,,,,,,
,Family. Representative Entry is ,6BKA,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,33O:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4Q4K,,,,,,,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
1.14.13.50,,,,,,,,,
,Family. Representative Entry is ,5KOX,,,,,,,
,,,RFP:A:502,valid,Kd,=,13,uM,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6C7S,,,,,,,
,,,RFH:A:502,valid,,,,,Cc1c(c2c(c3c1O[C@](C3=O)(C)O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]([C@@H](C)/C=C/C=C(C)/C(=O)N)O)O)OC(=O)C)OC)C(=O)C(=C(C2=O)O)C=NN4CCN(CC4)C)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KOW,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
3.4.16.4,,,,,,,,,
,Family. Representative Entry is ,1YQS,,,,,,,
,,,BSA:A:400,valid,,,,,c1ccc(cc1)C(=O)NCCS(=O)(=O)O,
,,,BSA:A:401,valid,,,,,c1ccc(cc1)C(=O)NCCS(=O)(=O)O,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,1IKI,,,,,,,
,,,DAL:A:500,valid,,,,,C[C@H](C(=O)O)N,
,,,REY:A:400,valid,,,,,C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+],
,,1HVB,,,,,,,
,,,CEH:A:401,valid,,,,,C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](CCC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)NC(=O)CC[C@H](C(=O)O)NC(=O)C,
,,1PW1,,,,,,,
,,,FOR:A:600,invalid,,,,,C=O,
,,,FOR:A:601,invalid,,,,,C=O,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,HEL:A:400,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-])C,
,,1IKG,,,,,,,
,,,REX:A:400,valid,,,,,C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(=O)C[NH3+],
,Family. Representative Entry is ,4K91,,,,,,,
,,,SIN:B:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:601,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:401,invalid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,4CJN,,,,,,,
,,,CL:B:1671,invalid,,,,,[Cl-],
,,,CL:A:1672,invalid,,,,,[Cl-],
,,,CL:A:1671,invalid,,,,,[Cl-],
,,,CL:B:1672,invalid,,,,,[Cl-],
,,,CD:B:1670,invalid,,,,,[Cd+2],
,,,CD:B:1669,invalid,,,,,[Cd+2],
,,,CD:A:1670,invalid,,,,,[Cd+2],
,,,CD:A:1669,invalid,,,,,[Cd+2],
,,,MUR:B:1674,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:1673,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,QNZ:B:1673,valid,Kd,=,17.5,uM,c1ccc2c(c1)C(=O)N(C(=N2)/C=C/c3ccc(cc3)C#N)c4cccc(c4)C(=O)O,
,,5M19,,,,,,,
,,,CD:B:702,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:701,invalid,,,,,[Cd+2],
,,,CD:B:701,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,MUR:B:703,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:703,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,6Q9N,,,,,,,
,,,CD:B:704,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:706,invalid,,,,,[Cd+2],
,,,CD:B:703,invalid,,,,,[Cd+2],
,,,MUR:A:707,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,JPP:A:702,invalid,,,,,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C)C(=O)O,
,,,QLN:A:701,valid,,,,,C#Cc1ccc(cc1)/C=C/C2=Nc3ccccc3C(=O)N2c4cccc(c4)C(=O)O,
,,3ZFZ,,,,,,,
,,,CD:B:1006,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:B:1002,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:B:1007,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1008,invalid,,,,,[Cd+2],
,,,AI8:A:1403,invalid,,,,,CCON=C(c1nc(sn1)N)C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)Sc3nc(cs3)c4cc[n+](cc4)C)C(=O)O,
,,,MUR:B:1669,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:1670,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,CL:A:1010,invalid,,,,,[Cl-],
,,,CL:B:1009,invalid,,,,,[Cl-],
,,,CL:A:1011,invalid,,,,,[Cl-],
,,,CL:B:1012,invalid,,,,,[Cl-],
,,,1W8:A:1669,valid,,,,,CCO/N=C(/c1nc(sn1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Sc4nc(cs4)c5cc[n+](cc5)C)C(=O)O,
,,5M18,,,,,,,
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:701,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CD:B:701,invalid,,,,,[Cd+2],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,MUR:B:702,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:703,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,5M1A,,,,,,,
,,,CD:B:702,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:701,invalid,,,,,[Cd+2],
,,,CD:B:701,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,MUR:B:703,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:703,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,4CPK,,,,,,,
,,,MUR:B:1677,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:A:1679,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,CL:B:1675,invalid,,,,,[Cl-],
,,,CL:A:1677,invalid,,,,,[Cl-],
,,,CL:B:1674,invalid,,,,,[Cl-],
,,,CL:A:1678,invalid,,,,,[Cl-],
,,,CD:A:1675,invalid,,,,,[Cd+2],
,,,CD:B:1669,invalid,,,,,[Cd+2],
,,,CD:A:1673,invalid,,,,,[Cd+2],
,,,CD:A:1671,invalid,,,,,[Cd+2],
,,,CD:B:1671,invalid,,,,,[Cd+2],
,,,CD:A:1672,invalid,,,,,[Cd+2],
,,,CD:A:1674,invalid,,,,,[Cd+2],
,,,CD:A:1670,invalid,,,,,[Cd+2],
,,,CD:B:1672,invalid,,,,,[Cd+2],
,,,CD:A:1676,invalid,,,,,[Cd+2],
,,,CD:B:1673,invalid,,,,,[Cd+2],
,Family. Representative Entry is ,3HUN,,,,,,,
,,,ZZ7:A:501,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:B:501,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,3HUM,,,,,,,
,,,CEW:A:501,valid,,,,,CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O,
,,,CEW:B:501,valid,,,,,CC1=C(N[C@H](SC1)[C@@H](C=O)NC(=O)C(=NOC)C2=CSC(N2)N)C(=O)O,
,Family. Representative Entry is ,5ZHW,,,,,,,
,,,PG4:A:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,DAL DAL:A:302,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:B:302,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,CU:B:301,Part of Protein,,,,,[Cu+2],
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,Family. Representative Entry is ,3ITA,,,,,,,
,,,AIC:D:501,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,AIX:A:500,invalid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,SO4:A:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ITB,,,,,,,
,,,AMV ALA FGA LYS DAL DAL:L:501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(OC)C1NC(=O)C)C)C)CCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)C)CCCC[NH3+],
,,,SO4:A:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:E:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,2VGK,,,,,,,
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:A:611,Part of Protein,,,,,[Mg+2],
,,,MG:D:610,Part of Protein,,,,,[Mg+2],
,,,MG:D:611,Part of Protein,,,,,[Mg+2],
,,,REZ:A:500,valid,,,,,C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N,
,,,REZ:B:500,valid,,,,,C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N,
,,,REZ:C:500,valid,,,,,C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6A6A,,,,,,,
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,PGE:A:306,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:307,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:306,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:307,invalid,,,,,C(COCCOCCO)O,
,,,DAL:A:301,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:B:301,valid,,,,,C[C@H](C(=O)O)N,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
4.1.1.23,,,,,,,,,
,Family. Representative Entry is ,1LOR,,,,,,,
,,,BMP:A:2001,valid,Ki,=,8.8,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3V1P,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,SO4:A:230,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:230,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G24,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1LOS,,,,,,,
,,,UP6:A:5001,valid,Ki,=,64,nM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:5002,valid,Ki,=,64,nM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:C:5003,valid,Ki,=,64,nM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:D:5004,valid,Ki,=,64,nM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3NQG,,,,,,,
,,,BMP:I:1,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:I:2,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,3NQD,,,,,,,
,,,BMP:I:1,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:I:2,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:C:1,invalid,,,,,C(C(CO)O)O,
,,3LHY,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LTS,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3G1X,,,,,,,
,,,CL:A:231,invalid,,,,,[Cl-],
,,,CL:B:229,invalid,,,,,[Cl-],
,,,U:A:229,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:B:230,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KM0,,,,,,,
,,,UP6:A:5001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:5002,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:C:5003,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:D:5004,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3WJX,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NUP:A:301,valid,Ki,=,840,nM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,1LP6,,,,,,,
,,,C5P:A:2001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:2002,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LLF,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3G1D,,,,,,,
,,,U:A:229,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:B:229,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LHT,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3NQE,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:230,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:231,invalid,,,,,C(C(CO)O)O,
,,3WK1,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,O7E:A:301,valid,,,,,CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KM3,,,,,,,
,,,UP6:A:2001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LV5,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3LHW,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KM1,,,,,,,
,,,UP6:A:5001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:5002,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LV6,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3G1F,,,,,,,
,,,2OM:A:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:B:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:C:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:D:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:E:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:F:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:G:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:H:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:I:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:J:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:K:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:L:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,2OM:M:229,valid,Ki,=,100,uM,C1[C@@H](N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,3M1Z,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3W07,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,U5P:A:301,valid,Kd,=,0.00042,M,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3PBU,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3NQC,,,,,,,
,,,BMP:I:1,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:I:2,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3LHZ,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KM2,,,,,,,
,,,UP6:A:2001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3PC0,,,,,,,
,,,GOL:B:230,invalid,,,,,C(C(CO)O)O,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3WK2,,,,,,,
,,,O7M:A:301,valid,,,,,COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3PBY,,,,,,,
,,,GOL:A:230,invalid,,,,,C(C(CO)O)O,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LI0,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KM4,,,,,,,
,,,U:A:2001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LHU,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3G22,,,,,,,
,,,U:A:229,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:B:229,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2ZZ1,,,,,,,
,,,6CN:A:303,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,6CN:B:304,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,BMP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:302,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,4GC4,,,,,,,
,,,BMP:B:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,4FX8,,,,,,,
,,,BMP:B:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LI1,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1KLY,,,,,,,
,,,UP6:A:2001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3G1V,,,,,,,
,,,5FU:A:501,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F,
,,,5FU:B:502,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:229,invalid,,,,,[Cl-],
,,1DVJ,,,,,,,
,,,UP6:A:5001,valid,Ki,=,0.51,mM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:5002,valid,Ki,=,0.51,mM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:C:5003,valid,Ki,=,0.51,mM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:D:5004,valid,Ki,=,0.51,mM,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LTY,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3WJY,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,NUP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,1KM5,,,,,,,
,,,CL:A:4001,invalid,,,,,[Cl-],
,,,UP6:A:2001,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3PBW,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3WK0,,,,,,,
,,,O7M:A:301,valid,,,,,COC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,2ZZ7,,,,,,,
,,,BMP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,3NQM,,,,,,,
,,,BMP:I:1,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:I:2,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3,invalid,,,,,C(C(CO)O)O,
,,4FX6,,,,,,,
,,,GOL:M:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:304,invalid,,,,,C(C(CO)O)O,
,,,BMP:M:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:N:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3G1H,,,,,,,
,,,H2U:A:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:B:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:C:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:D:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:E:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:F:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:G:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:H:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:I:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:J:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:K:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:L:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,H2U:M:229,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4FXR,,,,,,,
,,,BMP:B:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,1KM6,,,,,,,
,,,OMP:A:2001,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,3LTP,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3WJW,,,,,,,
,,,U6M:A:301,valid,Ki,=,134,uM,CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LLD,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3NQF,,,,,,,
,,,BMP:A:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:229,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:230,invalid,,,,,C(C(CO)O)O,
,,1LOQ,,,,,,,
,,,U:A:2001,valid,Ki,=,0.2,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3G1A,,,,,,,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3PBV,,,,,,,
,,,GOL:A:230,invalid,,,,,C(C(CO)O)O,
,,,UP6:A:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:229,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3WK3,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,O7E:A:301,valid,,,,,CCOC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3LHV,,,,,,,
,,,BMQ:A:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:C:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:D:229,valid,,,,,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1LOL,,,,,,,
,,,BU2:A:5001,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:B:5002,invalid,,,,,C[C@@H](CCO)O,
,,,XMP:A:2001,valid,Ki,=,0.41,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:B:2002,valid,Ki,=,0.41,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,1X1Z,,,,,,,
,,,BMP:A:301,valid,Ki,=,8.8,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:A:302,valid,Ki,=,8.8,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,2ZZ5,,,,,,,
,,,6CN:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,6CN:B:302,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,1KLZ,,,,,,,
,,,CL:A:5001,invalid,,,,,[Cl-],
,,,CL:A:5002,invalid,,,,,[Cl-],
,,,U:A:2001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3WJZ,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,NUP:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,2ZZ2,,,,,,,
,,,6CN:A:301,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,6CN:B:302,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3MI2,,,,,,,
,,,PFU:A:1,valid,Ki,=,0.00000079,M,C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O,
,,,PFU:B:1,valid,Ki,=,0.00000079,M,C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O,
,,3EWZ,,,,,,,
,,,CNU:B:481,valid,ic50,=,79,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,CNU:B:482,valid,ic50,=,79,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,CNU:B:483,valid,ic50,=,79,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,CNU:B:484,valid,ic50,=,79,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,SO4:A:481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EX2,,,,,,,
,,,6CN:A:481,valid,ic50,~,200,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,6CN:B:481,valid,ic50,~,200,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,GOL:A:482,invalid,,,,,C(C(CO)O)O,
,,2QCG,,,,,,,
,,,5BU:A:1,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br,
,,,5BU:B:2,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)Br,
,,3L0N,,,,,,,
,,,S5P:A:257,valid,ic50,=,1680,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S,
,,,S5P:B:257,valid,ic50,=,1680,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)S,
,,2QCL,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,OMP:A:1,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,,OMP:B:2,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,3L0K,,,,,,,
,,,6AU:A:257,valid,ic50,=,24,uM,CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,6AU:B:257,valid,ic50,=,24,uM,CC(=O)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:258,invalid,,,,,C(C(CO)O)O,
,,3EWY,,,,,,,
,,,GOL:A:482,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:483,invalid,,,,,C(C(CO)O)O,
,,,U5P:A:481,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3EX1,,,,,,,
,,,6CN:B:481,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C#N,
,,,GOL:A:482,invalid,,,,,C(C(CO)O)O,
,,,U5P:A:481,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3EX4,,,,,,,
,,,BMP:A:481,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,2QCF,,,,,,,
,,,5FU:A:501,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)F,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,2QCM,,,,,,,
,,,JW5:A:482,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)CO,
,,2QCH,,,,,,,
,,,5IU:A:1,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O,
,,,5IU:B:3,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)O)O,
,,,IOD:A:5,invalid,,,,,[I-],
,,,IOD:B:6,invalid,,,,,[I-],
,,,UMP:A:2,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:4,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,3EWX,,,,,,,
,,,BMP:A:481,valid,,,,,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,GOL:A:482,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1DBT,,,,,,,
,,,U5P:A:250,valid,Ki,=,0.46,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:251,valid,Ki,=,0.46,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:252,valid,Ki,=,0.46,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,2QCD,,,,,,,
,,,U5P:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:2,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1DQX,,,,,,,
,,,BMP:A:601,valid,Ki,=,9,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:B:602,valid,Ki,=,9,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:C:603,valid,Ki,=,9,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,,BMP:D:604,valid,Ki,=,9,pM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)O,
,,3GDT,,,,,,,
,,,UP6:A:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:C:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:D:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3GDL,,,,,,,
,,,UP6:A:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UP6:B:301,valid,,,,,C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,2Q8Z,,,,,,,
,,,7PE:A:601,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,NUP:A:401,valid,Ki,=,2.1,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,NUP:B:401,valid,Ki,=,2.1,uM,C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,PEG:A:701,invalid,,,,,C(COCCO)O,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VI2,,,,,,,
,,,HMZ:A:500,valid,,,,,COc1ccc(c(c1)O)C(=O)CCC(=O)O,
,,,HMZ:B:600,valid,,,,,COc1ccc(c(c1)O)C(=O)CCC(=O)O,
,,,NA:A:324,invalid,,,,,[Na+],
,,,NA:B:324,invalid,,,,,[Na+],
,,,NA:B:325,invalid,,,,,[Na+],
,,3S9Y,,,,,,,
,,,FNU:A:324,valid,Ki,=,16.6,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O,
,,,FNU:B:324,valid,Ki,=,16.6,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O,
,,,FNU:C:324,valid,Ki,=,16.6,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O,
,,,FNU:D:324,valid,Ki,=,16.6,uM,C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C(=C(C(=O)NC2=O)F)N)O)O)OP(=O)(O)O,
,,,P6G:B:3003,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:3002,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:B:3001,invalid,,,,,C(COCCO)O,
,,,PGE:B:3000,invalid,,,,,C(COCCOCCO)O,
,,,SO4:B:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4HKP,,,,,,,
,,,16B:A:305,valid,,,,,C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,TKW:A:304,valid,,,,,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O,
,,,TKW:B:304,valid,,,,,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)O,
,Family. Representative Entry is ,1EIX,,,,,,,
,,,BMQ:A:1301,valid,Ki,=,8.8,pM,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:B:1302,valid,Ki,=,8.8,pM,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:C:1303,valid,Ki,=,8.8,pM,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,BMQ:D:1304,valid,Ki,=,8.8,pM,C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
6.3.2.31,,,,,,,,,
,Family. Representative Entry is ,4XOQ,,,,,,,
,,,F42:B:501,valid,Kd,=,1.47,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:A:501,valid,Kd,=,1.47,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:C:501,valid,Kd,=,1.47,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:D:501,valid,Kd,=,1.47,uM,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XOO,,,,,,,
,,,FMN:A:501,valid,Kd,=,14.7,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,Kd,=,14.7,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,Kd,=,14.7,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,Kd,=,14.7,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.3.2.3,,,,,,,,,
,Family. Representative Entry is ,4V36,,,,,,,
,,,TRS:A:1852,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1849,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,LYN:A:1851,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)N)N,
2.2.1.1,,,,,,,,,
,Family. Representative Entry is ,1R9J,,,,,,,
,,,CA:A:1670,Part of Protein,,,,,[Ca+2],
,,,CA:B:2670,Part of Protein,,,,,[Ca+2],
,,,TPP:A:1671,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:2671,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,1TKB,,,,,,,
,,,CA:A:682,Part of Protein,,,,,[Ca+2],
,,,CA:B:682,Part of Protein,,,,,[Ca+2],
,,,N1T:A:681,valid,Kd,=,0.000000064,M,Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-],
,,,N1T:B:681,valid,Kd,=,0.000000064,M,Cc1ccc(c(n1)N)C[n+]2csc(c2C)CCO[P@](=O)(O)O[P@@](=O)(O)[O-],
,,1NGS,,,,,,,
,,,CA:A:681,Part of Protein,,,,,[Ca+2],
,,,CA:B:681,Part of Protein,,,,,[Ca+2],
,,,E4P:A:900,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:B:900,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,TPP:A:682,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:682,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1TRK,,,,,,,
,,,CA:A:681,Part of Protein,,,,,[Ca+2],
,,,CA:B:681,Part of Protein,,,,,[Ca+2],
,,,TPP:A:682,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:682,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1GPU,,,,,,,
,,,CA:A:1681,Part of Protein,,,,,[Ca+2],
,,,CA:B:1681,Part of Protein,,,,,[Ca+2],
,,,THD:A:1682,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,THD:B:1682,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,4KXV,,,,,,,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,TDP DX5:A:1011,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)[n+](Cc2c(N)nc(C)nc2)c(C(O)(C(O)C(O)COP(=O)([O-])[O-])CO)s1)[O-],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,4KXW,,,,,,,
,,,DX5:A:1017,valid,,,,,C([C@@H]([C@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,NA:A:1013,Part of Protein,,,,,[Na+],
,,,TDP DX5:A:1015,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)[n+](Cc2c(N)nc(C)nc2)c(C(O)(C(O)C(O)COP(=O)([O-])[O-])CO)s1)[O-],
,,6RJB,,,,,,,
,,,NA:A:726,Part of Protein,,,,,[Na+],
,,,NA:A:725,Part of Protein,,,,,[Na+],
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:724,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:723,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:724,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,PEG:B:725,invalid,,,,,C(COCCO)O,
,,,PEG:A:727,invalid,,,,,C(COCCO)O,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,TDP:B:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,3MOS,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,NA:A:628,Part of Protein,,,,,[Na+],
,,,TPP:A:700,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6HA3,,,,,,,
,,,CA:A:715,Part of Protein,,,,,[Ca+2],
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,T6F:A:701,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,MG:A:716,Part of Protein,,,,,[Mg+2],
,,6HAD,,,,,,,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,TDP:A:704,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,4KXY,,,,,,,
,,,EDO:B:1016,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:1015,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:1017,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,CA:B:1007,Part of Protein,,,,,[Ca+2],
,,,CA:A:707,Part of Protein,,,,,[Ca+2],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:B:1014,Part of Protein,,,,,[Na+],
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1U0:A:709,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O,
,,,1U0:B:1006,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](CO)O)CCOP(=O)(O)OP(=O)(O)O,
,,4KXU,,,,,,,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,S6P TDP:A:1014,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)[n+](CC=2C(=N)N=C(C)NC=2)c(C(O)(C(O)C(O)C(O)COP(=O)([O-])[O-])CO)s1)[O-],
,,,NA:A:1009,Part of Protein,,,,,[Na+],
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,4KXX,,,,,,,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,MG:A:1013,Part of Protein,,,,,[Mg+2],
,,,1Y7 TDP:A:1001,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCc1c(C)[n+](Cc2c(N)nc(C)nc2)c(C(O)(C(O)C(O)C(O)C(O)COP(=O)([O-])[O-])CO)s1)[O-],
,,,NA:A:1015,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5XU2,,,,,,,
,,,8EL:A:706,valid,,,,,Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,F6R:A:705,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,TPP:A:707,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,5HYV,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,TPP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,1PE:A:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:703,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5XSA,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8EL:A:702,valid,,,,,Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O,
,,5I5E,,,,,,,
,,,TPP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,5SP:A:702,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,5XU9,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,8N9:A:709,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(CO)/O)CCOP(=O)(O)OP(=O)(O)O)C,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,E4P:A:710,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,5XRV,,,,,,,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:709,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,F6R:A:702,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8EF:A:703,valid,,,,,Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O,
,,,TPP:A:710,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,5XS6,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,TPP:A:705,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,5XSB,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8EL:A:702,valid,,,,,Cc1ncc(c(n1)N)CN2CSC(=C2C)CCOP(=O)(O)OP(=O)(O)O,
,,5XSM,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,8EO:A:705,valid,,,,,Cc1ncc(c(n1)N)C[N+]2=C([C@@H](SC2)CCOP(=O)(O)OP(=O)(O)O)C,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,5XUF,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8FL:A:704,valid,,,,,Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O,
,,5XVT,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8FL:A:709,valid,,,,,Cc1ncc(c(n1)N)CN2[C@@H](SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)O,
,,5XTV,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,8EF:A:705,valid,,,,,Cc1ncc(c(n1)N)CN2CS[C@H](C2=C)CCOP(=O)(O)OP(=O)(O)O,
,,5XQK,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:709,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,T5X:A:701,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,5XPS,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:701,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:707,Part of Protein,,,,,[Ca+2],
,,,E4P:A:706,invalid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,TPP:A:705,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,5I51,,,,,,,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,TPP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,F6R:A:702,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,5XT4,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,T6F:A:705,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,5XTX,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,invalid,,,,,[Ca+2],
,,,8ML:A:705,valid,,,,,Cc1ncc(c(n1)N)CN2C(SC(C2=C)CCOP(=O)(O)OP(=O)(O)O)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,5XT0,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PEG:A:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,T6F:A:709,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,5XQA,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,TPP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,HSX:A:703,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,5XTL,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,P23:A:701,invalid,,,,,CCCO[P@@](=O)(O)OP(=O)(O)O,
,,,8GF:A:706,valid,,,,,Cc1nccc(n1)N,
,,5HJE,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,TPP:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,I22:A:703,valid,,,,,C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5ND5,,,,,,,
,,,TPP:B:801,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:801,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2R5N,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,CA:B:2000,Part of Protein,,,,,[Ca+2],
,,,EDO:A:673,invalid,,,,,C(CO)O,
,,,EDO:A:674,invalid,,,,,C(CO)O,
,,,EDO:A:675,invalid,,,,,C(CO)O,
,,,EDO:A:676,invalid,,,,,C(CO)O,
,,,EDO:A:677,invalid,,,,,C(CO)O,
,,,EDO:A:678,invalid,,,,,C(CO)O,
,,,EDO:A:679,invalid,,,,,C(CO)O,
,,,EDO:A:680,invalid,,,,,C(CO)O,
,,,EDO:B:673,invalid,,,,,C(CO)O,
,,,EDO:B:674,invalid,,,,,C(CO)O,
,,,EDO:B:675,invalid,,,,,C(CO)O,
,,,EDO:B:676,invalid,,,,,C(CO)O,
,,,EDO:B:677,invalid,,,,,C(CO)O,
,,,EDO:B:678,invalid,,,,,C(CO)O,
,,,EDO:B:679,invalid,,,,,C(CO)O,
,,,EDO:B:680,invalid,,,,,C(CO)O,
,,,R5P:A:670,valid,Kd,=,700,uM,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,RP5:B:671,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:B:681,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,TPP:A:672,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:672,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6TJ8,,,,,,,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,NDQ:A:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O,
,,,NDQ:B:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,6TJ9,,,,,,,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,5SP:A:701,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5SP:B:703,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,NA:B:717,Part of Protein,,,,,[Na+],
,,,NA:A:717,Part of Protein,,,,,[Na+],
,,,NDQ:A:702,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O,
,,,NDQ:B:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP(=O)(O)O,
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,1QGD,,,,,,,
,,,CA:A:675,Part of Protein,,,,,[Ca+2],
,,,CA:B:675,Part of Protein,,,,,[Ca+2],
,,,SO4:A:680,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:680,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:670,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:670,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2R8O,,,,,,,
,,,CA:A:670,Part of Protein,,,,,[Ca+2],
,,,CA:B:670,Part of Protein,,,,,[Ca+2],
,,,EDO:A:672,invalid,,,,,C(CO)O,
,,,EDO:B:672,invalid,,,,,C(CO)O,
,,,EDO:B:673,invalid,,,,,C(CO)O,
,,,EDO:B:674,invalid,,,,,C(CO)O,
,,,EDO:B:675,invalid,,,,,C(CO)O,
,,,EDO:B:676,invalid,,,,,C(CO)O,
,,,EDO:B:677,invalid,,,,,C(CO)O,
,,,EDO:B:678,invalid,,,,,C(CO)O,
,,,EDO:B:679,invalid,,,,,C(CO)O,
,,,EDO:B:680,invalid,,,,,C(CO)O,
,,,EDO:B:681,invalid,,,,,C(CO)O,
,,,T5X:A:671,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,T5X:B:671,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H](COP(=O)(O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2R8P,,,,,,,
,,,CA:A:670,Part of Protein,,,,,[Ca+2],
,,,CA:B:670,Part of Protein,,,,,[Ca+2],
,,,EDO:A:672,invalid,,,,,C(CO)O,
,,,EDO:B:672,invalid,,,,,C(CO)O,
,,,EDO:B:673,invalid,,,,,C(CO)O,
,,,EDO:B:674,invalid,,,,,C(CO)O,
,,,EDO:B:675,invalid,,,,,C(CO)O,
,,,EDO:B:676,invalid,,,,,C(CO)O,
,,,EDO:B:677,invalid,,,,,C(CO)O,
,,,EDO:B:678,invalid,,,,,C(CO)O,
,,,EDO:B:679,invalid,,,,,C(CO)O,
,,,T6F:A:671,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,T6F:B:671,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@](CO)([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,5HHT,,,,,,,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:723,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:712,Part of Protein,,,,,[Ca+2],
,,,TDP:A:703,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:B:711,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,Family. Representative Entry is ,1ITZ,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,TPP:A:1002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1003,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1004,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
1.1.3.4,,,,,,,,,
,Family. Representative Entry is ,1GPE,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:602,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,Part of Protein,,,,,,
,Family. Representative Entry is ,3QVP,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:603,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,5NIT,,,,,,,
,,,DIO:A:622,invalid,,,,,C1COCCO1,
,,,DIO:A:618,invalid,,,,,C1COCCO1,
,,,DIO:A:615,invalid,,,,,C1COCCO1,
,,,DIO:A:620,invalid,,,,,C1COCCO1,
,,,DIO:A:617,invalid,,,,,C1COCCO1,
,,,DIO:A:621,invalid,,,,,C1COCCO1,
,,,DIO:A:614,invalid,,,,,C1COCCO1,
,,,DIO:A:612,invalid,,,,,C1COCCO1,
,,,DIO:A:610,invalid,,,,,C1COCCO1,
,,,DIO:A:625,invalid,,,,,C1COCCO1,
,,,DIO:A:611,invalid,,,,,C1COCCO1,
,,,DIO:A:626,invalid,,,,,C1COCCO1,
,,,DIO:A:623,invalid,,,,,C1COCCO1,
,,,DIO:A:624,invalid,,,,,C1COCCO1,
,,,DIO:A:613,invalid,,,,,C1COCCO1,
,,,DIO:A:616,invalid,,,,,C1COCCO1,
,,,DIO:A:619,invalid,,,,,C1COCCO1,
,,,DIO:A:627,invalid,,,,,C1COCCO1,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:A:628,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG NAG BMA MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,OXY:A:602,invalid,,,,,O=O,
,,5NIW,,,,,,,
,,,DIO:A:622,invalid,,,,,C1COCCO1,
,,,DIO:A:618,invalid,,,,,C1COCCO1,
,,,DIO:A:615,invalid,,,,,C1COCCO1,
,,,DIO:A:620,invalid,,,,,C1COCCO1,
,,,DIO:A:617,invalid,,,,,C1COCCO1,
,,,DIO:A:621,invalid,,,,,C1COCCO1,
,,,DIO:A:614,invalid,,,,,C1COCCO1,
,,,DIO:A:612,invalid,,,,,C1COCCO1,
,,,DIO:A:611,invalid,,,,,C1COCCO1,
,,,DIO:A:613,invalid,,,,,C1COCCO1,
,,,DIO:A:616,invalid,,,,,C1COCCO1,
,,,DIO:A:619,invalid,,,,,C1COCCO1,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:623,invalid,,,,,C(COCCO)O,
,,,PEG:A:624,invalid,,,,,C(COCCO)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,P4C:A:626,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:A:625,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,OXY:A:602,invalid,,,,,O=O,
,,1CF3,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:603,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,1GAL,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,3QVR,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:603,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
1.3.1.43,,,,,,,,,
,Family. Representative Entry is ,2F1K,,,,,,,
,,,NAP:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TRS:C:1001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1002,invalid,,,,,C(C(CO)(CO)[NH3+])O,
2.7.1.74,,,,,,,,,
,Family. Representative Entry is ,4Q1A,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,2XZ:B:301,valid,Ki,=,0.5,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N,
,,,2XZ:A:301,valid,Ki,=,0.5,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OC)CSc3nc(cc(n3)N)N,
,,4L5B,,,,,,,
,,,1UX:B:301,valid,,,,,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N,
,,,1UX:A:301,valid,,,,,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3nc(cc(n3)N)N,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4KCG,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,1QC:B:301,valid,,,,,CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N,
,,,1QC:A:301,valid,,,,,CCCc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)CSc3nc(cc(n3)N)N,
,,2ZI4,,,,,,,
,,,3L1:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,4JLK,,,,,,,
,,,1NO:A:402,valid,,,,,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,1NO:A:403,valid,,,,,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,1NO:B:402,valid,,,,,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,1NO:B:403,valid,,,,,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2NO7,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LDC:A:401,valid,,,,,C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O,
,,,LDC:B:401,valid,,,,,C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)N)CO)O,
,,4Q18,,,,,,,
,,,2XJ:B:403,valid,Ki,=,735,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N,
,,,2XJ:B:402,valid,Ki,=,735,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N,
,,,2XJ:A:301,valid,Ki,=,735,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N,
,,,2XJ:A:302,valid,Ki,=,735,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCC(C)(C)O)OC)CSc3cc(nc(n3)N)N,
,,,UDP:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2NO0,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GEO:A:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,
,,,GEO:B:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,
,,1P5Z,,,,,,,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AR3:B:304,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,2ZI7,,,,,,,
,,,GNG:A:502,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,GNG:B:503,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4Q1E,,,,,,,
,,,2Y7:A:302,valid,Ki,=,6.8,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N,
,,,2Y7:B:302,valid,Ki,=,6.8,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@H](C)Sc3nc(cc(n3)N)N,
,,,2Y8:A:301,valid,Ki,=,6.8,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,2Y8:B:301,valid,Ki,=,6.8,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,UDP:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1P62,,,,,,,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GEO:B:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,2NO1,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DCZ:A:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,DCZ:B:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,4JLM,,,,,,,
,,,1NN:A:302,valid,Ki,=,6.1,nM,CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,1NN:B:301,valid,Ki,=,6.1,nM,CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,1NN:A:301,valid,Ki,=,6.1,nM,CCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,UDP:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2ZIA,,,,,,,
,,,CL9:A:401,valid,,,,,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N,
,,,CL9:B:401,valid,,,,,c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)CO)O)Cl)N,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3QEO,,,,,,,
,,,LLT:A:261,valid,,,,,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O,
,,,LLT:B:261,valid,,,,,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1P61,,,,,,,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DCZ:B:302,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,3QEN,,,,,,,
,,,5BT:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O,
,,,5BT:B:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)CO)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4Q1C,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,2XM:B:301,valid,Ki,=,2,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N,
,,,2XM:A:301,valid,Ki,=,2,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCO)OCCO)CSc3nc(cc(n3)N)N,
,,3KFX,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MCY:A:402,valid,,,,,CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,MCY:B:502,valid,,,,,CC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,3IPX,,,,,,,
,,,ADP:A:261,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B86:A:262,valid,ic50,=,120,nM,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)F)CO)O,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,4Q1D,,,,,,,
,,,2Y1:B:301,valid,Ki,=,16.6,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,2Y1:A:301,valid,Ki,=,16.6,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2ZI3,,,,,,,
,,,3D1:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4Q19,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,invalid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,2XL:B:301,valid,Ki,=,8.9,nM,CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N,
,,,2XL:A:301,valid,Ki,=,8.9,nM,CCCc1c(nc(s1)c2ccc(c(c2)O)OC)CSc3nc(cc(n3)N)N,
,,2NO6,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ETV:A:302,valid,,,,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,
,,,ETV:B:302,valid,,,,,C1[C@H](O[C@H](S1)CO)N2C=C(C(=NC2=O)N)F,
,,2NO9,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LTT:A:302,valid,,,,,C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N,
,,,LTT:B:302,valid,,,,,C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N,
,,3HP1,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LLT:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O,
,,4Q1F,,,,,,,
,,,2XN:B:302,valid,Ki,=,9.2,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,2XN:A:302,valid,Ki,=,9.2,nM,Cc1c(nc(s1)c2ccc(c(c2)OCCNS(=O)(=O)C)OC)[C@@H](C)Sc3nc(cc(n3)N)N,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3MJR,,,,,,,
,,,AC2:A:301,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,AC2:B:401,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,AC2:D:601,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,UDP:A:261,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:261,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:261,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2NOA,,,,,,,
,,,3TC:A:302,valid,,,,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,
,,,3TC:B:302,valid,,,,,C1[C@H](O[C@H](S1)CO)N2C=CC(=NC2=O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2ZI6,,,,,,,
,,,3D1:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:B:2302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:C:3302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:D:4302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,UDP:A:1301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:2301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:3301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:4301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2ZI5,,,,,,,
,,,3L1:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N,
,,,3L1:B:2401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N,
,,,3L1:C:3401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N,
,,,3L1:D:4401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3C[C@H]([C@@H](O3)CO)O)N,
,,,UDP:A:1301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:3301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:4301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4Q1B,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,2Y0:A:301,valid,Ki,=,1.9,nM,CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N,
,,,2Y0:B:301,valid,Ki,=,1.9,nM,CCCc1c(nc(s1)c2cccc(c2)OCCNS(=O)(=O)C)CSc3nc(cc(n3)N)N,
,,4JLJ,,,,,,,
,,,1NM:B:301,valid,Ki,=,726.4,nM,COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N,
,,,1NM:A:301,valid,Ki,=,726.4,nM,COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N,
,,,1NM:B:302,valid,Ki,=,726.4,nM,COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N,
,,,1NM:A:302,valid,Ki,=,726.4,nM,COc1ccc(cc1OCCF)c2nc(cs2)CSc3nc(cc(n3)N)N,
,,,UDP:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4JLN,,,,,,,
,,,UDP:A:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:302,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,18V:B:301,valid,Ki,=,1.5,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,,18V:A:301,valid,Ki,=,1.5,nM,CCCc1c(nc(s1)c2ccc(c(c2)OCCF)OC)CSc3nc(cc(n3)N)N,
,,3QEJ,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1P60,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DCZ:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,DCZ:B:502,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
3.1.7.9,,,,,,,,,
,Family. Representative Entry is ,3WQM,,,,,,,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,B29:A:401,valid,Kd,=,560,nM,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:A:402,valid,Kd,=,560,nM,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,4KT8,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9AX:A:301,valid,,,,,C[C@H]1CC=C2[C@H]([C@]1(C)CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCCC2(C)C,
1.1.1.3,,,,,,,,,
,Family. Representative Entry is ,6A0S,,,,,,,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:409,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:B:410,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,NDP:B:403,valid,Kd,=,1.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:403,valid,Kd,=,1.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,HSE:B:402,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,HSE:A:402,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,CXS:B:404,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,6A0T,,,,,,,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,HSE:B:402,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,HSE:A:402,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,CXS:B:404,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,6A0U,,,,,,,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,HSE:B:409,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,HSE:A:412,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,UNL:B:412,invalid,,,,,NULL,
,,,CXS:B:410,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5X9D,,,,,,,
,,,80F:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C[C@@H](C(=C5)C(=O)N)SC[C@@H](C(=O)O)N)O)O)O)O)N,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,4PG7,,,,,,,
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,LYS:A:509,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1EBF,,,,,,,
,,,NA:A:2104,Part of Protein,,,,,[Na+],
,,,NA:B:2114,Part of Protein,,,,,[Na+],
,,,NAD:A:2109,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.2.3.1,,,,,,,,,
,Family. Representative Entry is ,2WXD,,,,,,,
,,,E18:M:1501,valid,ic50,=,3.3,uM,CN(C)CCS/C(=NOS(=O)(=O)O)/Cc1ccccc1,
,,,GOL:M:2511,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:2512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:2513,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:2514,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP:C:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,1W9D,,,,,,,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1514,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SEH:M:999,valid,ic50,=,0.58,mM,CCS/C(=NOS(=O)(=O)O)/Cc1ccccc1,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,1W9B,,,,,,,
,,,CGT:M:999,valid,ic50,=,0.99,mM,c1ccc(cc1)C/C(=N/OS(=O)(=O)O)/S[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO,
,,,GOL:M:1000,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,1E6Q,,,,,,,
,,,GOL:M:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1534,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NTZ:M:999,valid,Ki,=,0.7,mM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,SO4:M:1513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1520,Part of Protein,,,,,[Zn+2],
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,1E70,,,,,,,
,,,G2F:M:999,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,GOL:M:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1514,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,,NAG FUC NAG MAN XYP MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,1E71,,,,,,,
,,,ASC:M:995,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,GOL:M:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1515,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1503,Part of Protein,,,,,[Zn+2],
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,1E72,,,,,,,
,,,ASC:M:995,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,GOL:M:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1514,invalid,,,,,C(C(CO)O)O,
,,,GOX:M:999,valid,Ki,=,0.6,mM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,1E6X,,,,,,,
,,,GOL:M:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1514,invalid,,,,,C(C(CO)O)O,
,,,LGC:M:999,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA XYP MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4 SO4:M:1505,invalid,,,,,,
,,,ZN:M:1502,Part of Protein,,,,,[Zn+2],
,,1E73,,,,,,,
,,,ASC:M:995,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,G2F:M:999,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,GOL:M:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1513,invalid,,,,,C(C(CO)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:931,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:991,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:1515,Part of Protein,,,,,[Zn+2],
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,1E6S,,,,,,,
,,,GOL:M:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:932,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:930,invalid,,,,,C(C(CO)O)O,
,,,GOX:M:921,valid,Ki,=,0.6,mM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,NAG:M:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:919,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:920,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA XYP:B:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:M:926,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:925,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:927,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:924,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:928,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:929,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:923,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:M:922,Part of Protein,,,,,[Zn+2],
2.4.1.7,,,,,,,,,
,Family. Representative Entry is ,2GDV,,,,,,,
,,,BGC:A:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5M9X,,,,,,,
,,,7KP:B:601,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2GDU,,,,,,,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,5MAN,,,,,,,
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
2.1.1.5,,,,,,,,,
,Family. Representative Entry is ,4M3P,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:702,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,SRT:B:501,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:501,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,HCS:D:504,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:C:503,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:504,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:A:703,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,1LT8,,,,,,,
,,,CBH:A:601,valid,,,,,C(CCSCC[C@@H](C(=O)O)N)CC(=O)O,
,,,CBH:B:602,valid,,,,,C(CCSCC[C@@H](C(=O)O)N)CC(=O)O,
,,,CIT:A:701,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:702,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
1.14.13.9,,,,,,,,,
,Family. Representative Entry is ,5MZI,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,FYK:A:505,valid,ic50,=,3.162,nM,c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O,
,,,FYK:A:504,valid,ic50,=,3.162,nM,c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O,
,,,FYK:B:504,valid,ic50,=,3.162,nM,c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O,
,,,FYK:B:503,valid,ic50,=,3.162,nM,c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O,
,,,FYK:A:503,valid,ic50,=,3.162,nM,c1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,5Y7A,,,,,,,
,,,KYN:A:502,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5NA5,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5NAH,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,8RB:A:502,valid,,,,,Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O,
,,,8RB:B:502,valid,,,,,Cc1ccc(nn1)[C@@H](C)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O,
,,5N7T,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,JHY:A:503,valid,ic50,=,6.3,nM,c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O,
,,,JHY:B:503,valid,ic50,=,6.3,nM,c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,5Y66,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,7ZR:A:502,valid,,,,,COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-],
,,,KYN:A:503,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,5NAE,,,,,,,
,,,8R8:B:502,valid,,,,,C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O,
,,,8R8:A:502,valid,,,,,C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)N(C(=O)O3)CCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5NAB,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,8RK:A:503,valid,,,,,Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,8RK:B:503,valid,,,,,Cc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,5NAK,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,KYN:A:504,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,5X6Q,,,,,,,
,,,7ZR:A:503,valid,,,,,COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-],
,,,7ZR:A:502,valid,,,,,COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5MZC,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,8EQ:A:504,valid,ic50,=,5.012,nM,CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,8EQ:B:504,valid,ic50,=,5.012,nM,CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,8EQ:A:505,valid,ic50,=,5.012,nM,CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,8EQ:B:503,valid,ic50,=,5.012,nM,CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,8EQ:A:503,valid,ic50,=,5.012,nM,CCOc1cc2c(cc1Cl)N(C(=O)O2)CCC(=O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,5NAG,,,,,,,
,,,8R5:B:502,valid,,,,,C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O,
,,,8R5:A:502,valid,,,,,C[C@H](c1ccccn1)Oc2cc3c(cc2Cl)c(no3)CCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5MZK,,,,,,,
,,,OK1:B:503,valid,ic50,=,251.2,uM,c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O,
,,,OK1:A:503,valid,ic50,=,251.2,uM,c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O,
,,,OK1:A:504,valid,ic50,=,251.2,uM,c1c2c(cc(c1Cl)OCC3CCC3)OC(=O)N2CCC(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,5X6P,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4J36,,,,,,,
,,,1HR:B:402,valid,Kd,=,0.14,uM,c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4J31,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4J34,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5X6R,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,7ZR:A:402,valid,,,,,COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-],
,,,7ZR:B:402,valid,,,,,COc1ccc(cc1OC)S(=O)(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-],
,,4J33,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5Y77,,,,,,,
,,,KYN:A:502,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,KYN:B:502,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5X68,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.2.1.3,,,,,,,,,
,Family. Representative Entry is ,2F6D,,,,,,,
,,,NA:A:997,Part of Protein,,,,,[Na+],
,,,NA:A:998,Part of Protein,,,,,[Na+],
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,2V8L,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,5.1,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,ZN:A:1107,Part of Protein,,,,,[Zn+2],
,,4BFO,,,,,,,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2V8M,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,SO4:A:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BFN,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,1GAH,,,,,,,
,,,MAN:A:473,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:474,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:475,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:476,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:477,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:478,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:479,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:480,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:481,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:482,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,GLC GLC AC1:D:1,valid,Ki,=,1,pM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,1GAI,,,,,,,
,,,MAN:A:474,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:475,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:476,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:477,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:478,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:479,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:480,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:481,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:482,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:483,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,GLC GLC RY7:D:1,valid,Ki,=,10,nM,,
,,1DOG,,,,,,,
,,,MAN:A:485,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:486,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:487,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:488,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:489,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:490,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:491,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:492,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:493,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:494,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,NOJ:A:495,valid,Ki,=,96,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:A:496,valid,Ki,=,96,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,1AGM,,,,,,,
,,,MAN:A:485,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:486,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:487,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:488,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:489,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:490,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:491,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:492,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:493,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:494,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,GLC GLC AC1:D:1,valid,Kd,~,0.00000000001,M,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:E:1,valid,Kd,~,0.00000000001,M,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,1LF9,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC AC1:C:1,valid,Ki,~,0.00000000001,M,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:D:1,valid,Ki,~,0.00000000001,M,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
1.1.1.49,,,,,,,,,
,Family. Representative Entry is ,1H9A,,,,,,,
,,,NAP:A:799,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2DPG,,,,,,,
,,,NAP:A:799,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1E7Y,,,,,,,
,,,BG6:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,CA:A:508,Part of Protein,,,,,[Ca+2],
,,,NDP:A:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1H94,,,,,,,
,,,NAD:A:799,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6JYU,,,,,,,
,,,NAP:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BH9,,,,,,,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:799,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:811,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6E08,,,,,,,
,,,GOL:L:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:602,invalid,,,,,C(C(CO)O)O,
,,,NAP:L:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.4.22.16,,,,,,,,,
,Family. Representative Entry is ,6CZS,,,,,,,
,,,CL:A:414,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
1.1.1.21,,,,,,,,,
,Family. Representative Entry is ,1MI3,,,,,,,
,,,NAD:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1K8C,,,,,,,
,,,NAP:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1Z9A,,,,,,,
,,,NAD:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1SM9,,,,,,,
,,,NAD:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1R38,,,,,,,
,,,NAP:A:950,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:951,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:952,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:953,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1YE6,,,,,,,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAP:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YE4,,,,,,,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:803,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1MAR,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:351,valid,ic50,=,3,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,6F81,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:1003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1AZ1,,,,,,,
,,,ALR:A:317,valid,,,,,c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O,
,,,ALR:A:318,valid,,,,,c1cc2cccc3c2c(c1)C(=O)N(C3=O)CC(=O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDK,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SBI:A:600,valid,Kd,=,270,nM,c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3,
,,3S3G,,,,,,,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TLT:A:317,valid,ic50,=,2.39,uM,Cc1ccc(cc1)C(=O)c2ccc(n2C)CC(=O)O,
,,4XZI,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,F49:A:402,valid,Kd,=,8894.2,nM,COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O,
,,6F8O,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2PDJ,,,,,,,
,,,393:A:600,valid,Kd,=,86.2,nM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ACQ,,,,,,,
,,,G6P:A:317,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDN,,,,,,,
,,,47D:A:600,valid,Kd,=,3.8,uM,c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDF,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,217,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2PD5,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,37,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2IQD,,,,,,,
,,,LPA:A:351,valid,Ki,=,25.5,uM,C1CSS[C@@H]1CCCCC(=O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3LEN,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,2.56,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2FZ9,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2IPW,,,,,,,
,,,2CL:A:317,valid,Ki,=,1,uM,c1cc(c(c(c1)Cl)CC(=O)O)Cl,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2IKH,,,,,,,
,,,LIT:A:600,valid,ic50,=,4.1,uM,c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-],
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6F7R,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:1003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1X98,,,,,,,
,,,CIT:A:1319,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FIS:A:1320,valid,ic50,=,11,uM,c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:1318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDP,,,,,,,
,,,393:A:600,valid,Kd,=,2.8,uM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDC,,,,,,,
,,,393:A:600,valid,Kd,=,256.4,nM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2IKJ,,,,,,,
,,,393:A:600,valid,Kd,=,0.04,uM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3ONB,,,,,,,
,,,BR:A:700,invalid,,,,,[Br-],
,,,CIT:A:800,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XZH,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,48I:A:402,valid,Kd,=,91.1,nM,c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl,
,,,48I:B:402,valid,Kd,=,91.1,nM,c1cc(c(cc1CN2C(=O)C=CN(C2=O)CC(=O)O)[N+](=O)[O-])Cl,
,,2PDL,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:A:600,valid,Kd,=,588,nM,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,3M64,,,,,,,
,,,393:A:600,valid,Kd,=,1.51,uM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3ONC,,,,,,,
,,,BR:A:700,invalid,,,,,[Br-],
,,,CIT:A:800,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3P2V,,,,,,,
,,,DOY:A:600,valid,Kd,=,1.29,uM,c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O,
,,,DOY:A:700,valid,Kd,=,1.29,uM,c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3BCJ,,,,,,,
,,,CIT:A:319,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FIS:A:320,valid,,,,,c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PEV,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,FID:A:321,valid,Kd,=,6.5,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,LDT:A:320,valid,Kd,=,61,nM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1EL3,,,,,,,
,,,I84:A:320,valid,,,,,Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2IKG,,,,,,,
,,,BTO:A:317,valid,ic50,=,0.53,uM,c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4LAU,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,W8X:A:402,valid,ic50,=,0.71,uM,c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br,
,,2ACS,,,,,,,
,,,CIT:A:317,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1X97,,,,,,,
,,,FIR:A:1320,valid,ic50,=,0.57,uM,c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:1318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4LAZ,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,1WW:A:402,valid,ic50,=,1.9,uM,c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)I,
,,3Q67,,,,,,,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OUJ,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AW8:A:402,valid,ic50,=,0.35,uM,CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)Cl)F)[C@H](N1CC(=O)O)O,
,,2J8T,,,,,,,
,,,FLC:A:1317,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1318,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAP:A:1316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3G5E,,,,,,,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,Q74:A:320,valid,ic50,=,7,nM,c1cc2c(cn(c2nc1)CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F,
,,1ADS,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDQ,,,,,,,
,,,47D:A:600,valid,Kd,=,2,uM,c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1US0,,,,,,,
,,,CIT:A:400,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,ic50,=,30,nM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3LEP,,,,,,,
,,,388:A:600,valid,Kd,=,0.11,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,,BR:A:700,invalid,,,,,[Br-],
,,,CIT:A:800,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1PWM,,,,,,,
,,,CL:A:1321,invalid,,,,,[Cl-],
,,,FID:A:1320,valid,,,,,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:1318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1X96,,,,,,,
,,,CIT:A:319,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:321,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GHS,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2PDW,,,,,,,
,,,FID:A:600,valid,Kd,=,37,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5HA7,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:401,valid,Kd,=,0.21,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,Kd,=,0.21,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,WY1:A:402,valid,Kd,=,0.104,uM,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:B:402,valid,Kd,=,0.104,uM,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,2PDM,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,0.4,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,4QXI,,,,,,,
,,,I98:A:402,valid,ic50,=,1.3,uM,c1cc(c(cc1N)F)CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDI,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,53.2,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2ACU,,,,,,,
,,,CIT:A:317,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4QX4,,,,,,,
,,,3E2:A:403,valid,ic50,=,0.097,uM,c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O,
,,,3E2:A:402,valid,ic50,=,0.097,uM,c1ccc2c(c1)C3=NNC(=S)N=C3N2CC(=O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GHT,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2I16,,,,,,,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:451,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:321,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:319,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4IGS,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,64I:A:402,valid,ic50,=,0.3,uM,c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F,
,,2FZB,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:A:600,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,,TOL:A:700,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,,TOL:A:800,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,,TOL:A:900,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,3LBO,,,,,,,
,,,BR:A:800,invalid,,,,,[Br-],
,,,CIT:A:700,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,Kd,=,21.9,nM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3DN5,,,,,,,
,,,53N:A:600,valid,ic50,=,0.17,uM,c1cc(cc(c1)[N+](=O)[O-])c2ccc(s2)CCC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4LB4,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,1WX:A:402,valid,ic50,=,0.3,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F,
,,3LD5,,,,,,,
,,,BR:A:800,invalid,,,,,[Br-],
,,,CIT:A:700,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,Kd,=,1.19,uM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2F2K,,,,,,,
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TGG:A:351,valid,,,,,C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2DUZ,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,4JIR,,,,,,,
,,,EPR:A:401,valid,ic50,=,0.021,uM,C/C(=Cc1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O,
,,,NAP:A:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LZ3,,,,,,,
,,,388:A:600,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,,BR:A:700,invalid,,,,,[Br-],
,,,CIT:A:800,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2HVO,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2AGT,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:4058,invalid,,,,,[Cl-],
,,,FID:A:320,valid,ic50,=,9,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDG,,,,,,,
,,,47D:A:600,valid,Kd,=,35.5,nM,c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2I17,,,,,,,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:451,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:321,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:319,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2PDX,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,2.38,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,3Q65,,,,,,,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T41,,,,,,,
,,,ID5:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDB,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,97,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,6F82,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:1003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2FZD,,,,,,,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:A:317,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,1Z3N,,,,,,,
,,,3NA:A:320,valid,ic50,=,5,nM,c1ccc2c(c1)c(cn2CC(=O)O)Cc3nc4c(c(cc(c4s3)F)F)F,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3T42,,,,,,,
,,,3T4:A:317,valid,Ki,=,107,nM,c1cc(c(cc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)[N+](=O)[O-])C#N,
,,,CIT:A:318,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ACR,,,,,,,
,,,CAC:A:317,invalid,,,,,C[As](=O)(C)[O-],
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2DUX,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2PF8,,,,,,,
,,,CIT:A:400,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,FID:A:321,valid,Kd,=,6.5,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,LDT:A:320,valid,Kd,=,61,nM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2PDY,,,,,,,
,,,FID:A:600,valid,Kd,=,158,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3M4H,,,,,,,
,,,388:A:600,valid,Kd,=,1.01,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,,BR:A:800,invalid,,,,,[Br-],
,,,CIT:A:700,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3LQG,,,,,,,
,,,388:A:600,valid,Kd,=,0.301,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,,BR:A:700,invalid,,,,,[Br-],
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2FZ8,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2NVC,,,,,,,
,,,ITA:A:600,valid,ic50,=,0.14,uM,c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)OCC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5OUK,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AVT:A:402,valid,ic50,=,0.26,uM,CC1=Nc2c(c3cc(ccc3nc2c4ccc(cc4)OC)F)C(=O)N1CC(=O)O,
,,3GHR,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2PFH,,,,,,,
,,,CIT:A:400,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,FID:A:321,valid,Kd,=,6.5,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,LDT:A:320,valid,Kd,=,61,nM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4LBS,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,4O8:A:402,valid,ic50,=,1.19,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F,
,,3LZ5,,,,,,,
,,,CIT:A:700,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,Kd,=,0.827,uM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3MB9,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,0.106,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,3V36,,,,,,,
,,,0PY:A:318,invalid,,,,,c1ccncc1,
,,,3GR:A:317,invalid,,,,,C([C@H](C=O)O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1Z89,,,,,,,
,,,62P:A:600,valid,Ka,=,1100000,M^-1,Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3LQL,,,,,,,
,,,BR:A:800,invalid,,,,,[Br-],
,,,CIT:A:700,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:600,valid,Kd,=,1.64,uM,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1PWL,,,,,,,
,,,BFI:A:320,valid,,,,,c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4F)Br,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3U2C,,,,,,,
,,,CIT:A:2000,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PEG:A:1800,invalid,,,,,C(COCCO)O,
,,,PEG:A:2010,invalid,,,,,C(COCCO)O,
,,,PG4:A:2011,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG5:A:1803,invalid,,,,,COCCOCCOCCOC,
,,,PG5:A:1805,invalid,,,,,COCCOCCOCCOC,
,,,SUZ:A:2001,valid,ic50,=,0.4,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)[S@](=O)C)F)CC(=O)O,
,,1T40,,,,,,,
,,,ID5:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5OU0,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AV5:A:402,valid,ic50,=,0.21,uM,CC1=Nc2c(c3ccccc3nc2c4ccc(cc4)Cl)C(=O)N1CC(=O)O,
,,3MC5,,,,,,,
,,,393:A:600,valid,Kd,=,1.51,uM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDH,,,,,,,
,,,47D:A:600,valid,Kd,=,227,nM,c1cc2c(cc1Cl)nc(s2)CN3C(=O)C=CN(C3=O)CC(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2IKI,,,,,,,
,,,388:A:600,valid,Kd,=,0.032,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2PDU,,,,,,,
,,,393:A:600,valid,Kd,=,2.5,uM,c1cc(cc(c1)[N+](=O)[O-])CNC(=O)c2ccc(cc2OCC(=O)O)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1Z8A,,,,,,,
,,,62P:A:600,valid,Ka,=,1100000,M^-1,Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GHU,,,,,,,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2IS7,,,,,,,
,,,2CL:A:317,valid,Ki,=,4.4,uM,c1cc(c(c(c1)Cl)CC(=O)O)Cl,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ISF,,,,,,,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PAC:A:317,valid,Ki,=,360,uM,c1ccc(cc1)CC(=O)O,
,,3M0I,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,Kd,=,1.85,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2IQ0,,,,,,,
,,,6NA:A:317,valid,Ki,=,68.6,uM,CCCCCC(=O)O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2DV0,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,4LB3,,,,,,,
,,,M15:A:402,valid,ic50,=,0.19,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)I,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2NVD,,,,,,,
,,,ITB:A:600,valid,ic50,=,0.55,uM,c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O,
,,,ITB:A:700,valid,ic50,=,0.55,uM,c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O,
,,,ITB:A:800,valid,ic50,=,0.55,uM,c1ccc2c(c1)cc(c3c2C(=O)N(S3(=O)=O)CC(=O)O)C(=O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1IEI,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZES:A:351,valid,ic50,=,44,nM,c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc3ccc(cc3F)Br)CC(=O)O,
,,2PD9,,,,,,,
,,,FID:A:600,valid,Kd,=,8.3,nM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2INZ,,,,,,,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OHP:A:317,valid,Ki,=,3.5,uM,c1ccc(c(c1)CC(=O)O)O,
,,4LBR,,,,,,,
,,,4O9:A:402,valid,ic50,=,1.36,uM,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)I)F,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2QXW,,,,,,,
,,,CIT:A:400,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:450,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LDT:A:320,valid,,,,,c1cc(c(cc1F)OCC(=O)O)C(=S)NCc2ccc(cc2F)Br,
,,,NDP:A:318,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1ABN,,,,,,,
,,,NDP:A:351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2HVN,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2HV5,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZST:A:600,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2INE,,,,,,,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PAC:A:317,valid,Ki,=,96,uM,c1ccc(cc1)CC(=O)O,
,,6F84,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:A:1003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V35,,,,,,,
,,,DMF:A:318,invalid,,,,,CN(C)C=O,
,,,DMF:A:319,invalid,,,,,CN(C)C=O,
,,,DMF:A:320,invalid,,,,,CN(C)C=O,
,,,DMF:A:321,invalid,,,,,CN(C)C=O,
,,,DMF:A:322,invalid,,,,,CN(C)C=O,
,,,DMF:A:323,invalid,,,,,CN(C)C=O,
,,,DMF:A:324,invalid,,,,,CN(C)C=O,
,,,DMF:A:325,invalid,,,,,CN(C)C=O,
,,,DMF:A:326,invalid,,,,,CN(C)C=O,
,,,DMF:A:327,invalid,,,,,CN(C)C=O,
,,,DMF:A:328,invalid,,,,,CN(C)C=O,
,,,DMF:A:329,invalid,,,,,CN(C)C=O,
,,,DMF:A:330,invalid,,,,,CN(C)C=O,
,,,DMF:A:331,invalid,,,,,CN(C)C=O,
,,,DMF:A:332,invalid,,,,,CN(C)C=O,
,,,DMF:A:333,invalid,,,,,CN(C)C=O,
,,,DMF:A:334,invalid,,,,,CN(C)C=O,
,,,DMF:A:335,invalid,,,,,CN(C)C=O,
,,,DMF:A:336,invalid,,,,,CN(C)C=O,
,,,DMF:A:337,invalid,,,,,CN(C)C=O,
,,,DMF:A:338,invalid,,,,,CN(C)C=O,
,,,DMF:A:339,invalid,,,,,CN(C)C=O,
,,,DMF:A:340,invalid,,,,,CN(C)C=O,
,,,NAP:A:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NTI:A:317,valid,Ki,=,13.55,uM,CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-],
,Family. Representative Entry is ,1EKO,,,,,,,
,,,I84:A:320,valid,,,,,Cc1ccccc1CC(=O)Nc2cc(c(c(c2)C)S(=O)(=O)NCC(=O)O)C,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1AH3,,,,,,,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:A:320,valid,,,,,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,1AH4,,,,,,,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1AH0,,,,,,,
,,,NAP:A:318,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SBI:A:320,valid,,,,,c1cc2c(cc1F)[C@@]3(CCO2)C(=O)NC(=O)N3,
,Family. Representative Entry is ,2BGS,,,,,,,
,,,BCT:A:1322,invalid,,,,,C(=O)(O)[O-],
,,,NDP:A:1321,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VDG,,,,,,,
,,,1BO:A:1325,invalid,,,,,CCCCO,
,,,1BO:A:1326,invalid,,,,,CCCCO,
,,,NDP:A:1321,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZCM,,,,,,,
,,,NDP DTT:A:400,valid,,,,,S(CC(O)C(O)CS)C1C(C(=O)N)=CN(C2C(O)C(O)C(COP(OP(=O)(OCC3C(O)C(OP(=O)([O-])[O-])C(n4c5ncnc(N)c5nc4)O3)[O-])(=O)[O-])O2)C=C1,
,Family. Representative Entry is ,3KRB,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UNX:A:402,invalid,,,,,*,
,,,UNX:B:402,invalid,,,,,*,
3.2.1.51,,,,,,,,,
,Family. Representative Entry is ,6GN6,,,,,,,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:E:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:F:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:D:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,P6G:C:502,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:508,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PGE:F:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:505,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:507,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:506,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:503,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:506,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,1PE:B:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NA:C:505,invalid,,,,,[Na+],
,,,NA:F:506,invalid,,,,,[Na+],
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:M:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:N:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2XIB,,,,,,,
,,,DFU:A:1472,valid,Kd,=,55.1,nM,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,DFU:B:1472,valid,Kd,=,55.1,nM,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,DFU:C:1472,valid,Kd,=,55.1,nM,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,DFU:D:1472,valid,Kd,=,55.1,nM,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1474,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1474,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1475,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:D:1474,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4PEE,,,,,,,
,,,2OX:B:504,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O,
,,,2OX:D:504,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O,
,,,2OX:A:504,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O,
,,,2OX:C:504,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)c2cn(nn2)c3ccccc3)O)O,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XII,,,,,,,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TA9:A:1002,valid,Kd,=,63.3,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O,
,,,TA9:B:1002,valid,Kd,=,63.3,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cccc-3c2C(=O)c4c3cccc4)O)O)O,
,,,TYR:A:1001,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:1001,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,2WVS,,,,,,,
,,,FUF:A:1449,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O,
,,,FUF:A:1450,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O,
,,,FUF:B:1449,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O,
,,,FUF:C:1449,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O,
,,,FUF:D:1449,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)F)O)O,
,,,SO4:A:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1475,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WVU,,,,,,,
,,,SO4:A:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JFZ:A:2001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O,
,,,JFZ:B:2001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O,
,,,JFZ:C:2001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O,
,,,JFZ:D:2001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2)[N+](=O)[O-])O)O)O,
,,4J28,,,,,,,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,EAT:B:501,valid,Ki,=,2,uM,C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O,
,,,EAT:A:501,valid,Ki,=,2,uM,C[C@H]1[C@H]([C@H]([C@@H](N1)c2[nH]c3ccccc3n2)O)O,
,,6HZY,,,,,,,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,GYZ:A:512,valid,Ki,=,121,uM,C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O,
,,,GYZ:B:607,valid,Ki,=,121,uM,C[C@H]1[C@H]([C@H]([C@@H](/C(=N/OC(=O)Nc2ccccc2)/O1)O)O)O,
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JFT,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,1KN:B:501,valid,Ki,=,3.5,uM,C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O,
,,,1KN:A:501,valid,Ki,=,3.5,uM,C[C@H]1[C@H]([C@H]([C@@H](N1)c2ccc(cc2)OC)O)O,
,,4PCS,,,,,,,
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,2M7:C:503,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O,
,,,2M7:A:505,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O,
,,,2M7:D:503,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O,
,,,2M7:B:505,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#Cc2ccccc2)O)O,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JFU,,,,,,,
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,K80:A:501,valid,,,,,Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O,
,,,K80:B:501,valid,,,,,Cc1ccc(cc1)[C@H]2[C@@H]([C@@H]([C@@H](N2)C)O)O,
,,4JFV,,,,,,,
,,,H57:C:503,valid,Ki,=,0.52,uM,CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H57:B:505,valid,Ki,=,0.52,uM,CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H57:A:508,valid,Ki,=,0.52,uM,CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H57:D:504,valid,Ki,=,0.52,uM,CC1C(C(C(N1)CCNCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PCT,,,,,,,
,,,H76:C:503,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O,
,,,H76:D:504,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O,
,,,H76:A:504,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O,
,,,H76:B:503,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](N1)C#C)O)O,
,,,IMD:B:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JFS,,,,,,,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,16Z:B:501,valid,Ki,=,5.4,uM,C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O,
,,,16Z:A:501,valid,Ki,=,5.4,uM,C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O,
,,,EPE:B:507,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,4JFW,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMD:B:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,H58:A:501,valid,Ki,=,0.46,uM,CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H58:C:501,valid,Ki,=,0.46,uM,CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H58:D:501,valid,Ki,=,0.46,uM,CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,,H58:B:501,valid,Ki,=,0.46,uM,CC1C(C(C(N1)CCNCCCC2=CC(C=C2)[Fe]C3C=CC=C3)O)O,
,,2WVT,,,,,,,
,,,FHN:A:1473,valid,Kd,=,755,nM,C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O,
,,,FHN:B:1474,valid,Kd,=,755,nM,C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1)CO)O)O)O)O,
,,,GOL:A:1474,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1475,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1476,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1477,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1476,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1477,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1478,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1479,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,6O1J,,,,,,,
,,,FUL:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:F:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:D:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:G:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:H:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:E:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,2ZX7,,,,,,,
,,,ZX7:A:901,valid,Ki,=,0.427,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O,
,,,ZX7:B:902,valid,Ki,=,0.427,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O,
,,2ZX6,,,,,,,
,,,ZX6:A:901,valid,Ki,=,0.475,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O,
,,,ZX6:B:902,valid,Ki,=,0.475,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c2cccc3)O)O)O,
,,2ZXD,,,,,,,
,,,ZXD:A:901,valid,Ki,=,6,uM,CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,ZXD:B:902,valid,Ki,=,6,uM,CC(C)[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,2ZX8,,,,,,,
,,,ZX8:A:901,valid,Ki,=,0.441,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O,
,,,ZX8:B:902,valid,Ki,=,0.441,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(=O)c2cc3ccccc3o2)O)O)O,
,,2ZWZ,,,,,,,
,,,ZWZ:A:901,valid,Ki,=,16.3,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O,
,,,ZWZ:B:902,valid,Ki,=,16.3,nM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CN)O)O)O,
1.14.17.3,,,,,,,,,
,Family. Representative Entry is ,1SDW,,,,,,,
,,,CU:A:357,Part of Protein,,,,,[Cu+2],
,,,CU:A:358,Part of Protein,,,,,[Cu+2],
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:366,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:367,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:368,invalid,,,,,C(C(CO)O)O,
,,,IYT:A:701,valid,,,,,C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O,
,,,IYT:A:702,valid,,,,,C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O,
,,,IYT:A:703,valid,,,,,C[C@H]([C@H](C(=O)O)NC(=O)[C@H](Cc1cc(c(c(c1)I)O)I)NC(=O)C)O,
,,,NI:A:359,Part of Protein,,,,,[Ni+2],
,,,OXY:A:360,invalid,,,,,O=O,
,,1OPM,,,,,,,
,,,AZI:A:361,invalid,,,,,[N-]=[N+]=[N-],
,,,CU:A:357,Part of Protein,,,,,[Cu+2],
,,,CU:A:358,Part of Protein,,,,,[Cu+2],
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,IYG:A:801,valid,,,,,CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O,
,,,IYG:A:802,valid,,,,,CC(=O)N[C@@H](Cc1cc(c(c(c1)I)O)I)C(=O)NCC(=O)O,
,,,NI:A:359,Part of Protein,,,,,[Ni+2],
,,5WJA,,,,,,,
,,,NI:A:1009,Part of Protein,,,,,[Ni+2],
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,CU:D:1001,Part of Protein,,,,,[Cu+2],
,,,CU:A:1002,Part of Protein,,,,,[Cu+2],
,,,CU:A:1001,Part of Protein,,,,,[Cu+2],
,,,FLC:D:1002,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
1.3.1.100,,,,,,,,,
,Family. Representative Entry is ,4QNW,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.3.3.1,,,,,,,,,
,Family. Representative Entry is ,1OWB,,,,,,,
,,,NAD:A:3000,valid,Kd,=,1.16,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3001,valid,Kd,=,1.16,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NXG,,,,,,,
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:A:3000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4JAF,,,,,,,
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:B:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4JAG,,,,,,,
,,,OAA:B:1501,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:A:501,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,SO4:B:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2H12,,,,,,,
,,,CMX:A:5001,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,CMX:B:5002,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,CMX:C:5003,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,CMX:D:5004,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,CMX:E:5005,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,CMX:F:5006,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)O)O,
,,,OAA:A:5007,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:B:5008,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:C:5009,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:D:5010,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:E:5011,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:F:5012,valid,Kd,=,21.1,uM,C(C(=O)C(=O)O)C(=O)[O-],
,,,SO4:A:5014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5029,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5035,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5040,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5047,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5052,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5030,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5036,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5039,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5045,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5048,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5053,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5027,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5031,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5041,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5046,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5032,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5042,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5033,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5037,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5043,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5034,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5038,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5044,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:5051,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.3,,,,,,,,,
,Family. Representative Entry is ,3B8I,,,,,,,
,,,GOL:A:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:291,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:291,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:291,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:290,invalid,,,,,C(C(CO)O)O,
,,,MG:A:289,Part of Protein,,,,,[Mg+2],
,,,MG:B:289,Part of Protein,,,,,[Mg+2],
,,,MG:C:289,Part of Protein,,,,,[Mg+2],
,,,MG:D:289,Part of Protein,,,,,[Mg+2],
,,,MG:E:289,Part of Protein,,,,,[Mg+2],
,,,MG:F:289,Part of Protein,,,,,[Mg+2],
,,,OXL:A:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:288,valid,Ki,=,4,uM,C(=O)(C(=O)[O-])[O-],
4.1.1.84,,,,,,,,,
,Family. Representative Entry is ,6C5F,,,,,,,
,,,7L9:B:201,valid,Ki,=,33,uM,c1cc(cc(c1)C(=O)O)c2cc(ncc2C(=O)O)C(=O)O,
,,4Q3F,,,,,,,
,,,TLA:A:201,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:201,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:201,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
1.5.3.-,,,,,,,,,
,Family. Representative Entry is ,7CYX,,,,,,,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4RSL,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.7.7.86,,,,,,,,,
,Family. Representative Entry is ,6MJW,,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,JUJ:A:602,valid,ic50,=,0.0102,uM,c1cc(ncc1c2cc(c(c3c2c4c([nH]3)CCN(C4)C(=O)CO)Cl)Cl)N,
,,6O47,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,LLS:A:604,valid,,,,,Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[C@@H]4c5ccccc5C(=O)O4,
,,,CIT:A:601,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:602,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,AEV:A:605,valid,,,,,CC1=C(C(=O)N(N1)c2[nH]c3ccc(c(c3n2)Cl)Cl)[C@H]4c5ccccc5C(=O)O4,
,,6MJU,,,,,,,
,,,JUM:A:601,valid,ic50,=,0.0275,uM,c1c(c2c3c([nH]c2c(c1Cl)Cl)CCN(C3)C(=O)CO)c4c[nH]nc4,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,4O67,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,1SY:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,,1SY:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,6LRK,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ER6:A:601,valid,,,,,c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O,
,,,ER6:B:601,valid,,,,,c1ccc2c(c1)nc(c3n2ccc3)N4CCC[C@H](C4)C(=O)O,
,,6LRI,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,EQR:B:601,valid,,,,,c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O,
,,,EQR:A:601,valid,,,,,c1ccc2c(c1)N(C3=NC(=O)C(=NN23)CCC(=O)O)CC(=O)O,
,,6LRC,,,,,,,
,,,KHM:A:601,valid,ic50,=,2.08,uM,c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O,
,,,KHM:B:601,valid,ic50,=,2.08,uM,c1ccc(cc1)c2cc(n3c(n2)c(cn3)C(=O)N[C@H]4CCCC[C@H]4C(=O)O)O,
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7BUJ,,,,,,,
,,,GTP 5GP:A:602,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(OP(=O)(OCC2C(O)C(O)C(n3c4NC([NH3+])NC(=O)c4nc3)O2)[O-])C(n2c3NC([NH3+])NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,GTP 5GP:B:602,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(OP(=O)(OCC2C(O)C(O)C(n3c4NC([NH3+])NC(=O)c4nc3)O2)[O-])C(n2c3NC([NH3+])NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:604,invalid,,,,,[Mn+2],
,,,MN:B:603,invalid,,,,,[Mn+2],
,,,MN:B:604,invalid,,,,,[Mn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
6.3.4.16,,,,,,,,,
,Family. Representative Entry is ,6UEL,,,,,,,
,,,ZN:B:1601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1601,Part of Protein,,,,,[Zn+2],
,,,Q5A:A:1602,valid,,,,,Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F,
,,,Q5A:B:1602,valid,,,,,Cc1csc(n1)NC(=O)C2CCN(CC2)C(=O)N(C)Cc3ccc(cc3)F,
5.3.1.3,,,,,,,,,
,Family. Representative Entry is ,1FUI,,,,,,,
,,,FOC:A:594,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,FOC:B:593,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,FOC:C:593,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,FOC:D:594,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,FOC:E:593,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,FOC:F:592,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O,
,,,MN:A:592,Part of Protein,,,,,[Mn+2],
,,,MN:B:592,Part of Protein,,,,,[Mn+2],
,,,MN:C:592,Part of Protein,,,,,[Mn+2],
,,,MN:D:592,Part of Protein,,,,,[Mn+2],
,,,MN:E:592,Part of Protein,,,,,[Mn+2],
,,,SO4:A:593,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:593,invalid,,,,,[O-]S(=O)(=O)[O-],
1.11.1.21,,,,,,,,,
,Family. Representative Entry is ,5CJH,,,,,,,
,,,522:B:801,valid,Kd,=,14.4,uM,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C,
,,,522:A:801,valid,Kd,=,14.4,uM,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)[C@H](C)OO)C)CCC(=O)O)C,
,,,OH:B:802,invalid,,,,,[OH-],
,,,OH:A:802,invalid,,,,,[OH-],
,Family. Representative Entry is ,5SXS,,,,,,,
,,,OXY:B:804,invalid,,,,,O=O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,OXY:B:805,invalid,,,,,O=O,
,,,OXY:A:805,invalid,,,,,O=O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,PO4:A:806,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:808,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,NIZ:B:806,valid,,,,,c1cnccc1C(=O)NN,
,,,AMP:B:809,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MPD:B:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MRD:A:807,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5SXR,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:B:804,invalid,,,,,O=O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,ADP:B:808,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MRD:A:806,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:806,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5SXQ,,,,,,,
,,,OXY:B:804,invalid,,,,,O=O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,OXY:B:805,invalid,,,,,O=O,
,,,OXY:A:805,invalid,,,,,O=O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,NIZ:A:808,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:B:808,valid,,,,,c1cnccc1C(=O)NN,
,,,PO4:B:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:B:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5SXT,,,,,,,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:B:804,invalid,,,,,O=O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,OXY:B:805,invalid,,,,,O=O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,NIZ:A:807,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:B:808,valid,,,,,c1cnccc1C(=O)NN,
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,PO4:B:806,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6B9B,,,,,,,
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,MPD:A:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:B:804,invalid,,,,,O=O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5SYJ,,,,,,,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,MPD:A:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NIZ:A:809,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:B:809,invalid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:A:810,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:B:810,valid,,,,,c1cnccc1C(=O)NN,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:808,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5SYI,,,,,,,
,,,MPD:A:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,PO4:A:808,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:809,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,NIZ:B:805,invalid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:A:805,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:B:805,valid,,,,,c1cnccc1C(=O)NN,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:804,invalid,,,,,O=O,
,,,OXY:B:804,invalid,,,,,O=O,
,Family. Representative Entry is ,3WXO,,,,,,,
,,,NIZ:A:802,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:A:803,valid,,,,,c1cnccc1C(=O)NN,
,,,NIZ:A:804,valid,,,,,c1cnccc1C(=O)NN,
,,,NA:A:807,Part of Protein,,,,,[Na+],
,,,NA:A:808,Part of Protein,,,,,[Na+],
,,,NA:A:806,Part of Protein,,,,,[Na+],
,,,NA:A:805,Part of Protein,,,,,[Na+],
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
1.14.13.2,,,,,,,,,
,Family. Representative Entry is ,1YKJ,,,,,,,
,,,FAD:A:1395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:1396,valid,Kd,=,0.7,uM,c1cc(ccc1C(=O)O)O,
,,,PHB:B:2396,valid,Kd,=,0.7,uM,c1cc(ccc1C(=O)O)O,
,,,PSL:B:714,invalid,,,,,[O-]S(=O)(=O)OS(=O)(=O)[O-],
,,,PSL:B:715,invalid,,,,,[O-]S(=O)(=O)OS(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DOE,,,,,,,
,,,BR:A:397,invalid,,,,,[Br-],
,,,BR:A:398,invalid,,,,,[Br-],
,,,DOB:A:396,valid,,,,,c1cc(c(cc1O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1DOB,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1PDH,,,,,,,
,,,FAS:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1DOC,,,,,,,
,,,BR:A:397,invalid,,,,,[Br-],
,,,BR:A:398,invalid,,,,,[Br-],
,,,BR:A:519,invalid,,,,,[Br-],
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1CJ4,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1PBD,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PAB:A:396,valid,,,,,c1cc(ccc1C(=O)O)N,
,,1PHH,,,,,,,
,,,DHB:A:396,valid,Ki,=,470,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1BF3,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,Kd,=,120,uM,c1cc(ccc1C(=O)O)O,
,,1IUW,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,Kd,=,18,uM,c1cc(ccc1C(=O)O)O,
,,1D7L,,,,,,,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,RFL:A:395,valid,,,,,Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:497,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:498,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CJ3,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1K0I,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:A:397,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,SO3:A:709,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IUX,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,Kd,=,231,uM,c1cc(ccc1C(=O)O)O,
,,1PBB,,,,,,,
,,,DOB:A:396,valid,,,,,c1cc(c(cc1O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1CC4,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,Kd,=,30,uM,c1cc(ccc1C(=O)O)O,
,,1PXC,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1K0J,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:A:398,valid,Ki,=,1.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IUS,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PAB:A:396,valid,,,,,c1cc(ccc1C(=O)O)N,
,,1DOD,,,,,,,
,,,DOB:A:396,valid,,,,,c1cc(c(cc1O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1BGN,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1IUT,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PAB:A:396,valid,Kd,=,24,uM,c1cc(ccc1C(=O)O)N,
,,1CC6,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,Kd,=,30,uM,c1cc(ccc1C(=O)O)O,
,,1PXA,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1IUV,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1IUU,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PAB:A:396,valid,Kd,=,147,uM,c1cc(ccc1C(=O)O)N,
,,6JU1,,,,,,,
,,,P33:A:408,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,BR:A:410,invalid,,,,,[Br-],
,,,BR:A:409,invalid,,,,,[Br-],
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,DHB:A:402,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,1K0L,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO3:A:709,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:710,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PBE,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1BKW,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1PXB,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHB:A:396,valid,,,,,c1cc(ccc1C(=O)O)O,
1.1.1.290,,,,,,,,,
,Family. Representative Entry is ,2O4C,,,,,,,
,,,GOL:B:2647,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLA:B:500,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
1.3.1.33,,,,,,,,,
,Family. Representative Entry is ,6L1G,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6RNW,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6L1H,,,,,,,
,,,NDP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.2.2.16,,,,,,,,,
,Family. Representative Entry is ,1ZOS,,,,,,,
,,,MTM:A:301,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:B:302,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:C:303,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:D:304,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:E:305,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,MTM:F:306,valid,Ki,=,1,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,Family. Representative Entry is ,3LGS,,,,,,,
,,,ADE:A:269,valid,Kd,=,1.7,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:269,valid,Kd,=,1.7,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:269,valid,Kd,=,1.7,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:269,valid,Kd,=,1.7,uM,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:A:2638,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:B:2638,invalid,,,,,C(CO)O,
,,,EDO:B:270,invalid,,,,,C(CO)O,
,,,EDO:B:271,invalid,,,,,C(CO)O,
,,,EDO:C:2638,invalid,,,,,C(CO)O,
,,,EDO:D:2638,invalid,,,,,C(CO)O,
,,,EDO:D:270,invalid,,,,,C(CO)O,
,,,EDO:D:271,invalid,,,,,C(CO)O,
,,,SAH:A:268,valid,Kd,=,24.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:268,valid,Kd,=,24.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:268,valid,Kd,=,24.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:268,valid,Kd,=,24.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2H8G,,,,,,,
,,,ADE:A:701,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:702,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,2QTG,,,,,,,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:B:271,invalid,,,,,C(CO)O,
,,,MTH:A:268,valid,Ki,=,8.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O,
,,,MTH:B:269,valid,Ki,=,8.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O,
,,2QTT,,,,,,,
,,,ADE:A:268,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:B:270,invalid,,,,,C(CO)O,
,,,FMC:B:269,valid,Ki,=,48,uM,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
1.1.1.79,,,,,,,,,
,Family. Representative Entry is ,2GCG,,,,,,,
,,,DGY:A:3001,valid,,,,,C([C@H](C(=O)O)O)O,
,,,DGY:C:3002,valid,,,,,C([C@H](C(=O)O)O)O,
,,,NDP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:2004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
2.1.4.1,,,,,,,,,
,Family. Representative Entry is ,3JDW,,,,,,,
,,,ORN:A:500,valid,Ki,=,253,uM,C(C[C@@H](C(=O)O)N)CN,
,,1JDX,,,,,,,
,,,NVA:A:500,valid,,,,,CCC[C@@H](C(=O)O)N,
,,9JDW,,,,,,,
,,,ABA:A:500,valid,,,,,CC[C@@H](C(=O)O)N,
,,8JDW,,,,,,,
,,,ALA:A:500,valid,,,,,C[C@@H](C(=O)O)N,
,,6JDW,,,,,,,
,,,ABU:A:500,valid,,,,,C(CC(=O)O)CN,
,,4JDW,,,,,,,
,,,ARG:A:500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,7JDW,,,,,,,
,,,DAV:A:500,valid,,,,,C(CC[NH3+])CC(=O)O,
1.1.1.2,,,,,,,,,
,Family. Representative Entry is ,1YKF,,,,,,,
,,,NAP:A:353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:354,Part of Protein,,,,,[Zn+2],
,,,ZN:B:354,Part of Protein,,,,,[Zn+2],
,,,ZN:C:354,Part of Protein,,,,,[Zn+2],
,,,ZN:D:354,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1Y1P,,,,,,,
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,NMN AMP PO4:A:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C=C(C(=O)N)CC=C2)O1)[O-])(OCC1C(O)C(OP(=O)([O-])[O-])C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,NMN AMP PO4:B:2001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C=C(C(=O)N)CC=C2)O1)[O-])(OCC1C(O)C(OP(=O)([O-])[O-])C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ZK4,,,,,,,
,,,AC0:A:1260,valid,,,,,CC(=O)c1ccccc1,
,,,MG:A:1252,Part of Protein,,,,,[Mg+2],
,,,NAP:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1ZK0,,,,,,,
,,,MG:A:1252,Part of Protein,,,,,[Mg+2],
,,,NAI:A:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SS2:A:1260,valid,,,,,C[C@H](c1ccccc1)O,
,,1ZJZ,,,,,,,
,,,MG:A:1252,Part of Protein,,,,,[Mg+2],
,,,NAD:A:1270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SS2:A:1260,valid,,,,,C[C@H](c1ccccc1)O,
,,1ZJY,,,,,,,
,,,MG:A:1252,Part of Protein,,,,,[Mg+2],
,,,NAI:A:1270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SS2:A:1260,valid,,,,,C[C@H](c1ccccc1)O,
,,1ZK1,,,,,,,
,,,AC0:A:260,valid,,,,,CC(=O)c1ccccc1,
,,,MG:A:1252,Part of Protein,,,,,[Mg+2],
,,,NAD:A:270,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1KEV,,,,,,,
,,,NDP:A:352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:A:353,Part of Protein,,,,,[Zn+2],
,,,ZN:B:353,Part of Protein,,,,,[Zn+2],
,,,ZN:C:353,Part of Protein,,,,,[Zn+2],
,,,ZN:D:353,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3CV7,,,,,,,
,,,C2U:A:371,valid,Ki,=,5.9,nM,c1c(cc(c(c1C(=O)O)O)Cl)Cl,
,,,NAP:A:370,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HQT,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3H4G,,,,,,,
,,,FID:A:2401,valid,ic50,=,2.5,uM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,,NAP:A:2350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CWN,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1AE4,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:A:600,valid,Ki,=,3,uM,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,Family. Representative Entry is ,1P0F,,,,,,,
,,,GOL:A:8001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8002,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:4292,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3292,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7BU3,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,ASP:A:401,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5ZEC,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EOH:B:405,invalid,,,,,CCO,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:407,invalid,,,,,CC(C)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,5ZED,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z2X,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1FRB,,,,,,,
,,,ZST:A:351,valid,Kd,=,30,nM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1C9W,,,,,,,
,,,NAP:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.5.3.1,,,,,,,,,
,Family. Representative Entry is ,1ELI,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYC:A:801,valid,Kd,=,1.37,mM,c1cc([nH]c1)C(=O)[O-],
,,,PYC:B:811,valid,Kd,=,1.37,mM,c1cc([nH]c1)C(=O)[O-],
,,,PYC:B:815,valid,Kd,=,1.37,mM,c1cc([nH]c1)C(=O)[O-],
,,1L9D,,,,,,,
,,,CL:A:6402,invalid,,,,,[Cl-],
,,,CL:B:7402,invalid,,,,,[Cl-],
,,,FAD:A:6400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:7400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PYC:A:6401,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,,PYC:B:7401,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,1EL5,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,DMG:A:801,valid,Kd,=,17.4,mM,CN(C)CC(=O)O,
,,,DMG:B:811,valid,Kd,=,17.4,mM,CN(C)CC(=O)O,
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2GF3,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FOA:A:401,valid,,,,,c1cc(oc1)C(=O)O,
,,,FOA:A:402,valid,,,,,c1cc(oc1)C(=O)O,
,,,FOA:B:401,valid,,,,,c1cc(oc1)C(=O)O,
,,,FOA:B:402,valid,,,,,c1cc(oc1)C(=O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1EL7,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MTD:A:801,valid,Kd,=,1.46,mM,C[Te]CC(=O)[O-],
,,,MTD:B:811,valid,Kd,=,1.46,mM,C[Te]CC(=O)[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TE:A:805,invalid,,,,,[TeH2],
,,,TE:B:815,invalid,,,,,[TeH2],
,,1EL9,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MTG:A:801,valid,Kd,=,2.6,mM,CSCC(=O)[O-],
,,,MTG:B:811,valid,Kd,=,2.6,mM,CSCC(=O)[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3M12,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1EL8,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,FAD:A:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MSF:A:801,valid,Kd,=,2.13,mM,C[Se]CC(=O)[O-],
,,,MSF:B:811,valid,Kd,=,2.13,mM,C[Se]CC(=O)[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3QSS,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,FAD:A:400,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MTG:A:405,valid,Kd,=,4.9,mM,CSCC(=O)[O-],
,,,MTG:B:405,valid,Kd,=,4.9,mM,CSCC(=O)[O-],
,,3QSE,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,FAD:A:400,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SAR:A:401,valid,Kd,>,10,mM,CNCC(=O)O,
,,,SAR:B:401,valid,Kd,>,10,mM,CNCC(=O)O,
,Family. Representative Entry is ,3AD8,,,,,,,
,,,FAD:B:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:406,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:965,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYC:B:801,valid,Kd,=,0.69,mM,c1cc([nH]c1)C(=O)[O-],
,,,SO4:A:2500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:100,Part of Protein,,,,,[Zn+2],
,,3AD7,,,,,,,
,,,FAD:B:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:406,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MTG:B:801,valid,Kd,=,3.01,mM,CSCC(=O)[O-],
,,,NAD:A:965,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2560,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2567,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2568,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2569,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2566,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:100,Part of Protein,,,,,[Zn+2],
,,3ADA,,,,,,,
,,,FAD:B:1,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:4,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:965,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO3:B:6244,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:A:2559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2560,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2567,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2566,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:100,Part of Protein,,,,,[Zn+2],
,,1X31,,,,,,,
,,,DMG:B:1005,valid,,,,,CN(C)CC(=O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:1004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:1006,Part of Protein,,,,,[Zn+2],
,,1VRQ,,,,,,,
,,,DMG:B:1005,valid,,,,,CN(C)CC(=O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:1004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FON:A:1003,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,NAD:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:1006,Part of Protein,,,,,[Zn+2],
,,3AD9,,,,,,,
,,,FAD:B:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:406,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:965,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2560,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2567,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2566,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:D:100,Part of Protein,,,,,[Zn+2],
2.3.1.41,,,,,,,,,
,Family. Representative Entry is ,5BNS,,,,,,,
,,,4VM:A:401,valid,ic50,=,0.095,uM,c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO,
,,,4VM:B:401,valid,ic50,=,0.095,uM,c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO,
,,1HND,,,,,,,
,,,COA:A:350,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5BNM,,,,,,,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4VK:A:402,valid,ic50,=,15,uM,c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)c3cccc(c3)CO,
,,1MZS,,,,,,,
,,,669:A:350,valid,ic50,=,7,uM,c1cc(c(c(c1)Cl)COc2ccc3c(c2)cc(n3CCCCCC(=O)O)C(=O)O)Cl,
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HNH,,,,,,,
,,,COA:A:350,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2EFT,,,,,,,
,,,COA:A:962,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MEE:A:963,invalid,,,,,CS,
,,,MEE:B:964,invalid,,,,,CS,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GYO,,,,,,,
,,,COA:A:962,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MEE:A:963,invalid,,,,,CS,
,,,SO4:B:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5BNR,,,,,,,
,,,4VL:A:401,valid,ic50,=,0.53,uM,c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)F,
,,1HNJ,,,,,,,
,,,MLC:A:350,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4Z8D,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4LB:A:401,valid,ic50,=,6,uM,c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl,
,,,4LB:B:401,valid,ic50,=,6,uM,c1ccc(c(c1)COC(=O)NCC2CCC(CC2)C(=O)O)Cl,
,Family. Representative Entry is ,5LD8,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,6U5:A:502,valid,Kd,=,9,nM,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,,6U5:B:502,valid,Kd,=,9,nM,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,5W2P,,,,,,,
,,,TCE:A:508,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,6U5:A:501,valid,,,,,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,,6U5:A:502,valid,,,,,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,4C71,,,,,,,
,,,7RD:A:1423,valid,Ki,=,384,uM,C/C(=C[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C,
,,,7RD:B:1419,valid,Ki,=,384,uM,C/C(=C[C@@]1(C(=C(C(=O)S1)CCCCN=[N+]=[N-])O)C)/C=C,
,,,EDO:A:1420,invalid,,,,,C(CO)O,
,,,EDO:B:1421,invalid,,,,,C(CO)O,
,,,EDO:A:1426,invalid,,,,,C(CO)O,
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:A:1418,invalid,,,,,C(CO)O,
,,,EDO:B:1422,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:A:1425,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,M7U:A:1424,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:B:1420,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,FMT:A:1422,invalid,,,,,C(=O)O,
,,,K:A:1421,Part of Protein,,,,,[K+],
,,,K:B:1418,Part of Protein,,,,,[K+],
,,4C6W,,,,,,,
,,,M7U:B:1418,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:A:1418,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,EPE:B:1419,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PEG:B:1421,invalid,,,,,C(COCCO)O,
,,,PEG:B:1420,invalid,,,,,C(COCCO)O,
,,,NA:B:1422,invalid,,,,,[Na+],
,,,K:B:1417,Part of Protein,,,,,[K+],
,,,K:A:1417,Part of Protein,,,,,[K+],
,,6P9K,,,,,,,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,IPA:A:503,invalid,,,,,CC(C)O,
,,,IPA:A:502,invalid,,,,,CC(C)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,O6G:A:508,valid,,,,,CCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C,
,,4C72,,,,,,,
,,,EDO:A:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1420,invalid,,,,,C(CO)O,
,,,EDO:B:1421,invalid,,,,,C(CO)O,
,,,EDO:A:1428,invalid,,,,,C(CO)O,
,,,EDO:B:1424,invalid,,,,,C(CO)O,
,,,EDO:A:1426,invalid,,,,,C(CO)O,
,,,EDO:B:1419,invalid,,,,,C(CO)O,
,,,EDO:B:1420,invalid,,,,,C(CO)O,
,,,EDO:A:1427,invalid,,,,,C(CO)O,
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:A:1422,invalid,,,,,C(CO)O,
,,,EDO:A:1421,invalid,,,,,C(CO)O,
,,,EDO:B:1418,invalid,,,,,C(CO)O,
,,,EDO:B:1422,invalid,,,,,C(CO)O,
,,,EDO:B:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1424,invalid,,,,,C(CO)O,
,,,EDO:A:1425,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,TLG:A:1429,valid,Ki,=,8.2,uM,C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C,
,,,TLG:B:1425,valid,Ki,=,8.2,uM,C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C,
,,,K:A:1418,Part of Protein,,,,,[K+],
,,,K:B:1417,Part of Protein,,,,,[K+],
,,,M7U:A:1430,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:B:1426,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,5W2S,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,KMG:A:505,valid,,,,,CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C,
,,,IPA:A:502,invalid,,,,,CC(C)O,
,,4C6U,,,,,,,
,,,K:A:1420,Part of Protein,,,,,[K+],
,,,CL:A:1418,invalid,,,,,[Cl-],
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:A:1422,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,TLG:A:1421,valid,Kd,=,25.6,uM,C/C(=C/[C@@]1(C(=C(C(=O)S1)C(=O)C)O)C)/C=C,
,,4C6X,,,,,,,
,,,K:A:1418,Part of Protein,,,,,[K+],
,,,K:B:1417,Part of Protein,,,,,[K+],
,,,EPE:A:1421,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,M7U:B:1419,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:A:1420,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,TLM:A:1419,valid,Ki,=,175.4,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:B:1418,valid,Ki,=,175.4,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,6P9M,,,,,,,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,O6J:A:502,valid,,,,,CCCCCS(=O)(=O)Nc1ccc2c(c1)c(c([nH]2)C#N)C,
,,4C70,,,,,,,
,,,IPA:B:1419,invalid,,,,,CC(C)O,
,,,IPA:A:1421,invalid,,,,,CC(C)O,
,,,IPA:A:1418,invalid,,,,,CC(C)O,
,,,IPA:A:1419,invalid,,,,,CC(C)O,
,,,GOL:A:1420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1417,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1418,invalid,,,,,C(C(CO)O)O,
,,,TLJ:A:1423,valid,Ki,=,305,uM,CCCC1=C([C@@](SC1=O)(C)/C=C(C)/C=C)O,
,,,TLJ:B:1420,valid,Ki,=,305,uM,CCCC1=C([C@@](SC1=O)(C)/C=C(C)/C=C)O,
,,,M7U:A:1424,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:B:1421,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,K:B:1417,Part of Protein,,,,,[K+],
,,,K:A:1422,Part of Protein,,,,,[K+],
,,2WGG,,,,,,,
,,,2PE:A:1419,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:C:1419,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:D:1419,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:E:1419,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:F:1420,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:G:1417,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:H:1419,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE PEG:B:1417,invalid,,,,,,
,,,NA:A:1418,Part of Protein,,,,,[Na+],
,,,NA:B:1420,Part of Protein,,,,,[Na+],
,,,NA:C:1418,Part of Protein,,,,,[Na+],
,,,NA:D:1418,Part of Protein,,,,,[Na+],
,,,NA:E:1418,Part of Protein,,,,,[Na+],
,,,NA:F:1418,Part of Protein,,,,,[Na+],
,,,NA:G:1420,Part of Protein,,,,,[Na+],
,,,NA:H:1418,Part of Protein,,,,,[Na+],
,,,PEG:A:1420,invalid,,,,,C(COCCO)O,
,,,PEG:B:1424,invalid,,,,,C(COCCO)O,
,,,PEG:B:1425,invalid,,,,,C(COCCO)O,
,,,PEG:C:1420,invalid,,,,,C(COCCO)O,
,,,PEG:F:1419,invalid,,,,,C(COCCO)O,
,,,PEG:G:1418,invalid,,,,,C(COCCO)O,
,,,TLM:A:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:B:1419,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:C:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:D:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:E:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:F:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:G:1419,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:H:1417,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,2WGE,,,,,,,
,,,GOL:A:1417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1418,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1419,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1421,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1425,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:1423,invalid,,,,,CC(C)O,
,,,NA:A:1426,Part of Protein,,,,,[Na+],
,,,TLM:A:1424,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,5W2O,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,IPA:A:508,invalid,,,,,CC(C)O,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,CL:A:510,invalid,,,,,[Cl-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,TCE:A:509,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,5W2Q,,,,,,,
,,,TCE:A:508,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,6U5:A:501,valid,,,,,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,,6U5:A:502,valid,,,,,CCCCS(=O)(=O)Nc1ccc2cnn(c2c1)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,6P9L,,,,,,,
,,,JFX:A:501,valid,,,,,Cc1c2cc(ccc2[nH]n1)NS(=O)(=O)CCCCF,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,IPA:A:508,invalid,,,,,CC(C)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,4C73,,,,,,,
,,,EDO:A:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1420,invalid,,,,,C(CO)O,
,,,EDO:B:1419,invalid,,,,,C(CO)O,
,,,EDO:A:1426,invalid,,,,,C(CO)O,
,,,EDO:B:1424,invalid,,,,,C(CO)O,
,,,EDO:B:1420,invalid,,,,,C(CO)O,
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:A:1422,invalid,,,,,C(CO)O,
,,,EDO:A:1421,invalid,,,,,C(CO)O,
,,,EDO:A:1418,invalid,,,,,C(CO)O,
,,,EDO:A:1430,invalid,,,,,C(CO)O,
,,,EDO:A:1429,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:A:1432,invalid,,,,,C(CO)O,
,,,EDO:A:1431,invalid,,,,,C(CO)O,
,,,EDO:B:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1424,invalid,,,,,C(CO)O,
,,,EDO:B:1425,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,M7U:A:1428,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:B:1422,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,TLH:A:1427,valid,Ki,=,12.1,uM,C/C(=C[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C,
,,,TLH:B:1421,valid,Ki,=,12.1,uM,C/C(=C[C@@]1(C(=C(C(=O)S1)C(=O)C(F)(F)F)O)C)/C=C,
,,,K:B:1418,Part of Protein,,,,,[K+],
,,,K:A:1425,Part of Protein,,,,,[K+],
,,4C6Z,,,,,,,
,,,EDO:A:1423,invalid,,,,,C(CO)O,
,,,EDO:B:1419,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:B:1420,invalid,,,,,C(CO)O,
,,,EDO:A:1422,invalid,,,,,C(CO)O,
,,,EDO:A:1418,invalid,,,,,C(CO)O,
,,,EDO:B:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1424,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,M7U:B:1422,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,M7U:A:1421,valid,,,,,CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC[C@H](C)CCCCCCCC)COP(=O)(O)O,
,,,TLE:B:1421,valid,Ki,=,357,uM,CCC1=C([C@@](SC1=O)(C)/C=C(C)/C=C)O,
,,,TLE:A:1420,valid,Ki,=,357,uM,CCC1=C([C@@](SC1=O)(C)/C=C(C)/C=C)O,
,,,K:A:1419,Part of Protein,,,,,[K+],
,,,K:B:1418,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1EBL,,,,,,,
,,,COA:A:1350,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2350,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5NJI,,,,,,,
,,,8Z2:A:1301,valid,,,,,CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6RCX,,,,,,,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,invalid,,,,,[Mn+2],
,,,CAC:B:2201,invalid,,,,,C[As](=O)(C)[O-],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2VBA,,,,,,,
,,,P4T:A:1405,valid,Kd,=,25,uM,Cc1c(sc(n1)Nc2ccccc2)C(=O)C,
,,1FJ4,,,,,,,
,,,TLM:A:500,valid,Kd,=,26,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:B:501,valid,Kd,=,26,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:C:502,valid,Kd,=,26,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:D:503,valid,Kd,=,26,uM,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,2AQ7,,,,,,,
,,,TL5:A:600,valid,ic50,=,500,uM,CC=CC(=C[C@@]1(C(=C(C(=O)S1)C)O)C)C,
,,,TL5:B:601,valid,ic50,=,500,uM,CC=CC(=C[C@@]1(C(=C(C(=O)S1)C)O)C)C,
,,,TL5:D:603,valid,ic50,=,500,uM,CC=CC(=C[C@@]1(C(=C(C(=O)S1)C)O)C)C,
,,2VB8,,,,,,,
,,,CL:A:1406,invalid,,,,,[Cl-],
,,,CL:B:1406,invalid,,,,,[Cl-],
,,,TLM:A:1405,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:B:1405,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:C:1405,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,,TLM:D:1405,valid,,,,,CC1=C([C@@](SC1=O)(C)C=C(/C)C=C)O,
,,2AQB,,,,,,,
,,,TL6:A:600,valid,ic50,=,500,uM,CC1=C([C@@](SC1=O)(C)C=CC=C)O,
,,,TL6:B:601,valid,ic50,=,500,uM,CC1=C([C@@](SC1=O)(C)C=CC=C)O,
,,,TL6:D:602,valid,ic50,=,500,uM,CC1=C([C@@](SC1=O)(C)C=CC=C)O,
,Family. Representative Entry is ,1HZP,,,,,,,
,,,DAO:A:408,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,1U6S,,,,,,,
,,,DCC:A:960,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:B:961,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.5.1.29,,,,,,,,,
,Family. Representative Entry is ,3N2S,,,,,,,
,,,CL:A:250,invalid,,,,,[Cl-],
,,,CL:B:250,invalid,,,,,[Cl-],
,,,FMN:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
6.1.1.2,,,,,,,,,
,Family. Representative Entry is ,1YID,,,,,,,
,,,ATP:B:3000,valid,Kd,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:3001,invalid,,,,,[Mg+2],
,,1YI8,,,,,,,
,,,TRP:C:3000,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2A4M,,,,,,,
,,,TRP:C:500,valid,Kd,=,30,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5DK4,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,5BX:A:404,valid,Ki,=,2,nM,C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)NC,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,1I6K,,,,,,,
,,,GOL:A:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:373,invalid,,,,,C(C(CO)O)O,
,,,NH4:A:400,invalid,,,,,[NH4+],
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYM:A:350,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,1MAU,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:A:1003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:950,invalid,,,,,C(C(CO)O)O,
,,,LTN:A:390,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,,NA:A:499,Part of Protein,,,,,[Na+],
,,1M83,,,,,,,
,,,ATP:A:400,valid,Kd,=,0.4,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,1I6M,,,,,,,
,,,GOL:A:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:373,invalid,,,,,C(C(CO)O)O,
,,,NH4:A:400,invalid,,,,,[NH4+],
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYM:A:350,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,1I6L,,,,,,,
,,,GOL:A:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:373,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:374,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:375,invalid,,,,,C(C(CO)O)O,
,,,NH4:A:400,invalid,,,,,[NH4+],
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYM:A:350,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,2OV4,,,,,,,
,,,ANL:A:950,invalid,,,,,c1ccc(cc1)N,
,,,AQP:A:400,valid,Kd,=,18,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CS:A:900,invalid,,,,,[Cs+],
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1R6U,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,TYM:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,Family. Representative Entry is ,4J75,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,TYM:B:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,,TYM:A:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,Family. Representative Entry is ,1R6T,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,TYM:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,5UJJ,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,TYM:B:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,,TYM:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,2QUI,,,,,,,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LTN:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N,
,,,LTN:B:478,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,2QUJ,,,,,,,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,CL:A:809,invalid,,,,,[Cl-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:B:808,invalid,,,,,[Cl-],
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:814,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:815,invalid,,,,,C(C(CO)O)O,
,,,TRP:B:817,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TYM:A:810,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,2QUH,,,,,,,
,,,TRP:B:817,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:818,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2G36,,,,,,,
,,,SF4:A:400,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TRP:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
2.7.7.65,,,,,,,,,
,Family. Representative Entry is ,4ZVF,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GAV:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4ZVC,,,,,,,
,,,BEZ:A:301,valid,,,,,c1ccc(cc1)C(=O)O,
3.4.24.19,,,,,,,,,
,Family. Representative Entry is ,6BTP,,,,,,,
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SCN:B:301,invalid,,,,,C(#N)[S-],
,,,SCN:B:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:301,invalid,,,,,C(#N)[S-],
,,,SCN:B:302,invalid,,,,,C(#N)[S-],
,,,PRO:A:200,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,E8J:A:304,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)Nc3c(nccn3)OC,
,Family. Representative Entry is ,6BTN,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ALA:A:201,invalid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:201,invalid,,,,,C[C@@H](C(=O)O)N,
,,,E8M:A:304,valid,,,,,CN(C)Cc1nc(on1)[C@@H](CCCC2CCCCC2)CC(=O)NO,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6BSL,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ALA:A:201,invalid,,,,,C[C@@H](C(=O)O)N,
,,,SCN:B:301,invalid,,,,,C(#N)[S-],
,,,SCN:A:301,invalid,,,,,C(#N)[S-],
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EVV:A:304,valid,Ki,=,6.8,pM,CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O,
,Family. Representative Entry is ,6BSM,,,,,,,
,,,E7D:A:303,valid,ic50,=,160,nM,CCCCC[C@H](CN(CO)O)C(=O)NCNC(=O)c1cc2cccc(c2o1)OC,
,,,PRO:A:200,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6BTO,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,E8P:A:304,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](c3ccccc3)C(=O)O,
,,,SCN:A:301,invalid,,,,,C(#N)[S-],
,,,SCN:B:301,invalid,,,,,C(#N)[S-],
,,,EDO:A:305,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6BTQ,,,,,,,
,,,ALA:A:201,invalid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:201,invalid,,,,,C[C@@H](C(=O)O)N,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,SCN:B:301,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,,SCN:A:301,invalid,,,,,C(#N)[S-],
,,,SCN:B:302,invalid,,,,,C(#N)[S-],
,,,E8S:A:305,valid,,,,,COc1ccc(cc1)S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@H](Cc4cccs4)C(=O)NO,
2.1.1.125,,,,,,,,,
,Family. Representative Entry is ,5FWA,,,,,,,
,,,EDO:A:1451,invalid,,,,,C(CO)O,
,,,EDO:A:1450,invalid,,,,,C(CO)O,
,,,EDO:A:1449,invalid,,,,,C(CO)O,
,,,CL:A:1448,invalid,,,,,[Cl-],
,,,CA:A:1452,Part of Protein,,,,,[Ca+2],
,,,CA:A:1453,invalid,,,,,[Ca+2],
,,,PG4:A:1447,invalid,,,,,C(COCCOCCOCCO)O,
,,,J7C:A:1446,valid,ic50,=,16.3,uM,[H]/N=C(N)/NCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5FUL,,,,,,,
,,,CL:A:1450,invalid,,,,,[Cl-],
,,,EDO:A:1451,invalid,,,,,C(CO)O,
,,,EDO:A:1452,invalid,,,,,C(CO)O,
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:A:1448,Part of Protein,,,,,[Ca+2],
,,,SAH:A:1446,valid,ic50,=,18.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PG4:A:1449,invalid,,,,,C(COCCOCCOCCO)O,
,,5FWD,,,,,,,
,,,EDO:A:1451,invalid,,,,,C(CO)O,
,,,EDO:A:1450,invalid,,,,,C(CO)O,
,,,EDO:A:1448,invalid,,,,,C(CO)O,
,,,EDO:A:1453,invalid,,,,,C(CO)O,
,,,EDO:A:1449,invalid,,,,,C(CO)O,
,,,EDO:A:1452,invalid,,,,,C(CO)O,
,,,GJV:A:1446,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCCNC(=[NH2+])N)O)O)N,
,,,CA:A:1455,Part of Protein,,,,,[Ca+2],
,,,CA:A:1460,invalid,,,,,[Ca+2],
,,,PG4:A:1447,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:1454,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5FUB,,,,,,,
,,,EDO:A:1414,invalid,,,,,C(CO)O,
,,,EDO:A:1411,invalid,,,,,C(CO)O,
,,,EDO:A:1412,invalid,,,,,C(CO)O,
,,,EDO:A:1413,invalid,,,,,C(CO)O,
,,,CL:A:1409,invalid,,,,,[Cl-],
,,,NA:A:1415,Part of Protein,,,,,[Na+],
,,,NA:A:1410,Part of Protein,,,,,[Na+],
,,,SAH:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MES:A:417,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5G02,,,,,,,
,,,EDO:A:1410,invalid,,,,,C(CO)O,
,,,EDO:A:1409,invalid,,,,,C(CO)O,
,,,MES:A:414,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:415,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SFG:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,LI:A:1411,Part of Protein,,,,,[Li+],
2.7.1.78,,,,,,,,,
,Family. Representative Entry is ,4QM7,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,DC  DC  DT  DG :C:1,valid,,,,,,
,,4JT2,,,,,,,
,,,CTP:A:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,4JT4,,,,,,,
,,,DTP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,NA:B:203,invalid,,,,,[Na+],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4JST,,,,,,,
,,,UTP:A:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:B:203,invalid,,,,,[Na+],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4JSY,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4OI4,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,ATP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1RRC,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,DG  DT  DC:B:400,valid,,,,,,
,,,DMS:A:800,invalid,,,,,CS(=O)C,
,,1LTQ,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DMS:A:800,invalid,,,,,CS(=O)C,
1.8.3.2,,,,,,,,,
,Family. Representative Entry is ,3O55,,,,,,,
,,,FAD:A:0,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3U2M,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3U2L,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3GWL,,,,,,,
,,,FAD:A:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3T58,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3GWN,,,,,,,
,,,FAD:A:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:335,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3QCP,,,,,,,
,,,FAD:A:1,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3MBG,,,,,,,
,,,ACT:A:206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,ACT:A:700,invalid,,,,,CC(=O)[O-],
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,ACT:B:700,invalid,,,,,CC(=O)[O-],
,,,ACT:C:600,invalid,,,,,CC(=O)[O-],
,,,ACT:C:700,invalid,,,,,CC(=O)[O-],
,,,ACT:C:800,invalid,,,,,CC(=O)[O-],
,,,ACT:C:900,invalid,,,,,CC(=O)[O-],
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:9,Part of Protein,,,,,[Na+],
,,,NA:B:7,Part of Protein,,,,,[Na+],
,,,NA:C:206,Part of Protein,,,,,[Na+],
,,,NA:C:8,Part of Protein,,,,,[Na+],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:208,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:206,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3LLI,,,,,,,
,,,FAD:A:550,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3LLK,,,,,,,
,,,FAD:A:550,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:550,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:550,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FLC:A:547,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3P0K,,,,,,,
,,,ACT:A:267,invalid,,,,,CC(=O)[O-],
,,,FAD:A:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:266,invalid,,,,,c1c[nH+]c[nH]1,
,,3QZY,,,,,,,
,,,FAD:A:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:334,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:261,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:262,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:261,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3U5S,,,,,,,
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.2.1.22,,,,,,,,,
,Family. Representative Entry is ,2YFO,,,,,,,
,,,GAL:A:1756,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:1755,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:1722,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1728,Part of Protein,,,,,[Na+],
,,,NA:A:1729,Part of Protein,,,,,[Na+],
,,,NA:A:1730,Part of Protein,,,,,[Na+],
,,,NA:A:1731,Part of Protein,,,,,[Na+],
,,,NA:A:1732,Part of Protein,,,,,[Na+],
,,,NA:A:1733,Part of Protein,,,,,[Na+],
,,,NA:A:1734,Part of Protein,,,,,[Na+],
,,,NA:A:1735,Part of Protein,,,,,[Na+],
,,,NA:A:1736,Part of Protein,,,,,[Na+],
,,,NA:A:1737,Part of Protein,,,,,[Na+],
,,,NA:A:1738,Part of Protein,,,,,[Na+],
,,,NA:A:1739,Part of Protein,,,,,[Na+],
,,,NA:A:1740,Part of Protein,,,,,[Na+],
,,,NA:A:1741,Part of Protein,,,,,[Na+],
,,,NA:A:1742,Part of Protein,,,,,[Na+],
,,,NA:A:1743,Part of Protein,,,,,[Na+],
,,,NA:A:1744,Part of Protein,,,,,[Na+],
,,,NA:A:1745,Part of Protein,,,,,[Na+],
,,,NA:A:1746,Part of Protein,,,,,[Na+],
,,,NA:A:1747,Part of Protein,,,,,[Na+],
,,,NA:A:1748,Part of Protein,,,,,[Na+],
,,,NA:A:1749,Part of Protein,,,,,[Na+],
,,,NA:A:1750,Part of Protein,,,,,[Na+],
,,,NA:A:1751,Part of Protein,,,,,[Na+],
,,,NA:A:1752,Part of Protein,,,,,[Na+],
,,,NA:A:1753,Part of Protein,,,,,[Na+],
,,,NA:A:1754,Part of Protein,,,,,[Na+],
,,,PGE:A:1723,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1724,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1725,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1726,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:1727,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4XPQ,,,,,,,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,FUL:A:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,TRS:A:1001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4XPS,,,,,,,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,GLA NPO:A:1001,valid,,,,,O=[N+]([O-])c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,4XPP,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,GAL:A:1001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6GVD,,,,,,,
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,FDK:A:606,valid,,,,,C1=C([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GX8,,,,,,,
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,FH2:A:604,valid,,,,,C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5M16,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,7D2:A:604,valid,,,,,C1[C@H]2[C@@]1([C@@H]([C@@H]([C@H]([C@H]2O)O)O)O)CO,
,,5M12,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7D0:A:604,valid,,,,,c1c(cc(cc1F)F)O[C@H]2[C@H]3C[C@]3([C@@H]([C@@H]([C@H]2O)O)O)CO,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,6GTA,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,F9W:A:606,valid,,,,,c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C@@H]([C@H]2O)O)O)CO,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GWF,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,FEQ:A:603,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5E1Q,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,BGC GLA GAL:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLA GAL:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2XN2,,,,,,,
,,,GLA:A:1733,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:1735,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1736,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1737,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1738,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1739,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1740,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1741,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1742,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1743,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1744,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1745,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1746,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1747,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1748,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1749,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1750,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1751,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1752,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1753,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1754,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1755,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1756,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1757,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1759,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1734,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,6PHX,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,GLA GLC FRU:B:1,valid,Kd,=,478.6,uM,,
,,,TLA:A:802,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:801,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,6PHY,,,,,,,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,TLA:A:806,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:805,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,GLA GLA:C:1,valid,,,,,,
,,,GAL GLA:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,6PI0,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,TLA:A:803,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ACT:A:811,invalid,,,,,CC(=O)[O-],
,,,GAL GLA:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,6PHW,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,TLA:A:803,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:804,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,GLC GLA:B:1,valid,,,,,,
,,6PHU,,,,,,,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,TLA:A:803,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6PHV,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,GLA:A:808,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:809,Part of Protein,,,,,[Na+],
,,,TRS:A:810,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3S5Y,,,,,,,
,,,2PE:A:813,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:810,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:811,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:812,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:815,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ACY:B:842,invalid,,,,,CC(=O)O,
,,,ACY:B:843,invalid,,,,,CC(=O)O,
,,,DGJ:A:801,valid,Ki,=,39,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:B:802,valid,Ki,=,39,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,EDO:B:814,invalid,,,,,C(CO)O,
,,,NAG:B:639,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,NAG FUC NAG BMA:G:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP:D:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA XYP MAN:F:1,invalid,,,,,,
,,3GXP,,,,,,,
,,,GLA:A:3681,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:3681,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:694,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:695,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:430,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:498,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:6744,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,3HG5,,,,,,,
,,,ACY:A:841,invalid,,,,,CC(=O)O,
,,,ACY:A:843,invalid,,,,,CC(=O)O,
,,,ACY:B:842,invalid,,,,,CC(=O)O,
,,,ACY:B:844,invalid,,,,,CC(=O)O,
,,,GAL:B:803,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:801,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:824,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:822,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:823,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LX9,,,,,,,
,,,A2G:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:2000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NAG:A:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3HG3,,,,,,,
,,,2PE:A:821,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:822,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:823,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:824,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:825,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG:A:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GLC GLA:G:1,valid,,,,,,
,,,GLC GLA:E:1,valid,,,,,,
,,3HG2,,,,,,,
,,,ACY:A:841,invalid,,,,,CC(=O)O,
,,,ACY:B:842,invalid,,,,,CC(=O)O,
,,,ACY:B:843,invalid,,,,,CC(=O)O,
,,,GAL:B:803,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:A:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:639,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:822,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:823,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3S5Z,,,,,,,
,,,GAL:A:804,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:803,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:801,valid,Ki,=,16,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:802,valid,Ki,=,16,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,NAG:B:639,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:D:1,invalid,,,,,,
,,,NAG FUC NAG BMA:F:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA XYP MAN:E:1,invalid,,,,,,
,,3HG4,,,,,,,
,,,7JZ:A:801,Part of Protein,,,,,C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O,
,,,7JZ:B:802,Part of Protein,,,,,C([C@@H]1[C@@H]([C@@H](C([C@@H](O1)O)(F)F)O)O)O,
,,,ACY:A:842,invalid,,,,,CC(=O)O,
,,,ACY:A:843,invalid,,,,,CC(=O)O,
,,,ACY:B:841,invalid,,,,,CC(=O)O,
,,,ACY:B:844,invalid,,,,,CC(=O)O,
,,,GAL:B:803,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:B:715,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:G:1,Part of Protein,,,,,,
,,,NAG NAG FUC:F:1,Part of Protein,,,,,,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,,,SO4:A:823,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:822,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1UAS,,,,,,,
,,,GLA:A:1501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:1601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1607,invalid,,,,,C(C(CO)O)O,
,,,PT:A:801,invalid,,,,,[Pt+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.25,,,,,,,,,
,Family. Representative Entry is ,2VOT,,,,,,,
,,,BR:A:1886,invalid,,,,,[Br-],
,,,BR:A:1887,invalid,,,,,[Br-],
,,,BR:A:1888,invalid,,,,,[Br-],
,,,BR:A:1889,invalid,,,,,[Br-],
,,,BR:A:1900,invalid,,,,,[Br-],
,,,BR:B:1890,invalid,,,,,[Br-],
,,,BR:B:1891,invalid,,,,,[Br-],
,,,BR:B:1892,invalid,,,,,[Br-],
,,,CL:B:1893,invalid,,,,,[Cl-],
,,,CL:B:1894,invalid,,,,,[Cl-],
,,,CL:B:1896,invalid,,,,,[Cl-],
,,,CL:B:1899,invalid,,,,,[Cl-],
,,,CL:B:1903,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1882,invalid,,,,,C(CO)O,
,,,EDO:A:1883,invalid,,,,,C(CO)O,
,,,EDO:A:1884,invalid,,,,,C(CO)O,
,,,EDO:A:1885,invalid,,,,,C(CO)O,
,,,EDO:A:1890,invalid,,,,,C(CO)O,
,,,EDO:A:1891,invalid,,,,,C(CO)O,
,,,EDO:A:1892,invalid,,,,,C(CO)O,
,,,EDO:A:1893,invalid,,,,,C(CO)O,
,,,EDO:A:1894,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1884,invalid,,,,,C(CO)O,
,,,EDO:B:1885,invalid,,,,,C(CO)O,
,,,EDO:B:1886,invalid,,,,,C(CO)O,
,,,EDO:B:1887,invalid,,,,,C(CO)O,
,,,EDO:B:1888,invalid,,,,,C(CO)O,
,,,EDO:B:1889,invalid,,,,,C(CO)O,
,,,EDO:B:1895,invalid,,,,,C(CO)O,
,,,EDO:B:1897,invalid,,,,,C(CO)O,
,,,EDO:B:1898,invalid,,,,,C(CO)O,
,,,EDO:B:1900,invalid,,,,,C(CO)O,
,,,EDO:B:1901,invalid,,,,,C(CO)O,
,,,EDO:B:1902,invalid,,,,,C(CO)O,
,,,NHV:A:1865,valid,Ki,=,72,nM,c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,NHV:B:1868,valid,Ki,=,72,nM,c1ccc(cc1)NCc2c[n+]3c([nH]2)[C@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,2VQU,,,,,,,
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1885,invalid,,,,,[Br-],
,,,BR:A:1886,invalid,,,,,[Br-],
,,,BR:A:1891,invalid,,,,,[Br-],
,,,BR:A:1895,invalid,,,,,[Br-],
,,,BR:A:1896,invalid,,,,,[Br-],
,,,BR:A:1897,invalid,,,,,[Br-],
,,,BR:B:1888,invalid,,,,,[Br-],
,,,BR:B:1889,invalid,,,,,[Br-],
,,,BR:B:1893,invalid,,,,,[Br-],
,,,BR:B:1896,invalid,,,,,[Br-],
,,,BR:B:1899,invalid,,,,,[Br-],
,,,CL:A:1888,invalid,,,,,[Cl-],
,,,CL:A:1892,invalid,,,,,[Cl-],
,,,CL:A:1893,invalid,,,,,[Cl-],
,,,CL:A:1898,invalid,,,,,[Cl-],
,,,CL:B:1890,invalid,,,,,[Cl-],
,,,CL:B:1891,invalid,,,,,[Cl-],
,,,CL:B:1892,invalid,,,,,[Cl-],
,,,CL:B:1897,invalid,,,,,[Cl-],
,,,EDO:A:1865,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1882,invalid,,,,,C(CO)O,
,,,EDO:A:1883,invalid,,,,,C(CO)O,
,,,EDO:A:1887,invalid,,,,,C(CO)O,
,,,EDO:A:1889,invalid,,,,,C(CO)O,
,,,EDO:A:1894,invalid,,,,,C(CO)O,
,,,EDO:A:1899,invalid,,,,,C(CO)O,
,,,EDO:A:1900,invalid,,,,,C(CO)O,
,,,EDO:A:1901,invalid,,,,,C(CO)O,
,,,EDO:A:1902,invalid,,,,,C(CO)O,
,,,EDO:A:1903,invalid,,,,,C(CO)O,
,,,EDO:A:1904,invalid,,,,,C(CO)O,
,,,EDO:B:1868,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1884,invalid,,,,,C(CO)O,
,,,EDO:B:1885,invalid,,,,,C(CO)O,
,,,EDO:B:1886,invalid,,,,,C(CO)O,
,,,EDO:B:1887,invalid,,,,,C(CO)O,
,,,EDO:B:1894,invalid,,,,,C(CO)O,
,,,EDO:B:1898,invalid,,,,,C(CO)O,
,,,EDO:B:1900,invalid,,,,,C(CO)O,
,,,EDO:B:1901,invalid,,,,,C(CO)O,
,,,EDO:B:1902,invalid,,,,,C(CO)O,
,,,EDO:B:1903,invalid,,,,,C(CO)O,
,,,EDO:B:1904,invalid,,,,,C(CO)O,
,,,EDO:B:1905,invalid,,,,,C(CO)O,
,,,EDO:B:1906,invalid,,,,,C(CO)O,
,,,EDO:B:1907,invalid,,,,,C(CO)O,
,,,NOY:A:1866,valid,Ki,=,975,nM,C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO,
,,,NOY:B:1869,valid,Ki,=,975,nM,C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO,
,,2VR4,,,,,,,
,,,17B:A:1865,valid,Ki,=,2.1,uM,C(CC/N=C1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN,
,,,17B:B:1869,valid,Ki,=,2.1,uM,C(CC/N=C1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)CN,
,,,BR:A:1877,invalid,,,,,[Br-],
,,,BR:A:1878,invalid,,,,,[Br-],
,,,BR:A:1879,invalid,,,,,[Br-],
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1891,invalid,,,,,[Br-],
,,,BR:B:1884,invalid,,,,,[Br-],
,,,BR:B:1885,invalid,,,,,[Br-],
,,,CL:A:1880,invalid,,,,,[Cl-],
,,,CL:A:1887,invalid,,,,,[Cl-],
,,,CL:A:1890,invalid,,,,,[Cl-],
,,,CL:A:1892,invalid,,,,,[Cl-],
,,,CL:A:1897,invalid,,,,,[Cl-],
,,,CL:B:1883,invalid,,,,,[Cl-],
,,,CL:B:1891,invalid,,,,,[Cl-],
,,,CL:B:1894,invalid,,,,,[Cl-],
,,,CL:B:1901,invalid,,,,,[Cl-],
,,,CL:B:1902,invalid,,,,,[Cl-],
,,,CL:B:1904,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1883,invalid,,,,,C(CO)O,
,,,EDO:A:1885,invalid,,,,,C(CO)O,
,,,EDO:A:1886,invalid,,,,,C(CO)O,
,,,EDO:A:1888,invalid,,,,,C(CO)O,
,,,EDO:A:1889,invalid,,,,,C(CO)O,
,,,EDO:A:1893,invalid,,,,,C(CO)O,
,,,EDO:A:1894,invalid,,,,,C(CO)O,
,,,EDO:A:1895,invalid,,,,,C(CO)O,
,,,EDO:A:1896,invalid,,,,,C(CO)O,
,,,EDO:A:1898,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1886,invalid,,,,,C(CO)O,
,,,EDO:B:1887,invalid,,,,,C(CO)O,
,,,EDO:B:1889,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1896,invalid,,,,,C(CO)O,
,,,EDO:B:1897,invalid,,,,,C(CO)O,
,,,EDO:B:1898,invalid,,,,,C(CO)O,
,,,EDO:B:1899,invalid,,,,,C(CO)O,
,,,EDO:B:1900,invalid,,,,,C(CO)O,
,,,EDO:B:1903,invalid,,,,,C(CO)O,
,,,EDO:B:1905,invalid,,,,,C(CO)O,
,,,EDO:B:1906,invalid,,,,,C(CO)O,
,,,EDO:B:1907,invalid,,,,,C(CO)O,
,,,EDO:B:1908,invalid,,,,,C(CO)O,
,,,EDO:B:1909,invalid,,,,,C(CO)O,
,,,EDO:B:1910,invalid,,,,,C(CO)O,
,,2VO5,,,,,,,
,,,BR:A:1874,invalid,,,,,[Br-],
,,,BR:A:1875,invalid,,,,,[Br-],
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1895,invalid,,,,,[Br-],
,,,BR:B:1884,invalid,,,,,[Br-],
,,,BR:B:1885,invalid,,,,,[Br-],
,,,BR:B:1893,invalid,,,,,[Br-],
,,,BR:B:1895,invalid,,,,,[Br-],
,,,CL:A:1876,invalid,,,,,[Cl-],
,,,CL:A:1877,invalid,,,,,[Cl-],
,,,CL:B:1886,invalid,,,,,[Cl-],
,,,CL:B:1887,invalid,,,,,[Cl-],
,,,CL:B:1888,invalid,,,,,[Cl-],
,,,CL:B:1896,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1883,invalid,,,,,C(CO)O,
,,,EDO:A:1885,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1889,invalid,,,,,C(CO)O,
,,,EDO:B:1890,invalid,,,,,C(CO)O,
,,,EDO:B:1891,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,VBZ:A:1865,valid,Ki,=,13,uM,c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O,
,,,VBZ:B:1868,valid,Ki,=,13,uM,c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O,
,,2WBK,,,,,,,
,,,BR:A:1881,invalid,,,,,[Br-],
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1883,invalid,,,,,[Br-],
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1885,invalid,,,,,[Br-],
,,,BR:A:1890,invalid,,,,,[Br-],
,,,BR:B:1881,invalid,,,,,[Br-],
,,,BR:B:1882,invalid,,,,,[Br-],
,,,BR:B:1883,invalid,,,,,[Br-],
,,,BR:B:1884,invalid,,,,,[Br-],
,,,BR:B:1888,invalid,,,,,[Br-],
,,,BR:B:1890,invalid,,,,,[Br-],
,,,CL:A:1867,invalid,,,,,[Cl-],
,,,CL:A:1880,invalid,,,,,[Cl-],
,,,CL:A:1893,invalid,,,,,[Cl-],
,,,CL:A:1894,invalid,,,,,[Cl-],
,,,CL:B:1885,invalid,,,,,[Cl-],
,,,CL:B:1886,invalid,,,,,[Cl-],
,,,CL:B:1893,invalid,,,,,[Cl-],
,,,EDO:A:1865,invalid,,,,,C(CO)O,
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1886,invalid,,,,,C(CO)O,
,,,EDO:A:1887,invalid,,,,,C(CO)O,
,,,EDO:A:1888,invalid,,,,,C(CO)O,
,,,EDO:A:1889,invalid,,,,,C(CO)O,
,,,EDO:A:1891,invalid,,,,,C(CO)O,
,,,EDO:A:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1867,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1887,invalid,,,,,C(CO)O,
,,,EDO:B:1889,invalid,,,,,C(CO)O,
,,,EDO:B:1891,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1894,invalid,,,,,C(CO)O,
,,,EDO:B:1895,invalid,,,,,C(CO)O,
,,,M2F:A:1869,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,M2F:B:1868,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,2VJX,,,,,,,
,,,BR:A:1891,invalid,,,,,[Br-],
,,,BR:A:1892,invalid,,,,,[Br-],
,,,BR:A:1893,invalid,,,,,[Br-],
,,,BR:A:1894,invalid,,,,,[Br-],
,,,BR:A:1899,invalid,,,,,[Br-],
,,,BR:B:1886,invalid,,,,,[Br-],
,,,BR:B:1887,invalid,,,,,[Br-],
,,,CL:A:1895,invalid,,,,,[Cl-],
,,,CL:A:1896,invalid,,,,,[Cl-],
,,,CL:A:1897,invalid,,,,,[Cl-],
,,,CL:A:1898,invalid,,,,,[Cl-],
,,,CL:A:1900,invalid,,,,,[Cl-],
,,,CL:A:1901,invalid,,,,,[Cl-],
,,,CL:B:1888,invalid,,,,,[Cl-],
,,,CL:B:1889,invalid,,,,,[Cl-],
,,,CL:B:1890,invalid,,,,,[Cl-],
,,,CL:B:1891,invalid,,,,,[Cl-],
,,,CL:B:1895,invalid,,,,,[Cl-],
,,,CL:B:1896,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1882,invalid,,,,,C(CO)O,
,,,EDO:A:1883,invalid,,,,,C(CO)O,
,,,EDO:A:1884,invalid,,,,,C(CO)O,
,,,EDO:A:1885,invalid,,,,,C(CO)O,
,,,EDO:A:1886,invalid,,,,,C(CO)O,
,,,EDO:A:1887,invalid,,,,,C(CO)O,
,,,EDO:A:1888,invalid,,,,,C(CO)O,
,,,EDO:A:1889,invalid,,,,,C(CO)O,
,,,EDO:A:1890,invalid,,,,,C(CO)O,
,,,EDO:B:1868,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1884,invalid,,,,,C(CO)O,
,,,EDO:B:1885,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1893,invalid,,,,,C(CO)O,
,,,EDO:B:1894,invalid,,,,,C(CO)O,
,,,IFL:A:1865,valid,Ki,=,11,uM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,,IFL:B:1867,valid,Ki,=,11,uM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,2VQT,,,,,,,
,,,15A:A:1865,valid,Ki,=,1,uM,C(C/N=C1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N,
,,,15A:B:1867,valid,Ki,=,1,uM,C(C/N=C1/[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O)N,
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1883,invalid,,,,,[Br-],
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1885,invalid,,,,,[Br-],
,,,BR:A:1894,invalid,,,,,[Br-],
,,,BR:A:1896,invalid,,,,,[Br-],
,,,BR:B:1885,invalid,,,,,[Br-],
,,,BR:B:1886,invalid,,,,,[Br-],
,,,BR:B:1887,invalid,,,,,[Br-],
,,,BR:B:1894,invalid,,,,,[Br-],
,,,CL:A:1886,invalid,,,,,[Cl-],
,,,CL:A:1887,invalid,,,,,[Cl-],
,,,CL:A:1888,invalid,,,,,[Cl-],
,,,CL:A:1889,invalid,,,,,[Cl-],
,,,CL:A:1892,invalid,,,,,[Cl-],
,,,CL:A:1895,invalid,,,,,[Cl-],
,,,CL:A:1897,invalid,,,,,[Cl-],
,,,CL:A:1898,invalid,,,,,[Cl-],
,,,CL:B:1888,invalid,,,,,[Cl-],
,,,CL:B:1889,invalid,,,,,[Cl-],
,,,CL:B:1890,invalid,,,,,[Cl-],
,,,CL:B:1897,invalid,,,,,[Cl-],
,,,CL:B:1898,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1881,invalid,,,,,C(CO)O,
,,,EDO:A:1890,invalid,,,,,C(CO)O,
,,,EDO:A:1891,invalid,,,,,C(CO)O,
,,,EDO:A:1893,invalid,,,,,C(CO)O,
,,,EDO:B:1868,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1884,invalid,,,,,C(CO)O,
,,,EDO:B:1891,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1893,invalid,,,,,C(CO)O,
,,,EDO:B:1895,invalid,,,,,C(CO)O,
,,,EDO:B:1896,invalid,,,,,C(CO)O,
,,,EDO:B:1899,invalid,,,,,C(CO)O,
,,,EDO:B:1900,invalid,,,,,C(CO)O,
,,,EDO:B:1901,invalid,,,,,C(CO)O,
,,,EDO:B:1902,invalid,,,,,C(CO)O,
,,2VL4,,,,,,,
,,,BR:A:1878,invalid,,,,,[Br-],
,,,BR:A:1879,invalid,,,,,[Br-],
,,,BR:A:1880,invalid,,,,,[Br-],
,,,BR:A:1881,invalid,,,,,[Br-],
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1883,invalid,,,,,[Br-],
,,,BR:A:1886,invalid,,,,,[Br-],
,,,BR:B:1884,invalid,,,,,[Br-],
,,,BR:B:1885,invalid,,,,,[Br-],
,,,BR:B:1886,invalid,,,,,[Br-],
,,,BR:B:1887,invalid,,,,,[Br-],
,,,CL:A:1885,invalid,,,,,[Cl-],
,,,CL:A:1889,invalid,,,,,[Cl-],
,,,CL:B:1889,invalid,,,,,[Cl-],
,,,CL:B:1894,invalid,,,,,[Cl-],
,,,CL:B:1896,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1884,invalid,,,,,C(CO)O,
,,,EDO:A:1887,invalid,,,,,C(CO)O,
,,,EDO:A:1888,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1879,invalid,,,,,C(CO)O,
,,,EDO:B:1880,invalid,,,,,C(CO)O,
,,,EDO:B:1881,invalid,,,,,C(CO)O,
,,,EDO:B:1882,invalid,,,,,C(CO)O,
,,,EDO:B:1883,invalid,,,,,C(CO)O,
,,,EDO:B:1888,invalid,,,,,C(CO)O,
,,,EDO:B:1890,invalid,,,,,C(CO)O,
,,,EDO:B:1891,invalid,,,,,C(CO)O,
,,,EDO:B:1892,invalid,,,,,C(CO)O,
,,,EDO:B:1893,invalid,,,,,C(CO)O,
,,,EDO:B:1895,invalid,,,,,C(CO)O,
,,,MNM:A:1865,valid,Ki,=,975,nM,C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO,
,,,MNM:B:1868,valid,Ki,=,975,nM,C1[C@@H]([C@H]([C@@H]([C@@H](N1)O)O)O)CO,
,,2VMF,,,,,,,
,,,BR:A:1881,invalid,,,,,[Br-],
,,,BR:A:1882,invalid,,,,,[Br-],
,,,BR:A:1883,invalid,,,,,[Br-],
,,,BR:A:1884,invalid,,,,,[Br-],
,,,BR:A:1885,invalid,,,,,[Br-],
,,,BR:A:1886,invalid,,,,,[Br-],
,,,BR:A:1889,invalid,,,,,[Br-],
,,,BR:A:1890,invalid,,,,,[Br-],
,,,BR:A:1894,invalid,,,,,[Br-],
,,,BR:B:1879,invalid,,,,,[Br-],
,,,BR:B:1880,invalid,,,,,[Br-],
,,,BR:B:1881,invalid,,,,,[Br-],
,,,BR:B:1882,invalid,,,,,[Br-],
,,,BR:B:1887,invalid,,,,,[Br-],
,,,BR:B:1891,invalid,,,,,[Br-],
,,,BR:B:1901,invalid,,,,,[Br-],
,,,CL:A:1887,invalid,,,,,[Cl-],
,,,CL:A:1891,invalid,,,,,[Cl-],
,,,CL:A:1897,invalid,,,,,[Cl-],
,,,CL:A:1898,invalid,,,,,[Cl-],
,,,CL:B:1883,invalid,,,,,[Cl-],
,,,CL:B:1884,invalid,,,,,[Cl-],
,,,CL:B:1885,invalid,,,,,[Cl-],
,,,CL:B:1886,invalid,,,,,[Cl-],
,,,CL:B:1892,invalid,,,,,[Cl-],
,,,CL:B:1893,invalid,,,,,[Cl-],
,,,CL:B:1897,invalid,,,,,[Cl-],
,,,EDO:A:1866,invalid,,,,,C(CO)O,
,,,EDO:A:1867,invalid,,,,,C(CO)O,
,,,EDO:A:1868,invalid,,,,,C(CO)O,
,,,EDO:A:1869,invalid,,,,,C(CO)O,
,,,EDO:A:1870,invalid,,,,,C(CO)O,
,,,EDO:A:1871,invalid,,,,,C(CO)O,
,,,EDO:A:1872,invalid,,,,,C(CO)O,
,,,EDO:A:1873,invalid,,,,,C(CO)O,
,,,EDO:A:1874,invalid,,,,,C(CO)O,
,,,EDO:A:1875,invalid,,,,,C(CO)O,
,,,EDO:A:1876,invalid,,,,,C(CO)O,
,,,EDO:A:1877,invalid,,,,,C(CO)O,
,,,EDO:A:1878,invalid,,,,,C(CO)O,
,,,EDO:A:1879,invalid,,,,,C(CO)O,
,,,EDO:A:1880,invalid,,,,,C(CO)O,
,,,EDO:A:1888,invalid,,,,,C(CO)O,
,,,EDO:A:1892,invalid,,,,,C(CO)O,
,,,EDO:A:1893,invalid,,,,,C(CO)O,
,,,EDO:A:1895,invalid,,,,,C(CO)O,
,,,EDO:A:1896,invalid,,,,,C(CO)O,
,,,EDO:A:1899,invalid,,,,,C(CO)O,
,,,EDO:B:1869,invalid,,,,,C(CO)O,
,,,EDO:B:1870,invalid,,,,,C(CO)O,
,,,EDO:B:1871,invalid,,,,,C(CO)O,
,,,EDO:B:1872,invalid,,,,,C(CO)O,
,,,EDO:B:1873,invalid,,,,,C(CO)O,
,,,EDO:B:1874,invalid,,,,,C(CO)O,
,,,EDO:B:1875,invalid,,,,,C(CO)O,
,,,EDO:B:1876,invalid,,,,,C(CO)O,
,,,EDO:B:1877,invalid,,,,,C(CO)O,
,,,EDO:B:1878,invalid,,,,,C(CO)O,
,,,EDO:B:1888,invalid,,,,,C(CO)O,
,,,EDO:B:1889,invalid,,,,,C(CO)O,
,,,EDO:B:1890,invalid,,,,,C(CO)O,
,,,EDO:B:1894,invalid,,,,,C(CO)O,
,,,EDO:B:1895,invalid,,,,,C(CO)O,
,,,EDO:B:1896,invalid,,,,,C(CO)O,
,,,EDO:B:1898,invalid,,,,,C(CO)O,
,,,EDO:B:1899,invalid,,,,,C(CO)O,
,,,EDO:B:1900,invalid,,,,,C(CO)O,
,,,MVL:A:1865,valid,Ki,=,1400,nM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:B:1868,valid,Ki,=,1400,nM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,Family. Representative Entry is ,4LYQ,,,,,,,
,,,EPE:A:506,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MAN BMA BMA:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,4NRR,,,,,,,
,,,FRU BMA:D:1,valid,,,,,O(C1C(O)C(O)(CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU BMA:C:1,valid,,,,,O(C1C(O)C(O)(CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4JIE,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,BMA:A:508,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,EPE:A:507,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
2.1.1.98,,,,,,,,,
,Family. Representative Entry is ,1VCE,,,,,,,
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1WNG,,,,,,,
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
1.2.1.3,,,,,,,,,
,Family. Representative Entry is ,4I3V,,,,,,,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,POA:E:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:A:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:G:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:H:501,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:B:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:C:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:D:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,,POA:F:502,invalid,,,,,C(C=O)P(=O)(O)O,
,,4I3W,,,,,,,
,,,G3H:E:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:H:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:G:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:A:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:F:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:C:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:D:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:B:501,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,NAD:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4I3X,,,,,,,
,,,PAE:A:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:F:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:C:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:D:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:G:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:H:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:E:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,PAE:B:502,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6FK3,,,,,,,
,,,PEG:B:702,invalid,,,,,C(COCCO)O,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:A:601,invalid,,,,,C(COCCO)O,
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,PPI:B:705,valid,,,,,CCC(=O)O,
,,,PPI:A:604,valid,,,,,CCC(=O)O,
,,,MPO:B:703,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,6FKU,,,,,,,
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:705,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:703,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:707,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:701,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:704,invalid,,,,,C(COCCOCCO)O,
,,,1PE:B:604,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:709,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NAP:B:605,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:708,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,PEG:B:601,invalid,,,,,C(COCCO)O,
,,,PEG:B:606,invalid,,,,,C(COCCO)O,
,,,PG4:A:706,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2Y5D,,,,,,,
,,,GOL:A:1523,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1531,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1525,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1533,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P6G:A:1524,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1532,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2VRO,,,,,,,
,,,ETE:A:1524,invalid,,,,,COCCOCCOCCOCCO,
,,,NDP:A:1523,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1531,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,P6G:B:1532,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5L13,,,,,,,
,,,GAI:D:603,invalid,,,,,C(=N)(N)N,
,,,GAI:H:602,invalid,,,,,C(=N)(N)N,
,,,GAI:D:604,invalid,,,,,C(=N)(N)N,
,,,GAI:G:605,invalid,,,,,C(=N)(N)N,
,,,GAI:E:604,invalid,,,,,C(=N)(N)N,
,,,GAI:B:604,invalid,,,,,C(=N)(N)N,
,,,GAI:G:606,invalid,,,,,C(=N)(N)N,
,,,GAI:C:602,invalid,,,,,C(=N)(N)N,
,,,GAI:E:605,invalid,,,,,C(=N)(N)N,
,,,GAI:F:604,invalid,,,,,C(=N)(N)N,
,,,GAI:D:605,invalid,,,,,C(=N)(N)N,
,,,GAI:A:604,invalid,,,,,C(=N)(N)N,
,,,GAI:D:606,invalid,,,,,C(=N)(N)N,
,,,GAI:E:606,invalid,,,,,C(=N)(N)N,
,,,GAI:A:605,invalid,,,,,C(=N)(N)N,
,,,GAI:G:607,invalid,,,,,C(=N)(N)N,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:G:602,invalid,,,,,C(CO)O,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:G:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:F:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:E:603,invalid,,,,,C(CO)O,
,,,EDO:G:604,invalid,,,,,C(CO)O,
,,,6ZE:B:605,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:F:605,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:C:603,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:G:608,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:E:607,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:H:603,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:A:606,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,,6ZE:D:607,valid,Ki,=,19,nM,CCCC1=C(c2cc3c(c(oc3cc2OC1=O)C)C)C,
,,1O01,,,,,,,
,,,CRD:B:4512,valid,,,,,CC=CC=O,
,,,CRD:C:4513,valid,,,,,CC=CC=O,
,,,CRD:D:4514,valid,,,,,CC=CC=O,
,,,CRD:E:4515,valid,,,,,CC=CC=O,
,,,CRD:F:4516,valid,,,,,CC=CC=O,
,,,CRD:G:4517,valid,,,,,CC=CC=O,
,,,EDO:C:4902,invalid,,,,,C(CO)O,
,,,EDO:C:4903,invalid,,,,,C(CO)O,
,,,EDO:D:4901,invalid,,,,,C(CO)O,
,,,EDO:D:4904,invalid,,,,,C(CO)O,
,,,EDO:E:4905,invalid,,,,,C(CO)O,
,,,EDO:F:4906,invalid,,,,,C(CO)O,
,,,EDO:G:4907,invalid,,,,,C(CO)O,
,,,EDO:H:4908,invalid,,,,,C(CO)O,
,,,GAI:A:4801,invalid,,,,,C(=N)(N)N,
,,,GAI:B:4802,invalid,,,,,C(=N)(N)N,
,,,GAI:C:4803,invalid,,,,,C(=N)(N)N,
,,,GAI:D:4804,invalid,,,,,C(=N)(N)N,
,,,GAI:E:4805,invalid,,,,,C(=N)(N)N,
,,,GAI:F:4806,invalid,,,,,C(=N)(N)N,
,,,GAI:G:4807,invalid,,,,,C(=N)(N)N,
,,,GAI:H:4808,invalid,,,,,C(=N)(N)N,
,,,MG:A:4601,invalid,,,,,[Mg+2],
,,,MG:B:4602,invalid,,,,,[Mg+2],
,,,MG:C:4603,invalid,,,,,[Mg+2],
,,,MG:D:4604,invalid,,,,,[Mg+2],
,,,MG:E:4605,invalid,,,,,[Mg+2],
,,,MG:F:4606,invalid,,,,,[Mg+2],
,,,MG:G:4607,invalid,,,,,[Mg+2],
,,,MG:H:4608,invalid,,,,,[Mg+2],
,,,NA:A:4701,Part of Protein,,,,,[Na+],
,,,NA:B:4702,Part of Protein,,,,,[Na+],
,,,NA:C:4703,Part of Protein,,,,,[Na+],
,,,NA:D:4704,Part of Protein,,,,,[Na+],
,,,NA:E:4705,Part of Protein,,,,,[Na+],
,,,NA:F:4706,Part of Protein,,,,,[Na+],
,,,NA:G:4707,Part of Protein,,,,,[Na+],
,,,NA:H:4708,Part of Protein,,,,,[Na+],
,,,NAD:A:5501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:5502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:5503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:5504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:5506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:5507,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:5508,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2ONM,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:512,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:C:803,invalid,,,,,C(CO)O,
,,,EDO:C:903,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:D:904,invalid,,,,,C(CO)O,
,,,EDO:E:705,invalid,,,,,C(CO)O,
,,,EDO:E:805,invalid,,,,,C(CO)O,
,,,EDO:E:905,invalid,,,,,C(CO)O,
,,,EDO:F:706,invalid,,,,,C(CO)O,
,,,EDO:F:707,invalid,,,,,C(CO)O,
,,,EDO:F:806,invalid,,,,,C(CO)O,
,,,EDO:F:906,invalid,,,,,C(CO)O,
,,,EDO:G:807,invalid,,,,,C(CO)O,
,,,EDO:G:907,invalid,,,,,C(CO)O,
,,,EDO:H:708,invalid,,,,,C(CO)O,
,,,EDO:H:808,invalid,,,,,C(CO)O,
,,,EDO:H:908,invalid,,,,,C(CO)O,
,,,EDO:I:809,invalid,,,,,C(CO)O,
,,,EDO:I:909,invalid,,,,,C(CO)O,
,,,EDO:K:911,invalid,,,,,C(CO)O,
,,,EDO:L:712,invalid,,,,,C(CO)O,
,,,EDO:L:912,invalid,,,,,C(CO)O,
,,,GAI:A:902,invalid,,,,,C(=N)(N)N,
,,,GAI:D:905,invalid,,,,,C(=N)(N)N,
,,,GAI:E:906,invalid,,,,,C(=N)(N)N,
,,,GAI:E:907,invalid,,,,,C(=N)(N)N,
,,,GAI:G:5009,invalid,,,,,C(=N)(N)N,
,,,GAI:G:5010,invalid,,,,,C(=N)(N)N,
,,,GAI:H:909,invalid,,,,,C(=N)(N)N,
,,,GAI:I:910,invalid,,,,,C(=N)(N)N,
,,,GAI:J:611,invalid,,,,,C(=N)(N)N,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:5003,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:C:5004,Part of Protein,,,,,[Na+],
,,,NA:C:603,Part of Protein,,,,,[Na+],
,,,NA:D:604,Part of Protein,,,,,[Na+],
,,,NA:E:605,Part of Protein,,,,,[Na+],
,,,NA:F:5007,Part of Protein,,,,,[Na+],
,,,NA:F:606,Part of Protein,,,,,[Na+],
,,,NA:G:5008,Part of Protein,,,,,[Na+],
,,,NA:G:607,Part of Protein,,,,,[Na+],
,,,NA:H:608,Part of Protein,,,,,[Na+],
,,,NA:I:609,Part of Protein,,,,,[Na+],
,,,NA:J:610,Part of Protein,,,,,[Na+],
,,,NA:K:5012,Part of Protein,,,,,[Na+],
,,,NA:K:611,Part of Protein,,,,,[Na+],
,,,NA:L:612,Part of Protein,,,,,[Na+],
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:507,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:508,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2VLE,,,,,,,
,,,DZN:A:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:B:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:C:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:D:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:E:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:F:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:G:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,,DZN:H:1501,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O,
,,3INL,,,,,,,
,,,BXB:A:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:B:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:C:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:D:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:E:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:F:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:G:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:H:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:C:701,invalid,,,,,C(CO)O,
,,,EDO:C:702,invalid,,,,,C(CO)O,
,,,EDO:C:703,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:E:501,invalid,,,,,C(CO)O,
,,,EDO:E:701,invalid,,,,,C(CO)O,
,,,EDO:E:702,invalid,,,,,C(CO)O,
,,,EDO:E:703,invalid,,,,,C(CO)O,
,,,EDO:E:704,invalid,,,,,C(CO)O,
,,,EDO:F:501,invalid,,,,,C(CO)O,
,,,EDO:F:701,invalid,,,,,C(CO)O,
,,,EDO:F:703,invalid,,,,,C(CO)O,
,,,EDO:G:501,invalid,,,,,C(CO)O,
,,,EDO:G:701,invalid,,,,,C(CO)O,
,,,EDO:G:702,invalid,,,,,C(CO)O,
,,,EDO:G:704,invalid,,,,,C(CO)O,
,,,EDO:G:705,invalid,,,,,C(CO)O,
,,,EDO:H:701,invalid,,,,,C(CO)O,
,,,EDO:H:703,invalid,,,,,C(CO)O,
,,,EDO:H:704,invalid,,,,,C(CO)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,3SZ9,,,,,,,
,,,EDO:A:6901,invalid,,,,,C(CO)O,
,,,EDO:A:6921,invalid,,,,,C(CO)O,
,,,EDO:B:6911,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:C:6901,invalid,,,,,C(CO)O,
,,,EDO:C:6911,invalid,,,,,C(CO)O,
,,,EDO:C:6921,invalid,,,,,C(CO)O,
,,,EDO:C:6961,invalid,,,,,C(CO)O,
,,,EDO:D:6901,invalid,,,,,C(CO)O,
,,,EDO:E:6901,invalid,,,,,C(CO)O,
,,,EDO:E:6921,invalid,,,,,C(CO)O,
,,,EDO:F:501,invalid,,,,,C(CO)O,
,,,EDO:F:6901,invalid,,,,,C(CO)O,
,,,EDO:F:6911,invalid,,,,,C(CO)O,
,,,EDO:F:6921,invalid,,,,,C(CO)O,
,,,EDO:F:6951,invalid,,,,,C(CO)O,
,,,EDO:F:6961,invalid,,,,,C(CO)O,
,,,EDO:G:6921,invalid,,,,,C(CO)O,
,,,EDO:H:6901,invalid,,,,,C(CO)O,
,,,EDO:H:6911,invalid,,,,,C(CO)O,
,,,EDO:H:6921,invalid,,,,,C(CO)O,
,,,GAI:A:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:A:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:C:502,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6821,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6821,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6811,invalid,,,,,C(=N)(N)N,
,,,I3E:A:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:B:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:C:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:D:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:E:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:F:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:G:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,I3E:H:8001,valid,,,,,CCc1ccc(cc1)C(=O)CC,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,4FR8,,,,,,,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BTB:G:1004,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:C:1002,invalid,,,,,[Mg+2],
,,,MG:D:1002,invalid,,,,,[Mg+2],
,,,MG:E:1002,invalid,,,,,[Mg+2],
,,,MG:F:1002,invalid,,,,,[Mg+2],
,,,MG:G:1002,invalid,,,,,[Mg+2],
,,,MG:H:1002,invalid,,,,,[Mg+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:B:1004,Part of Protein,,,,,[Na+],
,,,NA:C:1004,Part of Protein,,,,,[Na+],
,,,NA:D:1004,Part of Protein,,,,,[Na+],
,,,NA:E:1003,Part of Protein,,,,,[Na+],
,,,NA:F:1003,Part of Protein,,,,,[Na+],
,,,NA:G:1003,Part of Protein,,,,,[Na+],
,,,NA:H:1003,Part of Protein,,,,,[Na+],
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TNG:A:601,valid,,,,,C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-],
,,,URE:A:604,invalid,,,,,C(=O)(N)N,
,,,URE:B:1003,invalid,,,,,C(=O)(N)N,
,,,URE:C:1003,invalid,,,,,C(=O)(N)N,
,,,URE:C:1005,invalid,,,,,C(=O)(N)N,
,,,URE:D:1003,invalid,,,,,C(=O)(N)N,
,,,URE:E:1004,invalid,,,,,C(=O)(N)N,
,,1O04,,,,,,,
,,,EDO:A:6901,invalid,,,,,C(CO)O,
,,,EDO:A:6911,invalid,,,,,C(CO)O,
,,,EDO:A:6921,invalid,,,,,C(CO)O,
,,,EDO:A:6941,invalid,,,,,C(CO)O,
,,,EDO:B:6902,invalid,,,,,C(CO)O,
,,,EDO:B:6912,invalid,,,,,C(CO)O,
,,,EDO:B:6922,invalid,,,,,C(CO)O,
,,,EDO:B:6942,invalid,,,,,C(CO)O,
,,,EDO:C:6903,invalid,,,,,C(CO)O,
,,,EDO:C:6913,invalid,,,,,C(CO)O,
,,,EDO:C:6923,invalid,,,,,C(CO)O,
,,,EDO:C:6943,invalid,,,,,C(CO)O,
,,,EDO:C:6963,invalid,,,,,C(CO)O,
,,,EDO:D:6904,invalid,,,,,C(CO)O,
,,,EDO:D:6914,invalid,,,,,C(CO)O,
,,,EDO:D:6944,invalid,,,,,C(CO)O,
,,,EDO:E:6905,invalid,,,,,C(CO)O,
,,,EDO:E:6915,invalid,,,,,C(CO)O,
,,,EDO:E:6925,invalid,,,,,C(CO)O,
,,,EDO:F:6906,invalid,,,,,C(CO)O,
,,,EDO:F:6916,invalid,,,,,C(CO)O,
,,,EDO:F:6926,invalid,,,,,C(CO)O,
,,,EDO:F:6946,invalid,,,,,C(CO)O,
,,,EDO:F:6956,invalid,,,,,C(CO)O,
,,,EDO:F:6966,invalid,,,,,C(CO)O,
,,,EDO:G:6907,invalid,,,,,C(CO)O,
,,,EDO:G:6917,invalid,,,,,C(CO)O,
,,,EDO:G:6927,invalid,,,,,C(CO)O,
,,,EDO:H:6908,invalid,,,,,C(CO)O,
,,,EDO:H:6918,invalid,,,,,C(CO)O,
,,,EDO:H:6928,invalid,,,,,C(CO)O,
,,,EDO:H:6948,invalid,,,,,C(CO)O,
,,,GAI:A:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:A:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6802,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6812,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6803,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6813,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6823,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6804,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6814,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6805,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6815,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6806,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6816,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6826,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6807,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6817,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6808,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6818,invalid,,,,,C(=N)(N)N,
,,,MG:A:6701,invalid,,,,,[Mg+2],
,,,MG:B:6702,invalid,,,,,[Mg+2],
,,,MG:C:6703,invalid,,,,,[Mg+2],
,,,MG:D:6704,invalid,,,,,[Mg+2],
,,,MG:E:6705,invalid,,,,,[Mg+2],
,,,MG:F:6706,invalid,,,,,[Mg+2],
,,,MG:G:6707,invalid,,,,,[Mg+2],
,,,MG:H:6708,invalid,,,,,[Mg+2],
,,,NA:A:6601,Part of Protein,,,,,[Na+],
,,,NA:B:6602,Part of Protein,,,,,[Na+],
,,,NA:C:6603,Part of Protein,,,,,[Na+],
,,,NA:D:6604,Part of Protein,,,,,[Na+],
,,,NA:E:6605,Part of Protein,,,,,[Na+],
,,,NA:F:6606,Part of Protein,,,,,[Na+],
,,,NA:G:6607,Part of Protein,,,,,[Na+],
,,,NA:H:6608,Part of Protein,,,,,[Na+],
,,,NAD:A:6501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:6502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:6503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:6504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:6505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:6507,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:6508,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3INJ,,,,,,,
,,,BXB:A:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:B:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:C:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:D:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:E:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:F:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:G:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,BXB:H:1001,valid,,,,,c1cc(c(c(c1)Cl)C(=O)NCc2ccc3c(c2)OCO3)Cl,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:C:703,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,EDO:E:501,invalid,,,,,C(CO)O,
,,,EDO:E:701,invalid,,,,,C(CO)O,
,,,EDO:E:702,invalid,,,,,C(CO)O,
,,,EDO:F:501,invalid,,,,,C(CO)O,
,,,EDO:F:702,invalid,,,,,C(CO)O,
,,,EDO:G:701,invalid,,,,,C(CO)O,
,,,EDO:H:701,invalid,,,,,C(CO)O,
,,,GAI:A:801,invalid,,,,,C(=N)(N)N,
,,,GAI:B:801,invalid,,,,,C(=N)(N)N,
,,,GAI:C:801,invalid,,,,,C(=N)(N)N,
,,,GAI:D:801,invalid,,,,,C(=N)(N)N,
,,,GAI:E:801,invalid,,,,,C(=N)(N)N,
,,,GAI:F:801,invalid,,,,,C(=N)(N)N,
,,,GAI:G:801,invalid,,,,,C(=N)(N)N,
,,,GAI:G:802,invalid,,,,,C(=N)(N)N,
,,,GAI:H:801,invalid,,,,,C(=N)(N)N,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,2ONP,,,,,,,
,,,EDO:A:6901,invalid,,,,,C(CO)O,
,,,EDO:A:6911,invalid,,,,,C(CO)O,
,,,EDO:A:6921,invalid,,,,,C(CO)O,
,,,EDO:A:6941,invalid,,,,,C(CO)O,
,,,EDO:A:6951,invalid,,,,,C(CO)O,
,,,EDO:B:6902,invalid,,,,,C(CO)O,
,,,EDO:B:6912,invalid,,,,,C(CO)O,
,,,EDO:B:6942,invalid,,,,,C(CO)O,
,,,EDO:B:6952,invalid,,,,,C(CO)O,
,,,EDO:B:6962,invalid,,,,,C(CO)O,
,,,EDO:C:6903,invalid,,,,,C(CO)O,
,,,EDO:C:6913,invalid,,,,,C(CO)O,
,,,EDO:C:6923,invalid,,,,,C(CO)O,
,,,EDO:C:6943,invalid,,,,,C(CO)O,
,,,EDO:C:6953,invalid,,,,,C(CO)O,
,,,EDO:C:6963,invalid,,,,,C(CO)O,
,,,EDO:D:6904,invalid,,,,,C(CO)O,
,,,EDO:D:6914,invalid,,,,,C(CO)O,
,,,EDO:D:6924,invalid,,,,,C(CO)O,
,,,EDO:E:6905,invalid,,,,,C(CO)O,
,,,EDO:E:6915,invalid,,,,,C(CO)O,
,,,EDO:E:6925,invalid,,,,,C(CO)O,
,,,EDO:E:6945,invalid,,,,,C(CO)O,
,,,EDO:E:6955,invalid,,,,,C(CO)O,
,,,EDO:E:6965,invalid,,,,,C(CO)O,
,,,EDO:F:6906,invalid,,,,,C(CO)O,
,,,EDO:F:6916,invalid,,,,,C(CO)O,
,,,EDO:F:6926,invalid,,,,,C(CO)O,
,,,EDO:F:6946,invalid,,,,,C(CO)O,
,,,EDO:F:6956,invalid,,,,,C(CO)O,
,,,EDO:F:6966,invalid,,,,,C(CO)O,
,,,EDO:G:6907,invalid,,,,,C(CO)O,
,,,EDO:G:6917,invalid,,,,,C(CO)O,
,,,EDO:G:6927,invalid,,,,,C(CO)O,
,,,EDO:G:6947,invalid,,,,,C(CO)O,
,,,EDO:H:6908,invalid,,,,,C(CO)O,
,,,EDO:H:6918,invalid,,,,,C(CO)O,
,,,EDO:H:6928,invalid,,,,,C(CO)O,
,,,EDO:H:6948,invalid,,,,,C(CO)O,
,,,GAI:A:6801,invalid,,,,,C(=N)(N)N,
,,,GAI:A:6811,invalid,,,,,C(=N)(N)N,
,,,GAI:A:6821,invalid,,,,,C(=N)(N)N,
,,,GAI:A:6832,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6802,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6812,invalid,,,,,C(=N)(N)N,
,,,GAI:B:6831,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6803,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6813,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6823,invalid,,,,,C(=N)(N)N,
,,,GAI:C:6834,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6804,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6814,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6824,invalid,,,,,C(=N)(N)N,
,,,GAI:D:6833,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6805,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6815,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6835,invalid,,,,,C(=N)(N)N,
,,,GAI:E:6836,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6806,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6816,invalid,,,,,C(=N)(N)N,
,,,GAI:F:6826,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6807,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6817,invalid,,,,,C(=N)(N)N,
,,,GAI:G:6838,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6808,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6818,invalid,,,,,C(=N)(N)N,
,,,GAI:H:6837,invalid,,,,,C(=N)(N)N,
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:B:602,invalid,,,,,[Mg+2],
,,,MG:C:603,invalid,,,,,[Mg+2],
,,,MG:D:604,invalid,,,,,[Mg+2],
,,,MG:E:605,invalid,,,,,[Mg+2],
,,,MG:F:606,invalid,,,,,[Mg+2],
,,,MG:G:607,invalid,,,,,[Mg+2],
,,,MG:H:608,invalid,,,,,[Mg+2],
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,,NA:C:703,Part of Protein,,,,,[Na+],
,,,NA:D:704,Part of Protein,,,,,[Na+],
,,,NA:E:705,Part of Protein,,,,,[Na+],
,,,NA:F:706,Part of Protein,,,,,[Na+],
,,,NA:G:707,Part of Protein,,,,,[Na+],
,,,NA:H:708,Part of Protein,,,,,[Na+],
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:507,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:508,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1O02,,,,,,,
,,,EDO:F:606,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:D:605,invalid,,,,,C(CO)O,
,,,EDO:E:605,invalid,,,,,C(CO)O,
,,,EDO:A:4605,invalid,,,,,C(CO)O,
,,,EDO:F:605,invalid,,,,,C(CO)O,
,,,EDO:H:604,invalid,,,,,C(CO)O,
,,,GAI:A:4603,invalid,,,,,C(=N)(N)N,
,,,GAI:A:4604,invalid,,,,,C(=N)(N)N,
,,,GAI:E:604,invalid,,,,,C(=N)(N)N,
,,,GAI:E:603,invalid,,,,,C(=N)(N)N,
,,,GAI:D:604,invalid,,,,,C(=N)(N)N,
,,,GAI:D:603,invalid,,,,,C(=N)(N)N,
,,,GAI:C:604,invalid,,,,,C(=N)(N)N,
,,,GAI:C:603,invalid,,,,,C(=N)(N)N,
,,,GAI:B:603,invalid,,,,,C(=N)(N)N,
,,,GAI:B:604,invalid,,,,,C(=N)(N)N,
,,,GAI:F:604,invalid,,,,,C(=N)(N)N,
,,,GAI:F:603,invalid,,,,,C(=N)(N)N,
,,,GAI:G:605,invalid,,,,,C(=N)(N)N,
,,,GAI:G:604,invalid,,,,,C(=N)(N)N,
,,,GAI:G:603,invalid,,,,,C(=N)(N)N,
,,,GAI:H:603,invalid,,,,,C(=N)(N)N,
,,,MG:G:601,invalid,,,,,[Mg+2],
,,,MG:A:4601,invalid,,,,,[Mg+2],
,,,MG:C:601,invalid,,,,,[Mg+2],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,MG:E:601,invalid,,,,,[Mg+2],
,,,MG:H:601,invalid,,,,,[Mg+2],
,,,MG:F:601,invalid,,,,,[Mg+2],
,,,MG:D:601,invalid,,,,,[Mg+2],
,,,NA:F:602,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:C:602,Part of Protein,,,,,[Na+],
,,,NA:D:602,Part of Protein,,,,,[Na+],
,,,NA:E:602,Part of Protein,,,,,[Na+],
,,,NA:A:4602,Part of Protein,,,,,[Na+],
,,,NA:G:602,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NAI:H:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:4606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:607,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1NZX,,,,,,,
,,,NA:A:1701,Part of Protein,,,,,[Na+],
,,,NA:B:1702,Part of Protein,,,,,[Na+],
,,,NA:C:1703,Part of Protein,,,,,[Na+],
,,,NA:D:1704,Part of Protein,,,,,[Na+],
,,,NA:E:1705,Part of Protein,,,,,[Na+],
,,,NA:F:1706,Part of Protein,,,,,[Na+],
,,,NA:G:1707,Part of Protein,,,,,[Na+],
,,,NA:H:1708,Part of Protein,,,,,[Na+],
,,,NAD:A:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:5502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:6502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:7502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:8502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4KWG,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:F:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:H:603,invalid,,,,,C(CO)O,
,,,2AK:A:601,valid,Ki,=,1,uM,Cc1cc2c(c(c1)Br)NC(=O)C2=O,
,,,2AK:H:601,valid,Ki,=,1,uM,Cc1cc2c(c(c1)Br)NC(=O)C2=O,
,,,NA:B:601,invalid,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,GAI:H:604,invalid,,,,,C(=N)(N)N,
,,,GAI:D:602,invalid,,,,,C(=N)(N)N,
,,,GAI:A:605,invalid,,,,,C(=N)(N)N,
,,,GAI:G:602,invalid,,,,,C(=N)(N)N,
,,,GAI:F:604,invalid,,,,,C(=N)(N)N,
,,,GAI:C:602,invalid,,,,,C(=N)(N)N,
,,,GAI:B:604,invalid,,,,,C(=N)(N)N,
,,4KWF,,,,,,,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:E:602,Part of Protein,,,,,[Na+],
,,,NA:B:602,invalid,,,,,[Na+],
,,,GAI:H:604,invalid,,,,,C(=N)(N)N,
,,,GAI:D:602,invalid,,,,,C(=N)(N)N,
,,,GAI:A:605,invalid,,,,,C(=N)(N)N,
,,,GAI:G:602,invalid,,,,,C(=N)(N)N,
,,,GAI:F:603,invalid,,,,,C(=N)(N)N,
,,,GAI:C:604,invalid,,,,,C(=N)(N)N,
,,,GAI:B:603,invalid,,,,,C(=N)(N)N,
,,,EDO:F:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:H:603,invalid,,,,,C(CO)O,
,,,EDO:E:603,invalid,,,,,C(CO)O,
,,,EDO:E:604,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,3AK:E:601,valid,Ki,=,15,uM,c1ccc(cc1)CN2c3ccccc3C(=O)C2=O,
,,,3AK:H:601,valid,Ki,=,15,uM,c1ccc(cc1)CN2c3ccccc3C(=O)C2=O,
,,,3AK:A:601,valid,Ki,=,15,uM,c1ccc(cc1)CN2c3ccccc3C(=O)C2=O,
,,,3AK:B:601,valid,Ki,=,15,uM,c1ccc(cc1)CN2c3ccccc3C(=O)C2=O,
,,4FQF,,,,,,,
,,,2NO:A:701,Part of Protein,,,,,N(=O)[O],
,,,2NO:B:702,Part of Protein,,,,,N(=O)[O],
,,,2NO:C:701,Part of Protein,,,,,N(=O)[O],
,,,2NO:D:701,Part of Protein,,,,,N(=O)[O],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:B:704,invalid,,,,,[Mg+2],
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,NA:C:705,Part of Protein,,,,,[Na+],
,,,NA:D:705,Part of Protein,,,,,[Na+],
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,URE:A:704,invalid,,,,,C(=O)(N)N,
,,,URE:A:706,invalid,,,,,C(=O)(N)N,
,,,URE:B:701,invalid,,,,,C(=O)(N)N,
,,,URE:B:705,invalid,,,,,C(=O)(N)N,
,,,URE:C:704,invalid,,,,,C(=O)(N)N,
,,,URE:D:704,invalid,,,,,C(=O)(N)N,
,,1NZZ,,,,,,,
,,,MG:A:1601,invalid,,,,,[Mg+2],
,,,MG:B:1602,invalid,,,,,[Mg+2],
,,,MG:C:1603,invalid,,,,,[Mg+2],
,,,MG:D:1604,invalid,,,,,[Mg+2],
,,,MG:E:1605,invalid,,,,,[Mg+2],
,,,MG:F:1606,invalid,,,,,[Mg+2],
,,,MG:G:1607,invalid,,,,,[Mg+2],
,,,MG:H:1608,invalid,,,,,[Mg+2],
,,,NA:A:1701,Part of Protein,,,,,[Na+],
,,,NA:B:1702,Part of Protein,,,,,[Na+],
,,,NA:C:1703,Part of Protein,,,,,[Na+],
,,,NA:D:1704,Part of Protein,,,,,[Na+],
,,,NA:E:1705,Part of Protein,,,,,[Na+],
,,,NA:F:1706,Part of Protein,,,,,[Na+],
,,,NA:G:1707,Part of Protein,,,,,[Na+],
,,,NA:H:1708,Part of Protein,,,,,[Na+],
,,,NAI:A:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:2502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:4502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:3502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:5502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:6502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:7502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:8502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1O9J,,,,,,,
,,,DTT:B:900,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTU:D:901,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,NAD:A:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.7.2.15,,,,,,,,,
,Family. Representative Entry is ,4XH4,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PPI:A:504,valid,,,,,CCC(=O)O,
,,4FWP,,,,,,,
,,,GDP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,1X3N,,,,,,,
,,,ANP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,4XH5,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,PPI:A:404,valid,,,,,CCC(=O)O,
,,1X3M,,,,,,,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2E20,,,,,,,
,,,B4P:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,4XH1,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,PPI:A:503,valid,,,,,CCC(=O)O,
,,,ANP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,2E1Z,,,,,,,
,,,B4P:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
2.6.1.62,,,,,,,,,
,Family. Representative Entry is ,5KGS,,,,,,,
,,,6SR:A:502,valid,Kd,=,74,nM,c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2,
,,,6SR:B:502,valid,Kd,=,74,nM,c1cc2c(cc1C(=O)N3CCN(CC3)c4ccc5c(c4)CCC5=O)OCO2,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4WYC,,,,,,,
,,,3VS:A:502,valid,Kd,=,15,uM,c1cc(ccc1C(=O)N)n2ccnc2,
,,,3VS:B:502,valid,Kd,=,15,uM,c1cc(ccc1C(=O)N)n2ccnc2,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FOR:A:504,invalid,,,,,C=O,
,,4CXR,,,,,,,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,2BG:A:502,valid,,,,,c1ccc2c(c1)nc(s2)CN,
,,3TFU,,,,,,,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,PL8:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O,
,,,PL8:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CC=C(NC2=O)CCCO)O,
,,4MQR,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,2B9:B:501,valid,,,,,CC1=C(/C(=CN=NC(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O,
,,,2B9:A:501,valid,,,,,CC1=C(/C(=CN=NC(=O)c2ccncc2)/C(=CN1)COP(=O)(O)O)O,
,,4MQP,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,2B1:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O,
,,,2B1:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/c2nc3ccccc3s2)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,4XJO,,,,,,,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,41O:B:502,valid,Kd,=,132,nM,c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O,
,,,41O:A:502,valid,Kd,=,132,nM,c1cc(cc(c1)Cl)C(=O)N2CCN(CC2)c3ccc4c(c3)C=CC4=O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4W1W,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,3G8:B:502,valid,ic50,=,0.195,uM,CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3,
,,,3G8:A:502,valid,ic50,=,0.195,uM,CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)c3cccs3,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:B:503,invalid,,,,,[Cl-],
,,4WYG,,,,,,,
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,3W1:B:506,valid,Kd,=,6.8,uM,c1cc(ccc1CN)Cn2cc(cn2)Cl,
,,,3W1:A:503,valid,Kd,=,6.8,uM,c1cc(ccc1CN)Cn2cc(cn2)Cl,
,,,3W1:B:503,valid,Kd,=,6.8,uM,c1cc(ccc1CN)Cn2cc(cn2)Cl,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4MQQ,,,,,,,
,,,2B6:A:505,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O,
,,,2B6:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=N/C(=O)c2nc3ccccc3s2)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:A:503,invalid,,,,,[Cl-],
,,4XEW,,,,,,,
,,,40N:A:502,valid,ic50,=,0.44,uM,c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F,
,,,40N:B:502,valid,ic50,=,0.44,uM,c1ccc(c(c1)C2=CC(=O)c3cc4c(cc3N2)OCO4)F,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4W1V,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,3GS:B:502,valid,ic50,=,0.659,uM,COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2,
,,,3GS:A:502,valid,ic50,=,0.659,uM,COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)C[S@](=O)C2,
,,4XJP,,,,,,,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,41N:A:502,valid,Kd,=,108,nM,CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4,
,,,41N:B:502,valid,Kd,=,108,nM,CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3ccc4c(c3)OCO4,
,,4WYF,,,,,,,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,3VX:A:501,valid,Kd,=,21.7,uM,CC(=O)Nc1ccc2c(c1)C=CC2=O,
,,4WYA,,,,,,,
,,,PLP:B:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,3VQ:B:501,valid,Kd,=,6.9,uM,c1ccnc(c1)c2ccc(s2)C(=O)N,
,,,3VQ:D:501,valid,Kd,=,6.9,uM,c1ccnc(c1)c2ccc(s2)C(=O)N,
,,4W1X,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:504,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,3G9:B:501,valid,,,,,CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl,
,,,3G9:B:502,valid,,,,,CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)c3cccc(c3)Cl,
,,5KGT,,,,,,,
,,,6SQ:B:501,valid,,,,,CC(=O)c1ccc(cc1)N2CCC(CC2)C(=O)c3cccc(c3)Cl,
,,,PLP:B:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4WYE,,,,,,,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,3VW:A:502,valid,Kd,=,41.8,uM,c1ccc(cc1)C(=O)C2CCNCC2,
,,,3VW:B:501,valid,Kd,=,41.8,uM,c1ccc(cc1)C(=O)C2CCNCC2,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ACN:B:504,invalid,,,,,CC(=O)C,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CXQ,,,,,,,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,KAP:B:502,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,KAP:A:502,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,4WYD,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,3VR:B:502,valid,Kd,=,11.7,uM,CNCc1ccc(cc1)Cn2cccn2,
,,,3VR:A:502,valid,Kd,=,11.7,uM,CNCc1ccc(cc1)Cn2cccn2,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3LV2,,,,,,,
,,,PLP:A:501,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:502,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SFG:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,5TE2,,,,,,,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,7B9:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O,
,,,7B9:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CNC(=CC2=O)CCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,1MLY,,,,,,,
,,,ACZ PLP:A:731,valid,,,,,P(=O)(OCc1c(CNc2ccc(CCC([NH3+])C(=O)[O-])cc2)c(O)c(C)nc1)([O-])[O-],
,,,ACZ PLP:B:831,valid,,,,,P(=O)(OCc1c(CNc2ccc(CCC([NH3+])C(=O)[O-])cc2)c(O)c(C)nc1)([O-])[O-],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,1MLZ,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,PLP:B:530,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,TZA:B:531,invalid,,,,,C1=CC(C=CC1CC[C@@H](C(=O)O)N)N,
,,,TZA PLP:A:431,valid,,,,,,
,,1S07,,,,,,,
,,,IPA:B:600,invalid,,,,,CC(C)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,PLP:A:430,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:431,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3DU4,,,,,,,
,,,KAP:A:451,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,KAP:B:451,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,PLP:A:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:450,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
3.4.22.-,,,,,,,,,
,Family. Representative Entry is ,7AK0,,,,,,,
,,,RJK:B:801,valid,,,,,c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN,
,,,RJK:A:801,valid,,,,,c1cc(c(cc1NC(=O)N[C@@H]2Cc3cc(ccc3OC2)Br)Cl)n4cc(cn4)CN,
,Family. Representative Entry is ,4MIB,,,,,,,
,,,28M:A:602,valid,ic50,=,0.2,nM,CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O,
,,,28M:B:601,valid,ic50,=,0.2,nM,CC(C)(C)c1cc(c2c(c1OC)cc(cn2)N3CC[C@@H](C3)CNS(=O)(=O)C)C4=CC=CNC4=O,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,4JU6,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,1O6:A:601,valid,ic50,=,0.67,uM,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C,
,,3UDL,,,,,,,
,,,KLI:A:571,valid,,,,,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6,
,,,KLI:B:571,valid,,,,,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6,
,,,KLI:C:571,valid,,,,,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6,
,,,KLI:D:571,valid,,,,,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4F)C(F)(F)F)c5nc(on5)Cc6ccccc6,
,,3CJ5,,,,,,,
,,,SX6:A:571,valid,Kd,=,0.46,uM,C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C,
,,,SX6:B:571,valid,Kd,=,0.46,uM,C[C@H]1C[C@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)N3CCOCC3)Br)C,
,,3SKA,,,,,,,
,,,053:A:578,valid,ic50,=,0.017,uM,c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O,
,,,053:B:577,valid,ic50,=,0.017,uM,c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O,
,,,PO4:A:577,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2JC0,,,,,,,
,,,699:A:1563,valid,ic50,=,20,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O,
,,,699:A:1564,valid,ic50,=,20,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O,
,,,699:B:1564,valid,ic50,=,20,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O,
,,,699:B:1565,valid,ic50,=,20,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(F)(F)F)c3cccs3)C(=O)O)C(=O)O,
,,5PZK,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,2N5:A:602,valid,,,,,CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F,
,,,2N5:B:602,valid,,,,,CC(C)Oc1cc2c(cc1NS(=O)(=O)C)oc(c2C(=O)NC)c3ccc(cc3)F,
,,,PG4:A:611,invalid,,,,,C(COCCOCCOCCO)O,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,2GIR,,,,,,,
,,,NN3:A:1001,valid,ic50,=,140,nM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C,
,,,NN3:B:2001,valid,ic50,=,140,nM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc3)C(C)C,
,,3TYV,,,,,,,
,,,HI3:A:578,valid,ic50,=,0.008,uM,Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F,
,,,HI3:B:577,valid,ic50,=,0.008,uM,Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F,
,,,PO4:A:577,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3H2L,,,,,,,
,,,YAK:A:601,valid,,,,,CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O,
,,,YAK:B:601,valid,,,,,CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(=N2)C3=C([C@@H]4CCC[C@@H]4N(C3=O)Cc5ccc(cc5)F)O,
,,4IH7,,,,,,,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,1ER:A:602,valid,Kd,=,5.8,uM,CC(C)(C)c1cccc(c1)C2=CC=CNC2=O,
,,,1ER:B:602,valid,Kd,=,5.8,uM,CC(C)(C)c1cccc(c1)C2=CC=CNC2=O,
,,3CIZ,,,,,,,
,,,SX1:B:572,valid,,,,,c1cc(c(cc1Br)C(=O)O)N,
,,,ZN:A:571,Part of Protein,,,,,[Zn+2],
,,,ZN:B:571,Part of Protein,,,,,[Zn+2],
,,4J06,,,,,,,
,,,1JG:A:601,valid,ic50,=,4.6,uM,c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O,
,,,1JG:B:601,valid,ic50,=,4.6,uM,c1cc(c(cc1Cl)NS(=O)(=O)c2ccc(s2)Br)C(=O)O,
,,3HKY,,,,,,,
,,,CL:A:585,invalid,,,,,[Cl-],
,,,CL:B:581,invalid,,,,,[Cl-],
,,,IX6:A:579,valid,Kd,=,2.3,nM,Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O,
,,,IX6:B:579,valid,Kd,=,2.3,nM,Cc1c(nc(o1)C)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCC(=C)C)S(=O)(=O)CC(C4)(C)C)O,
,,,SO4:A:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:586,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PHE,,,,,,,
,,,C9A:A:999,valid,ic50,=,0.016,uM,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl,
,,,C9A:B:998,valid,ic50,=,0.016,uM,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl,
,,,C9A:C:997,valid,ic50,=,0.016,uM,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl,
,,,C9A:D:996,valid,ic50,=,0.016,uM,CN1CCN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4)S(=O)(=O)C)C(=O)OCc5ccc(cc5)Cl,
,,3CJ2,,,,,,,
,,,NI:A:711,Part of Protein,,,,,[Ni+2],
,,,NI:A:727,Part of Protein,,,,,[Ni+2],
,,,SX3:A:571,valid,Kd,=,14,uM,C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C,
,,,SX3:B:571,valid,Kd,=,14,uM,C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2N)Br)C,
,,4J08,,,,,,,
,,,1JH:A:601,valid,ic50,=,0.22,uM,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3,
,,3BSA,,,,,,,
,,,1PD:A:579,valid,,,,,CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N,
,,,1PD:B:579,valid,,,,,CC(C)CCN1C(=O)C(=C(C(=N1)c2cncs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N,
,,3LKH,,,,,,,
,,,LT6:A:577,valid,ic50,=,0.8,uM,CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO,
,,,LT6:B:577,valid,ic50,=,0.8,uM,CCCCN(C)C(=O)c1c(cccc1F)OCC(=O)N[C@@H](Cc2ccccc2)CO,
,,2D3Z,,,,,,,
,,,FIH:A:2001,valid,Ki,=,0.23,uM,Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F,
,,,FIH:B:3001,valid,Ki,=,0.23,uM,Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)F,
,,3FQL,,,,,,,
,,,79Z:A:571,valid,Kd,=,0.071,uM,CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,3CJ4,,,,,,,
,,,NI:A:572,Part of Protein,,,,,[Ni+2],
,,,NI:B:572,Part of Protein,,,,,[Ni+2],
,,,SX5:A:571,valid,Kd,=,0.31,uM,C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C,
,,,SX5:B:571,valid,Kd,=,0.31,uM,C[C@@H]1C[C@@H](CN(C1)C(=O)c2cc(ccc2NC(=O)CCC(=O)O)Br)C,
,,4J0A,,,,,,,
,,,1JL:A:601,valid,ic50,=,0.16,uM,Cc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2C(=O)O)Oc3ccccc3,
,,3GYN,,,,,,,
,,,B42:A:579,valid,ic50,=,0.047,uM,CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C,
,,,B42:B:579,valid,ic50,=,0.047,uM,CC(C)CC[C@@]1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)c3cc(ccc3N2)NS(=O)(=O)C)C4CCCC4)C,
,,4MKB,,,,,,,
,,,28V:A:601,valid,ic50,=,3,nM,CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O,
,,,28V:B:601,valid,ic50,=,3,nM,CC(C)(C)c1cc(cc(c1OC)/C=C/c2ccc(cc2)NS(=O)(=O)C)C3=CC=NNC3=O,
,,4JVQ,,,,,,,
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,1ML:B:602,valid,ic50,=,0.63,uM,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C,
,,,1ML:A:3002,valid,ic50,=,0.63,uM,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,5PZL,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XV:A:602,valid,,,,,c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O,
,,,8XV:B:602,valid,,,,,c1cc2c(cc1OCC(=O)N)S(=O)(=O)N=C(N2)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,2I1R,,,,,,,
,,,VXR:A:600,valid,ic50,=,9.7,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4,
,,,VXR:B:600,valid,ic50,=,9.7,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)c4[nH]nnn4,
,,2D41,,,,,,,
,,,SNH:A:1001,valid,Ki,=,0.15,uM,Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C,
,,,SNH:A:2001,valid,Ki,=,0.15,uM,Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C,
,,,SNH:B:3001,valid,Ki,=,0.15,uM,Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C,
,,,SNH:B:4001,valid,Ki,=,0.15,uM,Cc1ccc(c(c1)C)S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(s3)C(=O)C,
,,2WCX,,,,,,,
,,,MN:A:1532,Part of Protein,,,,,[Mn+2],
,,,MN:A:1533,Part of Protein,,,,,[Mn+2],
,,,VGC:A:1534,valid,ic50,=,0.025,uM,Cn1c2cc(sc2c(c1c3ccccc3)C4CCCCC4)C(=O)O,
,,2HWH,,,,,,,
,,,RNA:A:960,valid,ic50,=,2,uM,Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2,
,,,RNA:B:960,valid,ic50,=,2,uM,Cc1ccc(cc1)S(=O)(=O)NC2=NC(=O)C(=Cc3ccc(o3)C)S2,
,,3H5U,,,,,,,
,,,H5U:A:571,valid,ic50,=,0.003,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O,
,,,H5U:B:571,valid,ic50,=,0.003,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(cc2)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O,
,,6MVQ,,,,,,,
,,,K4M:B:601,valid,,,,,B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O,
,,,K4M:A:601,valid,,,,,B(c1ccc(cc1F)c2ncnn2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O,
,,2DXS,,,,,,,
,,,JTP:A:1000,valid,ic50,=,0.046,uM,CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3,
,,,JTP:B:2000,valid,ic50,=,0.046,uM,CC(C)(C(=O)O)NC(=O)c1ccc2c(c1)n3c(c2C4CCCCC4)-c5ccccc5OCC3,
,,3D5M,,,,,,,
,,,4MS:A:579,valid,ic50,<,0.01,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O,
,,,4MS:B:579,valid,ic50,<,0.01,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)Cl)F)C3=NS(=O)(=O)c4c3cccc4CNS(=O)(=O)C)O,
,,2YOJ,,,,,,,
,,,8Y6:B:1564,valid,ic50,=,5,nM,c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F,
,,,8Y6:A:1569,valid,ic50,=,5,nM,c1coc2c1c(cc3c2c(c(n3Cc4cc5c(cc4F)N=CNC5=O)C(=O)O)C6=CC=CNC6=O)F,
,,,PO4:B:1565,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1570,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1571,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1566,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JJS,,,,,,,
,,,1M9:A:601,valid,,,,,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3C(F)(F)F)C(C)C,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,2D3U,,,,,,,
,,,CCT:A:1001,valid,Ki,=,0.12,uM,Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N,
,,,CCT:B:2001,valid,Ki,=,0.12,uM,Cc1ccccc1S(=O)(=O)Nc2cc(sc2C(=O)O)c3ccc(cc3)C#N,
,,4JU7,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,1O6:A:601,valid,ic50,=,0.67,uM,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccccc3)C(C)C,
,,3H98,,,,,,,
,,,B5P:A:571,valid,ic50,<,0.005,uM,CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O,
,,,B5P:B:571,valid,ic50,<,0.005,uM,CC(C)CCN1c2nccn2C(=C(C1=O)C3=NS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O,
,,,GOL:A:572,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:572,invalid,,,,,C(C(CO)O)O,
,,6W4G,,,,,,,
,,,SL4:B:601,valid,ic50,=,11.1,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O,
,,,SL4:A:601,valid,ic50,=,11.1,uM,CC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C#N)F)C3=NS(=O)(=O)c4c3cccc4)O,
,,4IH5,,,,,,,
,,,12R:B:601,valid,Kd,=,78,uM,c1ccc(cc1)NNc2c3cn[nH]c3ncn2,
,,,12R:A:601,valid,Kd,=,78,uM,c1ccc(cc1)NNc2c3cn[nH]c3ncn2,
,,2HWI,,,,,,,
,,,VRX:A:600,valid,ic50,=,3,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O,
,,,VRX:B:600,valid,ic50,=,3,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)O,
,,4MKA,,,,,,,
,,,2AY:B:603,valid,ic50,=,1,nM,CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O,
,,,2AY:A:602,valid,ic50,=,1,nM,CC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O,
,,,DMS:B:601,invalid,,,,,CS(=O)C,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,3VQS,,,,,,,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,JT1:A:1000,valid,ic50,=,0.0178,uM,c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6,
,,,JT1:B:601,valid,ic50,=,0.0178,uM,c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6,
,,,JT1:C:601,valid,ic50,=,0.0178,uM,c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6,
,,,JT1:D:1000,valid,ic50,=,0.0178,uM,c1cc(ccc1C(F)(F)F)S(=O)(=O)N2CCN(C[C@@H]2C(=O)NCc3ccc(c(c3)F)OC(F)(F)F)c4nc5c(s4)cnc(n5)C6CC6,
,,2BRK,,,,,,,
,,,CMF:A:1534,valid,,,,,c1ccc(cc1)c2c(c3ccc(cc3n2CC(=O)N4CCOCC4)C(=O)O)C5CCCCC5,
,,,MN:A:1532,Part of Protein,,,,,[Mn+2],
,,,MN:A:1533,Part of Protein,,,,,[Mn+2],
,,3CDE,,,,,,,
,,,N3H:A:579,valid,ic50,<,0.01,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,,N3H:B:579,valid,ic50,<,0.01,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,3CJ0,,,,,,,
,,,SX2:A:571,valid,,,,,c1cc(ncc1Br)NC(=O)CCC(=O)O,
,,,SX2:B:571,valid,,,,,c1cc(ncc1Br)NC(=O)CCC(=O)O,
,,6MVK,,,,,,,
,,,K4J:A:601,valid,,,,,B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O,
,,,K4J:B:601,valid,,,,,B(c1ccc(cc1F)[C@H]2COC(=O)N2c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)(O)O,
,,3CVK,,,,,,,
,,,N34:A:579,valid,ic50,<,0.01,uM,CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,,N34:B:579,valid,ic50,<,0.01,uM,CC(C)(C)CCN1C(=O)C(=C([C@H]2[N@@]1CCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,4KAI,,,,,,,
,,,1PV:B:602,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:A:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:B:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:A:602,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,4JU3,,,,,,,
,,,1O1:B:601,valid,ic50,=,0.085,uM,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O,
,,,1O1:A:601,valid,ic50,=,0.085,uM,Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccc(cc3)C(=O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,4MK9,,,,,,,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,28R:B:602,valid,ic50,=,9,nM,CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O,
,,,28R:A:601,valid,ic50,=,9,nM,CC(C)(C)c1cc(cc(c1OC)c2nc3cc(ccc3o2)NS(=O)(=O)C)C4=CC=CNC4=O,
,,4KE5,,,,,,,
,,,1PV:B:602,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:A:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:B:601,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,1PV:A:602,valid,,,,,B(c1ccc(cc1F)CN(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,3MF5,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,HJZ:A:571,valid,ic50,=,0.042,uM,CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4,
,,,HJZ:B:571,valid,ic50,=,0.042,uM,CC1CCC(CC1)c2ccccc2c3cc(sc3C(=O)O)c4ccccc4,
,,4KB7,,,,,,,
,,,690:B:601,valid,,,,,B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O,
,,,690:A:601,valid,,,,,B1(c2ccccc2[C@H](O1)CCN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)O,
,,5PZN,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XP:A:602,valid,,,,,CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC,
,,,8XP:B:602,valid,,,,,CC(C)(C)NC(=O)c1cccc(c1)c2ccc3c(c2)c(c(o3)c4ccc(cc4)F)C(=O)NC,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,4JJU,,,,,,,
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,1MB:A:3002,valid,,,,,c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F,
,,,1MB:B:602,valid,,,,,c1cc(c(nc1)Oc2ccc3c(c2)C(=O)N=CN3Cc4ccc(cc4F)F)C(F)(F)F,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,1OS5,,,,,,,
,,,NH1:A:901,valid,Kd,=,0.14,uM,Cc1cc(c(cc1N)C(C)(C)C)SC2=C(C[C@@](OC2=O)(CCc3ccc(cc3)O)C4CCCC4)O,
,,3CO9,,,,,,,
,,,3MS:A:579,valid,,,,,CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,,3MS:B:579,valid,,,,,CC(C)CCN1C(=O)C(=C(c2n1ccc2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,5CZB,,,,,,,
,,,55W:B:601,valid,ic50,=,0.0257,uM,Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC,
,,,55W:A:601,valid,ic50,=,0.0257,uM,Cc1ccc(c(c1)C)[P@](=O)(Nc2c(cn(n2)c3ccc(cc3)c4cc5nc(cc(n5n4)N)C)C(=O)O)OC,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:B:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:B:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3CJ3,,,,,,,
,,,NI:A:571,Part of Protein,,,,,[Ni+2],
,,,NI:B:571,Part of Protein,,,,,[Ni+2],
,,,SX4:A:572,valid,ic50,=,57,uM,c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl,
,,,SX4:B:572,valid,ic50,=,57,uM,c1ccc(c(c1)C[C@H]2CCCN2C(=O)c3cc(ccc3N)Br)Cl,
,,3U4R,,,,,,,
,,,08F:A:579,valid,ic50,=,0.039,uM,CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O,
,,,08F:B:579,valid,ic50,=,0.039,uM,CS(=O)(=O)Nc1cccc(c1)S(=O)(=O)NC(=O)c2c(c3cc(ccc3n2Cc4ccnc(c4)N)Cl)C5=CC=CNC5=O,
,,3GNW,,,,,,,
,,,CL:A:580,invalid,,,,,[Cl-],
,,,CL:A:581,invalid,,,,,[Cl-],
,,,CL:B:580,invalid,,,,,[Cl-],
,,,XNC:A:579,valid,Kd,=,0.79,nM,Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O,
,,,XNC:B:579,valid,Kd,=,0.79,nM,Cc1cccc(n1)C(=O)N2c3cccc(c3NC4=C([C@@H]2c5ccc(cc5F)OCc6ccccc6)S(=O)(=O)CC(C4)(C)C)O,
,,4MK8,,,,,,,
,,,DMS:B:602,invalid,,,,,CS(=O)C,
,,,DMS:B:601,invalid,,,,,CS(=O)C,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,28Q:B:604,valid,ic50,=,1,nM,CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O,
,,,28Q:A:602,valid,ic50,=,1,nM,CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,5TRK,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7HH:B:602,valid,,,,,c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O,
,,,7HH:A:602,valid,,,,,c1ccc(cc1)C(=O)Nc2cc(ccc2OCc3ccc(cc3)Cl)C(=O)NCC(=O)O,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,3HHK,,,,,,,
,,,77Z:A:564,valid,ic50,=,6,nM,CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N,
,,,77Z:B:564,valid,ic50,=,6,nM,CC(C)CCN1c2ccccc2C(=O)C(C1=O)[C@@H]3Nc4ccc(cc4S(=O)(=O)N3)OCC(=O)N,
,,3UPI,,,,,,,
,,,0C2:A:587,valid,ic50,=,6,nM,C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O,
,,,0C2:B:586,valid,ic50,=,6,nM,C[C@@H]1COc2c1ccc3c2c(c(n3Cc4cc(ccc4F)F)C(=O)NS(=O)(=O)C)C5=CC=CNC5=O,
,,,PO4:A:586,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3D28,,,,,,,
,,,B34:A:579,valid,ic50,=,1.4,uM,CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O,
,,,B34:B:579,valid,ic50,=,1.4,uM,CC(C)[C@H]1C(=C(C(=O)N1Cc2ccccc2)C3=NS(=O)(=O)c4c3cccc4)O,
,,4IZ0,,,,,,,
,,,2BI:A:601,valid,ic50,~,100,uM,Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl,
,,,2BI:A:602,valid,ic50,~,100,uM,Cc1cc(no1)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl,
,,2O5D,,,,,,,
,,,VR1:A:600,valid,ic50,=,7,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-],
,,,VR1:B:600,valid,ic50,=,7,uM,CCc1ccc(o1)C=C/2C(=O)N=C(S2)N[C@@H](c3ccc(cc3)F)C(=O)NS(=O)(=O)c4ccc(cc4)[N+](=O)[O-],
,,3CWJ,,,,,,,
,,,321:A:1001,valid,ic50,<,0.01,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C,
,,,321:B:1002,valid,ic50,<,0.01,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)C3)NS(=O)(=O)C,
,,3FQK,,,,,,,
,,,79Z:A:571,valid,ic50,=,0.081,uM,CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4,
,,,79Z:B:571,valid,ic50,=,0.081,uM,CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4,
,,2WHO,,,,,,,
,,,MN:A:1532,Part of Protein,,,,,[Mn+2],
,,,MN:A:1533,Part of Protein,,,,,[Mn+2],
,,,MN:B:1532,Part of Protein,,,,,[Mn+2],
,,,MN:B:1533,Part of Protein,,,,,[Mn+2],
,,,VGI:A:1534,valid,ic50,=,0.02,uM,c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O,
,,,VGI:B:1534,valid,ic50,=,0.02,uM,c1cc(cc(c1)Br)N2C(=O)c3cccc4c3c(ccc4NCCO)C2=O,
,,4EO6,,,,,,,
,,,0S2:A:600,valid,Kd,=,0.002,uM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C,
,,,0S2:B:600,valid,Kd,=,0.002,uM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)C(C)C,
,,4EO8,,,,,,,
,,,0S3:A:600,valid,Kd,=,0.007,uM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C,
,,,0S3:B:600,valid,Kd,=,0.007,uM,CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)C#CC(C)(C)C)N(C)C,
,,4TLR,,,,,,,
,,,33H:A:601,valid,ic50,=,0.003,uM,C[C@H](C[C@@H]1C(=O)N([C@@H](CO1)C2CCCCC2)c3cc(sc3C(=O)O)C#CC(C)(C)C)O,
,,,79Z:A:602,valid,,,,,CNC(=O)c1c2cc(c(cc2oc1c3ccc(cc3)F)N(CCO)S(=O)(=O)C)C4CC4,
,,4J04,,,,,,,
,,,1JF:B:601,valid,ic50,=,11,uM,c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O,
,,,1JF:A:601,valid,ic50,=,11,uM,c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O,
,,,1JF:A:602,valid,ic50,=,11,uM,c1cc(c(cc1Cl)NS(=O)(=O)c2cc(c(cc2Cl)Cl)Cl)C(=O)O,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,3G86,,,,,,,
,,,NI:A:700,Part of Protein,,,,,[Ni+2],
,,,NI:B:701,Part of Protein,,,,,[Ni+2],
,,,T18:A:571,valid,ic50,=,0.005,uM,CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O,
,,,T18:B:571,valid,ic50,=,0.005,uM,CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(N2)C3=C(c4cc(ccc4N(C3=O)Cc5ccc(cc5)F)F)O,
,,3QGF,,,,,,,
,,,23E:A:601,invalid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:B:601,invalid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,46F:A:602,valid,,,,,COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl,
,,,46F:B:602,valid,,,,,COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl,
,,,SO4:A:651,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:652,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:653,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:654,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:659,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:660,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:651,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:652,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:653,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:657,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JC1,,,,,,,
,,,698:A:600,valid,ic50,=,3.8,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O,
,,,698:B:600,valid,ic50,=,3.8,uM,CC(C)C[C@]1(C[C@@H]([C@@H](N1C(=O)c2ccc(cc2)C(C)(C)C)c3nccs3)C(=O)O)C(=O)O,
,,4DRU,,,,,,,
,,,0LN:A:601,valid,Kd,=,2.4,nM,CN1CCCCN(S(=O)(=O)NC(=O)c2ccc3c(c2)n4c(c3C5CCCCC5)-c6ccc(cc6C=C(C4)C1=O)OC)C,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:616,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GC8,,,,,,,
,,,885:A:579,valid,ic50,=,3.1,uM,Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O,
,,,885:B:579,valid,ic50,=,3.1,uM,Cc1cc(c(cc1Cl)N)S(=O)(=O)[N@@]2CCC[C@H]2C(=O)O,
,,4IH6,,,,,,,
,,,1EP:A:601,valid,Kd,=,18,uM,CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C,
,,,1EP:B:601,valid,Kd,=,18,uM,CC(C)[C@H]1C(=O)N(C(=O)N1)Cc2ccc(cc2)C(C)(C)C,
,,1GX5,,,,,,,
,,,GTP:A:1531,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1532,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:1533,Part of Protein,,,,,[Mn+2],
,,,MN:A:1534,Part of Protein,,,,,[Mn+2],
,,,MN:A:1535,Part of Protein,,,,,[Mn+2],
,,3H59,,,,,,,
,,,H59:A:571,valid,,,,,CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O,
,,,H59:B:571,valid,,,,,CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O,
,,3Q0Z,,,,,,,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,SO4:A:651,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:652,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:653,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:654,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:655,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:651,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:652,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:653,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:656,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:657,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NHU,,,,,,,
,,,153:A:5001,valid,Ki,=,2.2,uM,c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl,
,,,153:B:6001,valid,Ki,=,2.2,uM,c1ccc(cc1)C[C@@H](C(=O)O)N(Cc2cccc(c2)C(F)(F)F)C(=O)c3ccc(cc3Cl)Cl,
,,1GX6,,,,,,,
,,,MN:A:3001,Part of Protein,,,,,[Mn+2],
,,,MN:A:3002,Part of Protein,,,,,[Mn+2],
,,,MN:A:3003,Part of Protein,,,,,[Mn+2],
,,,MN:A:3004,Part of Protein,,,,,[Mn+2],
,,,MN:A:3005,Part of Protein,,,,,[Mn+2],
,,,UTP:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:1002,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:1003,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3U4O,,,,,,,
,,,08E:A:579,valid,ic50,=,0.053,uM,c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O,
,,,08E:B:579,valid,ic50,=,0.053,uM,c1cc2c(cc1Cl)c(c(n2Cc3ccnc(c3)N)C(=O)O)C4=CC=CNC4=O,
,,,PO4:A:580,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3E51,,,,,,,
,,,N35:A:579,valid,ic50,=,0.014,uM,CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,,N35:B:579,valid,ic50,=,0.014,uM,CC(C)CCN1C(=O)C(=C(C(=N1)N2CCCC2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)NS(=O)(=O)C,
,,4JU4,,,,,,,
,,,1O3:A:601,valid,ic50,=,0.34,uM,c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br,
,,,1O3:B:601,valid,ic50,=,0.34,uM,c1ccc(cc1)Oc2ccc(c(c2)C(=O)O)NS(=O)(=O)c3ccc(cc3F)Br,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,2GIQ,,,,,,,
,,,NN2:A:1001,valid,ic50,=,131,nM,c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O,
,,,NN2:B:2001,valid,ic50,=,131,nM,c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N(C3=O)CCC5CC5)F)O,
,,2FVC,,,,,,,
,,,888:A:901,valid,ic50,=,32,nM,CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O,
,,,888:B:902,valid,ic50,=,32,nM,CC(C)CCN1c2ccccc2C(=C(C1=O)C3=NS(=O)(=O)c4ccccc4N3)O,
,,3BR9,,,,,,,
,,,DEY:A:579,valid,ic50,=,0.062,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N,
,,,DEY:B:579,valid,ic50,=,0.062,uM,CC(C)CCN1C(=O)C(=C(C(=N1)c2cccs2)O)C3=Nc4ccc(cc4S(=O)(=O)N3)O[C@H](C)C(=O)N,
,,6MVP,,,,,,,
,,,K4S:B:601,valid,,,,,B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,,K4S:A:601,valid,,,,,B(c1ccc(cc1)N(c2cc3c(cc2C4CC4)c(c(o3)c5ccc(cc5)F)C(=O)NC)S(=O)(=O)C)(O)O,
,,5TRI,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7HM:B:602,valid,,,,,c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O,
,,,7HM:A:602,valid,,,,,c1ccc2c(c1)CN(C2=O)c3c(cccc3OCc4ccc(cc4)Cl)C(=O)O,
,,,23E:B:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,,23E:A:601,valid,,,,,c1ccc2c(c1)-c3c(c4ccc(cc4n3CC(=O)N2)C(=O)NC5(CCCC5)C(=O)Nc6ccc(cc6)/C=C/C(=O)O)C7CCCCC7,
,,3SKH,,,,,,,
,,,058:A:577,valid,ic50,=,0.9,uM,c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl,
,,,058:B:577,valid,ic50,=,0.9,uM,c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)c4ccccc4F)Cl,
,,1YVF,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,PH7:A:800,valid,ic50,=,0.1,uM,c1ccc(cc1)C(=O)N/C(=Cc2ccc(cc2)Oc3ccccc3Br)/C(=O)O,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2BRL,,,,,,,
,,,MN:A:1532,Part of Protein,,,,,[Mn+2],
,,,MN:A:1533,Part of Protein,,,,,[Mn+2],
,,,POO:A:1534,valid,,,,,C[N@]1CCC[C@H](C1)CN(C)C(=O)Cn2c3cc(ccc3c(c2c4ccccc4)C5CCCCC5)C(=O)O,
,,2HAI,,,,,,,
,,,PFI:A:601,valid,ic50,=,0.53,uM,CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O)O2)O)C3CCCC3,
,,3FRZ,,,,,,,
,,,AG0:A:577,valid,,,,,CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5,
,,,AG6:A:578,invalid,,,,,CCC[C@@H](C=CC(=O)c1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)OCc3ccccc3,
,,,BME:A:579,invalid,,,,,C(CS)O,
,,4J02,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1JE:B:601,valid,,,,,CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O,
,,,1JE:A:601,valid,,,,,CCC[C@]1(c2c(c3c(ccc(c3[nH]2)Cl)Cl)CCO1)CC(=O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:B:603,Part of Protein,,,,,[Na+],
,,3SKE,,,,,,,
,,,054:A:578,valid,ic50,=,0.032,uM,c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O,
,,,054:B:577,valid,ic50,=,0.032,uM,c1cc2c(cc1C(F)(F)F)c(c(n2Cc3ccnc(c3)N)C(=O)O)N4C(=O)c5cscc5NC4=O,
,,,PO4:A:577,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KBI,,,,,,,
,,,1C0:A:601,valid,,,,,B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O,
,,,1C0:B:601,valid,,,,,B1(c2c(cc(cc2F)CN(c3cc4c(cc3C5CC5)c(c(o4)c6ccc(cc6)F)C(=O)NC)S(=O)(=O)C)CO1)O,
,,3H5S,,,,,,,
,,,H5S:A:571,valid,ic50,=,0.005,uM,Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C,
,,,H5S:B:571,valid,ic50,=,0.005,uM,Cc1cc(ccc1F)CN2[C@H](C(=C(C2=O)C3=NS(=O)(=O)c4c3ccc5c4CN(CC5)S(=O)(=O)C)O)C(C)(C)C,
,,3UPH,,,,,,,
,,,0C1:A:578,valid,ic50,=,15,nM,CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O,
,,,0C1:B:577,valid,ic50,=,15,nM,CS(=O)(=O)NC(=O)c1c(c2c(n1Cc3cc(ccc3F)F)ccc4c2OCC4)C5=CC=CNC5=O,
,,,PO4:A:577,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3EWP,,,,,,,
,,,APR:A:175,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:175,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,2BVL,,,,,,,
,,,4478_4479_4480_4481_4482_4483_4484_4485_4486_4487_4488_4489_4490_4491_4492_4493_4494_4495_:A:1548,invalid,,,,,,
,,,4496_4497_4498_4499_4500_4501_4502_4503_4504_4505_4506_4507_4508_4509_4510_4511_4512_4513_:A:1549,invalid,,,,,,
,,,4514_:A:1550,Part of Protein,,,,,,
,,,4532_4533_4534_4535_4536_4537_4538_4539_4540_4541_4542_4543_4544_4545_4546_4547_4548_4549_:A:1551,invalid,,,,,,
,,,GLC:A:1546,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:1544,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1545,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,4520_4521_4522_4523_4524_4525_4526_4527_4528_4529_4530_4531_:A:1550,invalid,,,,,,
,,5UQM,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,U2F:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UQN,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,U2F:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5YSI,,,,,,,
,,,NCA:A:1001,valid,,,,,c1cc(cnc1)C(=O)N,
,Family. Representative Entry is ,3EWR,,,,,,,
,,,APR:A:169,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,6HOI,,,,,,,
,,,SER ALA ASN SER PHE THR LEU ILE GLY GLU:F:96,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)CO)Cc1ccccc1)C(O)C)CC(C)C)C(CC)C)CCC(=O)[O-],
,,,SER ALA ASN SER PHE THR LEU ILE GLY GLU:G:94,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)CO)Cc1ccccc1)C(O)C)CC(C)C)C(CC)C)CCC(=O)[O-],
,,,ACT:F:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5LXI,,,,,,,
,,,GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU:E:386,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])C(CC)C)CC(C)C)C(=O)NC(C(=O)[O-])CC(C)C)([O-])[O-],
,,,GLU ASP GLU ASP PHE GLU ILE LEU SEP LEU:C:384,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])C(CC)C)CC(C)C)C(=O)NC(C(=O)[O-])CC(C)C)([O-])[O-],
,,,PER:D:206,invalid,,,,,[O-][O-],
,,,PER:D:205,invalid,,,,,[O-][O-],
,,,PGE:D:203,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:202,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,5LXH,,,,,,,
,,,GLU ASP GLU ASP PHE GLU ILE LEU SER LEU:F:384,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CO)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])C(CC)C,
,,,GLU ASP GLU ASP PHE GLU ILE LEU SER LEU:E:384,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CO)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])C(CC)C,
,,,GLU ASP GLU ASP PHE GLU ILE LEU SER LEU:G:384,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CO)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])C(CC)C,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4YOI,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,4F4:A:401,valid,ic50,=,0.33,uM,c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5,
,,,4F4:B:401,valid,ic50,=,0.33,uM,c1ccc2c(c1)nnn2CC(=O)N(Cc3ccsc3)c4ccc(cc4)NC(=O)c5cccs5,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,4YOG,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,4F5:A:405,valid,ic50,=,1.8,uM,CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3,
,,,4F5:B:404,valid,ic50,=,1.8,uM,CC(=O)Nc1ccc(cc1)N([C@H](c2ccsc2)C(=O)NC(C)(C)C)C(=O)Cn3c4ccccc4nn3,
,,4YOJ,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,RFM:B:401,valid,ic50,=,0.41,uM,c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4,
,,,RFM:A:401,valid,ic50,=,0.41,uM,c1ccc(cc1)C(=O)Nc2ccc(cc2)N(Cc3ccsc3)C(=O)Cn4c5ccccc5nn4,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,1NME,,,,,,,
,,,158:A:9001,Part of Protein,,,,,CC(=O)[C@H](CC(=O)O)NC(=O)CS,
,,,159:B:9002,valid,,,,,c1cc(c(cc1S(=O)(=O)NCCS)C(=O)O)O,
,Family. Representative Entry is ,2ZU2,,,,,,,
,,,DTZ:A:5517,valid,,,,,S[Zn]S,
,,,DTZ:B:5518,valid,,,,,S[Zn]S,
,,,MPD:A:4001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
3.6.1.34,,,,,,,,,
,Family. Representative Entry is ,2CK3,,,,,,,
,,,ADP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,AZI:D:1092,invalid,,,,,[N-]=[N+]=[N-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,PO4:E:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1E79,,,,,,,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DCW:D:700,Part of Protein,,,,,C1CCC(CC1)NC(=O)NC2CCCCC2,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,SO4:E:630,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JDI,,,,,,,
,,,ANP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:1479,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1512,Part of Protein,,,,,[Mg+2],
,,,MG:B:1512,Part of Protein,,,,,[Mg+2],
,,,MG:C:1512,Part of Protein,,,,,[Mg+2],
,,,MG:D:1481,Part of Protein,,,,,[Mg+2],
,,,MG:F:1480,Part of Protein,,,,,[Mg+2],
,,1H8E,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:D:620,valid,,,,,F[Al-](F)(F)F,
,,,ALF:F:620,valid,,,,,F[Al-](F)(F)F,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,SO4:E:630,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1W0J,,,,,,,
,,,ADP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP BEF:D:1476,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:F:1475,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1475,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1512,Part of Protein,,,,,[Mg+2],
,,,MG:B:1512,Part of Protein,,,,,[Mg+2],
,,,MG:C:1512,Part of Protein,,,,,[Mg+2],
,,,MG:D:1477,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,PO4:E:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2JJ2,,,,,,,
,,,ADP:D:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:H:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:I:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:J:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:M:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,AZI:D:1478,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:K:1478,invalid,,,,,[N-]=[N+]=[N-],
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:1480,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1512,Part of Protein,,,,,[Mg+2],
,,,MG:B:1511,Part of Protein,,,,,[Mg+2],
,,,MG:C:1512,Part of Protein,,,,,[Mg+2],
,,,MG:D:1477,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1512,Part of Protein,,,,,[Mg+2],
,,,MG:I:1511,Part of Protein,,,,,[Mg+2],
,,,MG:J:1512,Part of Protein,,,,,[Mg+2],
,,,MG:K:1477,Part of Protein,,,,,[Mg+2],
,,,MG:M:1476,Part of Protein,,,,,[Mg+2],
,,,PO4:E:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QUE:G:1273,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:N:1273,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,1E1R,,,,,,,
,,,ADP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:D:602,valid,,,,,F[Al](F)F,
,,,ANP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,PO4:E:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2JIZ,,,,,,,
,,,ADP:D:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:H:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:I:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:J:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:M:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,AZI:D:1478,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:K:1478,invalid,,,,,[N-]=[N+]=[N-],
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:1480,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1512,Part of Protein,,,,,[Mg+2],
,,,MG:B:1511,Part of Protein,,,,,[Mg+2],
,,,MG:C:1512,Part of Protein,,,,,[Mg+2],
,,,MG:D:1477,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,MG:H:1512,Part of Protein,,,,,[Mg+2],
,,,MG:I:1511,Part of Protein,,,,,[Mg+2],
,,,MG:J:1512,Part of Protein,,,,,[Mg+2],
,,,MG:K:1477,Part of Protein,,,,,[Mg+2],
,,,MG:M:1476,Part of Protein,,,,,[Mg+2],
,,,PO4:E:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,STL:G:1273,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:N:1273,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
2.7.11.7,,,,,,,,,
,Family. Representative Entry is ,4ZS4,,,,,,,
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:B:903,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:903,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3LMI,,,,,,,
,,,ATP:A:1760,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1761,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1762,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1763,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,,MG:C:1007,Part of Protein,,,,,[Mg+2],
,,,MG:D:1008,Part of Protein,,,,,[Mg+2],
,,,PO4:A:5955,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5956,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5959,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5957,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5958,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5960,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,,3LKM,,,,,,,
,,,AMP:A:907,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,PO4:A:905,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,3LMH,,,,,,,
,,,ADP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1512,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:842,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:842,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,4ZMF,,,,,,,
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,AMP:A:901,valid,Kd,=,110,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:901,valid,Kd,=,110,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4ZME,,,,,,,
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PGE:B:905,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ADN:B:902,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:1002,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,5DYJ,,,,,,,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AMP:B:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,5E9E,,,,,,,
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ANP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3LLA,,,,,,,
,,,ACP:A:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,PO4:A:5954,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5953,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3PDT,,,,,,,
,,,ADP:A:811,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,PO4:A:810,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
4.1.3.6,,,,,,,,,
,Family. Representative Entry is ,1Z6K,,,,,,,
,,,MG:A:275,Part of Protein,,,,,[Mg+2],
,,,OAA:A:274,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,Family. Representative Entry is ,1U5V,,,,,,,
,,,ATP:A:274,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMT:A:275,invalid,,,,,C(=O)O,
2.7.1.17,,,,,,,,,
,Family. Representative Entry is ,2WEI,,,,,,,
,,,VGG:A:600,valid,ic50,=,3.4,nM,Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N,
,Family. Representative Entry is ,4BC5,,,,,,,
,,,5FX:A:1531,valid,Ki,=,25,uM,C([C@H]([C@@H](C(=O)CO)O)O)F,
,,,5FX:B:1532,valid,Ki,=,25,uM,C([C@H]([C@@H](C(=O)CO)O)O)F,
,,,5FX:C:1532,valid,Ki,=,25,uM,C([C@H]([C@@H](C(=O)CO)O)O)F,
,,,EDO:C:1533,invalid,,,,,C(CO)O,
,,4BC2,,,,,,,
,,,ADP:A:1533,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1533,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1533,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:B:1535,invalid,,,,,C(CO)O,
,,,XUL:A:1534,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:B:1534,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:C:1534,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,4BC4,,,,,,,
,,,EDO:A:1533,invalid,,,,,C(CO)O,
,,,EDO:B:1532,invalid,,,,,C(CO)O,
,,,EDO:C:1532,invalid,,,,,C(CO)O,
,,,XUL:A:1532,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:B:1531,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:C:1531,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,Family. Representative Entry is ,2ITM,,,,,,,
,,,NH4:A:4932,invalid,,,,,[NH4+],
,,,NH4:A:4933,invalid,,,,,[NH4+],
,,,NH4:A:4934,invalid,,,,,[NH4+],
,,,NH4:A:4935,invalid,,,,,[NH4+],
,,,NH4:A:4936,invalid,,,,,[NH4+],
,,,NH4:A:4937,invalid,,,,,[NH4+],
,,,NH4:A:4938,invalid,,,,,[NH4+],
,,,NH4:B:4933,invalid,,,,,[NH4+],
,,,NH4:B:4934,invalid,,,,,[NH4+],
,,,NH4:B:4935,invalid,,,,,[NH4+],
,,,NH4:B:4936,invalid,,,,,[NH4+],
,,,NH4:B:4937,invalid,,,,,[NH4+],
,,,SO4:A:4931,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XUL:A:4930,valid,Kd,=,0.074,mM,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:B:4931,valid,Kd,=,0.074,mM,C([C@H]([C@@H](C(=O)CO)O)O)O,
1.1.3.38,,,,,,,,,
,Family. Representative Entry is ,1E8G,,,,,,,
,,,FAD:A:600,valid,Kd,=,1.8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,Kd,=,1.8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FCR:A:601,valid,,,,,c1cc(ccc1C(F)(F)F)O,
,,,FCR:B:601,valid,,,,,c1cc(ccc1C(F)(F)F)O,
,,1QLU,,,,,,,
,,,EUG:A:601,valid,Kd,=,22,uM,C/C=C/c1ccc(c(c1)OC)O,
,,,EUG:B:601,valid,Kd,=,22,uM,C/C=C/c1ccc(c(c1)OC)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1QLT,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,FAD:A:600,valid,Kd,=,4.6,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,Kd,=,4.6,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5FXD,,,,,,,
,,,H7Y:A:601,valid,,,,,C/C=C/c1ccc(c(c1)OC)O,
,,,H7Y:B:601,valid,,,,,C/C=C/c1ccc(c(c1)OC)O,
,,,GOL:A:1527,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5FXF,,,,,,,
,,,BEZ:B:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:601,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:1528,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1529,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1528,invalid,,,,,C(C(CO)O)O,
,,5FXE,,,,,,,
,,,CIY:B:602,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,CIY:A:602,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,GOL:A:1530,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1528,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1529,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1528,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.14.13.25,,,,,,,,,
,Family. Representative Entry is ,1XVB,,,,,,,
,,,3BR:C:1208,valid,,,,,CCCBr,
,,,3BR:C:1213,valid,,,,,CCCBr,
,,,BBU:A:1209,valid,,,,,CCCCBr,
,,,BBX:B:1204,valid,,,,,CCBr,
,,,BHL:A:1203,valid,,,,,C(CCCBr)CCO,
,,,BHL:A:1206,valid,,,,,C(CCCBr)CCO,
,,,BHL:A:1207,valid,,,,,C(CCCBr)CCO,
,,,BHL:B:1201,valid,,,,,C(CCCBr)CCO,
,,,BHL:B:1202,valid,,,,,C(CCCBr)CCO,
,,,BHL:B:1205,valid,,,,,C(CCCBr)CCO,
,,,BHL:B:1211,valid,,,,,C(CCCBr)CCO,
,,,BHL:B:1212,valid,,,,,C(CCCBr)CCO,
,,,BHL BHL:A:1200,valid,,,,,BrCCCCCCO,
,,,CA:C:1174,Part of Protein,,,,,[Ca+2],
,,,FE:A:1170,Part of Protein,,,,,[Fe+3],
,,,FE:A:1171,Part of Protein,,,,,[Fe+3],
,,,FE:B:1172,Part of Protein,,,,,[Fe+3],
,,,FE:B:1173,Part of Protein,,,,,[Fe+3],
,,1XU3,,,,,,,
,,,BML:A:1292,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:1293,valid,,,,,c1cc(ccc1O)Br,
,,,FE:A:528,Part of Protein,,,,,[Fe+3],
,,,FE:A:529,Part of Protein,,,,,[Fe+3],
,,,FE:B:528,Part of Protein,,,,,[Fe+3],
,,,FE:B:529,Part of Protein,,,,,[Fe+3],
,,1XVD,,,,,,,
,,,FE:A:528,Part of Protein,,,,,[Fe+3],
,,,FE:A:529,Part of Protein,,,,,[Fe+3],
,,,FE:B:528,Part of Protein,,,,,[Fe+3],
,,,FE:B:529,Part of Protein,,,,,[Fe+3],
,,,FPN:A:2666,valid,,,,,c1cc(ccc1O)F,
,,,FPN:B:2667,valid,,,,,c1cc(ccc1O)F,
,,1XVG,,,,,,,
,,,BRJ:A:3803,valid,,,,,C(CBr)O,
,,,BRJ:A:3804,valid,,,,,C(CBr)O,
,,,BRJ:A:3805,valid,,,,,C(CBr)O,
,,,BRJ:A:3806,valid,,,,,C(CBr)O,
,,,BRJ:B:3800,valid,,,,,C(CBr)O,
,,,BRJ:B:3801,valid,,,,,C(CBr)O,
,,,BRJ:B:3802,valid,,,,,C(CBr)O,
,,,BRJ:B:3809,valid,,,,,C(CBr)O,
,,,BRJ:C:3807,valid,,,,,C(CBr)O,
,,,BRJ:C:3808,valid,,,,,C(CBr)O,
,,,BRJ:C:3810,valid,,,,,C(CBr)O,
,,,BRJ:C:3811,valid,,,,,C(CBr)O,
,,,CA:A:1162,Part of Protein,,,,,[Ca+2],
,,,CA:C:1111,Part of Protein,,,,,[Ca+2],
,,,CA:C:1112,Part of Protein,,,,,[Ca+2],
,,,CA:C:1218,Part of Protein,,,,,[Ca+2],
,,,FE:A:528,Part of Protein,,,,,[Fe+3],
,,,FE:A:529,Part of Protein,,,,,[Fe+3],
,,,FE:B:528,Part of Protein,,,,,[Fe+3],
,,,FE:B:529,Part of Protein,,,,,[Fe+3],
,,1XU5,,,,,,,
,,,FE:A:1174,Part of Protein,,,,,[Fe+3],
,,,FE:A:1175,Part of Protein,,,,,[Fe+3],
,,,FE:B:1170,Part of Protein,,,,,[Fe+3],
,,,FE:B:1171,Part of Protein,,,,,[Fe+3],
,,,IPH:A:2667,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:2666,valid,,,,,c1ccc(cc1)O,
,,,OH:A:1177,invalid,,,,,[OH-],
,,,OH:B:1173,invalid,,,,,[OH-],
,,1XVE,,,,,,,
,,,3BB:A:1172,valid,,,,,C=C(CCO)Br,
,,,3BB:A:1173,valid,,,,,C=C(CCO)Br,
,,,3BB:A:1174,valid,,,,,C=C(CCO)Br,
,,,3BB:A:1175,valid,,,,,C=C(CCO)Br,
,,,3BB:B:1176,valid,,,,,C=C(CCO)Br,
,,,3BB:B:1177,valid,,,,,C=C(CCO)Br,
,,,3BB:B:1178,valid,,,,,C=C(CCO)Br,
,,,3BB:C:508,valid,,,,,C=C(CCO)Br,
,,,3BB:C:510,valid,,,,,C=C(CCO)Br,
,,,3BB:D:509,valid,,,,,C=C(CCO)Br,
,,,CA:A:673,Part of Protein,,,,,[Ca+2],
,,,CA:C:674,Part of Protein,,,,,[Ca+2],
,,,FE:A:1170,Part of Protein,,,,,[Fe+3],
,,,FE:A:1171,Part of Protein,,,,,[Fe+3],
,,,FE:B:1174,Part of Protein,,,,,[Fe+3],
,,,FE:B:1175,Part of Protein,,,,,[Fe+3],
,,1XVC,,,,,,,
,,,5BR:A:1628,valid,,,,,CCCCCBr,
,,,BMM:B:1266,valid,,,,,CBr,
,,,BR:A:1028,invalid,,,,,[Br-],
,,,BR:B:1701,invalid,,,,,[Br-],
,,,FE:A:1330,Part of Protein,,,,,[Fe+3],
,,,FE:A:935,Part of Protein,,,,,[Fe+3],
,,,FE:B:1327,Part of Protein,,,,,[Fe+3],
,,,FE:B:1328,Part of Protein,,,,,[Fe+3],
,,,FMT:B:2064,invalid,,,,,C(=O)O,
,,1XVF,,,,,,,
,,,3CL:A:1300,valid,,,,,C(CO)CCl,
,,,3CL:A:1301,valid,,,,,C(CO)CCl,
,,,3CL:A:1302,valid,,,,,C(CO)CCl,
,,,3CL:A:2002,valid,,,,,C(CO)CCl,
,,,3CL:B:1303,valid,,,,,C(CO)CCl,
,,,3CL:B:1304,valid,,,,,C(CO)CCl,
,,,3CL:B:1305,valid,,,,,C(CO)CCl,
,,,3CL:D:1306,valid,,,,,C(CO)CCl,
,,,FE:A:1170,Part of Protein,,,,,[Fe+3],
,,,FE:A:1171,Part of Protein,,,,,[Fe+3],
,,,FE:B:1174,Part of Protein,,,,,[Fe+3],
,,,FE:B:1175,Part of Protein,,,,,[Fe+3],
4.1.3.-,,,,,,,,,
,Family. Representative Entry is ,4EWN,,,,,,,
,,,0VR:D:400,valid,Kd,=,0.2,uM,c1ccc(c(c1)C(=O)O)NC[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6ZA4,,,,,,,
,,,M83:C:501,valid,ic50,=,6.3,uM,c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N,
,,,M83:D:501,valid,ic50,=,6.3,uM,c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N,
,,,M83:A:501,valid,ic50,=,6.3,uM,c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N,
,,,M83:B:501,valid,ic50,=,6.3,uM,c1cc(cc(c1)c2ccc(o2)C(=O)O)C#N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,3ST6,,,,,,,
,,,RVE:A:451,valid,Ki,=,240,uM,C=C(C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVE:B:451,valid,Ki,=,240,uM,C=C(C(=O)O)Oc1cccc(c1O)C(=O)O,
,,3RV6,,,,,,,
,,,MG:A:452,invalid,,,,,[Mg+2],
,,,MG:B:452,invalid,,,,,[Mg+2],
,,,RVA:A:454,valid,Ki,=,21,uM,c1ccc(cc1)/C=C(/C(=O)O)Oc2cccc(c2O)C(=O)O,
,,,RVA:A:455,valid,Ki,=,21,uM,c1ccc(cc1)/C=C(/C(=O)O)Oc2cccc(c2O)C(=O)O,
,,,RVA:B:451,valid,Ki,=,21,uM,c1ccc(cc1)/C=C(/C(=O)O)Oc2cccc(c2O)C(=O)O,
,,,RVA:B:453,valid,Ki,=,21,uM,c1ccc(cc1)/C=C(/C(=O)O)Oc2cccc(c2O)C(=O)O,
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAE:A:451,valid,Ki,=,21,uM,c1ccc(cc1)/C=C(C(=O)O)/Oc2cccc(c2O)C(=O)O,
,,3RV9,,,,,,,
,,,RVD:A:451,valid,Ki,=,12,uM,CC/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVD:B:451,valid,Ki,=,12,uM,CC/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVD:C:451,valid,Ki,=,12,uM,CC/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVD:D:451,valid,Ki,=,12,uM,CC/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,3RV7,,,,,,,
,,,RVB:A:451,valid,Ki,=,14,uM,CC(C)/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVB:B:451,valid,Ki,=,14,uM,CC(C)/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVB:C:451,valid,Ki,=,14,uM,CC(C)/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,RVB:D:451,valid,Ki,=,14,uM,CC(C)/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,2G5F,,,,,,,
,,,GOL:A:4003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4004,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4001,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4006,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:3001,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:3002,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:3003,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:3004,invalid,,,,,c1c[nH+]c[nH]1,
,,,PYR:A:2001,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:2002,valid,,,,,CC(=O)C(=O)O,
,,3VEH,,,,,,,
,,,0GA:A:501,valid,Ki,=,11,uM,C/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,0GA:B:501,valid,Ki,=,11,uM,C/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,0GA:C:501,valid,Ki,=,11,uM,C/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,0GA:D:501,valid,Ki,=,11,uM,C/C=C(/C(=O)O)Oc1cccc(c1O)C(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,PEG:C:505,invalid,,,,,C(COCCO)O,
,,,PEG:C:503,invalid,,,,,C(COCCO)O,
,,,SCN:A:502,invalid,,,,,C(#N)[S-],
,,,SCN:B:502,invalid,,,,,C(#N)[S-],
,,,SCN:C:502,invalid,,,,,C(#N)[S-],
,,6ZA5,,,,,,,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:518,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:519,Part of Protein,,,,,[Mg+2],
,,,SAL:D:502,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:502,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,ACT:A:520,invalid,,,,,CC(=O)[O-],
,,3LOG,,,,,,,
,,,CO3:B:452,invalid,,,,,C(=O)([O-])[O-],
,,,GOL:A:452,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:453,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:451,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:452,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:451,invalid,,,,,C(C(CO)O)O,
,,,NA:B:451,Part of Protein,,,,,[Na+],
,,,SIN:A:450,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:451,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:450,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:450,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:450,valid,,,,,C(CC(=O)O)C(=O)O,
,,3RV8,,,,,,,
,,,RVC:A:451,valid,Ki,=,12,uM,c1cc(c(c(c1)O/C(=CC2CC2)/C(=O)O)O)C(=O)O,
,,,RVC:B:451,valid,Ki,=,12,uM,c1cc(c(c(c1)O/C(=CC2CC2)/C(=O)O)O)C(=O)O,
,,,RVC:C:451,valid,Ki,=,12,uM,c1cc(c(c(c1)O/C(=CC2CC2)/C(=O)O)O)C(=O)O,
,,,RVC:D:451,valid,Ki,=,12,uM,c1cc(c(c(c1)O/C(=CC2CC2)/C(=O)O)O)C(=O)O,
,,,VCE:C:1451,valid,Ki,=,12,uM,c1cc(c(c(c1)O/C(=C/C2CC2)/C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1NVM,,,,,,,
,,,MN:A:3504,Part of Protein,,,,,[Mn+2],
,,,MN:C:3505,Part of Protein,,,,,[Mn+2],
,,,MN:E:3506,Part of Protein,,,,,[Mn+2],
,,,MN:G:3507,Part of Protein,,,,,[Mn+2],
,,,MPD:A:3525,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:3528,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:3524,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:3529,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:3527,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:3526,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:B:3501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:3503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXL:A:3508,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:3509,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:3510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:3511,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,SO4:A:3512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3521,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4NNB,,,,,,,
,,,OAA:A:602,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,4NNC,,,,,,,
,,,OXL:A:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,2KQ:A:603,valid,,,,,C[C@](CC(=O)O)(O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1K0E,,,,,,,
,,,FMT:A:1701,invalid,,,,,C(=O)O,
,,,TRP:A:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:602,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,1K0G,,,,,,,
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRP:A:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:602,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
1.14.16.2,,,,,,,,,
,Family. Representative Entry is ,2TOH,,,,,,,
,,,CL:A:510,invalid,,,,,[Cl-],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HBI:A:500,valid,Ki,=,70,uM,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
3.6.1.46,,,,,,,,,
,Family. Representative Entry is ,1SVK,,,,,,,
,,,ALF GDP:A:357,valid,Kd,=,1.1,nM,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,1GFI,,,,,,,
,,,ALF GDP:A:357,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,4N0E,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PAM,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,SO3:A:402,invalid,,,,,[O-]S(=O)[O-],
,,1AS0,,,,,,,
,,,GSP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,,SO4:A:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GDD,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PAO,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GSP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,1BOF,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,SO4:A:356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4N0D,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SO3:A:401,invalid,,,,,[O-]S(=O)[O-],
,,,GSP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,1SVS,,,,,,,
,,,GNP:A:355,valid,Kd,=,2.3,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,1GIL,,,,,,,
,,,GSP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,3FFA,,,,,,,
,,,GSP:A:1,valid,Kd,=,0.69,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:349,Part of Protein,,,,,[Mg+2],
,,,SO4:A:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CIP,,,,,,,
,,,GNP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,1GIA,,,,,,,
,,,GSP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,1AS3,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PAN,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,SO3:A:402,invalid,,,,,[O-]S(=O)[O-],
,,4PAQ,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GSP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
6.4.1.1,,,,,,,,,
,Family. Representative Entry is ,2QF7,,,,,,,
,,,AGS:A:1162,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:1161,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CL:A:1159,invalid,,,,,[Cl-],
,,,CL:A:1160,invalid,,,,,[Cl-],
,,,CL:B:1159,invalid,,,,,[Cl-],
,,,CL:B:1160,invalid,,,,,[Cl-],
,,,COA:A:1161,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FMT:A:1163,invalid,,,,,C(=O)O,
,,,FMT:B:1163,invalid,,,,,C(=O)O,
,,,GOL:B:1162,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1155,Part of Protein,,,,,[Mg+2],
,,,MG:A:1156,Part of Protein,,,,,[Mg+2],
,,,MG:A:1158,Part of Protein,,,,,[Mg+2],
,,,MG:B:1156,Part of Protein,,,,,[Mg+2],
,,,MG:B:1157,Part of Protein,,,,,[Mg+2],
,,,MG:B:1158,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1157,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1155,Part of Protein,,,,,[Zn+2],
,,3TW6,,,,,,,
,,,ADP:A:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BTI:B:2003,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2,
,,,CL:A:1600,invalid,,,,,[Cl-],
,,,CL:A:1601,invalid,,,,,[Cl-],
,,,CL:B:1600,invalid,,,,,[Cl-],
,,,CL:B:1601,invalid,,,,,[Cl-],
,,,CL:C:1600,invalid,,,,,[Cl-],
,,,CL:C:1601,invalid,,,,,[Cl-],
,,,CL:D:1600,invalid,,,,,[Cl-],
,,,CL:D:1601,invalid,,,,,[Cl-],
,,,COA:A:4011,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:4011,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2005,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2005,Part of Protein,,,,,[Mg+2],
,,,MG:C:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2002,Part of Protein,,,,,[Mg+2],
,,,MG:D:2005,Part of Protein,,,,,[Mg+2],
,,,PAE:C:2003,valid,,,,,C(C(=O)O)P(=O)(O)O,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4LOC,,,,,,,
,,,OXM:B:1105,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:1105,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:1106,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:1105,valid,,,,,C(=O)(C(=O)O)N,
,,,BTN:C:1105,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1104,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:1104,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1104,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,MG:B:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:C:1102,Part of Protein,,,,,[Mg+2],
,,,CL:A:1103,invalid,,,,,[Cl-],
,,,CL:D:1103,invalid,,,,,[Cl-],
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,4M6V,,,,,,,
,,,BYT:C:1107,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:A:1106,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:A:1105,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:D:1106,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:B:1106,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:C:1106,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:D:1105,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,BYT:B:1107,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2,
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,PYR:D:1104,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:1104,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1105,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1105,valid,,,,,CC(=O)C(=O)O,
,,,MG:B:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:C:1103,Part of Protein,,,,,[Mg+2],
,,,CL:A:1103,invalid,,,,,[Cl-],
,,,CL:D:1103,invalid,,,,,[Cl-],
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:B:1104,invalid,,,,,[Cl-],
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5VZ0,,,,,,,
,,,MN:C:1201,Part of Protein,,,,,[Mn+2],
,,,MN:D:1201,Part of Protein,,,,,[Mn+2],
,,,MN:A:1201,Part of Protein,,,,,[Mn+2],
,,,MN:B:1202,Part of Protein,,,,,[Mn+2],
,,,ADP:D:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1203,Part of Protein,,,,,[Mg+2],
,,,MG:D:1203,Part of Protein,,,,,[Mg+2],
,,,MG:B:1204,Part of Protein,,,,,[Mg+2],
,,,2BA:B:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:C:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,5VYZ,,,,,,,
,,,MN:B:1201,Part of Protein,,,,,[Mn+2],
,,,MN:C:1201,Part of Protein,,,,,[Mn+2],
,,,MN:A:1201,Part of Protein,,,,,[Mn+2],
,,,MN:D:1202,Part of Protein,,,,,[Mn+2],
,,,2BA:D:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:A:1204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,MG:D:1204,Part of Protein,,,,,[Mg+2],
,,,MG:B:1203,Part of Protein,,,,,[Mg+2],
,,,MG:A:1203,Part of Protein,,,,,[Mg+2],
,,,MG:C:1203,Part of Protein,,,,,[Mg+2],
,,,ADP:C:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.1.4.3,,,,,,,,,
,Family. Representative Entry is ,1P6D,,,,,,,
,,,3PC:A:601,valid,Ki,=,1.15,mM,CCCCCC(=O)OC[C@H](CCP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC,
,,,ZN:A:246,Part of Protein,,,,,[Zn+2],
,,,ZN:A:247,Part of Protein,,,,,[Zn+2],
,,,ZN:A:248,Part of Protein,,,,,[Zn+2],
,,1P6E,,,,,,,
,,,PC5:A:601,valid,Ki,=,1.21,mM,CCCCC(=O)OC[C@H](COP(=S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC,
,,,ZN:A:246,Part of Protein,,,,,[Zn+2],
,,,ZN:A:247,Part of Protein,,,,,[Zn+2],
,,,ZN:A:248,Part of Protein,,,,,[Zn+2],
1.1.1.141,,,,,,,,,
,Family. Representative Entry is ,2GDZ,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.4.1.16,,,,,,,,,
,Family. Representative Entry is ,3WBF,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,API:B:301,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:A:301,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:C:301,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,NAP:C:308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3WBB,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5GZ6,,,,,,,
,,,SO4:B:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,7C3:A:1002,valid,,,,,C(CCN)CC(=O)C(=O)O,
,,,ACT:B:3001,invalid,,,,,CC(=O)[O-],
,,5GZ3,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,3WYC,,,,,,,
,,,NES:A:1003,invalid,,,,,C(CS(=O)(=O)O)NC(CO)(CO)CO,
,,,NES:B:1003,invalid,,,,,C(CS(=O)(=O)O)NC(CO)(CO)CO,
,,,NES:B:1002,invalid,,,,,C(CS(=O)(=O)O)NC(CO)(CO)CO,
,,,NES:A:1002,invalid,,,,,C(CS(=O)(=O)O)NC(CO)(CO)CO,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1F06,,,,,,,
,,,2NP:B:950,valid,Ki,=,5,uM,C=C(CCC[C@@H](C(=O)O)N)C(=O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DAP,,,,,,,
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3DAP,,,,,,,
,,,DA3:B:950,valid,,,,,C1[C@@H](ON=C1C(=O)O)C[C@@H](C(=O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2DAP,,,,,,,
,,,API:A:902,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
1.8.98.1,,,,,,,,,
,Family. Representative Entry is ,5ODQ,,,,,,,
,,,SF4:K:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:711,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:710,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE:G:705,Part of Protein,,,,,[Fe+3],
,,,FE:F:503,Part of Protein,,,,,[Fe+3],
,,,FE:L:503,Part of Protein,,,,,[Fe+3],
,,,PE3:F:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:L:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:G:702,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,9S8:H:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:H:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,GOL:H:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,ACT:G:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:G:703,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,TRS:D:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,9SB:H:303,valid,,,,,C(CBr)S(=O)(=O)O,
,,,9SB:B:304,valid,,,,,C(CBr)S(=O)(=O)O,
,,,9SB:B:303,valid,,,,,C(CBr)S(=O)(=O)O,
,,,9SB:H:304,valid,,,,,C(CBr)S(=O)(=O)O,
,,,NFU:L:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,NFU:F:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,5ODR,,,,,,,
,,,SF4:K:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:703,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:710,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:704,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PE3:F:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:F:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:L:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:G:701,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FE:F:505,Part of Protein,,,,,[Fe+3],
,,,FE:G:703,Part of Protein,,,,,[Fe+3],
,,,FE:L:503,Part of Protein,,,,,[Fe+3],
,,,GOL:I:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,9S8:H:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:H:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,COM:B:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:H:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,ACT:F:504,invalid,,,,,CC(=O)[O-],
,,,ACT:G:702,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,ACT:E:301,invalid,,,,,CC(=O)[O-],
,,,NFU:L:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,NFU:F:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TP7:H:304,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,5ODH,,,,,,,
,,,SF4:K:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:703,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:703,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PE3:F:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:L:501,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:F:501,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:708,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:709,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:711,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,9S8:H:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:H:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,COM:B:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:H:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,FE:F:504,Part of Protein,,,,,[Fe+3],
,,,FE:G:708,Part of Protein,,,,,[Fe+3],
,,,FE:L:503,Part of Protein,,,,,[Fe+3],
,,,GOL:G:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NFU:L:502,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,NFU:F:503,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,ACT:G:710,invalid,,,,,CC(=O)[O-],
,,,ACT:G:709,invalid,,,,,CC(=O)[O-],
,,,TRS:D:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TP7:H:304,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,5ODI,,,,,,,
,,,SF4:K:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:703,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:704,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE:L:502,Part of Protein,,,,,[Fe+3],
,,,FE:F:502,Part of Protein,,,,,[Fe+3],
,,,9S8:H:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:H:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,,COM:B:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:H:303,valid,,,,,C(CS(=O)(=O)O)S,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRS:D:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NFU:L:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,NFU:F:501,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,PE3:G:701,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ACT:G:702,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,5ODC,,,,,,,
,,,SF4:K:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:705,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:710,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:708,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:707,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:710,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:709,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:201,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:202,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:706,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:203,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:G:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NFU:F:504,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,NFU:L:502,invalid,,,,,C(=O)[Fe](C#N)(C#N)[Ni],
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,ACT:F:503,invalid,,,,,CC(=O)[O-],
,,,ACT:G:704,invalid,,,,,CC(=O)[O-],
,,,ACT:G:703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,9S8:H:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:301,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:H:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,9S8:B:302,invalid,,,,,S1[Fe][S]2[Fe]13S[Fe][S]3[Fe]2,
,,,NA:G:702,Part of Protein,,,,,[Na+],
,,,NA:A:702,invalid,,,,,[Na+],
,,,TRS:D:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PE3:A:704,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CA:L:501,Part of Protein,,,,,[Ca+2],
,,,CA:F:501,Part of Protein,,,,,[Ca+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:I:201,invalid,,,,,[Mg+2],
4.2.1.52,,,,,,,,,
,Family. Representative Entry is ,3I7S,,,,,,,
,,,GOL:A:293,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:294,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:297,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:293,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:294,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:297,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,K:A:295,Part of Protein,,,,,[K+],
,,,K:A:296,Part of Protein,,,,,[K+],
,,,K:B:295,Part of Protein,,,,,[K+],
,,,K:B:296,Part of Protein,,,,,[K+],
,,,K:B:298,Part of Protein,,,,,[K+],
,,,K:B:299,Part of Protein,,,,,[K+],
,,,PO4:A:299,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:298,valid,Kd,=,0.0299,mM,CC(=O)C(=O)O,
,,,PYR:B:302,valid,Kd,=,0.0299,mM,CC(=O)C(=O)O,
,,1YXD,,,,,,,
,,,CL:A:1302,invalid,,,,,[Cl-],
,,,CL:B:2302,invalid,,,,,[Cl-],
,,,K:A:1301,Part of Protein,,,,,[K+],
,,,K:B:2301,Part of Protein,,,,,[K+],
,,,LYS:B:1300,valid,Ki,~,22,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:2300,valid,Ki,~,22,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:3301,valid,Ki,~,22,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
2.7.7.50,,,,,,,,,
,Family. Representative Entry is ,1CKM,,,,,,,
,,,GTP:A:899,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1CKN,,,,,,,
,,,GTP:A:899,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,SO4:B:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4PZ6,,,,,,,
,,,GMP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
6.3.1.8,,,,,,,,,
,Family. Representative Entry is ,3A2Y,,,,,,,
,,,TS5:A:198,valid,,,,,C(CCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,2IO8,,,,,,,
,,,ADP:A:5001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:5002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CYS:A:5003,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:5004,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,MG:A:7001,Part of Protein,,,,,[Mg+2],
,,,MG:A:7002,Part of Protein,,,,,[Mg+2],
,,,MG:B:7003,Part of Protein,,,,,[Mg+2],
,,,MG:B:7004,Part of Protein,,,,,[Mg+2],
,,2IO9,,,,,,,
,,,ADP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GSH:A:5001,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:5002,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:7001,Part of Protein,,,,,[Mg+2],
,,,MG:A:7002,Part of Protein,,,,,[Mg+2],
,,,MG:B:7003,Part of Protein,,,,,[Mg+2],
,,,MG:B:7004,Part of Protein,,,,,[Mg+2],
3.5.1.11,,,,,,,,,
,Family. Representative Entry is ,1AJQ,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,SPA:B:559,valid,Ki,=,0.049,mM,c1cc(sc1)CC(=O)O,
,,1GM7,,,,,,,
,,,CA:B:1576,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1210,invalid,,,,,C(CO)O,
,,,EDO:A:1211,invalid,,,,,C(CO)O,
,,,EDO:B:1558,invalid,,,,,C(CO)O,
,,,EDO:B:1559,invalid,,,,,C(CO)O,
,,,EDO:B:1560,invalid,,,,,C(CO)O,
,,,EDO:B:1561,invalid,,,,,C(CO)O,
,,,EDO:B:1562,invalid,,,,,C(CO)O,
,,,EDO:B:1563,invalid,,,,,C(CO)O,
,,,EDO:B:1564,invalid,,,,,C(CO)O,
,,,EDO:B:1565,invalid,,,,,C(CO)O,
,,,EDO:B:1566,invalid,,,,,C(CO)O,
,,,EDO:B:1567,invalid,,,,,C(CO)O,
,,,EDO:B:1568,invalid,,,,,C(CO)O,
,,,EDO:B:1569,invalid,,,,,C(CO)O,
,,,EDO:B:1570,invalid,,,,,C(CO)O,
,,,EDO:B:1571,invalid,,,,,C(CO)O,
,,,EDO:B:1572,invalid,,,,,C(CO)O,
,,,EDO:B:1573,invalid,,,,,C(CO)O,
,,,EDO:B:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1575,invalid,,,,,C(CO)O,
,,,PNN:B:1577,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1K7D,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,GRO:B:601,valid,Ki,=,0.47,mM,C[C@H](c1ccccc1)C(=O)O,
,,1KEC,,,,,,,
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,GRO:B:601,valid,Ki,=,0.2,mM,C[C@H](c1ccccc1)C(=O)O,
,,1GM9,,,,,,,
,,,CA:B:1568,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1210,invalid,,,,,C(CO)O,
,,,EDO:B:1558,invalid,,,,,C(CO)O,
,,,EDO:B:1559,invalid,,,,,C(CO)O,
,,,EDO:B:1560,invalid,,,,,C(CO)O,
,,,EDO:B:1561,invalid,,,,,C(CO)O,
,,,EDO:B:1562,invalid,,,,,C(CO)O,
,,,EDO:B:1563,invalid,,,,,C(CO)O,
,,,EDO:B:1564,invalid,,,,,C(CO)O,
,,,EDO:B:1565,invalid,,,,,C(CO)O,
,,,EDO:B:1566,invalid,,,,,C(CO)O,
,,,EDO:B:1567,invalid,,,,,C(CO)O,
,,,SOX:B:1569,valid,,,,,CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1AI5,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,MNP:B:559,valid,Ki,=,0.189,mM,c1cc(cc(c1)[N+](=O)[O-])CC(=O)O,
,,1AJN,,,,,,,
,,,AAN:B:559,valid,Ki,=,2.32,mM,c1cc(ccc1CC(=O)O)[N+](=O)[O-],
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,1PNL,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,PAC:B:559,valid,,,,,c1ccc(cc1)CC(=O)O,
,,1K5Q,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,PAC:B:559,valid,Ki,=,1.1,mM,c1ccc(cc1)CC(=O)O,
,,1FXH,,,,,,,
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,PAC:B:1001,valid,,,,,c1ccc(cc1)CC(=O)O,
,,1AI4,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,DHY:B:559,valid,Ki,=,3.13,mM,c1cc(c(cc1CC(=O)O)O)O,
,,1FXV,,,,,,,
,,,CA:B:2001,Part of Protein,,,,,[Ca+2],
,,,PNN:B:1001,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1AJP,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,OMD:A:210,valid,Ki,=,5.85,mM,c1cc(c(cc1O)CC(=O)O)O,
,,1K5S,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,GRO:B:601,valid,Ki,=,0.124,mM,C[C@H](c1ccccc1)C(=O)O,
,,1GM8,,,,,,,
,,,CA:B:1558,Part of Protein,,,,,[Ca+2],
,,,SOX:B:1559,valid,,,,,CC1([C@@H](N2[C@H]([S@H]1O)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1AI7,,,,,,,
,,,CA:B:558,Part of Protein,,,,,[Ca+2],
,,,IPH:B:559,valid,Ki,=,0.082,mM,c1ccc(cc1)O,
1.3.7.7,,,,,,,,,
,Family. Representative Entry is ,2YNM,,,,,,,
,,,SF4:A:1302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1413,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,EPE:B:1296,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1297,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1298,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:1529,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1297,Part of Protein,,,,,[Mg+2],
,,,ADP AF3:B:1298,valid,,,,,,
,,,ADP AF3:A:1299,valid,,,,,,
,,,PMR:C:1414,valid,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(=C9CCC(=O)O)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C,
,,,GOL:D:1532,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1530,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1412,invalid,,,,,C(C(CO)O)O,
,,,K:D:1531,Part of Protein,,,,,[K+],
,,,1PE:A:1296,invalid,,,,,C(COCCOCCOCCOCCO)O,
3.4.23.25,,,,,,,,,
,Family. Representative Entry is ,1FQ5,,,,,,,
,,,0GM:A:338,valid,Ki,=,4,nM,CC(C)C[C@H]1[C@H](CC(=O)N[C@H](C(=O)NCc2cccc(c2)CNC(=O)CC[C@@H](C(=O)N1)NC(=O)C(Cc3cccc4c3cccc4)Cc5cccc6c5cccc6)CC(C)C)O,
,,,NAG NAG MAN MAN BMA:B:1,Part of Protein,,,,,,
,,,NAG:A:337,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2JXR,,,,,,,
,,,2Z3:A:327,valid,Ki,=,90,nM,NULL,
,,,NAG NAG BMA BMA MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:337,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1G0V,,,,,,,
,,,MAN:A:335,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN BMA MAN:C:1,Part of Protein,,,,,,
2.7.7.18,,,,,,,,,
,Family. Representative Entry is ,1K4M,,,,,,,
,,,CIT:A:604,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:605,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:606,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1YUM,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:2301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:3301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NCN:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,NCN:B:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,NCN:C:2302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,NCN:D:3302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,1YUN,,,,,,,
,,,ATP:A:223,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1220,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:230,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5LLT,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,DND:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,5LM3,,,,,,,
,,,APC:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2QTR,,,,,,,
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DND:A:191,valid,Kd,=,3.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:192,valid,Kd,=,3.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:C:191,valid,Kd,=,3.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,3HFJ,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,DZ9:A:202,valid,ic50,=,36,uM,c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N,
,,2QTN,,,,,,,
,,,GOL:A:191,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:192,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:193,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:192,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:193,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:194,invalid,,,,,C(C(CO)O)O,
,,,MG:A:190,Part of Protein,,,,,[Mg+2],
,,,MG:B:190,Part of Protein,,,,,[Mg+2],
,,,NCN:B:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,3MLB,,,,,,,
,,,FMT:A:191,invalid,,,,,C(=O)O,
,,,FMT:B:191,invalid,,,,,C(=O)O,
,,,K:A:190,Part of Protein,,,,,[K+],
,,,K:B:190,Part of Protein,,,,,[K+],
,,,LJZ:A:192,valid,ic50,=,16,uM,c1cc(c(cc1)Cl)NC(=O)CCC(=O)/N=N/C=C2C=CC(=C/N=N/C(=O)CCC(=O)Nc3c(cccc3)Cl)C=C2,
,Family. Representative Entry is ,2H29,,,,,,,
,,,DND:A:998,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:999,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,2H2A,,,,,,,
,,,CA:A:1304,Part of Protein,,,,,[Ca+2],
,,,DND:A:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
1.2.1.80,,,,,,,,,
,Family. Representative Entry is ,6JZU,,,,,,,
,,,PL3:B:301,valid,Kd,=,2.2,uM,CCCCCCCCCCCCCCCCO,
,,,FE2:B:302,Part of Protein,,,,,[Fe+2],
,,,FE2:B:303,Part of Protein,,,,,[Fe+2],
,,,OCD:A:500,invalid,,,,,CCCCCCCCCCCCCCCCCC=O,
,,6JZY,,,,,,,
,,,PL3:B:301,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,OCD:A:402,invalid,,,,,CCCCCCCCCCCCCCCCCC=O,
,,,FE2:B:303,Part of Protein,,,,,[Fe+2],
,,,FE2:B:302,Part of Protein,,,,,[Fe+2],
,,,NDP:A:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.9.3.1,,,,,,,,,
,Family. Representative Entry is ,2DYS,,,,,,,
,,,CDL:C:309,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:P:309,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:102,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CHD:B:304,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:304,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:310,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:101,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:O:302,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:304,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:310,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:W:101,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,,,CU:N:601,Part of Protein,,,,,[Cu+2],
,,,CUA:B:301,Part of Protein,,,,,[Cu][Cu],
,,,CUA:O:301,Part of Protein,,,,,[Cu][Cu],
,,,DCW:C:301,Part of Protein,,,,,C1CCC(CC1)NC(=O)NC2CCCCC2,
,,,DCW:P:301,Part of Protein,,,,,C1CCC(CC1)NC(=O)NC2CCCCC2,
,,,DMU:C:302,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:302,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:Z:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,HEA:A:604,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:605,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:604,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:605,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:N:602,Part of Protein,,,,,[Mg+2],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:N:603,Part of Protein,,,,,[Na+],
,,,PEK:C:305,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:306,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:305,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:306,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:T:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PGV:A:606,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:607,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:307,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:N:608,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:N:609,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:307,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PSC:B:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:O:304,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,TGL:B:302,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:D:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:N:606,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:N:607,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:O:303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,UNX:C:303,invalid,,,,,*,
,,,UNX:P:303,invalid,,,,,*,
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,ZN:S:101,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3DTU,,,,,,,
,,,CA:A:1007,Part of Protein,,,,,[Ca+2],
,,,CA:C:571,Part of Protein,,,,,[Ca+2],
,,,CD:B:1008,invalid,,,,,[Cd+2],
,,,CD:B:1009,invalid,,,,,[Cd+2],
,,,CD:B:1010,invalid,,,,,[Cd+2],
,,,CD:D:8,invalid,,,,,[Cd+2],
,,,CD:D:9,invalid,,,,,[Cd+2],
,,,CU:A:1023,Part of Protein,,,,,[Cu+2],
,,,CU:B:1004,Part of Protein,,,,,[Cu+2],
,,,CU:B:1022,Part of Protein,,,,,[Cu+2],
,,,CU:C:569,Part of Protein,,,,,[Cu+2],
,,,CU:D:3,Part of Protein,,,,,[Cu+2],
,,,CU:D:4,Part of Protein,,,,,[Cu+2],
,,,DMU:A:1002,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1004,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1005,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:567,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1003,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1011,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:567,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:568,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:D:11,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DXC:C:576,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,HEA:A:1502,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:1503,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:C:574,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:C:575,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HTO:B:1,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,,MG:C:570,Part of Protein,,,,,[Mg+2],
,,,OH:A:1501,invalid,,,,,[OH-],
,,,OH:C:572,invalid,,,,,[OH-],
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:573,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRD:A:1009,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1010,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1013,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1014,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1015,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1504,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1505,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:1506,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:B:1012,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:B:1023,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:B:1031,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:577,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:578,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:579,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:580,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:581,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:582,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:583,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:C:584,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:D:12,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:D:23,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:D:288,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:D:7,invalid,,,,,CCCCCCCCCCCCC,
,Family. Representative Entry is ,5Z84,,,,,,,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:N:604,Part of Protein,,,,,[Cu+2],
,,,EDO:T:104,invalid,,,,,C(CO)O,
,,,EDO:N:613,invalid,,,,,C(CO)O,
,,,EDO:O:305,invalid,,,,,C(CO)O,
,,,EDO:C:314,invalid,,,,,C(CO)O,
,,,EDO:N:620,invalid,,,,,C(CO)O,
,,,EDO:E:204,invalid,,,,,C(CO)O,
,,,EDO:J:102,invalid,,,,,C(CO)O,
,,,EDO:N:617,invalid,,,,,C(CO)O,
,,,EDO:N:611,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:C:320,invalid,,,,,C(CO)O,
,,,EDO:U:101,invalid,,,,,C(CO)O,
,,,EDO:P:313,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:F:105,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:H:101,invalid,,,,,C(CO)O,
,,,EDO:R:206,invalid,,,,,C(CO)O,
,,,EDO:G:105,invalid,,,,,C(CO)O,
,,,EDO:N:618,invalid,,,,,C(CO)O,
,,,EDO:S:103,invalid,,,,,C(CO)O,
,,,EDO:N:621,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:D:206,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:D:207,invalid,,,,,C(CO)O,
,,,EDO:V:101,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:E:205,invalid,,,,,C(CO)O,
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:R:203,invalid,,,,,C(CO)O,
,,,EDO:L:103,invalid,,,,,C(CO)O,
,,,EDO:C:313,invalid,,,,,C(CO)O,
,,,EDO:R:202,invalid,,,,,C(CO)O,
,,,EDO:N:614,invalid,,,,,C(CO)O,
,,,EDO:C:312,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:N:616,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:F:104,invalid,,,,,C(CO)O,
,,,EDO:Q:203,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:R:205,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:R:204,invalid,,,,,C(CO)O,
,,,EDO:H:102,invalid,,,,,C(CO)O,
,,,EDO:F:102,invalid,,,,,C(CO)O,
,,,EDO:P:311,invalid,,,,,C(CO)O,
,,,EDO:E:202,invalid,,,,,C(CO)O,
,,,EDO:S:102,invalid,,,,,C(CO)O,
,,,EDO:Q:202,invalid,,,,,C(CO)O,
,,,EDO:C:318,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:P:310,invalid,,,,,C(CO)O,
,,,EDO:E:203,invalid,,,,,C(CO)O,
,,,EDO:C:316,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:G:104,invalid,,,,,C(CO)O,
,,,EDO:N:619,invalid,,,,,C(CO)O,
,,,EDO:C:319,invalid,,,,,C(CO)O,
,,,EDO:F:103,invalid,,,,,C(CO)O,
,,,EDO:N:622,invalid,,,,,C(CO)O,
,,,EDO:C:315,invalid,,,,,C(CO)O,
,,,EDO:R:201,invalid,,,,,C(CO)O,
,,,EDO:C:317,invalid,,,,,C(CO)O,
,,,EDO:P:312,invalid,,,,,C(CO)O,
,,,EDO:N:615,invalid,,,,,C(CO)O,
,,,EDO:O:303,invalid,,,,,C(CO)O,
,,,EDO:N:612,invalid,,,,,C(CO)O,
,,,EDO:O:304,invalid,,,,,C(CO)O,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:307,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:W:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:305,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:G:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:603,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,PEK:C:304,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:T:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:307,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:T:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:308,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,TGL:N:610,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:Y:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:A:608,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:Q:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:D:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PGV:Z:101,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:103,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:610,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:609,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:305,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:309,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:N:609,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:N:605,Part of Protein,,,,,[Mg+2],
,,,ZN:S:101,Part of Protein,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,CDL:N:601,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:C:306,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:P:304,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:103,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DMU:L:102,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:309,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:311,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:Z:102,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:310,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:308,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:306,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:302,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,AZI:A:607,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:606,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:N:607,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:N:608,invalid,,,,,[N-]=[N+]=[N-],
,,,CUA:O:301,Part of Protein,,,,,[Cu][Cu],
,,,CUA:B:302,Part of Protein,,,,,[Cu][Cu],
,,,UNX:C:303,invalid,,,,,*,
,,,UNX:P:302,invalid,,,,,*,
,,,PSC:B:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:O:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,NA:N:606,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6JY3,,,,,,,
,,,CQX:A:611,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:A:609,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:C:306,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:B:304,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:B:303,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:C:307,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:G:101,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:A:610,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PEK:C:303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,CDL:C:305,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:A:606,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:B:301,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,PGV:A:608,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:304,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PER:A:607,invalid,,,,,[O-][O-],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CUA:B:302,Part of Protein,,,,,[Cu][Cu],
,,6JY4,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,PGV:C:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:607,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,CQX:A:609,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:C:306,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:A:606,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:B:303,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:C:305,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:G:102,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CQX:A:608,valid,,,,,CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,CDL:B:301,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:L:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:C:304,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,PEK:G:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,CUA:B:302,Part of Protein,,,,,[Cu][Cu],
,Family. Representative Entry is ,5WAU,,,,,,,
,,,CUA:B:302,Part of Protein,,,,,[Cu][Cu],
,,,CUA:B:301,Part of Protein,,,,,[Cu][Cu],
,,,CHD:C:306,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:303,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:308,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:303,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:G:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,TGL:D:201,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:B:302,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:A:609,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:A:608,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DMU:C:308,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:309,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CDL:C:305,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:C:307,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:102,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,PGV:C:306,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:304,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:606,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:303,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:607,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PEK:C:302,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:307,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:304,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:301,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:305,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PSC:B:303,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:E:201,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,CMO:A:610,invalid,,,,,[C-]#[O+],
,,,CMO:A:608,invalid,,,,,[C-]#[O+],
,,,ZN:F:101,invalid,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,SAC:I:101,invalid,,,,,CC(=O)N[C@@H](CO)C(=O)O,
,,,FME:B:301,invalid,,,,,CSCC[C@@H](C(=O)O)NC=O,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2Y69,,,,,,,
,,,CHD:A:1517,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:1265,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:G:1085,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:N:1517,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:1265,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:T:1085,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CU:A:517,Part of Protein,,,,,[Cu+2],
,,,CU:N:517,Part of Protein,,,,,[Cu+2],
,,,CUA:B:228,Part of Protein,,,,,[Cu][Cu],
,,,CUA:O:228,Part of Protein,,,,,[Cu][Cu],
,,,DMU:M:1044,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:Z:1043,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,HEA:A:515,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:516,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:515,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:516,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,MG:A:1516,Part of Protein,,,,,[Mg+2],
,,,MG:N:1516,Part of Protein,,,,,[Mg+2],
,,,OXY:A:1515,invalid,,,,,O=O,
,,,OXY:N:1515,invalid,,,,,O=O,
,,,PEK:C:1262,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:1262,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PGV:C:1263,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:1264,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:1263,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:1264,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,ZN:F:1097,Part of Protein,,,,,[Zn+2],
,,,ZN:S:1097,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5ZCO,,,,,,,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:N:604,Part of Protein,,,,,[Cu+2],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:N:616,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:N:613,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:N:620,invalid,,,,,C(CO)O,
,,,EDO:E:204,invalid,,,,,C(CO)O,
,,,EDO:F:104,invalid,,,,,C(CO)O,
,,,EDO:N:617,invalid,,,,,C(CO)O,
,,,EDO:Y:102,invalid,,,,,C(CO)O,
,,,EDO:M:102,invalid,,,,,C(CO)O,
,,,EDO:N:611,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:F:102,invalid,,,,,C(CO)O,
,,,EDO:G:105,invalid,,,,,C(CO)O,
,,,EDO:T:103,invalid,,,,,C(CO)O,
,,,EDO:N:618,invalid,,,,,C(CO)O,
,,,EDO:P:311,invalid,,,,,C(CO)O,
,,,EDO:E:202,invalid,,,,,C(CO)O,
,,,EDO:S:102,invalid,,,,,C(CO)O,
,,,EDO:S:103,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:P:310,invalid,,,,,C(CO)O,
,,,EDO:E:203,invalid,,,,,C(CO)O,
,,,EDO:G:104,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:F:103,invalid,,,,,C(CO)O,
,,,EDO:N:619,invalid,,,,,C(CO)O,
,,,EDO:R:201,invalid,,,,,C(CO)O,
,,,EDO:N:614,invalid,,,,,C(CO)O,
,,,EDO:P:312,invalid,,,,,C(CO)O,
,,,EDO:N:615,invalid,,,,,C(CO)O,
,,,EDO:O:303,invalid,,,,,C(CO)O,
,,,EDO:N:612,invalid,,,,,C(CO)O,
,,,EDO:L:102,invalid,,,,,C(CO)O,
,,,PGV:A:609,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:608,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:Z:101,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:308,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:N:609,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:304,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:U:101,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PEK:G:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:307,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:309,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:T:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:103,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:307,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,DMU:C:310,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:308,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:309,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:311,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:306,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:Z:102,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:302,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PSC:E:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:O:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,CHD:B:302,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:W:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:305,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:G:102,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:306,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,UNX:P:302,invalid,,,,,*,
,,,UNX:C:303,invalid,,,,,*,
,,,HEA:N:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:603,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,CDL:P:304,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:N:601,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:102,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:C:305,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,AZI:A:606,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:N:607,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:607,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:N:608,invalid,,,,,[N-]=[N+]=[N-],
,,,TGL:N:610,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:Y:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:Q:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:D:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:B:301,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,NA:N:606,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:N:605,Part of Protein,,,,,[Mg+2],
,,,ZN:S:101,Part of Protein,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,CUA:O:301,Part of Protein,,,,,[Cu][Cu],
,,,CUA:B:303,Part of Protein,,,,,[Cu][Cu],
,Family. Representative Entry is ,2DYR,,,,,,,
,,,CDL:C:270,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:269,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:P:1270,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:T:1269,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CHD:B:1086,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:271,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:525,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:60,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:O:229,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:1271,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:P:1525,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:W:1060,invalid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CU:A:517,Part of Protein,,,,,[Cu+2],
,,,CU:N:517,Part of Protein,,,,,[Cu+2],
,,,CUA:B:228,Part of Protein,,,,,[Cu][Cu],
,,,CUA:O:228,Part of Protein,,,,,[Cu][Cu],
,,,DMU:C:272,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:526,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:P:1272,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:Z:1526,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,HEA:A:515,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:516,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:515,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:N:516,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,MG:A:518,Part of Protein,,,,,[Mg+2],
,,,MG:N:1518,Part of Protein,,,,,[Mg+2],
,,,NA:A:519,Part of Protein,,,,,[Na+],
,,,NA:N:1519,Part of Protein,,,,,[Na+],
,,,PEK:C:264,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:265,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:1263,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:1264,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:P:1265,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:T:263,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PGV:A:524,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:525,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:267,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:268,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:N:1266,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:1267,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:P:1268,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:Z:1524,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PSC:B:230,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:O:1230,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,TGL:B:521,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:D:523,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:522,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:N:1521,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:N:1522,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:Q:1523,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,UNX:C:262,invalid,,,,,*,
,,,UNX:P:1262,invalid,,,,,*,
,,,ZN:F:99,Part of Protein,,,,,[Zn+2],
,,,ZN:S:99,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5W97,,,,,,,
,,,CUA:B:302,Part of Protein,,,,,[Cu][Cu],
,,,CUA:B:301,Part of Protein,,,,,[Cu][Cu],
,,,CHD:C:306,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:302,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:303,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:301,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:101,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,TGL:D:201,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:L:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:A:608,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:A:606,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,TGL:I:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DMU:M:101,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:307,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:M:401,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CDL:C:305,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:101,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:G:103,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,HEA:A:601,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,HEA:A:602,Part of Protein,,,,,Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C7=C2)[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C)CCC(=O)O)C,
,,,PGV:C:304,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:G:103,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:606,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:303,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:607,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:C:301,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PEK:C:308,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:302,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:309,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:G:102,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,PEK:C:303,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC,
,,,CMO:A:609,invalid,,,,,[C-]#[O+],
,,,CMO:A:608,invalid,,,,,[C-]#[O+],
,,,PSC:B:302,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,PSC:E:201,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=CCCCCC,
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
1.14.-.-,,,,,,,,,
,Family. Representative Entry is ,6RQ8,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,KEH:A:403,valid,Kd,=,0.28,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)I)O)O,
,,4G45,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MQN:A:407,valid,Kd,=,400,uM,Cc1ccc2cc(ccc2n1)N,
,,,MQN:A:408,valid,Kd,=,400,uM,Cc1ccc2cc(ccc2n1)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4IQ7,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1G9:A:406,valid,Kd,=,1561,uM,C[C@H]1C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O,
,,5IBF,,,,,,,
,,,69W:A:404,valid,Kd,=,140,uM,c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N,
,,,69W:A:403,valid,Kd,=,140,uM,c1cc(cc(c1)c2cn[nH]c2N)c3cccc(c3)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4IPW,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1G7:A:406,valid,Kd,=,14.5,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)O)O)O,
,,,PO4:A:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5IBD,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GGJ:A:407,valid,,,,,COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N,
,,4G46,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TTY:A:406,valid,Kd,~,3,mM,c1c(c2c(o1)CCCC2=O)C(=O)O,
,,4IPS,,,,,,,
,,,1G4:A:404,valid,Kd,=,657,uM,c1cc(ccc1C[C@H]2CN[C@H](C(=O)N2)Cc3ccc(cc3)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5IBG,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,69S:A:404,valid,Kd,=,4.5,uM,c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O,
,,,69S:A:405,valid,Kd,=,4.5,uM,c1cc(cc(c1)N)c2cc(ccc2O)c3c(n[nH]c3N)c4ccc(cc4)O,
,,,HEM:A:403,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6GEO,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EW2:A:405,valid,Kd,=,3.31,uM,c1ccc(cc1)n2cc(c(n2)c3c4ccccc4[nH]c3Cl)Cn5ccnc5,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4KTJ,,,,,,,
,,,KTJ:A:404,valid,Kd,=,1.9,mM,c1cc(ccc1c2c[nH]nc2N)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GEQ,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EW5:A:402,valid,Kd,=,218.6,uM,c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5OPA,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,A2W:A:405,valid,Kd,=,4.16,uM,c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)Cn4ccnc4,
,,6RQ5,,,,,,,
,,,KEB:A:402,valid,Kd,=,15.1,uM,Cc1cc(cc(c1O)C)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:403,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:401,valid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6RQ0,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KE2:A:403,valid,Kd,=,1.1,uM,Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4KTK,,,,,,,
,,,KTK:A:404,valid,Kd,=,180,uM,c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O,
,,,KTK:A:405,valid,Kd,=,180,uM,c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5IBH,,,,,,,
,,,69R:A:406,valid,Kd,=,275,uM,c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O,
,,,69R:A:405,valid,Kd,=,275,uM,c1cc(ccc1c2c(n[nH]c2NCc3c[nH]cn3)c4ccc(cc4)O)O,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5O4L,,,,,,,
,,,9KB:A:403,valid,,,,,c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)F,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KTF,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1TM:A:406,valid,Kd,=,40,uM,c1cc(ccc1c2c([nH]nc2N)c3ccc(cc3)O)O,
,,4IQ9,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1GB:A:410,valid,Kd,=,39,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4ccc(cc4)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4ICT,,,,,,,
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1ED:A:406,valid,Kd,=,45.6,uM,c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O,
,,5IBI,,,,,,,
,,,69U:A:404,valid,Kd,=,6.3,uM,c1cc(ccc1CNc2c(c(n[nH]2)c3ccc(cc3)O)c4ccc(cc4)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4KTL,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1CQ:A:407,valid,Kd,=,15,uM,c1cc(ccc1c2c([nH]nc2Nc3ccc(cc3)O)c4ccc(cc4)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6RQ9,,,,,,,
,,,KEQ:A:403,valid,Kd,=,10.4,uM,COc1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5OP9,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BZ6:A:405,valid,Kd,=,11.4,uM,COc1ccc(cc1)c2c(cn(n2)c3ccccc3)Cn4ccnc4,
,,5O4K,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9KE:A:405,valid,,,,,c1cc(ccc1CN2CCN(CC2=O)CCCn3ccnc3)Cl,
,,6RQ3,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:408,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,OUC:A:401,valid,,,,,Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)C)O,
,,6RQD,,,,,,,
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KEW:A:404,valid,Kd,=,1.5,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Cl)O)O,
,,6RQE,,,,,,,
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KEZ:A:404,valid,,,,,C#Cc1cc(ccc1O)C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4G44,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TZM:A:405,valid,Kd,=,1.6,mM,c1cc(cc(c1)N)Cn2cncn2,
,,,TZM:A:406,valid,Kd,=,1.6,mM,c1cc(cc(c1)N)Cn2cncn2,
,,6RQ1,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,KE5:A:403,valid,Kd,=,39.8,uM,Cc1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O,
,,1N4G,,,,,,,
,,,HEM:A:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PYZ:A:600,valid,,,,,c1c(cn[nH]1)I,
,,4G1X,,,,,,,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQU:A:409,valid,Kd,=,28,uM,c1cc2c(cc1N)c(ccn2)n3cncn3,
,,,TQU:A:410,valid,Kd,=,28,uM,c1cc2c(cc1N)c(ccn2)n3cncn3,
,,5EDT,,,,,,,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5MK:A:402,valid,Kd,=,3.4,mM,c1cc(c(cc1Cl)C(=O)N)N,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4G48,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PZB:A:405,valid,Kd,=,500,uM,c1ccc(cc1)Oc2c[nH]nc2c3ccc(cc3O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6RQ6,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,R2H:A:408,valid,Kd,=,12.8,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)F)O)O,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6RQB,,,,,,,
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Q47:A:404,valid,Kd,=,0.46,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(c(c3)Br)O)O,
,,5IBE,,,,,,,
,,,MES:A:408,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,69M:A:403,valid,Kd,=,0.74,uM,c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4G2G,,,,,,,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDH:A:408,valid,Kd,~,2.8,mM,c1cc(ccc1c2cnnn2c3ccc(cc3)O)O,
,,5WP2,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYN:A:403,invalid,,,,,[C-]#N,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,YTT:A:402,valid,Kd,=,10.5,uM,c1cc(ccc1C[C@H]2C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)O,
,,4G47,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TZF:A:406,valid,Kd,~,1.7,mM,c1cc(ccc1n2cncn2)O,
,,2IJ7,,,,,,,
,,,HEM:A:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:462,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TPF:A:2472,valid,Kd,=,5,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:B:2470,valid,Kd,=,5,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:C:2471,valid,Kd,=,5,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:D:2473,valid,Kd,=,5,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:F:2474,valid,Kd,=,5,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,Family. Representative Entry is ,5FOI,,,,,,,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1390,invalid,,,,,C(C(CO)O)O,
,,,MY8:A:414,valid,Kd,=,1,nM,CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C,
,,,MY8:B:414,valid,Kd,=,1,nM,CC[C@@H]1[C@H](/C=C/C=C/[C@H]([C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)O)C,
,,,SPD:A:1391,invalid,,,,,C(CCNCCCN)CN,
,,,SPD:A:1393,invalid,,,,,C(CCNCCCN)CN,
,,,SPD:A:1392,invalid,,,,,C(CCNCCCN)CN,
,,,HEM:B:413,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:413,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6J95,,,,,,,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RET:A:602,valid,Kd,=,0.23,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,6L8J,,,,,,,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RET:A:602,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,1ZZ7,,,,,,,
,,,FE2:A:199,Part of Protein,,,,,[Fe+2],
,,,FE2:B:199,Part of Protein,,,,,[Fe+2],
,,,S0H:A:1002,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:B:1001,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,1ZZ8,,,,,,,
,,,FE2:A:199,Part of Protein,,,,,[Fe+2],
,,,FE2:B:199,Part of Protein,,,,,[Fe+2],
,,,FE2:C:199,Part of Protein,,,,,[Fe+2],
,,,S0H:A:1001,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:B:1003,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:C:1002,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,2BNN,,,,,,,
,,,FCN:A:1199,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:B:1199,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,ZN:A:1200,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1200,Part of Protein,,,,,[Zn+2],
,,1ZZB,,,,,,,
,,,CO:A:199,Part of Protein,,,,,[Co+2],
,,,CO:B:199,Part of Protein,,,,,[Co+2],
,,,S0H:A:1002,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:B:1001,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,Family. Representative Entry is ,1IZO,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PAM:A:601,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PAM:B:1601,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PAM:C:2601,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,2WH8,,,,,,,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,II2:A:460,valid,Kd,=,1.08,uM,c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N,
,,,II2:B:460,valid,Kd,=,1.08,uM,c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N,
,,,II2:C:460,valid,Kd,=,1.08,uM,c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N,
,,,II2:D:460,valid,Kd,=,1.08,uM,c1cc(ccc1N)Sc2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)N,
,,2WHF,,,,,,,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,II4:A:1405,valid,Kd,=,4.8,uM,Cc1cccc(c1)n2cnc3c2ccc(c3)N,
,,,II4:A:1406,valid,Kd,=,4.8,uM,Cc1cccc(c1)n2cnc3c2ccc(c3)N,
,Family. Representative Entry is ,6A17,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,9RL:A:601,valid,Ki,=,1.05,uM,C[C@@](c1ccccc1)([C@H](Cc2ccc(cc2)Cl)n3cncn3)O,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6A15,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CLR:A:602,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6A16,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,UCZ:A:602,valid,Ki,=,6.9,uM,CC(C)(C)[C@@H](/C(=Cc1ccc(cc1)Cl)/n2cncn2)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6EOZ,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,58K:A:403,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3,
,,5Y7R,,,,,,,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,58K:B:403,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3,
,,5OA7,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,58K:A:403,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3,
,,5OA8,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,58L:A:403,valid,,,,,c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2,
,,5DAQ,,,,,,,
,,,58D:A:403,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,5DAX,,,,,,,
,,,58L:A:403,valid,,,,,c1ccc(cc1)C[C@H]2C(=O)Nc3ccccc3C(=O)N2,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,5DAW,,,,,,,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,58K:A:403,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3,
,,5OA4,,,,,,,
,,,58D:A:402,valid,,,,,CN1[C@H](C(=O)Nc2ccccc2C1=O)Cc3ccc(cc3)OC,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,5DAV,,,,,,,
,,,58J:A:402,valid,,,,,CN1/C(=Cc2ccc(cc2)OC)/C(=O)Nc3ccccc3C1=O,
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BR:A:404,invalid,,,,,[Br-],
,,,BR:A:405,invalid,,,,,[Br-],
,,,K:A:406,invalid,,,,,[K+],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,5Y7T,,,,,,,
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,AKG:B:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,8R0:B:402,valid,,,,,CN1[C@@H](C(=O)Nc2ccccc2C1=O)Cc3ccccc3,
,,5DAP,,,,,,,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,3SCH,,,,,,,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:200,Part of Protein,,,,,[Co+2],
,,,TB6:A:199,valid,,,,,C[C@H](CP(=O)(O)O)O,
,,,TB6:B:199,valid,,,,,C[C@H](CP(=O)(O)O)O,
,Family. Representative Entry is ,6VZB,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QRP:A:401,valid,Kd,=,4.81,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,,QRP:A:402,valid,Kd,=,4.81,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,6VZA,,,,,,,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,QRP:A:407,valid,Kd,=,25.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,,QRP:A:406,valid,Kd,=,25.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,,HEM:A:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:402,invalid,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,CL:A:404,invalid,,,,,[Cl-],
,,6VXV,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QRP:A:403,valid,Kd,=,11.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,,QRP:A:402,valid,Kd,=,11.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6F8A,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,6F85,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,6F8C,,,,,,,
,,,STR:A:502,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:502,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6F88,,,,,,,
,,,STR:A:502,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:502,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6DAW,,,,,,,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,ARG:A:402,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:402,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,2D09,,,,,,,
,,,FLV:A:431,valid,Kd,=,7.3,uM,c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O,
,,,FLV:A:432,valid,Kd,=,7.3,uM,c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O,
,,,HEM:A:430,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:433,invalid,,,,,O=O,
,,1S1F,,,,,,,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:430,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MLA:A:432,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:433,invalid,,,,,C(C(=O)O)C(=O)O,
,,,PIM:A:431,valid,,,,,c1ccc(cc1)c2cnc[nH]2,
,,1T93,,,,,,,
,,,FLV:A:431,valid,,,,,c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O,
,,,FLV:A:432,valid,,,,,c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O,
,,,HEM:A:430,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2D0E,,,,,,,
,,,HEM:A:408,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NQ:A:409,valid,Kd,=,43,uM,c1ccc2c(c1)C(=O)C=C(C2=O)O,
,,,NQ:A:410,valid,Kd,=,43,uM,c1ccc2c(c1)C(=O)C=C(C2=O)O,
,Family. Representative Entry is ,2YVF,,,,,,,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMT:A:2001,invalid,,,,,C(=O)O,
,,,FMT:A:2002,invalid,,,,,C(=O)O,
,,,FMT:A:2003,invalid,,,,,C(=O)O,
,,,FMT:A:2004,invalid,,,,,C(=O)O,
,,,FMT:A:2005,invalid,,,,,C(=O)O,
,,,NAD:A:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1F3P,,,,,,,
,,,FAD:A:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1D7Y,,,,,,,
,,,FAD:A:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2GQW,,,,,,,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMT:A:2001,invalid,,,,,C(=O)O,
,,,FMT:A:2002,invalid,,,,,C(=O)O,
,,,FMT:A:2003,invalid,,,,,C(=O)O,
,,,FMT:A:2004,invalid,,,,,C(=O)O,
,,,FMT:A:2005,invalid,,,,,C(=O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,2GR0,,,,,,,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2YVG,,,,,,,
,,,FAD:A:1449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2VE3,,,,,,,
,,,HEM:A:1444,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1444,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,REA:A:1445,valid,Kd,<,1,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,REA:B:1445,valid,Kd,<,1,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,Family. Representative Entry is ,6GK6,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MYR:A:502,valid,Kd,=,2.1,uM,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4DNJ,,,,,,,
,,,ANN:A:502,valid,,,,,COc1ccc(cc1)C(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3R9C,,,,,,,
,,,ECL:A:451,valid,Kd,=,0.098,uM,c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl,
,,,ECL:A:452,valid,Kd,=,0.098,uM,c1cc(ccc1CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:425,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2X5W,,,,,,,
,,,EDO:A:1430,invalid,,,,,C(CO)O,
,,,HEM:A:1431,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K2B:A:1429,valid,Kd,=,1.18,uM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,SO4:A:1428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IW2,,,,,,,
,,,EKO:A:665,valid,Kd,=,11.7,uM,c1cc(ccc1CO[C@H](Cc2c[nH]cn2)c3ccc(cc3Cl)Cl)Cl,
,,,HEM:A:434,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3IW1,,,,,,,
,,,ASD:A:1223,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,HEM:A:434,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2XC3,,,,,,,
,,,HEM:A:1433,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RT8:A:1434,valid,Kd,=,1.68,uM,CC1CCC(CC1)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)Nc4ccncc4,
,Family. Representative Entry is ,2XFH,,,,,,,
,,,CL6:A:1413,valid,Kd,<,0.01,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,CL6:A:1414,valid,Kd,<,0.01,uM,c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4,
,,,DMS:A:1415,invalid,,,,,CS(=O)C,
,,,HEM:A:1412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2JJO,,,,,,,
,,,EY5:A:413,valid,Kd,=,3.5,uM,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C,
,,,HEM:A:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2JJP,,,,,,,
,,,HEM:A:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KLN:A:413,valid,Kd,=,1.12,uM,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZKP,,,,,,,
,,,HEM:A:412,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ERB:A:413,valid,Kd,=,14,uM,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)C,
3.1.3.1,,,,,,,,,
,Family. Representative Entry is ,3DPC,,,,,,,
,,,HIS ALA TPO PRO PRO LYS LYS GLU ALA ASP:C:1,valid,Kd,=,44,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)C)C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])CCCC[NH3+])CCCC[NH3+])CCC2)CCC1)C)([O-])[O-],
,,,PO4:A:456,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:A:457,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1EW9,,,,,,,
,,,MG:A:452,Part of Protein,,,,,[Mg+2],
,,,MG:B:452,Part of Protein,,,,,[Mg+2],
,,,MMQ:A:559,valid,Ki,=,0.6,mM,C(P(=O)([O-])[O-])S,
,,,MMQ:B:559,valid,Ki,=,0.6,mM,C(P(=O)([O-])[O-])S,
,,,SO4:A:558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:958,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:451,Part of Protein,,,,,[Zn+2],
,,,ZN:A:453,Part of Protein,,,,,[Zn+2],
,,,ZN:B:450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:453,Part of Protein,,,,,[Zn+2],
,,1KH5,,,,,,,
,,,AF3:A:453,valid,,,,,F[Al](F)F,
,,,AF3:B:953,valid,,,,,F[Al](F)F,
,,,MG:A:452,Part of Protein,,,,,[Mg+2],
,,,MG:B:952,Part of Protein,,,,,[Mg+2],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:950,Part of Protein,,,,,[Zn+2],
,,,ZN:B:951,Part of Protein,,,,,[Zn+2],
,,1EW8,,,,,,,
,,,MG:A:452,Part of Protein,,,,,[Mg+2],
,,,MG:B:452,Part of Protein,,,,,[Mg+2],
,,,PAE:A:556,valid,Ki,=,5.5,mM,C(C(=O)O)P(=O)(O)O,
,,,PAE:B:556,valid,Ki,=,5.5,mM,C(C(=O)O)P(=O)(O)O,
,,,PO4:A:557,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:557,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:568,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:451,Part of Protein,,,,,[Zn+2],
,,,ZN:A:453,Part of Protein,,,,,[Zn+2],
,,,ZN:B:450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:453,Part of Protein,,,,,[Zn+2],
,,1KHJ,,,,,,,
,,,AF3:A:453,valid,,,,,F[Al](F)F,
,,,AF3:B:453,valid,,,,,F[Al](F)F,
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:A:451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:451,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1ZED,,,,,,,
,,,CA:A:906,Part of Protein,,,,,[Ca+2],
,,,MG:A:905,Part of Protein,,,,,[Mg+2],
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PNP:A:901,valid,,,,,C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-],
,,,PNP:A:902,valid,,,,,C[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-],
,,,PO3:A:907,invalid,,,,,[O-][P-](=O)[O-],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,3MK1,,,,,,,
,,,ACT:A:933,invalid,,,,,CC(=O)[O-],
,,,ACT:A:934,invalid,,,,,CC(=O)[O-],
,,,ACT:A:935,invalid,,,,,CC(=O)[O-],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,NA:A:941,invalid,,,,,[Na+],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NPO:A:911,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:912,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:913,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,PO4:A:950,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,3MK0,,,,,,,
,,,ACT:A:934,invalid,,,,,CC(=O)[O-],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NPO:A:912,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:913,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,PO4:A:950,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1ZEF,,,,,,,
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PHE:A:802,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:804,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,3MK2,,,,,,,
,,,ACT:A:933,invalid,,,,,CC(=O)[O-],
,,,ACT:A:934,invalid,,,,,CC(=O)[O-],
,,,ACT:A:935,invalid,,,,,CC(=O)[O-],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,GOL:A:936,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:937,invalid,,,,,C(C(CO)O)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PHE:A:912,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:923,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4AMF,,,,,,,
,,,CA:B:1591,Part of Protein,,,,,[Ca+2],
,,,CA:A:1594,Part of Protein,,,,,[Ca+2],
,,,CA:A:1592,Part of Protein,,,,,[Ca+2],
,,,CA:B:1590,Part of Protein,,,,,[Ca+2],
,,,CA:B:1592,Part of Protein,,,,,[Ca+2],
,,,CA:A:1593,Part of Protein,,,,,[Ca+2],
,,,CL:A:1590,invalid,,,,,[Cl-],
,,,CL:A:1603,invalid,,,,,[Cl-],
,,,CL:B:1598,invalid,,,,,[Cl-],
,,,18007_18008_:A:1595,Part of Protein,,,,,,
,,,EDO:A:1602,invalid,,,,,C(CO)O,
,,,EDO:A:1606,invalid,,,,,C(CO)O,
,,,EDO:A:1604,invalid,,,,,C(CO)O,
,,,EDO:A:1599,invalid,,,,,C(CO)O,
,,,EDO:B:1600,invalid,,,,,C(CO)O,
,,,EDO:B:1599,invalid,,,,,C(CO)O,
,,,EDO:A:1601,invalid,,,,,C(CO)O,
,,,EDO:A:1598,invalid,,,,,C(CO)O,
,,,EDO:B:1597,invalid,,,,,C(CO)O,
,,,EDO:A:1597,invalid,,,,,C(CO)O,
,,,EDO:A:1605,invalid,,,,,C(CO)O,
,,,EDO:B:1595,invalid,,,,,C(CO)O,
,,,EDO:A:1600,invalid,,,,,C(CO)O,
,,,EDO:B:1596,invalid,,,,,C(CO)O,
,,,EDO:B:1602,invalid,,,,,C(CO)O,
,,,EDO:B:1601,invalid,,,,,C(CO)O,
,,,LI:A:1591,Part of Protein,,,,,[Li+],
,,,18009_:A:1595,invalid,,,,,,
,,,ACP:A:1589,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1589,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,18152_:B:1593,invalid,,,,,,
,,,18150_18151_:B:1593,Part of Protein,,,,,,
,Family. Representative Entry is ,4KJG,,,,,,,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,NAG NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,4NP:A:1006,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,,,4NP:B:1006,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,NAG NAG NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
2.5.1.-,,,,,,,,,
,Family. Representative Entry is ,6B04,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,C6J:A:401,valid,,,,,C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,,,C6J:C:401,valid,,,,,C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,,,C6J:B:401,valid,,,,,C[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,,6B07,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,C6M:B:401,valid,,,,,CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,,,C6M:A:401,valid,,,,,CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,,,C6M:C:401,valid,,,,,CCC[N]1=C(C=CC=C1)CC(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,5APG,,,,,,,
,,,EEM:B:1185,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EEM:C:1185,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EEM:A:1185,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MES:B:1186,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1187,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1186,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,4Q9M,,,,,,,
,,,CD:B:305,invalid,,,,,[Cd+2],
,,,CD:A:306,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:A:311,invalid,,,,,[Cd+2],
,,,CD:B:307,invalid,,,,,[Cd+2],
,,,CD:B:306,invalid,,,,,[Cd+2],
,,,CD:A:309,invalid,,,,,[Cd+2],
,,,CD:A:308,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,CD:B:304,invalid,,,,,[Cd+2],
,,,CD:A:310,invalid,,,,,[Cd+2],
,,,CD:A:307,invalid,,,,,[Cd+2],
,,,CD:B:308,invalid,,,,,[Cd+2],
,,,2ZW:A:301,valid,Kd,=,66,nM,Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C,
,,,2ZW:B:301,valid,Kd,=,66,nM,Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C,
,,,FPP:A:302,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPP:B:302,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,4Q9O,,,,,,,
,,,2ZW:B:301,valid,Kd,=,1.7,uM,Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C,
,,,2ZW:A:301,valid,Kd,=,1.7,uM,Cc1c(c(no1)c2ccccc2Cl)C(=O)Nc3ccc(cc3)C(C)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4U82,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FPS:A:302,valid,ic50,=,1.9,uM,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6R4V,,,,,,,
,,,MG:D:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:C:1301,Part of Protein,,,,,[Mg+2],
,,,MG:C:1302,Part of Protein,,,,,[Mg+2],
,,,MG:E:1303,Part of Protein,,,,,[Mg+2],
,,,MG:E:1302,Part of Protein,,,,,[Mg+2],
,,,MG:D:1301,Part of Protein,,,,,[Mg+2],
,,,MG:D:1303,Part of Protein,,,,,[Mg+2],
,,,MG:F:1303,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:F:1302,invalid,,,,,[Mg+2],
,,,MG:F:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,MG:E:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1302,Part of Protein,,,,,[Mg+2],
,,,BFQ:F:1304,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:A:1304,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:D:1304,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:B:1304,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:E:1304,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,BFQ:C:1303,valid,Kd,=,1.74,uM,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,GOL:C:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4NAE,,,,,,,
,,,PE4:A:302,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:302,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,1GP:A:301,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,1GP:B:301,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,Family. Representative Entry is ,4JH6,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,invalid,,,,,[Mg+2],
,,,MG:B:203,invalid,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,FCN:B:202,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:A:202,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,4JH4,,,,,,,
,,,NI:B:201,Part of Protein,,,,,[Ni+2],
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,FCN:A:202,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:B:202,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,4JH7,,,,,,,
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,1KM:A:204,valid,,,,,C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O,
,,,1KM:B:203,valid,,,,,C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,4JH3,,,,,,,
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,FCN:B:203,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:A:204,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FMT:A:206,invalid,,,,,C(=O)O,
,,,FMT:B:205,invalid,,,,,C(=O)O,
,,4JH9,,,,,,,
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,1KM:A:202,valid,,,,,C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O,
,,,1KM:B:202,valid,,,,,C[C@@H]([C@H](P(=O)(O)O)SC[C@@H](C(=O)O)N)O,
,,4JH5,,,,,,,
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,FCN:A:202,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:B:203,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,4JH8,,,,,,,
,,,CYS:A:205,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:206,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:204,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:202,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,FCN:B:203,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:A:204,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4L9P,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,FII:B:608,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,LYS CYS VAL VAL MET:C:7,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CS)C(C)C)C(C)C)C(=O)[O-])C,
,,4LNG,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,JAN:B:602,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,K:B:607,invalid,,,,,[K+],
,,,FPP:B:603,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,4MBG,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,K:B:605,invalid,,,,,[K+],
,,,FPP:B:601,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,4LNB,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,ED5:B:603,valid,,,,,Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C,
,,,FPP:B:601,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2R2L,,,,,,,
,,,FPP:B:424,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,PB9:B:425,valid,ic50,=,0.58,nM,Cn1cncc1CN2C[C@H](Cc3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5ccccn5,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,1NI1,,,,,,,
,,,2C5:B:10,valid,ic50,=,0.9,nM,Cn1cncc1[C@@H](c2ccc(cc2)C#N)OCc3c(cc(c(n3)Cl)C#N)c4cccc(c4)Cl,
,,,HFP:B:501,valid,,,,,CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O,
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,1QBQ,,,,,,,
,,,ACE CYS VAL ILE MSE:P:0,valid,,,,,[Se](CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CS)C(C)C)C(CC)C)C(=O)[O-])C,
,,,ACT:A:2002,invalid,,,,,CC(=O)[O-],
,,,HFP:B:2001,valid,Ki,=,5,nM,CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O,
,,,ZN:B:1000,Part of Protein,,,,,[Zn+2],
,,1N95,,,,,,,
,,,FTH:B:1001,valid,,,,,Cn1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5ccc(cc5)C#N,
,,,HFP:B:501,valid,,,,,CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O,
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
3.4.11.10,,,,,,,,,
,Family. Representative Entry is ,1TXR,,,,,,,
,,,BES:A:503,valid,Ki,=,18,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,1IGB,,,,,,,
,,,IPO:A:520,valid,Ki,=,0.4,uM,c1cc(ccc1C[C@H](C(=O)NO)N)I,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,3VH9,,,,,,,
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:318,invalid,,,,,[Cl-],
,,,CL:A:319,invalid,,,,,[Cl-],
,,,CL:A:320,invalid,,,,,[Cl-],
,,,CL:A:321,invalid,,,,,[Cl-],
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,HQY:A:303,valid,Ki,=,0.58,uM,c1cc2cccnc2c(c1)O,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,SCN:A:322,invalid,,,,,C(#N)[S-],
,,,SCN:A:323,invalid,,,,,C(#N)[S-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1CP6,,,,,,,
,,,BUB:A:601,valid,Ki,=,10,uM,B(CCCC)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,1FT7,,,,,,,
,,,K:A:600,Part of Protein,,,,,[K+],
,,,PLU:A:500,valid,Ki,=,6.6,uM,CC(C)C[C@H](N)P(=O)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,3B3C,,,,,,,
,,,K:A:600,Part of Protein,,,,,[K+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,PLU:A:500,valid,Ki,=,105,uM,CC(C)C[C@H](N)P(=O)(O)O,
,,,SCN:A:601,invalid,,,,,C(#N)[S-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,2IQ6,,,,,,,
,,,LEU LEU LEU:B:294,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)CC(C)C,
,,,ZN:A:292,Part of Protein,,,,,[Zn+2],
,,,ZN:A:293,Part of Protein,,,,,[Zn+2],
,,3B7I,,,,,,,
,,,K:A:600,Part of Protein,,,,,[K+],
,,,LEU:A:604,valid,Ki,=,65,uM,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,PLU:A:500,valid,Ki,=,1.5,uM,CC(C)C[C@H](N)P(=O)(O)O,
,,,SCN:A:603,invalid,,,,,C(#N)[S-],
,,,ZN:A:292,Part of Protein,,,,,[Zn+2],
,,,ZN:A:293,Part of Protein,,,,,[Zn+2],
3.1.5.1,,,,,,,,,
,Family. Representative Entry is ,2C77,,,,,,,
,,,GNP:A:1406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1407,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1409,invalid,,,,,C(COCCO)O,
4.2.1.1,,,,,,,,,
,Family. Representative Entry is ,2H4N,,,,,,,
,,,AZM:A:264,valid,Kd,=,0.002,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,3K34,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,HGB:A:265,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,SUA:A:1003,valid,,,,,c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,4XE1,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,HGB:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,IL5:A:305,valid,Ki,=,77.3,nM,c1cc2c(cc1S(=O)(=O)N)S(=O)(=O)NC2=O,
,,5JG3,,,,,,,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:301,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,4HT0,,,,,,,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,V50:A:304,valid,Kd,=,10,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,1IF8,,,,,,,
,,,SBS:A:555,valid,Kd,=,230,pM,C[C@@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6ODZ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,M8J:A:303,valid,Ki,=,0.7,nM,c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N,
,,,M8J:A:302,valid,Ki,=,0.7,nM,c1cc(ccc1NC(=O)CN2C(=O)C3(CCCC3)NC2=O)S(=O)(=O)N,
,,7JO2,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VFM:A:302,valid,Ki,=,2.4,nM,CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N,
,,1I9L,,,,,,,
,,,INV:A:555,valid,Kd,=,3.3,nM,c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,INV:A:666,valid,Kd,=,3.3,nM,c1cc(ccc1CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6PGX,,,,,,,
,,,OJ4:A:303,valid,Ki,=,0.62,nM,c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N,
,,,OJ4:A:304,valid,Ki,=,0.62,nM,c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N,
,,,OJ4:A:302,valid,Ki,=,0.62,nM,c1cc(ccc1OC[C@H](C[Te]C[C@H](COc2ccc(cc2)S(=O)(=O)N)O)O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,3VBD,,,,,,,
,,,0FZ:A:2002,valid,Ki,=,8.6,nM,COc1ccc2c(c1)CCN=C2c3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2006,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:2003,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,MBO:A:2004,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,7JNX,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,VGS:A:303,valid,Ki,=,63.4,nM,CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,3M5E,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,JDR:A:264,valid,Kd,=,0.043,uM,CSc1nc(c(c(n1)Cl)C=O)NCc2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6BBS,,,,,,,
,,,BZ1:A:302,valid,,,,,CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6FJJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,LSA:A:302,valid,Ki,=,100,nM,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,3P5A,,,,,,,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,IT2:A:263,valid,Ki,=,0.95,nM,C1COCCN1C(=S)S,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2AW1,,,,,,,
,,,COX:A:264,valid,Ki,=,43,nM,Cc1c(c(no1)c2ccccc2)c3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,HGB:A:263,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4M2W,,,,,,,
,,,ETS:A:302,valid,,,,,CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5J8Z,,,,,,,
,,,FC4:A:303,valid,Ki,=,5,nM,C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,6KE:A:304,valid,Ki,=,5,nM,C[C@@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl,
,,4QTL,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,WWO:A:304,valid,Kd,=,120,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,6QFU,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,J0K:A:301,valid,Kd,=,35,nM,CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=C(C=C7)O)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C,
,,5BYI,,,,,,,
,,,HGB:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,K:A:304,invalid,,,,,[K+],
,,,K:A:305,Part of Protein,,,,,[K+],
,,,4WA:A:303,valid,Ki,=,30.7,nM,c1cc(ccc1N)N=Nc2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6G6T,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,ENN:A:304,valid,Kd,=,0.16,nM,CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N,
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,4PYX,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,V90:A:304,valid,Kd,=,730,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5WLT,,,,,,,
,,,86B:A:304,valid,Ki,=,155.5,nM,CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O,
,,,86B:A:303,valid,Ki,=,155.5,nM,CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O,
,,,86B:A:302,valid,Ki,=,155.5,nM,CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O,
,,,86B:A:305,valid,Ki,=,155.5,nM,CC(C)NC[C@@H](COc1ccc(cc1)S(=O)(=O)N)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5FLT,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,,VJJ:A:1264,valid,Kd,=,1280,uM,c1ccc(cc1)Oc2cccc(c2)C(=O)O,
,,4RIV,,,,,,,
,,,LSA:A:302,valid,,,,,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,,LSA:A:303,valid,,,,,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5NEA,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,8V8:A:303,valid,Ki,=,0.05,nM,Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N,
,,,8V8:A:302,valid,Ki,=,0.05,nM,Cc1ncc(o1)c2ccc(cc2)S(=O)(=O)N,
,,5EKM,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,TG5:A:304,valid,Kd,=,0.48,uM,CCCCNCC(=O)Nc1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3MHC,,,,,,,
,,,ARZ:A:263,valid,Ki,=,11,nM,C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6T7U,,,,,,,
,,,X33:A:302,valid,Ki,=,0.5,nM,B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCCS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YZJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q2Z:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N,
,,5NXG,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,RA1:A:302,valid,Ki,=,2.8,nM,c1cc(ccc1NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])S(=O)(=O)N,
,,5L6K,,,,,,,
,,,PG4 QUJ QUK QVS QVE:A:310,valid,,,,,,
,,,PG4 QUJ QUK QVS QVE:B:302,valid,,,,,,
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,,QUK QVS 6H0 QUJ QVE:A:303,valid,,,,,S(=O)(=O)(N)c1ccc(C(=O)NCc2cc(OCCCCNC(=O)Nc3c4nc(C(=O)Nc5c6nc(C(=O)Nc7c8nc(C(=O)Nc9c%10nc(C(=O)[O-])cc(OCC(=O)[O-])c%10ccc9)cc(O)c8ccc7)cc(OCCC)c6ccc5)cc(OCCC)c4ccc3)ccc2)cc1,
,,,PG4:A:310,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:314,invalid,,,,,CS(=O)C,
,,,QUJ QUK 6H0 QVS QVE:B:301,valid,,,,,,
,,6B4D,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,53X:A:305,valid,Ki,=,0.78,uM,CCn1cc(c2c1cccc2)c3cc(n(n3)C)C(=O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3M96,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,E38:A:265,valid,Kd,=,0.06,uM,c1cc(c(cc1C(=O)CSc2[nH]c3ccc(cc3n2)Br)S(=O)(=O)N)Cl,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4ITP,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,1GD:A:304,valid,Ki,=,54,nM,c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N,
,,6CJV,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,RRY RRJ:B:1,valid,Ki,=,300,nM,ClCC1(OC2C(O)C(O)C(Cl)C(CO)O2)C(O)C(O)C(CCl)O1,
,,2GD8,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,MBO:A:266,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,PO1:A:264,valid,ic50,=,379,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC,
,,,PO1:A:265,valid,ic50,=,379,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N)OC,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5G03,,,,,,,
,,,OE2:A:1263,valid,,,,,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7JNV,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VFJ:A:304,valid,Ki,=,53.8,nM,CCCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,VFJ:A:305,valid,Ki,=,53.8,nM,CCCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,4QSI,,,,,,,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,EWZ:A:305,valid,Kd,=,50,nM,CC(C)(C)C1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,7K6T,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VYV:A:302,valid,,,,,c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,1BNV,,,,,,,
,,,AL7:A:555,valid,Kd,=,1.7,nM,CN[C@@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)c3cccc(c3)OC,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1I9Q,,,,,,,
,,,IOF:A:555,valid,Kd,=,3.9,nM,c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N,
,,,IOF:A:666,valid,Kd,=,3.9,nM,c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6IC2,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BBJ:A:302,valid,Ki,=,917.4,nM,c1cc(c(cc1N/C(=NO)/c2c(non2)NCCNS(=O)(=O)N)Br)F,
,,6RSZ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,KJ5:A:305,valid,,,,,CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,2Q1Q,,,,,,,
,,,OSP:A:300,valid,Ki,=,7,nM,c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5LJT,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,A6N:A:302,valid,Ki,=,1.2,nM,c1ccc(cc1)n2cc(nn2)COc3ccc(cc3)S(N)(O)O,
,,1G0E,,,,,,,
,,,4MZ:A:264,valid,,,,,Cc1c[nH]cn1,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4QIY,,,,,,,
,,,BCN:B:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:D:303,invalid,,,,,CS(=O)C,
,,,WWX:D:302,valid,Kd,=,50,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:C:302,valid,Kd,=,50,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:A:302,valid,Kd,=,50,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:B:302,valid,Kd,=,50,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,2OSF,,,,,,,
,,,S24:A:264,valid,,,,,c1cc(c(cc1O)O)SC(=O)O,
,,,TH0:A:263,valid,Ki,=,148,uM,c1cc(c(cc1O)O)S,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5BRV,,,,,,,
,,,9TH:A:302,valid,Kd,=,0.96,nM,C[C-]12C3(=C4([Ir+3]1356(C2(=C54C)C)([N-](CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)[Cl-])C)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RW1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KL5:A:302,valid,Ki,=,1305,nM,[B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O,
,,6SAC,,,,,,,
,,,PG4:A:308,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,LYS:A:261,invalid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,BE7:A:306,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,47J:A:309,valid,,,,,Cc1cc(n(n1)C)CN,
,,6D1L,,,,,,,
,,,FQV:A:304,valid,Ki,=,7.6,nM,CC#CC[Se]c1ccc(cc1)S(=O)(=O)N,
,,,FQV:A:303,valid,Ki,=,7.6,nM,CC#CC[Se]c1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5U0E,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,7R4:A:302,valid,Kd,=,7.7,uM,c1ccc(cc1)C[C@@H]2C(=O)NC(=S)S2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4PYY,,,,,,,
,,,V14:A:302,valid,Kd,=,59,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6XXT,,,,,,,
,,,ZN:X:301,Part of Protein,,,,,[Zn+2],
,,,O42:X:302,valid,Ki,=,3.7,nM,c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,GOL:X:303,invalid,,,,,C(C(CO)O)O,
,,1G45,,,,,,,
,,,FSB:A:555,valid,Kd,=,2.3,nM,c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5FNK,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,NA:A:1265,Part of Protein,,,,,[Na+],
,,,NA:A:1266,Part of Protein,,,,,[Na+],
,,,5OO:A:1267,valid,Kd,=,1005,uM,c1cc(c(cc1Cl)Cl)/C=C/C(=O)O,
,,,ACY:A:1264,invalid,,,,,CC(=O)O,
,,,DMS:A:1263,invalid,,,,,CS(=O)C,
,,2NNO,,,,,,,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,M28:A:301,valid,Kd,=,0.4,uM,c1cc(ccc1CCC(=O)O)S(=O)(=O)N,
,,,M28:A:302,valid,Kd,=,0.4,uM,c1cc(ccc1CCC(=O)O)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q81,,,,,,,
,,,7MH:A:303,valid,Ki,=,950,uM,CC1=CC(=S)N(C(=C1)C)O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MBO:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,3CA2,,,,,,,
,,,AMS:A:265,valid,,,,,c1cc(c(cc1S(=O)(=O)N)[Hg])N,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,4Q7P,,,,,,,
,,,3MH:A:302,valid,Ki,=,48,uM,CC1=CC=CN(C1=S)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4YYT,,,,,,,
,,,S2O:A:306,valid,Kd,=,418.3,nM,c1cc(ccc1CCO)S(=O)(=O)N,
,,,S2O:A:304,valid,Kd,=,418.3,nM,c1cc(ccc1CCO)S(=O)(=O)N,
,,,S2O:A:303,valid,Kd,=,418.3,nM,c1cc(ccc1CCO)S(=O)(=O)N,
,,,S2O:A:305,valid,Kd,=,418.3,nM,c1cc(ccc1CCO)S(=O)(=O)N,
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:301,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,5E2K,,,,,,,
,,,BX4:A:302,valid,Ki,=,9.3,nM,c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N,
,,,BX4:A:303,valid,Ki,=,9.3,nM,c1cc(cc(c1)N)c2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3M2N,,,,,,,
,,,BCN:A:266,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,J74:A:262,valid,,,,,c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N,
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,6H3Q,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FMH:A:302,valid,Ki,=,47.3,nM,c1cc(ccc1c2ncc([se]2)CCl)S(=O)(=O)N,
,,3OYS,,,,,,,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,OYS:A:263,valid,Ki,=,9,nM,c1ccc(cc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6RVK,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,R29:A:302,valid,Ki,=,439,nM,[B-]1(c2cc(ccc2CO1)NC(=O)NCc3ccccc3)(O)O,
,,6H29,,,,,,,
,,,FK8:A:302,valid,Ki,=,2.4,uM,c1ccc(cc1)COC(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3RYZ,,,,,,,
,,,RYZ:A:262,valid,Kd,=,2.4,nM,c1cc(ccc1C(=O)NCC(C(C(F)(F)F)(F)F)(F)F)S(=O)(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4M2V,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BZ1:A:302,valid,,,,,CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC,
,,3S8X,,,,,,,
,,,BCN:A:265,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,E59:A:266,valid,Kd,=,0.07,uM,CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5U0G,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,7QY:A:302,valid,,,,,COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3K7K,,,,,,,
,,,KCS:A:301,valid,Kd,~,8.86,nM,C(=S)(S)S,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3T83,,,,,,,
,,,MG5:A:301,valid,Ki,=,105,nM,CCC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N,
,,,SG5:A:300,valid,Ki,=,105,nM,CCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)CC)OC(=O)CC)O)COS(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,3BL1,,,,,,,
,,,BL1:A:300,valid,Ki,=,2520,nM,C[C@H]1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5EH7,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,5O5:A:303,valid,Kd,=,330,uM,c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl,
,,,NA:A:304,invalid,,,,,[Na+],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4RUY,,,,,,,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,3W6:A:302,valid,Ki,=,12.8,nM,CCCOc1ccc(cc1)S(=O)(=O)N,
,,,3W6:A:305,invalid,Ki,=,12.8,nM,CCCOc1ccc(cc1)S(=O)(=O)N,
,,3MHO,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,J43:A:265,valid,Kd,=,0.32,uM,CSc1nc(c(c(n1)Cl)C=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,UNL:A:266,invalid,,,,,NULL,
,,,UNL:A:267,invalid,,,,,NULL,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6UGN,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q77:A:302,valid,Ki,=,763.5,nM,Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C,
,,,Q77:A:303,valid,Ki,=,763.5,nM,Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C,
,,6YZT,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3E:A:302,valid,Ki,=,622,nM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCS(=O)(=O)N,
,,4YX4,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FB2:A:303,valid,Kd,=,1073.4,nM,c1ccc(cc1)S(=O)(=O)N,
,,4N16,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CHD:A:301,valid,ic50,=,0.22,mM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,3K2F,,,,,,,
,,,NKX:A:264,valid,Ki,=,63,nM,CCN([C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C)C(=O)OC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2WEO,,,,,,,
,,,DMS:A:1265,invalid,,,,,CS(=O)C,
,,,FBW:A:1263,valid,Kd,=,118,nM,c1cc(cc(c1)S(=O)(=O)N)F,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,6UGR,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q71:A:302,valid,Ki,=,533.6,nM,c1cc2c(cc1F)S(=O)(=O)NC(=O)N2,
,,3PO6,,,,,,,
,,,ACT:A:268,invalid,,,,,CC(=O)[O-],
,,,DT9:A:262,valid,,,,,C[C@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC,
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,RDT:A:263,valid,,,,,C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)OC,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3V7X,,,,,,,
,,,D7A:A:2002,valid,Ki,=,2.7,nM,COc1ccc(cc1OC)CCNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2007,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:2008,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,MBO:A:2009,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,MBO:A:2010,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,3IBU,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,HGB:A:400,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,O48:A:300,valid,Ki,=,0.7,nM,CCCCCCCCCCOS(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6S03,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KPW:A:302,valid,Ki,=,17,nM,Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(c4)Nc5ccc(cc5)S(=O)(=O)N,
,,1BNT,,,,,,,
,,,AL2:A:555,valid,Kd,=,0.16,nM,COc1ccc(cc1)[N@@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4YXU,,,,,,,
,,,4JE:A:305,valid,Kd,=,57.4,nM,CCCc1ccc(cc1)S(=O)(=O)N,
,,,4JE:A:304,valid,Kd,=,57.4,nM,CCCc1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Q09,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,V14:A:302,valid,Kd,=,6.7,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RJJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,K5W:A:306,valid,,,,,c1cc(c(c(c1)S(=O)(=O)N)F)F,
,,,K5W:A:305,valid,,,,,c1cc(c(c(c1)S(=O)(=O)N)F)F,
,,,GLC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5FLS,,,,,,,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,6ZX:A:1263,valid,Kd,=,905,uM,C/C(=CC(=O)O)/c1ccc(cc1)Cl,
,,,DMS:A:1262,invalid,,,,,CS(=O)C,
,,3DCS,,,,,,,
,,,MZM:A:263,valid,Ki,=,11.4,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5TYA,,,,,,,
,,,7QS:A:302,valid,Kd,=,32.9,uM,c1ccc(cc1)[C@@H]2C(=O)NC(=O)S2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,7K6J,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,VYY:A:302,valid,Ki,=,50.8,nM,Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,3RYV,,,,,,,
,,,RYV:B:1,valid,Kd,=,86,nM,CCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,2WEJ,,,,,,,
,,,FB2:A:1263,valid,Kd,=,839,nM,c1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,6WQ4,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,U7A:A:303,valid,Ki,=,368.5,nM,c1ccc(cc1)CCN(CCC#N)CC(=O)N(CCc2ccccc2)CCc3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3MYQ,,,,,,,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,E27:A:266,valid,Kd,=,0.03,uM,c1ccc2c(c1)c3c(cn2)nc([nH]3)SCC(=O)c4ccc(c(c4)S(=O)(=O)N)Cl,
,,,MES:A:263,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6SD7,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SXG:A:305,valid,,,,,c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)NS(=O)(=O)c2c(c(c(c(c2F)F)F)F)F,
,,,L7T:A:304,valid,,,,,c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F,
,,6YO2,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P6Q:A:302,valid,,,,,B12B34B156B37B8B79C813B4B12B31C95(B61)CCCS(=O)(=O)N,
,,4ZWZ,,,,,,,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,510:A:302,valid,,,,,COC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O)OS(=O)(=O)N,
,,6RZX,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KPQ:A:302,valid,Ki,=,7,nM,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,
,,4Q6D,,,,,,,
,,,WW3:A:304,valid,Kd,=,0.0435,uM,c1cc(ccc1/N=N/N2CCCCCC2)S(=O)(=O)N,
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,3V5G,,,,,,,
,,,0F3:A:800,valid,Ki,=,74,nM,c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N,
,,,0F3:A:801,valid,Ki,=,74,nM,c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N,
,,,0F3:A:802,valid,Ki,=,74,nM,c1cc(ccc1NS(=O)(=O)N)S(=O)(=O)N,
,,,HGB:A:901,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,MBO:A:263,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1EOU,,,,,,,
,,,SMS:A:301,valid,ic50,=,36,nM,CC1(O[C@H]2[C@H]3[C@@H](CO[C@]2(O1)COS(=O)(=O)N)OS(=O)(=O)O3)C,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,4RFC,,,,,,,
,,,3O1:A:302,valid,Ki,=,5.7,nM,CC(C)(C)OC(=O)NCCCCOc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6H33,,,,,,,
,,,FKQ:A:302,valid,Ki,=,0.6,nM,c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5VGY,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,invalid,,,,,[Na+],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,9AA:A:304,valid,Kd,=,65.5,uM,COc1ccc(c(c1)OC)C[C@@]2(C(=O)NC(=S)N2)O,
,,1BN4,,,,,,,
,,,AL9:A:555,valid,Kd,=,0.49,nM,COc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6T9Z,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MYW:A:302,valid,Ki,=,1.178,nM,B123B45B167B289B31B823B966B744B622[C@@]45[C+]321CCCS(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,5NY3,,,,,,,
,,,9E8:A:302,valid,Ki,=,33.9,nM,c1cc(ccc1CCNC(=O)Nc2ccc(cc2)Cl)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1G4O,,,,,,,
,,,BSB:A:555,valid,Kd,=,5.6,nM,c1ccc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6S9G,,,,,,,
,,,L1Q:A:306,valid,,,,,CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,L1Q:A:305,valid,,,,,CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:302,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6YZO,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3K:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N,
,,5SZ3,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,72H:A:307,valid,Ki,=,2.5,nM,c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N,
,,6YZQ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3Q:A:302,valid,Ki,=,870.1,nM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N,
,,4RUZ,,,,,,,
,,,3W8:A:303,invalid,,,,,CCOc1ccc(cc1)S(=O)(=O)N,
,,,3W8:A:302,valid,,,,,CCOc1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3KIG,,,,,,,
,,,DA4:A:504,valid,ic50,=,245,nM,C#Cc1cccc(c1)S(=O)(=O)N,
,,,DA9:A:503,invalid,,,,,C(CS)NC(=O)CN=[N+]=[N-],
,,,DA9:A:505,invalid,,,,,C(CS)NC(=O)CN=[N+]=[N-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,3EFI,,,,,,,
,,,MBO:A:306,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,TRP:A:300,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5SZ5,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,72E:A:303,valid,,,,,Cc1ccccc1c2ccc(cc2)S(=O)(=O)N,
,,3N0N,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,P9B:A:263,valid,Ki,=,50,nM,c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q06,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,V90:A:304,valid,Kd,=,22,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6CEH,,,,,,,
,,,EZ1:A:302,valid,Ki,=,36.5,nM,C=CC[Se]c1ccc(cc1)S(=O)(=O)N,
,,,EZ1:A:303,valid,Ki,=,36.5,nM,C=CC[Se]c1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2X7T,,,,,,,
,,,GOL:A:1262,invalid,,,,,C(C(CO)O)O,
,,,WZB:A:1261,valid,Ki,=,232,nM,CCc1cc2c(cc1OS(=O)(=O)N)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OS(=O)(=O)N)C,
,,,ZN:A:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1264,Part of Protein,,,,,[Zn+2],
,,4Z1J,,,,,,,
,,,4KC:A:302,valid,Ki,=,7.7,nM,c1ccc2c(c1)CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5U0F,,,,,,,
,,,7R1:A:302,valid,Kd,=,3.4,uM,COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=S)S2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6OE0,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,M8S:A:302,valid,Ki,=,1.2,nM,c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCCC3)NC2=O)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3T5Z,,,,,,,
,,,B09:A:263,valid,Ki,=,8.96,uM,CONS(=O)(=O)c1ccccc1,
,,,MBO:A:264,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4FIK,,,,,,,
,,,D2S:A:304,valid,,,,,c1cc(c(cc1O)O)SSc2ccc(cc2O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TH0:A:303,valid,,,,,c1cc(c(cc1O)O)S,
,,,TH0:A:305,valid,,,,,c1cc(c(cc1O)O)S,
,,,TH7:A:302,valid,,,,,c1cc(c(cc1O)O)SO,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,7JOB,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VGV:A:302,valid,Ki,=,15.7,nM,C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,4E3D,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GTQ:A:303,valid,ic50,=,5,mM,c1cc(c(cc1O)C(=O)O)O,
,,,GTQ:A:304,valid,ic50,=,5,mM,c1cc(c(cc1O)C(=O)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1G46,,,,,,,
,,,F2B:A:555,valid,Kd,=,1.6,nM,c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5JEP,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:303,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6R6J,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,JTW:A:304,valid,Kd,=,0.12,nM,c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,6Z04,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3W:A:302,valid,,,,,B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N,
,,3IBL,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,HGB:A:400,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,O59:A:300,valid,Ki,=,14.6,nM,C(CCCCOS(=O)(=O)N)CCCOS(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6UGQ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q7A:A:302,valid,,,,,c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O,
,,,Q7A:A:303,valid,,,,,c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O,
,,6YZL,,,,,,,
,,,Q3T:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5CLU,,,,,,,
,,,S8A:A:302,valid,Ki,=,78,uM,c1ccc2c(c1)C(=O)N(S2(=O)=O)CC(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RVL,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KKE:A:302,valid,Ki,=,1148,nM,[B+]1(c2cc(ccc2CO1)NC(=S)Nc3ccccc3)(O)O,
,,5FLR,,,,,,,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,XCZ:A:1266,valid,Kd,=,1.35,uM,Cc1ccnc(n1)S(=O)(=O)N,
,,,GOL:A:1265,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1264,Part of Protein,,,,,[Na+],
,,,DMS:A:1262,invalid,,,,,CS(=O)C,
,,,DMS:A:1263,invalid,,,,,CS(=O)C,
,,5EKH,,,,,,,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,5RD:A:303,valid,Kd,=,1.11,uM,CCCCNCc1ccc(cc1)S(=O)(=O)N,
,,5JG5,,,,,,,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:301,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,6GOT,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,F6W:A:304,valid,Ki,=,0.4,nM,c1ccc(cc1)CCSc2ccc(cc2)S(=O)(=O)N,
,,6ROB,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,KBZ:A:307,valid,,,,,c1cc(ccc1C#N)S(=O)(=O)N,
,,,KBZ:A:306,valid,,,,,c1cc(ccc1C#N)S(=O)(=O)N,
,,,BGC:A:301,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:302,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BE7:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,5ULN,,,,,,,
,,,8JS:A:303,valid,Ki,=,14.2,nM,c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1IF6,,,,,,,
,,,FBU:A:555,valid,,,,,c1c(cc(cc1F)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2O4Z,,,,,,,
,,,HSW:A:300,valid,Ki,=,566,nM,NS(=O)(=O)NO,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3T84,,,,,,,
,,,SG6:A:300,valid,Ki,=,106,nM,CC(=O)O[C@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)COS(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,4Q78,,,,,,,
,,,25X:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,7JNW,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VFM:A:302,valid,Ki,=,75.1,nM,CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,VFM:A:303,valid,Ki,=,75.1,nM,CC(C)C(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,5EH8,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,5O6:A:303,valid,Kd,=,791,uM,C/C(=CC(=O)O)/c1ccc(cc1)OC,
,,6C7X,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,EO7:A:302,valid,Ki,=,65.2,nM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)Cl)N,
,,7K6Z,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,VZD:A:303,valid,,,,,c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,5JGT,,,,,,,
,,,EVI:B:303,valid,,,,,c1csc(n1)S(=O)(=O)N,
,,,EVI:B:302,valid,,,,,c1csc(n1)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2WD2,,,,,,,
,,,FMT:A:1265,invalid,,,,,C(=O)O,
,,,FMT:A:1266,invalid,,,,,C(=O)O,
,,,FMT:A:1267,invalid,,,,,C(=O)O,
,,,MS5:A:1263,valid,,,,,COc1cccc(c1)C[N@]2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1264,Part of Protein,,,,,[Zn+2],
,,1CRA,,,,,,,
,,,TRI:A:494,valid,,,,,c1[nH]cnn1,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6QL1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,NA:A:307,invalid,,,,,[Na+],
,,,BCN:A:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,V50:A:306,valid,Kd,=,15,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,,V50:A:305,valid,Kd,=,15,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,6MBY,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,FER:A:302,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,5W8B,,,,,,,
,,,A9J:A:302,invalid,,,,,FP(F)(F)(F)(F)F,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,A57:A:304,valid,,,,,Cc1cc([n+](c(c1)C(C)C)CCc2cnc[nH]2)C(C)C,
,,4KNJ,,,,,,,
,,,E1F:A:302,valid,Kd,=,11.1,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,1OKM,,,,,,,
,,,SAB:A:555,valid,,,,,c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3RZ5,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,RZ5:A:262,valid,Kd,=,13,nM,CCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4Q7S,,,,,,,
,,,2YU:A:302,valid,Ki,=,38,uM,CC1=CC(=S)N(C=C1)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6U4T,,,,,,,
,,,PX7:A:303,valid,Ki,=,78.7,nM,CN1c2ccccc2S(=O)(=O)NC1=O,
,,,PX7:A:302,valid,Ki,=,78.7,nM,CN1c2ccccc2S(=O)(=O)NC1=O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3N4B,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,WWZ:A:263,valid,Ki,=,96,nM,c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3M1K,,,,,,,
,,,BE7:A:503,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BEW:A:502,valid,Ki,=,4.1,uM,c1cc[n+](c(c1)S)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,1CIM,,,,,,,
,,,MMC:A:263,invalid,,,,,C[Hg+],
,,,PTS:A:264,valid,Ki,=,1.52,nM,C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4MLT,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,TM4:A:303,valid,Ki,=,1.4,mM,CC1=C(C(=S)C=CO1)O,
,,3HKN,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,Z3K Z3L:B:1,valid,Ki,=,4.51,uM,,
,,4RFD,,,,,,,
,,,3O5:A:302,valid,Ki,=,8.9,nM,c1cc(ccc1OCCCCN)S(=O)(=O)N,
,,,3O5:A:303,invalid,Ki,=,8.9,nM,c1cc(ccc1OCCCCN)S(=O)(=O)N,
,,,BCT:A:304,invalid,,,,,C(=O)(O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2GEH,,,,,,,
,,,NHY:A:300,valid,Ki,=,28,uM,C(=O)(N)NO,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4ZX1,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,5L3:A:304,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4E49,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,RCO:A:303,valid,Ki,=,7.7,uM,c1cc(cc(c1)O)O,
,,,RCO:A:304,valid,Ki,=,7.7,uM,c1cc(cc(c1)O)O,
,,,RCO:A:305,valid,Ki,=,7.7,uM,c1cc(cc(c1)O)O,
,,,RCO:A:306,valid,Ki,=,7.7,uM,c1cc(cc(c1)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6UFB,,,,,,,
,,,Q64:A:304,valid,Ki,=,4.4,nM,CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,6EDA,,,,,,,
,,,J3V:A:302,valid,Ki,=,0.2,uM,c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3M3X,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,JS7:A:264,valid,Kd,=,0.15,uM,COc1c(c(ncn1)NCCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6B5A,,,,,,,
,,,CQS:A:302,valid,,,,,c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3B4F,,,,,,,
,,,TUO:A:300,valid,Ki,=,7.2,nM,c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)NN)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5SZ0,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,72D:A:303,valid,Ki,=,0.8,nM,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4E3G,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,PHB:A:303,valid,Ki,=,10.6,uM,c1cc(ccc1C(=O)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4M2U,,,,,,,
,,,ETS:A:302,valid,Ki,=,9.1,nM,CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6EEO,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,J6V:A:302,valid,Ki,=,0.37,uM,Cc1cc(ccc1F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N,
,,4MDL,,,,,,,
,,,25Y:A:303,valid,Ki,=,1.16,uM,B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4R5B,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,3J4:A:303,valid,Ki,=,185,nM,C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Q99,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,HT4:A:302,valid,Ki,=,0.52,uM,Cc1ccc(c(c1)S)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,6WQ5,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,U7G:A:303,valid,Ki,=,57,nM,c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3,
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5N0E,,,,,,,
,,,8F3:A:302,valid,Ki,=,3.6,nM,c1ccc(cc1)[C@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Z1E,,,,,,,
,,,DF5:A:302,valid,Ki,=,5.7,nM,COc1ccc2c(c1)ccc[n+]2C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5WEX,,,,,,,
,,,8JS:A:303,valid,Ki,=,66.3,nM,c1cc(ccc1NC(=S)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,1BNQ,,,,,,,
,,,AL4:A:555,valid,Kd,=,0.32,nM,CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOC,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1XPZ,,,,,,,
,,,4TZ:A:270,valid,Kd,=,84,nM,c1cc(ccc1CN(c2ccc(cc2)C#N)n3cnnc3)OS(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,6H34,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,FKK:A:302,valid,Ki,=,0.5,nM,c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6SBH,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,valid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:305,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,L4K:A:304,valid,,,,,CCCCCc1ccc(cc1)S(=O)(=O)N,
,,,GLC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6QL2,,,,,,,
,,,EZL:A:306,valid,Kd,=,1.1,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BCN:A:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4Z1N,,,,,,,
,,,4KD:A:302,valid,Ki,=,5.89,nM,COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6H2Z,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FKE:A:302,valid,Ki,=,0.5,nM,c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,2NNV,,,,,,,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,M29:A:301,valid,Kd,=,0.03,uM,CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N,
,,,M29:A:302,valid,Kd,=,0.03,uM,CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q8X,,,,,,,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,7FH:A:304,valid,Ki,=,270,uM,C1=CC(=S)N(C=C1C(F)(F)F)O,
,,4KV0,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,MB7:A:304,valid,Ki,=,12,nM,Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc2ccc(nc2)S(=O)(=O)N,
,,,BME:A:303,invalid,,,,,C(CS)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1G1D,,,,,,,
,,,FSB:A:555,valid,Kd,=,0.36,nM,c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4R5A,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,3J4:A:303,valid,Ki,=,2,nM,C1CN(C[C@@H]1OS(=O)(=O)N)S(=O)(=O)[C@H]2[C@H]([C@H]([C@@H](C(O2)CO)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5SZ7,,,,,,,
,,,72H:A:302,valid,,,,,c1ccc2c(c1)cc(cn2)c3ccc(cc3)S(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4PZH,,,,,,,
,,,BCN:A:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MES:A:306,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,V13:A:305,valid,Kd,<,10,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,4Q07,,,,,,,
,,,BCN:A:304,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,V14:A:303,valid,Kd,=,7.3,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3N3J,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,WWV:A:263,valid,Ki,=,3.3,nM,CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3CAJ,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,EZL:A:265,valid,Ki,=,8,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:266,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5DOH,,,,,,,
,,,5DU:B:304,valid,Kd,=,32,nM,c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F,
,,,5DU:A:304,valid,Kd,=,32,nM,c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)N)F)F)SCCO)F,
,,,BCN:B:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,5TI0,,,,,,,
,,,7CZ:A:302,valid,Ki,=,61,uM,C1=CC=C(C(=S)C=C1)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6SDJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,J3K:A:302,valid,,,,,C[C@H](CN)O,
,,,BE7:A:306,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BE7:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,4RIU,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,3QR:A:305,valid,,,,,c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3NI5,,,,,,,
,,,C1H:A:264,valid,Ki,=,28,nM,c1cc(cc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6YZX,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3H:A:302,valid,Ki,=,29.48,nM,B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N,
,,3SBH,,,,,,,
,,,BCN:A:263,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,E65:A:266,valid,Kd,=,0.22,uM,Cc1cc(nc(n1)SCC(=O)c2ccc(cc2)S(=O)(=O)N)C,
,,,MES:A:267,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6SAS,,,,,,,
,,,463:A:305,valid,,,,,CC(=O)Nc1cccc(c1)CN,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,BE7:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,4QY3,,,,,,,
,,,HGB:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,3G1:A:302,valid,Ki,=,0.15,uM,c1ccc(cc1)C[S@](=O)c2ccccc2C(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3D9Z,,,,,,,
,,,D9Z:A:263,valid,Ki,=,2,nM,c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5MJN,,,,,,,
,,,7O8:A:302,valid,Ki,=,2.9,nM,c1cc(ccc1CSc2ccc(s2)S(=O)(=O)N)Cl,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RG3,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,K1W:A:303,valid,Ki,=,8.1,nM,c1ccc(cc1)C[C@@H]2CNCCN2C(=O)c3ccc(cc3)S(=O)(=O)N,
,,6QFV,,,,,,,
,,,J0N:A:301,valid,Kd,=,49,nM,CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4HEZ,,,,,,,
,,,1MZ:A:302,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:307,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:305,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:304,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:308,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:306,valid,,,,,Cn1cc[nH+]c1,
,,,1MZ:A:303,valid,,,,,Cn1cc[nH+]c1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1G52,,,,,,,
,,,F2B:A:555,valid,Kd,=,0.29,nM,c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5TY8,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,7Q1:A:302,valid,Kd,=,3.5,uM,c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2,
,,6YO4,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P8B:A:302,valid,,,,,B1234B567B189B212B33%10C454B656B433B%1011B353B768C9213CCCS(=O)(=O)N,
,,4Q87,,,,,,,
,,,4FH:A:303,valid,Ki,=,14,uM,C1=CN(C(=S)C=C1C(F)(F)F)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,1I9O,,,,,,,
,,,IOC:A:555,valid,Kd,=,3.8,nM,c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N,
,,,IOC:A:666,valid,Kd,=,3.8,nM,c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5FLQ,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,IO2:A:1264,valid,Kd,=,1080,uM,c1ccc(cc1)COc2ccc(cc2)CC(=O)O,
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,1YDD,,,,,,,
,,,AZM:A:264,valid,Kd,=,86,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2POV,,,,,,,
,,,I7B:A:1000,valid,Ki,=,75,nM,c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1G4J,,,,,,,
,,,FFB:A:555,valid,Kd,=,2,nM,c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N,
,,,FFB:A:666,valid,Kd,=,2,nM,c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6E91,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,J04:A:302,valid,Ki,=,0.08,uM,COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(c(cc3c2)OC)OS(=O)(=O)N,
,,3D8W,,,,,,,
,,,D8W:A:301,valid,Ki,=,7,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5FNH,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,YIP:A:1267,valid,,,,,c1cc(cc(c1)Cl)OCc2n[n-]nn2,
,,,YIP:A:1266,valid,,,,,c1cc(cc(c1)Cl)OCc2n[n-]nn2,
,,,DMS:A:1265,invalid,,,,,CS(=O)C,
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,2WEH,,,,,,,
,,,FB1:A:1263,valid,Kd,=,1125,nM,c1ccc(c(c1)S(=O)(=O)N)Cl,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,5NXP,,,,,,,
,,,9DH:A:302,valid,Ki,=,10.2,nM,CN(CC(=O)Nc1ccc(cc1)S(=O)(=O)N)c2ccccc2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3M67,,,,,,,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,E36:A:262,valid,Kd,=,0.18,uM,c1cc(c(cc1C(=O)CSc2[nH]c3cc4c(cc3n2)OCCO4)S(=O)(=O)N)Cl,
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,1I9M,,,,,,,
,,,INW:A:555,valid,Kd,=,3.3,nM,c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N,
,,,INW:A:666,valid,Kd,=,3.3,nM,c1cc(ccc1C(=O)NCc2ccc(cc2F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5JE7,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:303,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2X7S,,,,,,,
,,,GOL:A:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1262,invalid,,,,,C(C(CO)O)O,
,,,WZC:A:1263,valid,Ki,=,1660,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC,
,,,WZC:A:1264,valid,Ki,=,1660,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)N)O)OC,
,,,ZN:A:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1266,Part of Protein,,,,,[Zn+2],
,,5BRU,,,,,,,
,,,8TH:A:302,valid,,,,,CCCC12C3([Ir]1456(C3(C4(C52C)C)C)(N(CC7=[N]6C=CC(=C7)c8ccc(cc8)S(=O)(=O)N)S(=O)(=O)c9ccccc9)Cl)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2FMG,,,,,,,
,,,PHE:A:300,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1TTM,,,,,,,
,,,667:A:264,valid,Kd,=,45,nM,c1cc2c(cc1OS(=O)(=O)N)OC(=O)C3=C2CCCCC3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,5NY6,,,,,,,
,,,9EB:A:302,valid,,,,,C[C@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,R92:A:303,valid,Ki,=,13.5,nM,C[C@@H](c1ccccc1O)NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl,
,,3MHM,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,J75:A:264,valid,Kd,=,0.1,uM,c1ccc(cc1)CNc2c(c(ncn2)NCc3ccc(cc3)S(=O)(=O)N)[N+](=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2POW,,,,,,,
,,,I7C:A:1000,valid,Ki,=,63,nM,c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(F)(F)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6RM1,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,BE7:A:301,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,45L:A:304,valid,,,,,Cc1cccc(c1)C(=O)NN,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,5TXY,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,7Q1:A:303,valid,Kd,=,3.5,uM,c1ccc(cc1)[C@@H]2C(=O)NC(=O)O2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YZS,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,Q3N:A:302,valid,Ki,=,1296,nM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N,
,,1AVN,,,,,,,
,,,AZI:A:265,invalid,,,,,[N-]=[N+]=[N-],
,,,HSM:A:264,valid,Kd,=,0.125,mM,c1c(nc[nH]1)CCN,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6E8P,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,HZJ:A:302,valid,,,,,C[C@]12CCc3c4ccc(cc4ccc3[C@H]1CC[C@@H]2OS(=O)(=O)N)OS(=O)(=O)N,
,,5EHW,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,5OO:A:303,valid,Kd,=,1005,uM,c1cc(c(cc1Cl)Cl)/C=C/C(=O)O,
,,1LUG,,,,,,,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:1205,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,SUA:A:1002,valid,,,,,c1cc(ccc1NC(=S)OCCc2ccsc2)S(=O)(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5LJQ,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ANV:A:302,valid,Ki,=,1,nM,c1ccc(cc1)OCc2cn(nn2)c3ccc(cc3)S(N)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4E4A,,,,,,,
,,,JKE:A:302,valid,ic50,=,9,mM,c1ccc(c(c1)C(=O)O)S,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1ZE8,,,,,,,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,HGB:A:262,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,PIU:A:1,valid,Ki,=,21,nM,Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(=O)(=O)N)C,
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,6UGZ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q71:A:302,valid,,,,,c1cc2c(cc1F)S(=O)(=O)NC(=O)N2,
,,6S9Z,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,LYS:A:261,invalid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,L2K:A:308,valid,,,,,c1cc(c(cc1C2=NNC3=NCCN3C2)F)F,
,,,BE7:A:306,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,PG4:A:309,invalid,,,,,C(COCCOCCOCCO)O,
,,,FOR:A:307,invalid,,,,,C=O,
,,1BNN,,,,,,,
,,,AL1:A:555,valid,Kd,=,0.1,nM,COc1cccc(c1)N2CCc3cc(sc3S2(=O)=O)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6QL3,,,,,,,
,,,BEZ:A:308,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:310,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:309,invalid,,,,,CS(=O)C,
,,,MLA:A:306,invalid,,,,,C(C(=O)O)C(=O)O,
,,,V14:A:302,valid,Kd,=,4.5,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,4RUX,,,,,,,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,3W3:A:302,valid,Ki,=,12,nM,C=CCOc1ccc(cc1)S(=O)(=O)N,
,,,3W3:A:309,invalid,Ki,=,12,nM,C=CCOc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5BNL,,,,,,,
,,,2HC:A:303,valid,,,,,c1ccc(c(c1)C=CC(=O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1XQ0,,,,,,,
,,,4TR:A:270,valid,Kd,=,454,nM,c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,2Q1B,,,,,,,
,,,BEZ:A:455,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,LSA:A:500,valid,Ki,=,5950,nM,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:430,Part of Protein,,,,,[Zn+2],
,,4Q8Y,,,,,,,
,,,HQT:A:303,valid,Ki,=,2300,uM,c1ccc2c(c1)C=CN(C2=S)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5THN,,,,,,,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,7CZ:A:305,valid,Ki,=,96,uM,C1=CC=C(C(=S)C=C1)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4YXO,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,4JC:A:305,valid,Kd,=,91.4,nM,CCc1ccc(cc1)S(=O)(=O)N,
,,,4JC:A:304,valid,Kd,=,91.4,nM,CCc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,MBO:A:301,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,5DOG,,,,,,,
,,,5DT:A:304,valid,,,,,c1ccc(cc1)CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NCc3ccccc3)F,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,3BET,,,,,,,
,,,CTF:A:264,valid,ic50,=,1.5,uM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2CC#N)OS(=O)(=O)N)OC,
,,,GOL:A:263,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6QFW,,,,,,,
,,,JR8:A:301,valid,Kd,=,149,nM,CC12C3([Ir]1456(C2(C4(C53C)C)C)[N]7=CC=C(C=C7C(=O)[N]6(CCCc8ccc(cc8)S(=O)(=O)N)Cl)O)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IR:A:304,invalid,,,,,[Ir+4],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6GCY,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,3QR:A:302,valid,Ki,=,50,nM,c1cc2c(cc1n3cc(nn3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)S(=O)(=O)NC2=O,
,,7JNR,,,,,,,
,,,VFG:A:302,valid,Ki,=,66.5,nM,CCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4R59,,,,,,,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,3J3:A:302,valid,Ki,=,11,nM,C1CN(CCC1OS(=O)(=O)N)S(=O)(=O)[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,5DRS,,,,,,,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,5EF:A:305,valid,Kd,=,1.1,nM,c1ccc2c(c1)CC[C@@H]2Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,5FDC,,,,,,,
,,,5WN:A:302,valid,Ki,=,34.8,nM,c1ccc2c(c1)c(cs2)CNS(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,HGB:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,1YDA,,,,,,,
,,,AZM:A:264,valid,Kd,=,280,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5NXI,,,,,,,
,,,9DE:A:302,valid,Ki,=,217.4,nM,c1cc(ccc1NS(=O)(=O)c2ccc(cc2)Br)S(=O)(=O)N,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1CNX,,,,,,,
,,,EG2:A:555,valid,Kd,=,43,nM,c1cc(ccc1C(=O)NCCOCCOCCN)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6RMP,,,,,,,
,,,BE7:A:301,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,47S:A:303,valid,,,,,CN(C)c1cccc(c1)C(=O)NN,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,5LMD,,,,,,,
,,,RC4:A:302,valid,,,,,[B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3OC)C)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4BCW,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,TU0:A:302,valid,,,,,c1cc(c(cc1Br)/C=C/S(=O)(=O)O)O,
,,5AML,,,,,,,
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,,51J:A:266,valid,Ki,=,0.7,nM,CC#CCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N,
,,4Q7V,,,,,,,
,,,5MH:A:302,valid,Ki,=,260,uM,CC1=CN(C(=S)C=C1)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,3RYX,,,,,,,
,,,RYX:B:1,valid,Kd,=,7.3,nM,c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,5EH5,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,XCZ:A:303,valid,Kd,=,1.35,uM,Cc1ccnc(n1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1IF9,,,,,,,
,,,SBB:A:555,valid,,,,,CC[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)c2ccc3c(c2)cc[nH]3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5FNI,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,YIH:A:1265,valid,Kd,=,330,uM,c1cc(c(cc1OCc2n[n-]nn2)Cl)Cl,
,,,DMS:A:1264,invalid,,,,,CS(=O)C,
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,6RHJ,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,K4H:A:303,valid,Ki,=,2.3,nM,c1ccc(cc1)CN2CCCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,4RN4,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,3T7:A:303,valid,Ki,=,114,nM,c1ccc(cc1)n2cc(nn2)CN(Cc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5nnc(s5)S(=O)(=O)N,
,,2H15,,,,,,,
,,,B19:A:300,valid,Ki,=,2135,nM,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNS(=O)(=O)N)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q8Z,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,4HO:A:303,valid,,,,,CC1=CC(=O)N(C=C1)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3T82,,,,,,,
,,,SG4:A:300,valid,Ki,=,101,nM,CC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,1KWR,,,,,,,
,,,SG2:A:900,valid,ic50,=,0.25,uM,CN1c2ccc(cc2C(=O)S1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5THI,,,,,,,
,,,0TR:A:302,valid,Ki,=,245,uM,C1=CC=C(C(=O)C=C1)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MBO:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,1OQ5,,,,,,,
,,,CEL:A:701,valid,ic50,=,21,nM,Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,2HL4,,,,,,,
,,,BO1:A:264,valid,Ki,=,23,nM,c1cc(ccc1N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S(=O)(=O)N,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:266,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2OSM,,,,,,,
,,,HTS:A:263,valid,Ki,=,1.05,uM,c1ccc(c(c1)O)S,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3P58,,,,,,,
,,,P58:A:263,valid,Ki,=,25.4,nM,CN(Cc1ccccc1)C(=S)S,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1G53,,,,,,,
,,,F6B:A:555,valid,Kd,=,0.91,nM,c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5WG7,,,,,,,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,AUD:A:304,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:305,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:306,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:301,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:303,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:302,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,4MTY,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,SBW:A:302,valid,,,,,c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,SBW:A:310,valid,,,,,c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,SBW:A:303,valid,,,,,c1cc(cc(c1)O)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,HGB:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6T4N,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,F1A:A:302,valid,Kd,=,14,uM,Cc1cc(c(c(c1)C)S(=O)(=O)N)C,
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MJB:A:304,invalid,,,,,C1CN(CCN1)CCO,
,,3BL0,,,,,,,
,,,BL0:A:300,valid,Ki,=,121,nM,CN(C)c1nnc(s1)CS(=O)(=O)N,
,,,MBO:A:301,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2QOA,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,MAJ:A:800,valid,Ki,=,52,nM,c1cc2c(cc1S(=O)(=O)N)CCC2,
,,,MAJ:A:801,valid,Ki,=,52,nM,c1cc2c(cc1S(=O)(=O)N)CCC2,
,,,MBO:A:264,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3SAX,,,,,,,
,,,BCN:A:264,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,DMS:A:266,invalid,,,,,CS(=O)C,
,,,E50:A:263,valid,Kd,=,0.14,uM,CCc1cnc(nc1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4HEY,,,,,,,
,,,4MZ:A:307,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:308,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:306,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:303,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:310,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:309,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:304,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:302,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:305,valid,,,,,Cc1c[nH]cn1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1BCD,,,,,,,
,,,FMS:A:500,valid,Kd,=,2,nM,C(F)(F)(F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5NEE,,,,,,,
,,,8V5:A:302,valid,Ki,=,0.02,nM,c1cc(sc1c2cnc(o2)C(=O)N3CCOCC3)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5E2R,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,520:A:302,valid,Ki,=,86.2,nM,c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N,
,,3RZ7,,,,,,,
,,,RZ7:A:262,valid,Kd,=,1.1,nM,c1cc(ccc1C(=O)NCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3MHL,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,J71:A:265,valid,Kd,=,0.056,uM,COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7K6X,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VZ1:A:302,valid,,,,,Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,2FNN,,,,,,,
,,,4MZ:A:264,valid,Ki,=,200,mM,Cc1c[nH]cn1,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3P5L,,,,,,,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,IT5:A:263,valid,Ki,=,40.8,nM,c1ccc(cc1)C2(CCN(CC2)C(=S)S)C#N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5E2S,,,,,,,
,,,5CX:A:302,valid,Ki,=,0.98,nM,CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Q08,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,V90:A:305,valid,Kd,=,500,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,2WD3,,,,,,,
,,,MS4:A:1261,valid,ic50,=,86,nM,c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N,
,,,MS4:A:1262,valid,ic50,=,86,nM,c1cc(c(cc1Cn2cncn2)c3ccc(c(c3)Cl)OS(=O)(=O)N)C#N,
,,,ZN:A:1263,Part of Protein,,,,,[Zn+2],
,,6RVF,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,KKH:A:302,valid,Ki,=,730,nM,B1(c2cc(ccc2CO1)NC(=O)Nc3ccccc3)(O)O,
,,2POU,,,,,,,
,,,I7A:A:1000,valid,Ki,=,38,nM,c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6G3Q,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FO9:A:302,valid,Ki,=,57.9,nM,C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N,
,,6UGO,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CIT:A:305,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,Q77:A:302,valid,,,,,Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C,
,,,Q77:A:304,valid,,,,,Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C,
,,,Q77:A:303,valid,,,,,Cc1cc(c2c(c1)S(=O)(=O)NC(=O)N2)C,
,,4E3F,,,,,,,
,,,GRE:A:303,valid,ic50,=,3,mM,c1cc(c(c(c1)O)C(=O)O)O,
,,,GRE:A:304,valid,ic50,=,3,mM,c1cc(c(c(c1)O)C(=O)O)O,
,,,GRE:A:305,valid,ic50,=,3,mM,c1cc(c(c(c1)O)C(=O)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3NB5,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,R21:A:300,valid,Ki,=,18,nM,c1cc(ccc1CCNC(=O)Cc2ccc(c(c2)Cl)O)S(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,6EBE,,,,,,,
,,,J3V:A:302,valid,Ki,=,0.2,uM,c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5AMG,,,,,,,
,,,IW7:A:266,valid,Ki,=,6,nM,CCCCCNS(=O)(=O)c1cc(ccc1C(=O)O)S(=O)(=O)N,
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,2HOC,,,,,,,
,,,1CN:A:265,valid,Ki,=,0.3,nM,c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,1CN:A:266,valid,Ki,=,0.3,nM,c1c(cc(c(c1F)N)Cl)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:267,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,1I9N,,,,,,,
,,,IOA:A:555,valid,Kd,=,2.2,nM,c1cc(ccc1C(=O)NCc2cc(ccc2F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6SAY,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,L3Q:A:307,valid,,,,,C1CN2[C@@H](CN1)COC2=O,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,BE7:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,6YQU,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,P92:A:302,valid,,,,,c1ccc2c(c1)NC(=S)O2,
,,3DD8,,,,,,,
,,,2C7:A:300,valid,Ki,=,14,nM,c1cc2c(cc1OS(=O)(=O)N)S(=O)(=O)C(=C2)CC3CCCCCC3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q9Y,,,,,,,
,,,M3T:A:302,valid,Ki,=,2.1,uM,Cc1cccc(c1)S,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,5FLP,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,6J5:A:1265,valid,Kd,=,631,uM,c1ccc(c(c1)OCc2[nH]nnn2)Cl,
,,,6J5:A:1264,valid,Kd,=,631,uM,c1ccc(c(c1)OCc2[nH]nnn2)Cl,
,,,DMS:A:1263,invalid,,,,,CS(=O)C,
,,2WEG,,,,,,,
,,,FBV:A:1263,valid,Kd,=,314,nM,c1ccc(c(c1)F)S(=O)(=O)N,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,3RZ0,,,,,,,
,,,RZ0:B:1,valid,Kd,=,28,nM,CCCCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,4ZWY,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,4SN:A:302,valid,Ki,=,10,nM,CC(=O)OC[C@H]1[C@H](C([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1CNY,,,,,,,
,,,EG3:A:555,valid,Kd,=,14,nM,c1ccc(cc1)C[C@@H](C(=O)NCCOCCOCCNC(=O)c2ccc(cc2)S(=O)(=O)N)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3MMF,,,,,,,
,,,D9H:A:263,valid,Ki,=,37,nM,c1cc(ccc1Nc2nc(nc(n2)Cl)NCCO)S(=O)(=O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5TFX,,,,,,,
,,,7B1:A:303,valid,Ki,=,60.9,nM,c1ccc(cc1)C(=O)Nc2nc3cc(ccc3o2)S(=O)(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4WW6,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,BCN:A:305,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MLA:A:304,invalid,,,,,C(C(=O)O)C(=O)O,
,,,3TV:A:306,valid,Kd,=,0.062,nM,CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,3TV:A:307,valid,Kd,=,0.062,nM,CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3SAP,,,,,,,
,,,BCN:A:263,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,E2I:A:266,valid,Kd,=,0.014,uM,CCCCc1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,MES:A:264,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2FOV,,,,,,,
,,,B30:A:301,valid,Kd,=,28,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:A:303,valid,Kd,=,28,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,CCN:A:311,invalid,,,,,CC#N,
,,,CU:A:304,Part of Protein,,,,,[Cu+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2X7U,,,,,,,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1265,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1266,invalid,,,,,C(C(CO)O)O,
,,,WZA:A:1263,valid,Ki,=,5340,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)N)OC,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,5JEG,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:303,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2NNS,,,,,,,
,,,CL:A:321,invalid,,,,,[Cl-],
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,M25:A:301,valid,Kd,=,0.9,uM,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,,M25:A:302,valid,Kd,=,0.9,uM,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q6E,,,,,,,
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,KR5:A:305,valid,Kd,=,0.667,uM,Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4JSZ,,,,,,,
,,,FB2:A:303,valid,Ki,=,5000,uM,c1ccc(cc1)S(=O)(=O)N,
,,,FB2:A:302,valid,Ki,=,5000,uM,c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RH4,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:305,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,4NZ:A:308,valid,,,,,c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N,
,,,4NZ:A:307,valid,,,,,c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N,
,,,GLC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5FDI,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,5WM:A:302,valid,Ki,=,18.5,nM,c1ccc2c(c1)C(=CS2(=O)=O)CNS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,HGB:A:304,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,6YOL,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P5T:A:302,valid,,,,,B123B45B167B289B612B744B116B282[C@@]93B21C465CCCS(=O)(=O)N,
,,6WQ9,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,U7J:A:303,valid,Ki,=,72.5,nM,c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc4ccccc4c3,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5GMN,,,,,,,
,,,949:A:302,valid,Kd,=,18.8,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3FFP,,,,,,,
,,,BEZ:X:301,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,LC1:X:300,valid,Ki,=,72.5,nM,c1cc2c(cc1S(=O)(=O)N)nc([nH]2)c3cscn3,
,,,ZN:X:262,Part of Protein,,,,,[Zn+2],
,,3R17,,,,,,,
,,,5UM:B:1,valid,Ki,=,390,nM,c1cc(sc1)CC(=O)Nc2ccc(cc2F)S(=O)(=O)N,
,,,DMS:B:265,invalid,,,,,CS(=O)C,
,,,GOL:B:1816,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:263,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,5SZ2,,,,,,,
,,,72G:A:307,valid,Ki,=,2,nM,c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,GOL 72G:A:306,valid,,,,,S(=O)(=O)(N)c1ccc(C2C(OCC(O)CO)C(C=O)=CC=C2)cc1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2HD6,,,,,,,
,,,BOS:A:266,valid,Ki,=,16,nM,c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:265,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2QO8,,,,,,,
,,,3CC:A:800,valid,Ki,=,3.4,nM,CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(cc2C1)S(=O)(=O)N,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:263,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5FNJ,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,YI6:A:1267,valid,Kd,=,5150,uM,CCOc1ccc(cc1)CC(=O)O,
,,,YI6:A:1268,invalid,Kd,=,5150,uM,CCOc1ccc(cc1)CC(=O)O,
,,,CL:A:1266,invalid,,,,,[Cl-],
,,,DMS:A:1265,invalid,,,,,CS(=O)C,
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,1I91,,,,,,,
,,,INQ:A:555,valid,ic50,=,1.15,nM,c1cc(cc(c1)O)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4YXI,,,,,,,
,,,4J8:A:304,valid,Kd,=,318.8,nM,Cc1ccc(cc1)S(=O)(=O)N,
,,,4J8:A:303,valid,Kd,=,318.8,nM,Cc1ccc(cc1)S(=O)(=O)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YZP,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3H:A:302,valid,,,,,B123B45B167B289B31B823B966B744B622C45C321CCCCCCS(=O)(=O)N,
,,6YZN,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3Q:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCS(=O)(=O)N,
,,6YZW,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3K:A:302,valid,Ki,=,821.2,nM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCCS(=O)(=O)N,
,,6VJ3,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,QYA:A:302,valid,,,,,c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N,
,,6UFD,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q6D:A:305,valid,Ki,=,2.9,nM,CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,CL:A:306,invalid,,,,,[Cl-],
,,1BN1,,,,,,,
,,,AL5:A:555,valid,Kd,=,0.46,nM,Cc1ccc(cc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5JQT,,,,,,,
,,,6M4:A:309,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,6M4:A:302,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,6M4:A:303,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,6M4:A:308,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,6M4:A:307,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,6M9:A:306,valid,Ki,=,8180,nM,B1(c2ccccc2CO1)O,
,,,6M9:A:304,valid,Ki,=,8180,nM,B1(c2ccccc2CO1)O,
,,,HGB:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1G48,,,,,,,
,,,F6B:A:555,valid,Kd,=,3.9,nM,c1cc(c(c(c1)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5SZ4,,,,,,,
,,,72D:A:304,valid,,,,,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1AM6,,,,,,,
,,,HAE:A:555,valid,ic50,=,47,uM,CC(=O)NO,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1OKL,,,,,,,
,,,MNS:A:862,valid,Kd,=,0.93,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3OY0,,,,,,,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,OY0:A:263,valid,Ki,=,10.1,nM,CCC[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)C(C)(C)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2FOS,,,,,,,
,,,B17:A:301,valid,Kd,=,27,nM,c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B17:A:302,valid,Kd,=,27,nM,c1cc(ccc1C(=O)NCCOCCOCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,CU:A:303,Part of Protein,,,,,[Cu+2],
,,,CU:A:304,Part of Protein,,,,,[Cu+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6RRG,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:305,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,FBU:A:307,valid,,,,,c1c(cc(cc1F)S(=O)(=O)N)F,
,,,GLC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,2EZ7,,,,,,,
,,,DHI:A:301,valid,Kd,=,43.5,uM,c1c([nH+]c[nH]1)C[C@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6HX5,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GXE:A:302,valid,Ki,=,2.2,uM,c1ccc(cc1)[SeH],
,,3MZC,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,S6I:A:263,valid,Ki,=,226,nM,c1cc(ccc1NC(=O)NC2CCCC2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5A6H,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,OE2:A:1264,valid,Ki,=,88,nM,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,OE2:A:1265,valid,Ki,=,88,nM,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,OE2:A:1266,valid,Ki,=,88,nM,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,DMS:A:1263,invalid,,,,,CS(=O)C,
,,1IF7,,,,,,,
,,,SBR:A:555,valid,Kd,=,30,pM,C[C@H](CNC(=O)c1ccc(cc1)S(=O)(=O)N)Cn2ccc3c2cccc3,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7JO1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VFJ:A:303,valid,Ki,=,2.1,nM,CCCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,VFJ:A:302,valid,Ki,=,2.1,nM,CCCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,3DCW,,,,,,,
,,,EZL:A:301,valid,Ki,<,1,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6T81,,,,,,,
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,MUE:A:302,valid,Kd,=,0.77,uM,c1ccc2cc(ccc2c1)S(=O)(=O)N,
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,5JGS,,,,,,,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:301,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,3C7P,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:266,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,POF:A:265,valid,ic50,=,0.1,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC(=O)N(C2=O)Cc5cccnc5)OS(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6MBV,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NIO:A:302,valid,,,,,c1cc(cnc1)C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,5O07,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,1VQ:A:302,valid,Ki,=,33.8,nM,Cc1ncc(n1CCOS(=O)(=O)N)[N+](=O)[O-],
,,5TH4,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,BEW:A:302,valid,,,,,c1cc[n+](c(c1)S)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,6RIT,,,,,,,
,,,FBV:A:307,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)N,
,,,FBV:A:306,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)N,
,,,BGC:A:301,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:302,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,GLC:A:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BE7:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,6YZK,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3N:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCCCCS(=O)(=O)N,
,,3DAZ,,,,,,,
,,,MZM:A:263,valid,Ki,=,11.8,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4PQ7,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,IL3:A:302,valid,Ki,=,9.5,nM,CC#CCOc1ccc(cc1)CNS(=O)(=O)N,
,,,IL3:A:303,valid,Ki,=,9.5,nM,CC#CCOc1ccc(cc1)CNS(=O)(=O)N,
,,6SDS,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,L8N:A:302,valid,Ki,=,37.9,nM,c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,6RNP,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BGC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,KBB:A:303,valid,,,,,c1cc(c(cc1F)S(=O)(=O)N)F,
,,,KBB:A:304,valid,,,,,c1cc(c(cc1F)S(=O)(=O)N)F,
,,,GLC:A:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BE7:A:305,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,5L3O,,,,,,,
,,,QUK QVS 6H0 QUJ QVE:A:303,valid,,,,,S(=O)(=O)(N)c1ccc(C(=O)NCc2cc(OCCCCNC(=O)Nc3c4nc(C(=O)Nc5c6nc(C(=O)Nc7c8nc(C(=O)Nc9c%10nc(C(=O)[O-])cc(OCC(=O)[O-])c%10ccc9)cc(O)c8ccc7)cc(OCCC)c6ccc5)cc(OCCC)c4ccc3)ccc2)cc1,
,,,QUJ QUK 6H0 QVS QVE:A:310,valid,,,,,,
,,,QUJ QUK 6H0 QVS QVE:B:303,valid,,,,,,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,6H0:A:309,invalid,,,,,c1cc(cc(c1)OCCCCNC=O)CNC(=O)c2ccc(cc2)S(=O)(=O)N,
,,1G54,,,,,,,
,,,FFB:A:555,valid,Kd,=,1.5,nM,c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Z1K,,,,,,,
,,,4KB:A:302,valid,Ki,=,4.7,nM,c1cc(ccc1C(=O)N2CCc3cc(c(cc3C2)O)O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4JSS,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEW:A:303,valid,Ki,=,500,uM,c1cc[n+](c(c1)S)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2Q38,,,,,,,
,,,BEZ:A:700,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,LSA:A:503,valid,Ki,=,5950,nM,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,,LSA:A:504,valid,Ki,=,5950,nM,c1ccc2c(c1)C(=O)NS2(=O)=O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,3HS4,,,,,,,
,,,AZM:A:701,valid,Ki,=,10,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:A:702,valid,Ki,=,10,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:A:703,valid,Ki,=,10,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YO7,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P7Z:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787B911C232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O)N,
,,4BF6,,,,,,,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,X0Q:A:1263,valid,Ki,=,4.5,nM,c1cc(cc(c1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N)C#N,
,,2HKK,,,,,,,
,,,ALE:A:300,valid,Ka,=,96,M^-1,CNC[C@@H](c1ccc(c(c1)O)O)O,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,6SB7,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,BE7:A:308,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BE7:A:307,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,8K2:A:310,valid,,,,,c1cc(sc1S(=O)(=O)N)Cl,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,TRS:A:309,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,7K6U,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VYY:A:302,valid,,,,,Cc1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,2NNG,,,,,,,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZYX:A:301,valid,Kd,=,4.4,uM,c1cc(ccc1CCN)S(=O)(=O)N,
,,3F8E,,,,,,,
,,,BEZ:A:301,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,TE1:A:300,valid,Ki,=,59,nM,CC(C)C[C@@H](c1cc(c(cc1OC)O)/C=CC(=O)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5NYA,,,,,,,
,,,FB2:A:302,valid,Ki,=,415.6,nM,c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GUA:A:303,invalid,,,,,C(CC(=O)O)CC(=O)O,
,,5FLO,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,J4K:A:1263,valid,Kd,=,709,uM,c1cc(ccc1OCc2[nH]nnn2)Cl,
,,3DD0,,,,,,,
,,,EZL:A:301,valid,Ki,<,1,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3ML2,,,,,,,
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,SU0:A:263,valid,Ki,=,9.1,nM,COc1ccc2c(c1)OC(=O)C=C2CC(=O)Nc3ccc(cc3)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6RL9,,,,,,,
,,,SAN:A:306,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,SAN:A:305,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,SAN:A:304,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BGC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:309,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BE7:A:310,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,4M2R,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BZ1:A:302,valid,Ki,=,3.2,nM,CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC,
,,4JSA,,,,,,,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FB2:A:303,valid,Ki,=,11,uM,c1ccc(cc1)S(=O)(=O)N,
,,,FB2:A:304,valid,Ki,=,11,uM,c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3CYU,,,,,,,
,,,0CR:A:263,valid,Kd,=,60,nM,COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O,
,,,1CR:A:264,valid,Kd,=,60,nM,COc1cc2c3cc1OCCOc4cc5c(cc4OCc6cn(nn6)CCc7ccc(cc7)S(=O)(=O)N)Cc8cc9c(cc8Cc1cc(c(cc1C5)OCc1cn(nn1)CCC(=O)O)OCCOc1cc(c(cc1OC)Cc1cc(c(cc1C3)OC)OCCO9)C2)OCc1cn(nn1)CCC(=O)O,
,,,XE:A:265,invalid,,,,,[Xe],
,,,XE:A:266,invalid,,,,,[Xe],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6EEA,,,,,,,
,,,J3V:A:302,valid,Ki,=,0.2,uM,c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N,
,,,J3V:A:303,valid,Ki,=,0.2,uM,c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)N(=O)=O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1IF4,,,,,,,
,,,FBS:A:555,valid,,,,,c1cc(ccc1F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1BNW,,,,,,,
,,,TPD:A:555,valid,Kd,=,0.83,nM,c1cc(sc1)CNS(=O)(=O)c2ccc(s2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2EU3,,,,,,,
,,,FF3:A:263,valid,,,,,c1(nnc(s1)N)C(F)(F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2QP6,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,MB1:A:800,valid,Ki,=,208,nM,c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl,
,,,MBO:A:265,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6U4Q,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,PX7:A:302,valid,Ki,=,150.3,nM,CN1c2ccccc2S(=O)(=O)NC1=O,
,,5JES,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,EVF:B:303,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,5JDV,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4MDM,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,26E:A:302,valid,Ki,=,6.79,uM,B123B45B167B289B31B823B966B744B622[C@]45C321CNS(=O)(=O)N,
,,3RZ8,,,,,,,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,RZ8:A:262,valid,Kd,=,6.7,nM,CCCCCCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3EFT,,,,,,,
,,,3BS:A:300,valid,Ki,=,12,nM,CC1(CC(CC(N1O)(C)C)NC(=S)Nc2ccc(cc2Cl)S(=O)(=O)N)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5U0D,,,,,,,
,,,7R7:A:302,valid,Kd,=,28.6,uM,COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=S)O2,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YOK,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P82:A:302,valid,,,,,B1234B567B189B212B88%10C955(B669B733C411(B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(=O)N,
,,1CIN,,,,,,,
,,,MMC:A:263,invalid,,,,,C[Hg+],
,,,MTS:A:264,valid,Ki,=,1.88,nM,C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)NC,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6ECZ,,,,,,,
,,,J4D:A:302,valid,Ki,=,0.27,uM,c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RG4,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,K45:A:304,valid,Ki,=,5.4,nM,CN1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,4MLX,,,,,,,
,,,TM7:A:303,valid,Ki,=,0.65,mM,CC1=CC(=S)C(=CO1)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2FMZ,,,,,,,
,,,DPN:A:300,valid,Ki,=,35,nM,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5SZ6,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,72G:A:302,valid,,,,,c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,3IEO,,,,,,,
,,,AMJ:A:300,valid,Ki,=,331,nM,CC(=O)N[C@@H](COC)C(=O)NCc1ccccc1,
,,,BEZ:A:301,valid,,,,,c1ccc(cc1)C(=O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3F4X,,,,,,,
,,,KLT:A:300,valid,Ki,=,138,nM,c1ccc2c(c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6YZU,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q4B:A:303,valid,Ki,=,299.4,nM,B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N,
,,,Q38:A:302,valid,Ki,=,299.4,nM,B123B45B167B289B31B823B966B744B622[C@]45C321CCCCCS(=O)(=O)N,
,,3T5U,,,,,,,
,,,A09:A:263,valid,Ki,=,5.47,uM,c1ccc(cc1)S(=O)(=O)NO,
,,,A09:A:264,valid,Ki,=,5.47,uM,c1ccc(cc1)S(=O)(=O)NO,
,,,A09:A:265,valid,Ki,=,5.47,uM,c1ccc(cc1)S(=O)(=O)NO,
,,,A09:A:266,valid,Ki,=,5.47,uM,c1ccc(cc1)S(=O)(=O)NO,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:268,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1BNU,,,,,,,
,,,AL3:A:555,valid,Kd,=,0.2,nM,c1cc(sc1)C[N@]2C[C@@H](c3cc(sc3S2(=O)=O)S(=O)(=O)N)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1OKN,,,,,,,
,,,STB:A:555,valid,Kd,=,2.3,nM,c1cc(ccc1C(=O)NCCCCNCS)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7JO0,,,,,,,
,,,VFG:A:302,valid,Ki,=,12.8,nM,CCC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3DBU,,,,,,,
,,,D8W:A:301,valid,Ki,=,8.8,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7K6L,,,,,,,
,,,VZD:A:304,valid,Ki,=,458.3,nM,c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,VZD:A:302,valid,Ki,=,458.3,nM,c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,VZD:A:303,valid,Ki,=,458.3,nM,c1cc(ccc1NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4MO8,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,2VQ:A:302,valid,Ki,=,10.1,nM,Cc1ncc(n1CCNS(=O)(=O)N)[N+](=O)[O-],
,,1I9P,,,,,,,
,,,IOE:A:555,valid,Kd,=,3.9,nM,c1cc(ccc1C(=O)NCc2c(cc(cc2F)F)F)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6B59,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CQS:A:302,valid,Ki,=,8.2,nM,c1cc(ccc1CCNC(=O)Cn2cnc3c2ncnc3N)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,3N2P,,,,,,,
,,,AYX:A:263,valid,Ki,=,15,nM,c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6T4P,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,MHK:A:305,valid,Kd,=,2.9,uM,c1ccc2c(c1)cccc2S(=O)(=O)N,
,,4QJM,,,,,,,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BCN:A:303,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,V1F:A:302,valid,Kd,=,6.7,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,3M40,,,,,,,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,J45:A:263,valid,Kd,=,0.17,uM,c1cc(ccc1Nc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5TY9,,,,,,,
,,,7QV:A:302,valid,Kd,=,6.1,uM,COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5NXV,,,,,,,
,,,9E2:A:302,valid,Ki,=,3.5,nM,Cc1c(c(nn1CC(=O)Nc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-])Cl,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5NXO,,,,,,,
,,,9HK:A:303,valid,Ki,=,4.9,nM,c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-],
,,,9HK:A:302,valid,Ki,=,4.9,nM,c1cc(ccc1Cc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2FOU,,,,,,,
,,,B22:A:301,valid,Kd,=,80,nM,c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N,
,,,B22:A:303,valid,Kd,=,80,nM,c1cc(cc(c1)NC(=O)CN2CC(=O)O[Cu]OC(=O)C2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N,
,,,CU:A:302,Part of Protein,,,,,[Cu+2],
,,,GOL:A:351,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4QSA,,,,,,,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,EWW:A:302,valid,Kd,=,40,nM,CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,5FNG,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,YIE:A:1263,valid,Kd,=,1105,uM,c1cc(ccc1Cc2[n-]nnn2)Cl,
,,6QFX,,,,,,,
,,,JR3:A:301,valid,Kd,=,20,nM,CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=CC=C(C=C7C(=O)N6CC(=O)Nc8ccc(cc8)S(=O)(=O)N)O)Cl)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4BF1,,,,,,,
,,,NA:A:272,Part of Protein,,,,,[Na+],
,,,9FK:A:271,valid,Ki,=,2.4,nM,c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N,
,,,ZN:A:270,Part of Protein,,,,,[Zn+2],
,,6C7W,,,,,,,
,,,LMS:A:302,valid,Ki,=,3410,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,4ZWI,,,,,,,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,62I:A:309,valid,,,,,CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)S(=O)(=O)N2CCC(CC2)OS(=O)(=O)N)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1BN3,,,,,,,
,,,AL6:A:555,valid,Kd,=,0.13,nM,COc1cccc(c1)N2C=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4Q90,,,,,,,
,,,4H2:A:302,valid,Ki,=,7,mM,CC1=CC(=S)NC=C1,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,5EHV,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,5ON:A:301,valid,Kd,=,826,uM,c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O,
,,,NA:A:305,invalid,,,,,[Na+],
,,4MDG,,,,,,,
,,,25X:A:302,valid,Ki,=,0.7,uM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YZR,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q3W:A:302,valid,Ki,=,333,nM,B123B45B167B289B31B823B966B744B622C45C321CCCCS(=O)(=O)N,
,,5JQ0,,,,,,,
,,,6M4:A:302,valid,,,,,[B-]1(c2ccccc2CO1)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RS5,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,KGK:A:305,valid,,,,,Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,KGK:A:306,valid,,,,,Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,GLC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6UX1,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,TRS:A:307,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SAL:A:306,valid,ic50,=,6.6,mM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:304,valid,ic50,=,6.6,mM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:305,valid,ic50,=,6.6,mM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:303,valid,ic50,=,6.6,mM,c1ccc(c(c1)C(=O)O)O,
,,3MNU,,,,,,,
,,,BON:A:265,valid,Ki,=,48,nM,B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O)N,
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:263,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,2ABE,,,,,,,
,,,HIS:A:300,valid,Ki,=,113,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4HEW,,,,,,,
,,,2MZ:A:302,valid,,,,,Cc1[nH]ccn1,
,,,2MZ:A:303,valid,,,,,Cc1[nH]ccn1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5G01,,,,,,,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,OE2:A:1264,valid,,,,,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,OE2:A:1263,valid,,,,,c1cc(c(cc1C/C(=NO)/C(=O)NCCS(=O)(=O)N)Br)O,
,,,SO4:A:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:1266,Part of Protein,,,,,[Na+],
,,3RYY,,,,,,,
,,,RYY:A:262,valid,Kd,=,38,nM,CCCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,RYY:A:263,valid,Kd,=,38,nM,CCCNC(=O)c1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,5NXW,,,,,,,
,,,RA9:A:303,valid,Ki,=,57.4,nM,c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N,
,,,RA9:A:302,valid,Ki,=,57.4,nM,c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6RQI,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:305,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,FBW:A:307,valid,,,,,c1cc(cc(c1)S(=O)(=O)N)F,
,,,GLC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3SBI,,,,,,,
,,,BCN:A:265,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,E90:A:266,valid,Kd,=,0.017,uM,c1cnc(nc1)SCC(=O)c2ccc(cc2)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6YOI,,,,,,,
,,,P7H:A:302,valid,,,,,B1234B567B189B212B33%10B454B656B787C911(B232B715C4%1062CCCS(=O)(=O)N)CCCS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5FNL,,,,,,,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,5ON:A:1264,valid,Kd,=,826,uM,c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O,
,,,GOL:A:1263,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1262,invalid,,,,,CS(=O)C,
,,3RZ1,,,,,,,
,,,DMS:B:263,invalid,,,,,CS(=O)C,
,,,RZ1:B:1,valid,Kd,=,1.8,nM,c1cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,4QSB,,,,,,,
,,,EWY:A:302,valid,Kd,=,1300,nM,CC1=CC(=O)NC(=N1)SCC(=O)c2cccc(c2)S(=O)(=O)N,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,1YDB,,,,,,,
,,,AZM:A:264,valid,Kd,=,5.8,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5EKJ,,,,,,,
,,,TG4:A:303,valid,Kd,=,1,uM,CCCCNCC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Q7W,,,,,,,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,6MH:A:302,valid,Ki,=,2300,uM,CC1=CC=CC(=S)N1O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,NA:A:305,invalid,,,,,[Na+],
,,2EU2,,,,,,,
,,,5DS:A:263,valid,,,,,CN(C)c1nnc(s1)[C@H](N)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4CQ0,,,,,,,
,,,FMT:A:1263,invalid,,,,,C(=O)O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,SXS:A:1264,valid,,,,,c1cc2c(cc1N)S(=O)(=O)NC2=O,
,,1MOO,,,,,,,
,,,4MZ:A:264,valid,,,,,Cc1c[nH]cn1,
,,,4MZ:A:265,valid,,,,,Cc1c[nH]cn1,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7K6K,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,VZ1:A:303,valid,Ki,=,474.5,nM,Cc1cc(cc(c1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,3DC3,,,,,,,
,,,AZM:A:263,valid,Ki,=,4.9,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3MNA,,,,,,,
,,,DWH:A:263,valid,Ki,=,41,nM,COC(=O)CNc1nc(nc(n1)Cl)Nc2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6UH0,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,PX7:A:302,valid,Ki,=,853.1,nM,CN1c2ccccc2S(=O)(=O)NC1=O,
,,1CNW,,,,,,,
,,,EG1:A:555,valid,Kd,=,19,nM,c1cc(ccc1C(=O)NCCOCCOCCNC(=O)CN)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,7JNZ,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VGV:A:303,valid,Ki,=,62.8,nM,C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,6UGP,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,TRS:A:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,Q7A:A:302,valid,Ki,=,685.5,nM,c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O,
,,,Q7A:A:303,valid,Ki,=,685.5,nM,c1cc2c(c(c1)Cl)NC(=O)NS2(=O)=O,
,,4Z0Q,,,,,,,
,,,4K9:A:1002,valid,Ki,=,6.8,nM,c1ccc2c(c1)CCCN2C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,6ROE,,,,,,,
,,,GLC:A:303,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BGC:A:301,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:302,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,FBT:A:307,valid,,,,,c1cc(c(c(c1)F)S(=O)(=O)N)F,
,,,FBT:A:308,valid,,,,,c1cc(c(c(c1)F)S(=O)(=O)N)F,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,BE7:A:306,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,6YZV,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q2Z:A:302,valid,Ki,=,21,nM,B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CCS(=O)(=O)N,
,,6YQT,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,P9E:A:302,valid,,,,,c1cc2c(cc1S(=O)(=O)N)NC(=S)O2,
,,,P9E:A:303,valid,,,,,c1cc2c(cc1S(=O)(=O)N)NC(=S)O2,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4LP6,,,,,,,
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,Q4I:B:301,valid,,,,,CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O,
,,,Q4I:A:301,valid,,,,,CC(C)COc1cc(nc2c1cccc2NC(=O)NCCCCOc3cccc(c3)CNC(=O)c4ccc(cc4)S(=O)(=O)N)C(=O)Nc5cccc6c5nc(cc6O)C(=O)Nc7cccc8c7nc(cc8OCCCN)C(=O)Nc9cccc1c9nc(cc1OCC(=O)O)C(=O)O,
,,5THJ,,,,,,,
,,,0TR:A:302,valid,Ki,=,1350,uM,C1=CC=C(C(=O)C=C1)O,
,,,DMS:A:309,invalid,,,,,CS(=O)C,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,CIT:A:311,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6YZM,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,Q4B:A:302,valid,,,,,B123B45B167B289B31B823B966B744B622[C@@]45C321CCCCCS(=O)(=O)N,
,,2HNC,,,,,,,
,,,1SA:A:265,valid,Ki,=,60,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,MBO:A:262,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,6WQ7,,,,,,,
,,,U6V:A:303,valid,Ki,=,30.4,nM,c1ccc(cc1)CCN(CCCN)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccc(cc3)F,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6RKN,,,,,,,
,,,FBS:A:305,valid,,,,,c1cc(ccc1F)S(=O)(=O)N,
,,,FBS:A:304,valid,,,,,c1cc(ccc1F)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:308,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6OE1,,,,,,,
,,,M8V:A:303,valid,Ki,=,3.1,nM,c1cc(ccc1NC(=O)CN2C(=O)C3(CCCCC3)NC2=O)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6RHK,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,K4B:A:302,valid,Ki,=,0.6,nM,c1ccc(cc1)CN2CCN(C2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3S9T,,,,,,,
,,,BCN:A:265,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:263,invalid,,,,,CS(=O)C,
,,,DMS:A:264,invalid,,,,,CS(=O)C,
,,,E49:A:266,valid,Kd,=,0.22,uM,Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4ILX,,,,,,,
,,,1EZ:A:303,valid,Ki,=,233,nM,c1cc(ccc1NC(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5AMD,,,,,,,
,,,45I:A:266,valid,Ki,=,2.8,nM,c1ccc(cc1)CCNS(=O)(=O)c2cc(ccc2C(=O)O)S(=O)(=O)N,
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,6R6F,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,EA3:A:302,valid,,,,,c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,3P4V,,,,,,,
,,,PMX:A:300,valid,Ki,=,8,uM,COC(=O)/C=C/C(=O)N[C@@H](Cc1ccc(c(c1)Cl)O)C(=O)O,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,7JOC,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ARZ:A:302,valid,ic50,=,6.4,nM,C1C2CC3CC1CC(C2)(C3)C(=O)Nc4nnc(s4)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3IBI,,,,,,,
,,,BOW:A:300,valid,Ki,=,2.6,nM,CCCCCCCCOS(=O)(=O)N,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,HGB:A:400,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5JEH,,,,,,,
,,,EVF:B:302,valid,,,,,c1ccc2c(c1)nc(s2)S(=O)(=O)N,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6EQU,,,,,,,
,,,BVE:A:302,valid,Ki,=,419,nM,c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4ccc(cc4)S(=O)(=O)N)c5ccccc5,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5TY1,,,,,,,
,,,7QV:A:302,valid,Kd,=,3.5,uM,COc1ccc(c(c1)OC)[C@@H]2C(=O)NC(=O)O2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,7K6I,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,VYV:A:303,valid,Ki,=,444.5,nM,c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,VYV:A:305,valid,Ki,=,444.5,nM,c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,VYV:A:302,valid,Ki,=,444.5,nM,c1ccc(cc1)NC(=O)NCCS(=O)(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,6RRI,,,,,,,
,,,KFH:A:305,valid,,,,,c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,KFH:A:304,valid,,,,,c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BE7:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,,,BGC:A:307,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5FNM,,,,,,,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,5O6:A:1262,valid,Kd,=,791,uM,C/C(=CC(=O)O)/c1ccc(cc1)OC,
,,1ZSB,,,,,,,
,,,AZM:A:264,valid,Kd,=,250,mM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6E8X,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,J0A:A:302,valid,Ki,=,0.07,uM,C[C@]12C=Cc3c(ccc4c3cc(c(c4)OS(=O)(=O)N)OC)[C@@H]1CC[C@@H]2OS(=O)(=O)N,
,,3OYQ,,,,,,,
,,,DMS:A:3092,invalid,,,,,CS(=O)C,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,OYQ:A:263,valid,Ki,=,10.3,nM,CC[C@H](C)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3T85,,,,,,,
,,,SG7:A:300,valid,Ki,=,11.3,nM,CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)O)O)COS(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,1IF5,,,,,,,
,,,FBT:A:555,valid,,,,,c1cc(c(c(c1)F)S(=O)(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3IBN,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,HGB:A:400,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,O60:A:300,valid,Ki,=,24.5,nM,C(CCCCCOS(=O)(=O)N)CCCCOS(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4KAP,,,,,,,
,,,1QV:A:302,valid,,,,,c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5E28,,,,,,,
,,,BC5:A:302,valid,Ki,=,12.3,nM,c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5WGP,,,,,,,
,,,AUD:A:304,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:303,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,AUD:A:302,valid,,,,,CC1=CC(=O)NS(=O)(=O)O1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5LVS,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,QUJ QUK 6H0 QVS QVE:A:311,valid,,,,,,
,,,QUK QVS 6H0 QUJ QVE:A:303,valid,,,,,S(=O)(=O)(N)c1ccc(C(=O)NCc2cc(OCCCCNC(=O)Nc3c4nc(C(=O)Nc5c6nc(C(=O)Nc7c8nc(C(=O)Nc9c%10nc(C(=O)[O-])cc(OCC(=O)[O-])c%10ccc9)cc(O)c8ccc7)cc(OCCC)c6ccc5)cc(OCCC)c4ccc3)ccc2)cc1,
,,,QUJ FOR QUK QUK QUJ:A:314,valid,,,,,O=C(Nc1c2nc(C(=O)Nc3c4nc(C(=O)[O-])cc(O)c4ccc3)cc(O)c2ccc1)Nc1c2nc(C(=O)NC3=CC=CC4=C(OCC(C)C)C=C(C(=O)[O-])N[C-]34)cc(O)c2ccc1,
,,5SZ1,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,72E:A:307,valid,Ki,=,1.2,nM,Cc1ccccc1c2ccc(cc2)S(=O)(=O)N,
,,1I90,,,,,,,
,,,INM:A:555,valid,ic50,=,1.28,nM,COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6D1M,,,,,,,
,,,FQY:A:303,valid,Ki,=,6.3,nM,c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2,
,,,FQY:A:302,valid,Ki,=,6.3,nM,c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5NY1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,9E5:A:302,valid,Ki,=,366.7,nM,Cc1ccc2c(c(oc2c1C)C(=O)NCc3ccc(cc3)S(=O)(=O)N)C,
,,4IWZ,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,1GO:A:301,valid,Ki,=,51,nM,c1cc(sc1)CC(=O)Nc2nnc(s2)S(=O)(=O)N,
,,4E3H,,,,,,,
,,,HQE:A:303,valid,Ki,=,90,nM,c1cc(ccc1O)O,
,,,MBO:A:302,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1I8Z,,,,,,,
,,,INL:A:555,valid,ic50,=,1.27,nM,COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6E92,,,,,,,
,,,HZY:A:302,valid,Ki,=,0.002,uM,COc1cc(cc(c1OC)OC)C[n+]2ccc3cc(ccc3c2)OS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2F14,,,,,,,
,,,FL1:A:1270,valid,Kd,=,0.64,nM,c1cc(ccc1CCNC(=S)Nc2ccc(c(c2)C(=O)O)C3=C4C=CC(=O)C=C4Oc5c3ccc(c5)O)S(=O)(=O)N,
,,,GOL:A:1266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1267,invalid,,,,,C(C(CO)O)O,
,,,HGB:A:1206,invalid,,,,,c1cc(ccc1C(=O)O)[Hg]O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,6UFC,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:304,invalid,,,,,[Na+],
,,,Q6A:A:302,valid,Ki,=,0.45,nM,CC(=O)/C(=C/c1ccc(cc1)OC)/C(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3R16,,,,,,,
,,,5UN:A:1,valid,Ki,=,50,nM,c1cc(sc1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,GOL:A:1816,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:263,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6EEH,,,,,,,
,,,J4D:A:302,valid,Ki,=,0.29,uM,c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O,
,,,J4D:A:304,valid,Ki,=,0.29,uM,c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O,
,,,J4D:A:303,valid,Ki,=,0.29,uM,c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1CIL,,,,,,,
,,,ETS:A:263,valid,Ki,=,0.372,nM,CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,5WLV,,,,,,,
,,,42G:A:303,valid,Ki,=,3,nM,CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O,
,,,42G:A:302,valid,Ki,=,3,nM,CC(C)NC[C@H](COc1ccc(cc1)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4ZX0,,,,,,,
,,,5L2:A:302,valid,,,,,CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)N2C[C@@H](C[C@H]2C(=O)OC)OS(=O)(=O)N)O)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6WQ8,,,,,,,
,,,U77:A:304,valid,Ki,=,2.4,nM,c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3,
,,,U77:A:303,valid,Ki,=,2.4,nM,c1ccc(cc1)CCN(CCC(=O)O)CC(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3ccco3,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3MHI,,,,,,,
,,,DMS:A:265,invalid,,,,,CS(=O)C,
,,,DMS:A:266,invalid,,,,,CS(=O)C,
,,,J90:A:263,valid,Kd,=,0.2,uM,c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N,
,,,J90:A:264,valid,Kd,=,0.2,uM,c1cc(ccc1CNC2=C(C(=O)NC=N2)[N+](=O)[O-])S(=O)(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3DCC,,,,,,,
,,,D9Z:A:263,valid,Ki,=,1.1,nM,c1ccc(c(c1)c2nnc(s2)S(=O)(=O)N)Cl,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,6UZU,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,6LU:A:302,valid,Ki,=,7,nM,Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4KNI,,,,,,,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,E1E:A:305,valid,Kd,=,16.7,nM,Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3IGP,,,,,,,
,,,DT7:A:263,valid,Ki,=,32.8,nM,COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N,
,,,DT7:A:264,valid,Ki,=,32.8,nM,COc1cc2c(cc1OC)C[N@@](CC2)S(=O)(=O)N,
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3RYJ,,,,,,,
,,,RYJ:B:1,valid,Kd,=,16,nM,c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,2FOQ,,,,,,,
,,,B15:A:301,valid,Kd,=,235,nM,c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N,
,,,B15:A:303,valid,Kd,=,235,nM,c1cc(ccc1CCNC(=O)c2ccc(cc2)CN3CC(=O)O[Cu]OC(=O)C3)S(=O)(=O)N,
,,,GOL:A:351,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4ZWX,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,5KZ:A:304,valid,Ki,=,2,nM,CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)S(=O)(=O)NCCCCCOS(=O)(=O)N)OC(=O)C)OC(=O)C)OC(=O)C,
,,6T4O,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,MJ2:A:304,valid,Kd,=,18,uM,Cc1cc(cc(c1)S(=O)(=O)N)C,
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,5N0D,,,,,,,
,,,8F2:A:302,valid,Ki,=,3.3,nM,c1ccc(cc1)[C@@H]2c3cc(c(cc3CCN2C(=O)c4ccc(cc4)S(=O)(=O)N)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4Q83,,,,,,,
,,,3FH:A:302,valid,Ki,=,64,uM,C1=CN(C(=S)C(=C1)C(F)(F)F)O,
,,,MBO:A:303,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,7JO3,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,VGS:A:302,valid,Ki,=,8.2,nM,CC(C)(C)C(=O)Nc1nnc(s1)S(=O)(=O)N,
,Family. Representative Entry is ,5E2N,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,CIT:B:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,V14:A:307,valid,Kd,=,0.29,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:B:306,valid,Kd,=,0.29,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4QJX,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,WWO:A:304,valid,Kd,=,52,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,4HU1,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,V13:B:302,valid,Kd,=,29,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,V13:A:302,valid,Kd,=,29,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6G5U,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,ENN:B:302,valid,Kd,=,6.3,nM,CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N,
,,,ENN:A:302,valid,Kd,=,6.3,nM,CCCCNC(=O)c1cc(c(cc1Cl)Cl)S(=O)(=O)N,
,,,CIT:A:304,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4KNN,,,,,,,
,,,E1F:A:302,valid,Kd,=,16.7,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,E1F:B:302,valid,Kd,=,16.7,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACY:B:307,invalid,,,,,CC(=O)O,
,,,ACY:B:308,invalid,,,,,CC(=O)O,
,,,ACY:B:306,invalid,,,,,CC(=O)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4KNM,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,E1E:A:302,valid,Kd,=,10,nM,Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C,
,,,E1E:B:302,valid,Kd,=,10,nM,Cc1cc(nc(n1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N)C,
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,4QIZ,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,WWX:B:303,valid,Kd,=,7.1,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:A:304,valid,Kd,=,7.1,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3CZV,,,,,,,
,,,AZM:A:263,valid,Ki,=,16,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:263,valid,Ki,=,16,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,GOL:B:264,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,4QJP,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,V1F:A:303,valid,Kd,=,2.5,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,V1F:B:303,valid,Kd,=,2.5,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4QSJ,,,,,,,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,CIT:B:308,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:305,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EWW:A:302,valid,Kd,=,5,nM,CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,EWW:B:302,valid,Kd,=,5,nM,CC1=CC(=O)NC(=N1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:306,invalid,,,,,C(COCCO)O,
,,,NI:A:303,invalid,,,,,[Ni+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4COQ,,,,,,,
,,,PG6:A:303,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:B:302,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:A:302,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:A:306,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PGE:B:307,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:305,invalid,,,,,C(COCCOCCO)O,
,,,ZN:B:299,Part of Protein,,,,,[Zn+2],
,,,ZN:A:299,Part of Protein,,,,,[Zn+2],
,,,SAN:A:300,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,SAN:B:300,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:B:1248,invalid,,,,,[Cl-],
,,4UOV,,,,,,,
,,,CL:D:307,invalid,,,,,[Cl-],
,,,CL:F:308,invalid,,,,,[Cl-],
,,,CL:D:304,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:E:307,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:E:304,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:F:304,invalid,,,,,[Cl-],
,,,CL:C:307,invalid,,,,,[Cl-],
,,,PEG:F:310,invalid,,,,,C(COCCO)O,
,,,PEG:E:313,invalid,,,,,C(COCCO)O,
,,,PEG:F:314,invalid,,,,,C(COCCO)O,
,,,PEG:E:314,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:310,invalid,,,,,C(COCCO)O,
,,,PEG:C:314,invalid,,,,,C(COCCO)O,
,,,PEG:B:314,invalid,,,,,C(COCCO)O,
,,,AZM:E:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:A:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:C:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:F:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:D:299,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,PGE:F:309,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:305,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TLA:A:306,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:306,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:306,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,PE3:A:300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:F:300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ZN:F:298,Part of Protein,,,,,[Zn+2],
,,,ZN:D:298,Part of Protein,,,,,[Zn+2],
,,,ZN:A:298,Part of Protein,,,,,[Zn+2],
,,,ZN:E:298,Part of Protein,,,,,[Zn+2],
,,,ZN:C:298,Part of Protein,,,,,[Zn+2],
,,,ZN:B:298,Part of Protein,,,,,[Zn+2],
,,,B3P:A:301,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:F:301,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:D:301,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:C:301,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:E:301,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,PG5:B:312,invalid,,,,,COCCOCCOCCOC,
,Family. Representative Entry is ,4YGF,,,,,,,
,,,AZM:F:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:D:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:G:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:C:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:A:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:H:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:E:303,valid,Ki,=,21,nM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,4YHA,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,MZM:H:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:A:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:D:302,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:F:302,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:E:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:B:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:C:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,MZM:G:303,valid,Ki,=,225,nM,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5TT8,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,D8W:B:303,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:D:302,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:A:303,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:C:303,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:E:303,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:G:302,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,D8W:H:302,valid,Ki,=,315,nM,c1ccc(cc1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5TT3,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,EZL:G:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:E:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:C:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:A:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:B:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:F:302,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,EZL:H:303,valid,Ki,=,193,nM,CCOc1ccc2c(c1)sc(n2)S(=O)(=O)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5TUO,,,,,,,
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,1SA:C:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:H:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:F:302,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:B:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:E:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:A:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:D:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,1SA:G:303,valid,Ki,=,323,nM,c1(nnc(s1)S(=O)(=O)N)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4WR7,,,,,,,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,3TV:A:302,valid,Kd,=,0.002,nM,CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,3TV:B:302,valid,Kd,=,0.002,nM,CCCSc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6Y00,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O5T:B:302,valid,Ki,=,653.8,nM,c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br,
,,,O5T:A:302,valid,Ki,=,653.8,nM,c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCNCc2ccc(cc2O)Br,
,,6EVR,,,,,,,
,,,BZW:A:302,valid,Ki,=,8.8,nM,CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,BZW:B:302,valid,Ki,=,8.8,nM,CC(=O)N1CCN(C[C@@H]1Cc2ccccc2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2NMX,,,,,,,
,,,M25:A:311,valid,Kd,=,2.7,uM,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,,M25:B:312,valid,Kd,=,2.7,uM,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,,NA:B:351,Part of Protein,,,,,[Na+],
,,,TRS:B:361,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,6HWZ,,,,,,,
,,,GXE:B:302,valid,Ki,=,6.7,uM,c1ccc(cc1)[SeH],
,,,GXE:A:302,valid,Ki,=,6.7,uM,c1ccc(cc1)[SeH],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6FAF,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,D3B:A:302,valid,Ki,=,306.1,nM,Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C,
,,,D3B:B:302,valid,Ki,=,306.1,nM,Cc1ccc(c(c1)NC(=O)Nc2cc(ccc2O)S(=O)(=O)N)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,1BZM,,,,,,,
,,,MZM:A:262,valid,,,,,CC(=O)/N=C1/N(N=C(S1)S(=O)(=O)N)C,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,2FW4,,,,,,,
,,,HIS:A:500,valid,Kd,=,30,nM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:501,valid,Kd,=,30,nM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,ZN:A:561,Part of Protein,,,,,[Zn+2],
,,,ZN:B:562,Part of Protein,,,,,[Zn+2],
,,6F3B,,,,,,,
,,,CJK:A:302,valid,Ki,=,273.3,nM,Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N,
,,,CJK:B:302,valid,Ki,=,273.3,nM,Cc1ccc(cc1)CNC(=O)Nc2cc(ccc2O)S(=O)(=O)N,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,3LXE,,,,,,,
,,,TOR:A:262,valid,Ki,=,250,nM,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,
,,,TOR:B:262,valid,Ki,=,250,nM,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,6XZS,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O5K:A:302,valid,Ki,=,724.7,nM,c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,O5K:B:302,valid,Ki,=,724.7,nM,c1cc(ccc1CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,2IT4,,,,,,,
,,,PPF:A:500,valid,Ki,=,24.1,mM,C(=O)(O)P(=O)(O)O,
,,,ZN:A:561,Part of Protein,,,,,[Zn+2],
,,,ZN:B:562,Part of Protein,,,,,[Zn+2],
,,2NN7,,,,,,,
,,,DMS:A:341,invalid,,,,,CS(=O)C,
,,,M29:A:311,valid,Kd,=,0.3,uM,CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N,
,,,M29:B:312,valid,Kd,=,0.3,uM,CCOC(=O)CCc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,5E2M,,,,,,,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,V14:B:302,valid,Kd,=,59,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:A:302,valid,Kd,=,59,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6XZY,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O5N:A:302,valid,Ki,=,728,nM,c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F,
,,,O5N:B:302,valid,Ki,=,728,nM,c1ccc(c(c1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N)F,
,,6G3V,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,FO9:B:302,valid,Ki,=,922.4,nM,C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N,
,,,FO9:A:302,valid,Ki,=,922.4,nM,C1C(=NC(=S1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6XZO,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O55:B:302,valid,Ki,=,138.4,nM,c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N,
,,,O55:A:302,valid,Ki,=,138.4,nM,c1cc(ccc1NC(=O)NCCNCc2ccc(cc2O)Br)S(=O)(=O)N,
,,4WUQ,,,,,,,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,3UG:B:302,valid,,,,,C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F,
,,,3UG:A:302,valid,,,,,C1CCN(CC1)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6XZX,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O5H:A:302,valid,Ki,=,928.3,nM,c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N,
,,,O5H:B:302,valid,Ki,=,928.3,nM,c1ccc(cc1)CNCCNC(=O)Nc2cccc(c2)S(=O)(=O)N,
,,6XZE,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,O4Z:A:302,valid,Ki,=,24.6,nM,c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,,O4Z:B:302,valid,Ki,=,24.6,nM,c1ccc(c(c1)CNCCNC(=O)Nc2ccc(cc2)S(=O)(=O)N)F,
,,1CZM,,,,,,,
,,,AAS:A:262,valid,,,,,CC(=O)O[Hg]c1cc(ccc1N)S(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,2NN1,,,,,,,
,,,M28:A:311,valid,Kd,=,1.5,uM,c1cc(ccc1CCC(=O)O)S(=O)(=O)N,
,,,M28:B:312,valid,Kd,=,1.5,uM,c1cc(ccc1CCC(=O)O)S(=O)(=O)N,
,,,NA:B:351,Part of Protein,,,,,[Na+],
,,,TRS:A:341,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,4WUP,,,,,,,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,3UF:A:302,valid,Kd,=,0.15,nM,c1cc(ccc1SCCO)S(=O)(=O)N,
,,,3UF:B:302,valid,Kd,=,0.15,nM,c1cc(ccc1SCCO)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2FOY,,,,,,,
,,,B30:A:311,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:A:313,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:A:315,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:B:312,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:B:314,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,B30:B:316,valid,Kd,=,120,nM,c1cc(ccc1C(=O)NCCN2CC(=O)O[Cu]OC(=O)C2)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,5GMM,,,,,,,
,,,949:B:304,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,949:A:303,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,949:A:302,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,949:B:303,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,949:A:304,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,949:B:305,valid,Kd,=,29.1,uM,CC1(C(=O)C(=C(O1)c2ccc(cc2)S(=O)(=O)N)c3cccc(c3)F)C,
,,,ZN:B:302,invalid,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1AZM,,,,,,,
,,,AZM:A:262,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,6EX1,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,N19:B:302,valid,Ki,=,49.4,nM,c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,,N19:A:302,valid,Ki,=,49.4,nM,c1ccc(cc1)C[C@@H]2CN(CCN2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,Family. Representative Entry is ,4X5S,,,,,,,
,,,PE8:A:303,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:B:303,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,AZM:B:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:A:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6R6Y,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,EA3:A:305,valid,Kd,=,0.008,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO,
,,,EA3:D:303,valid,Kd,=,0.008,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO,
,,,EA3:B:305,valid,Kd,=,0.008,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO,
,,,EA3:C:305,valid,Kd,=,0.008,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2)C(=O)NCCO,
,,,DMS:C:304,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4QJ0,,,,,,,
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,WWX:D:305,valid,Kd,=,48,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:A:303,valid,Kd,=,48,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:B:303,valid,Kd,=,48,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWX:C:303,valid,Kd,=,48,nM,c1ccc(cc1)[C@H]([C@H](c2ccccc2)O)Nc3c(c(c(c(c3S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,6T5P,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,VD8:B:302,valid,Kd,=,5.9,uM,CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C,
,,,VD8:A:302,valid,Kd,=,5.9,uM,CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C,
,,,VD8:C:302,valid,Kd,=,5.9,uM,CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C,
,,,VD8:D:302,valid,Kd,=,5.9,uM,CC(C)(C)c1cc(cc(c1)S(=O)(=O)N)C(C)(C)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4QJO,,,,,,,
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,V1F:C:302,valid,Kd,=,40,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,V1F:A:303,valid,Kd,=,40,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,V1F:D:302,valid,Kd,=,40,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,,V1F:B:304,valid,Kd,=,40,nM,c1ccc(cc1)CCS(=O)(=O)c2c(c(c(c(c2F)F)S(=O)(=O)N)F)NCc3ccccc3,
,,4KP8,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,E1G:B:302,valid,Kd,=,3330,nM,c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2,
,,,E1G:D:302,valid,Kd,=,3330,nM,c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2,
,,,E1G:A:302,valid,Kd,=,3330,nM,c1cc(cc(c1)S(=O)(=O)N)C(=O)CSc2ncccn2,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:D:303,invalid,,,,,C(COCCO)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,4KP5,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,E1F:A:302,valid,Kd,=,833,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,E1F:B:302,valid,Kd,=,833,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,E1F:C:302,valid,Kd,=,833,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,,E1F:D:302,valid,Kd,=,833,nM,c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N,
,,6R71,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,JTW:B:302,valid,Kd,=,0.12,nM,c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,JTW:A:303,valid,Kd,=,0.12,nM,c1ccc(cc1)S(=O)(=O)c2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,6G7A,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,EOQ:B:305,valid,Kd,=,0.041,nM,c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,EOQ:C:305,valid,Kd,=,0.041,nM,c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,EOQ:D:307,valid,Kd,=,0.041,nM,c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,EOQ:A:303,valid,Kd,=,0.041,nM,c1ccc(cc1)CNc2cc(c(cc2C(=O)NCCO)S(=O)(=O)N)Cl,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,1JD0,,,,,,,
,,,AZM:A:1400,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:2401,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,4QJW,,,,,,,
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,WWO:D:302,valid,Kd,=,16,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWO:A:302,valid,Kd,=,16,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWO:C:302,valid,Kd,=,16,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,WWO:B:302,valid,Kd,=,16,nM,c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,4HT2,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:D:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,V50:C:302,valid,Kd,=,290,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,,V50:D:302,valid,Kd,=,290,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,,V50:A:302,valid,Kd,=,290,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,,V50:B:302,valid,Kd,=,290,nM,Cc1cc(nc(n1)Sc2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C,
,,5MSB,,,,,,,
,,,V13:A:303,valid,Kd,=,35,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,V13:C:302,valid,Kd,=,35,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,V13:B:305,valid,Kd,=,35,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,V13:D:305,valid,Kd,=,35,nM,C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,4WW8,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,VD9:C:304,valid,Kd,=,0.067,nM,CCCSc1ccc(cc1)S(=O)(=O)N,
,,,VD9:D:304,valid,Kd,=,0.067,nM,CCCSc1ccc(cc1)S(=O)(=O)N,
,,,VD9:A:305,valid,Kd,=,0.067,nM,CCCSc1ccc(cc1)S(=O)(=O)N,
,,,VD9:B:308,valid,Kd,=,0.067,nM,CCCSc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,6G5L,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:D:307,invalid,,,,,C(COCCO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EM5:A:302,valid,Kd,=,0.019,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO,
,,,EM5:D:302,valid,Kd,=,0.019,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO,
,,,EM5:B:302,valid,Kd,=,0.019,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO,
,,,EM5:C:302,valid,Kd,=,0.019,nM,c1c(c(cc(c1S(=O)(=O)N)Cl)NC2CCCCC2)C(=O)NCCO,
,,4Q0L,,,,,,,
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,V14:D:302,valid,Kd,=,20,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:B:302,valid,Kd,=,20,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:A:302,valid,Kd,=,20,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:C:302,valid,Kd,=,20,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,6T5Q,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,MKQ:B:302,valid,Kd,=,0.83,uM,c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3,
,,,MKQ:C:302,valid,Kd,=,0.83,uM,c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3,
,,,MKQ:A:302,valid,Kd,=,0.83,uM,c1ccc(cc1)c2cc(cc(c2)S(=O)(=O)N)c3ccccc3,
,Family. Representative Entry is ,6H36,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FKE:A:302,valid,Ki,=,0.45,nM,c1ccc(cc1)C2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N,
,,6H37,,,,,,,
,,,FKQ:A:302,valid,Ki,=,2.6,nM,c1ccc(cc1)C2(CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6H38,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,FKK:A:302,valid,Ki,=,7.8,nM,c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3ML5,,,,,,,
,,,AZM:A:264,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:263,Part of Protein,,,,,[Zn+2],
,,6SDT,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,L8N:A:302,valid,Ki,=,16.1,nM,c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N,
,Family. Representative Entry is ,6FE1,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,V14:C:302,valid,Kd,=,0.05,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:D:302,valid,Kd,=,0.05,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:A:302,valid,Kd,=,0.05,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,,V14:B:302,valid,Kd,=,0.05,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F,
,,6G9U,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ETK:D:302,valid,Kd,=,0.2,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O,
,,,ETK:A:302,valid,Kd,=,0.2,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O,
,,,ETK:C:302,valid,Kd,=,0.2,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O,
,,,ETK:B:302,valid,Kd,=,0.2,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCC3)F)C(=O)O,
,,6G98,,,,,,,
,,,ER5:D:302,valid,Kd,=,0.16,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O,
,,,ER5:A:302,valid,Kd,=,0.16,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O,
,,,ER5:C:302,valid,Kd,=,0.16,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O,
,,,ER5:B:302,valid,Kd,=,0.16,nM,c1cc(ccc1CCSc2c(c(c(c(c2F)F)S(=O)(=O)N)NC3CCCCCCCCCCC3)F)C(=O)O,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,5FL6,,,,,,,
,,,ZN:B:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1260,Part of Protein,,,,,[Zn+2],
,,,ACY:D:1262,invalid,,,,,CC(=O)O,
,,,ACY:B:1263,invalid,,,,,CC(=O)O,
,,,Y0R:B:269,valid,Ki,=,43.6,nM,Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,Y0R:C:267,valid,Ki,=,43.6,nM,Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,Y0R:D:266,valid,Ki,=,43.6,nM,Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,Y0R:A:268,valid,Ki,=,43.6,nM,Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,GOL:C:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1261,invalid,,,,,C(C(CO)O)O,
,,6FE0,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,V90:C:302,valid,Kd,=,1.1,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,,V90:B:302,valid,Kd,=,1.1,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,,V90:A:302,valid,Kd,=,1.1,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,,V90:D:302,valid,Kd,=,1.1,nM,C1CCCC(CCC1)Nc2c(c(c(c(c2S(=O)(=O)N)F)F)SCCO)F,
,,5FL4,,,,,,,
,,,ZN:C:264,Part of Protein,,,,,[Zn+2],
,,,ZN:D:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:264,Part of Protein,,,,,[Zn+2],
,,,GOL:D:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,ACY:A:1261,invalid,,,,,CC(=O)O,
,,,ACY:C:1260,invalid,,,,,CC(=O)O,
,,,ACY:C:1262,invalid,,,,,CC(=O)O,
,,,ACY:C:1261,invalid,,,,,CC(=O)O,
,,,ACY:B:1260,invalid,,,,,CC(=O)O,
,,,ACY:A:1260,invalid,,,,,CC(=O)O,
,,,9FK:A:269,valid,Ki,=,101,nM,c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N,
,,,9FK:D:266,valid,Ki,=,101,nM,c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N,
,,,9FK:B:268,valid,Ki,=,101,nM,c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N,
,,,9FK:C:267,valid,Ki,=,101,nM,c1ccc2c(c1)cccc2n3cc(nn3)c4ccc(s4)S(=O)(=O)N,
,,3IAI,,,,,,,
,,,AZM:A:263,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:263,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:C:263,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:D:263,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,GLU ALA SER PHE PRO:A:257,Part of Protein,,,,,,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:G:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,Part of Protein,,,,,,
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:C:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,5FL5,,,,,,,
,,,SO4:C:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1260,Part of Protein,,,,,[Zn+2],
,,,82E:D:269,valid,Ki,=,6.4,nM,COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,82E:B:267,valid,Ki,=,6.4,nM,COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,82E:A:266,valid,Ki,=,6.4,nM,COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,82E:C:265,valid,Ki,=,6.4,nM,COc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N,
,,,TRS:B:1267,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1265,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1270,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:C:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1261,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6D2O,,,,,,,
,,,4MZ:A:302,valid,Ki,=,5,uM,Cc1c[nH]cn1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6D2N,,,,,,,
,,,FUS:A:302,valid,Ki,=,10,uM,NS(=O)(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1FLJ,,,,,,,
,,,GSH:A:1183,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1188,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1DMY,,,,,,,
,,,AZM:A:400,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:900,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,ZN:A:280,Part of Protein,,,,,[Zn+2],
,,,ZN:B:280,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2HKF,,,,,,,
,,,LEU PRO GLY GLU GLU ASP LEU PRO GLY:P:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NCC(=O)[O-])CCC1)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C[NH3+])CCC1)CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-],
,Family. Representative Entry is ,3FW3,,,,,,,
,,,ETS:A:302,valid,ic50,=,43,nM,CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C,
,,,ETS:B:303,valid,ic50,=,43,nM,CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C,
,,,GLC:A:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,3F7U,,,,,,,
,,,AG4:A:265,valid,ic50,=,246,nM,COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N,
,,,AG4:B:266,valid,ic50,=,246,nM,COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N,
,,,AG4:C:267,valid,ic50,=,246,nM,COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N,
,,,AG4:D:268,valid,ic50,=,246,nM,COCCCNC(=O)c1cc(cnc1Sc2ccccc2)S(=O)(=O)N,
,,,ZN:A:260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,,ZN:C:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:263,Part of Protein,,,,,[Zn+2],
,,3F7B,,,,,,,
,,,AG5:A:302,valid,ic50,=,64,nM,c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N,
,,,AG5:B:303,valid,ic50,=,64,nM,c1ccc(cc1)CCNC(=O)c2cc(cnc2Sc3ccccc3)S(=O)(=O)N,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5CJF,,,,,,,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,520:A:302,valid,Ki,=,0.26,nM,c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LU3,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,AZM:A:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6IM3,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:308,Part of Protein,,,,,[Ca+2],
,,,AZM:A:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:C:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:E:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:F:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:D:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,PG4:E:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:303,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3UCJ,,,,,,,
,,,AZM:A:229,valid,Ki,=,1,uM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:229,valid,Ki,=,1,uM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,CL:A:232,invalid,,,,,[Cl-],
,,,GOL:A:231,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:230,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:230,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:228,Part of Protein,,,,,[Zn+2],
,,,ZN:B:228,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7COJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,AZM:A:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:D:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:C:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,Family. Representative Entry is ,4G7A,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,AZM:A:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:302,valid,,,,,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
2.7.7.7,,,,,,,,,
,Family. Representative Entry is ,6IPH,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTP:A:503,valid,Kd,=,0.22,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,6IPN,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DGT:A:502,valid,Kd,=,140,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,6IPK,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:A:509,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,8DG:A:502,valid,Kd,=,6.7,uM,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,6IPI,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,DCP:A:503,valid,Kd,=,1.95,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5ZLC,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DGT:A:503,valid,Kd,=,0.95,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,6AEC,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,ATP:A:503,valid,Kd,=,0.71,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6IPJ,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,TTP:A:503,valid,Kd,=,1.62,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,6AK5,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GTP:A:503,valid,Kd,=,0.75,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,6IPM,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,DCP:A:501,valid,Kd,=,206,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,6AEH,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,UTP:A:503,valid,Kd,=,1.77,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6AK6,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CTP:A:503,valid,Kd,=,2.76,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,6IPL,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTP:A:502,valid,Kd,=,153,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1IH7,,,,,,,
,,,GMP:A:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,K:A:2001,invalid,,,,,[K+],
,,,K:A:2002,invalid,,,,,[K+],
,Family. Representative Entry is ,4E1N,,,,,,,
,,,TQX:A:301,valid,ic50,=,19,nM,Cc1c(cc(c2c1CCCO2)F)c3c4ccccc4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C,
,,4CJU,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JNS:B:1214,valid,,,,,c1ccc(cc1)/C=Cc2ccc3c(c2C(=O)O)OCO3,
,,,JNS:A:1217,valid,,,,,c1ccc(cc1)/C=Cc2ccc3c(c2C(=O)O)OCO3,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,6VLM,,,,,,,
,,,R2D:B:301,valid,ic50,=,10,uM,c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl,
,,,R2D:A:301,valid,ic50,=,10,uM,c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl,
,,,R2D:B:302,valid,ic50,=,10,uM,c1ccc2c(c1)nc3n2c(c(s3)CC(=O)O)c4ccc(cc4)Cl,
,,4CEB,,,,,,,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,ZSV:B:1216,valid,Kd,=,1080,uM,COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,ZSV:B:1215,valid,Kd,=,1080,uM,COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,EDO:B:1213,invalid,,,,,C(CO)O,
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,3AVG,,,,,,,
,,,ACY:A:213,invalid,,,,,CC(=O)O,
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,ALA ASP LYS ILE ASP ASN LEU ASP:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])CCCC[NH3+])C(CC)C,
,,,ALA ASP LYS ILE ASP ASN LEU ASP:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])CCCC[NH3+])C(CC)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CIE,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,ACY:B:1216,invalid,,,,,CC(=O)O,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1214,invalid,,,,,CC(=O)O,
,,,Y7N:B:1217,valid,,,,,c1ccc2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,,Y7N:A:1215,valid,,,,,c1ccc2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,4LH5,,,,,,,
,,,LF0:A:301,valid,ic50,=,0.23,uM,Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5OI8,,,,,,,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9VN:A:302,valid,ic50,=,0.21,uM,Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C,
,,3NFA,,,,,,,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:A:215,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ACY ACY:A:1,invalid,,,,,,
,,,CBJ:A:213,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:A:235,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:B:222,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:B:245,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZSZ,,,,,,,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,CL:B:1217,invalid,,,,,[Cl-],
,,,OM2:A:1215,valid,,,,,CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3,
,,,OM2:B:1216,valid,,,,,CC[C@H](C)NC(=O)c1ccccc1C[N@@H+](C)Cc2ccc3c(c2C(=O)O)OCO3,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DMN,,,,,,,
,,,0L9:A:305,valid,ic50,=,2.3,uM,Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC,
,,,ARS:A:301,invalid,,,,,[As],
,,,ARS:A:302,invalid,,,,,[As],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L3V,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,SO4:A:751,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:752,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4CJL,,,,,,,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,9PA:A:1216,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCCN,
,,3AVA,,,,,,,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,ALA LEU LYS ILE ASP ASN LEU ASP:X:1,valid,ic50,=,39.7,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCCC[NH3+])C(CC)C,
,,,ALA LEU LYS ILE ASP ASN LEU ASP:Y:1,valid,ic50,=,39.7,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCCC[NH3+])C(CC)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CF0,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,O5U:A:1213,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN,
,,,O5U:B:1215,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)NC(=O)CCCCCN,
,,4AHT,,,,,,,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,Q6T:A:1216,valid,,,,,c1cc(c2c(c1)OCO2)C(=O)O,
,,,Q6T:B:1218,valid,,,,,c1cc(c2c(c1)OCO2)C(=O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:1215,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:B:1217,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,4O5B,,,,,,,
,,,LF9:A:301,valid,,,,,Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CER,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,VL4:B:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,VL4:A:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4CFA,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WOP:B:1214,valid,,,,,CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4,
,,,WOP:A:1214,valid,,,,,CN(Cc1ccc2c(c1C(=O)O)OCO2)C(=O)N[C@@H](c3ccccc3)C(=O)NCc4ccccc4,
,,4CJT,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1213,invalid,,,,,C(C(CO)O)O,
,,,HLR:A:1215,valid,,,,,c1ccc2c(c1)c(no2)N,
,,,HLR:B:1215,valid,,,,,c1ccc2c(c1)c(no2)N,
,,4CJ3,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,E4F:A:1214,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN,
,,,E4F:B:1216,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCN,
,,4CGF,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1212,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1212,invalid,,,,,CC(=O)[O-],
,,,EDO:B:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,UJ6:B:1219,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,UJ6:A:1216,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CJF,,,,,,,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,DMS:A:1213,invalid,,,,,CS(=O)C,
,,,DMS:B:1212,invalid,,,,,CS(=O)C,
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RVN:B:1217,valid,,,,,c1ccc2c(c1)/C(=Cc3ccc4c(c3C(=O)O)OCO4)/C(=O)N2,
,,,RVN:A:1217,valid,,,,,c1ccc2c(c1)/C(=Cc3ccc4c(c3C(=O)O)OCO4)/C(=O)N2,
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,CL:A:1212,invalid,,,,,[Cl-],
,,5KGW,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7SK:A:304,valid,,,,,CC(C)(C)O[C@@H](c1c(c2ccccc2n1C)c3ccc4c(c3)CCCO4)C(=O)O,
,,3ZSW,,,,,,,
,,,ACY:A:306,invalid,,,,,CC(=O)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZSW:A:308,valid,,,,,CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,,ZSW:B:307,valid,,,,,CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,4O55,,,,,,,
,,,LF9:A:301,valid,ic50,=,5.03,uM,Cc1c(c(c(nc1c2[nH]c3ccc(cc3n2)Cl)C)[C@@H](C(=O)O)OC(C)(C)C)c4ccccc4,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CEO,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,G0T:A:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,G0T:B:1214,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,3NF7,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:A:213,invalid,,,,,CC(=O)O,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:A:215,invalid,,,,,CC(=O)O,
,,,ACY:A:8,invalid,,,,,CC(=O)O,
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,ACY:B:5,invalid,,,,,CC(=O)O,
,,,CIW:A:221,valid,ic50,=,340,uM,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,CIW:B:215,valid,ic50,=,340,uM,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,EDO:A:216,invalid,,,,,C(CO)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4 EDO:A:7,invalid,,,,,,
,,3AO2,,,,,,,
,,,AVX:A:1,valid,Kd,=,0.17,mM,Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N,
,,,AVX:B:1,valid,Kd,=,0.17,mM,Cn1c(cc(n1)c2cc3c(c(c2)Br)OCO3)N,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,DTT:B:755,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTV:A:213,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,MG:A:754,Part of Protein,,,,,[Mg+2],
,,,SO4:A:750,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:753,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:751,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:752,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZT4,,,,,,,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1213,invalid,,,,,CC(=O)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZT2:A:1216,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:A:1217,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:B:1214,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:B:1215,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,4OVL,,,,,,,
,,,ACY:A:306,invalid,,,,,CC(=O)O,
,,,ACY:A:304,invalid,,,,,CC(=O)O,
,,,ACY:A:307,invalid,,,,,CC(=O)O,
,,,ACY:B:307,invalid,,,,,CC(=O)O,
,,,ACY:B:306,invalid,,,,,CC(=O)O,
,,,ACY:A:303,invalid,,,,,CC(=O)O,
,,,ACY:A:305,invalid,,,,,CC(=O)O,
,,,1TD:A:308,valid,,,,,c1ccc2c(c1)/C(=Cc3cccc(c3)C(=O)O)/C(=O)N2,
,,,1TD:B:308,valid,,,,,c1ccc2c(c1)/C(=Cc3cccc(c3)C(=O)O)/C(=O)N2,
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,5KRS,,,,,,,
,,,6XI:A:303,invalid,,,,,c1ccn(c1)c2ccsc2C(=O)O,
,,,6XI:A:302,valid,,,,,c1ccn(c1)c2ccsc2C(=O)O,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,3AVN,,,,,,,
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,ACY:B:214,invalid,,,,,CC(=O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,SER HIS LYS ILE ASP ASN LEU ASP:G:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,SER HIS LYS ILE ASP ASN LEU ASP:H:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CHY,,,,,,,
,,,C5Q:B:1215,valid,,,,,c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,C5Q:A:1218,valid,,,,,c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,C5Q:B:1214,valid,,,,,c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,C5Q:A:1217,valid,,,,,c1ccc2c(c1)c(c[nH]2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,ACY:A:1213,invalid,,,,,CC(=O)O,
,,,ACY:A:1215,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1213,invalid,,,,,CC(=O)O,
,,3ZSR,,,,,,,
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,O3N:A:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,O3N:B:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CGI,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,NZL:B:1214,valid,Kd,=,752,uM,c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,,NZL:A:1215,valid,Kd,=,752,uM,c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,3VQE,,,,,,,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,FMQ:A:1006,valid,,,,,Cc1c(cnn1c2ccc(cc2)F)CO,
,,,FMQ:B:306,valid,,,,,Cc1c(cnn1c2ccc(cc2)F)CO,
,,3AVI,,,,,,,
,,,ACY:A:213,invalid,,,,,CC(=O)O,
,,,ACY:A:3,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ACY:B:4,invalid,,,,,CC(=O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,SER LEU LYS ILE ASP ASN MET ASP:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C)CC(=O)[O-])CC(=O)N)C(=O)NC(C=O)CC(=O)[O-])C,
,,,SER LEU LYS ILE ASP ASN MET ASP:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C)CC(=O)[O-])CC(=O)N)C(=O)NC(C=O)CC(=O)[O-])C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VQP,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DBJ:A:306,valid,,,,,c1cc(c2c(c1)OCCO2)CO,
,,,CL:A:303,invalid,,,,,[Cl-],
,,4CK2,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NVU:B:1217,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,,NVU:A:1215,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,,NVU:B:1216,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,,NVU:A:1216,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,4CJW,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,CBJ:B:1217,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:A:1215,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:A:1216,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CBJ:B:1218,valid,,,,,c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,3VQ7,,,,,,,
,,,SNU:B:304,valid,,,,,c1ccn(c1)c2ccc(cc2)N,
,,,SNU:A:1004,valid,,,,,c1ccn(c1)c2ccc(cc2)N,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6NCJ,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KJJ:A:305,valid,ic50,=,0.024,uM,Cc1c(cc(c2c1CCCO2)F)c3c4c(nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)CCN(C4)C[C@H]5C[C@H]5c6ccccc6,
,,4CES,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1215,invalid,,,,,[Cl-],
,,,NFW:A:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,NFW:B:1214,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4CF2,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3GM:A:1213,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN,
,,,3GM:B:1213,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCN,
,,3AVH,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ALA ARG LYS ILE ASP ASN LEU ASP:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])C(CC)C,
,,,ALA ARG LYS ILE ASP ASN LEU ASP:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])C(CC)C,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZSX,,,,,,,
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1216,invalid,,,,,C(C(CO)O)O,
,,,N44:A:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4,
,,,N44:B:1217,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)[O-])OCO4,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3AVC,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SER ASP LYS ILE ASP ASN LEU ASP:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])CCCC[NH3+])C(CC)C,
,,,SER ASP LYS ILE ASP ASN LEU ASP:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4O0J,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LF8:A:301,valid,ic50,=,13,uM,Cc1ccc(cc1C)c2c(c(c(c(n2)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc(cc3)Cl)C,
,,3AVM,,,,,,,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:A:215,invalid,,,,,CC(=O)O,
,,,ACY:A:3,invalid,,,,,CC(=O)O,
,,,ACY:B:214,invalid,,,,,CC(=O)O,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SER ARG LYS ILE ASP ASN LEU ASP:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)CCCC[NH3+])C(CC)C,
,,,SER ARG LYS ILE ASP ASN LEU ASP:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AHU,,,,,,,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1217,invalid,,,,,[Cl-],
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1218,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1219,invalid,,,,,C(C(CO)O)O,
,,,ICO:A:1217,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)O,
,,,ICO:B:1220,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)O,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KRT,,,,,,,
,,,6W6:A:301,valid,,,,,c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl,
,,,6W6:A:302,valid,,,,,c1cc(n(c1Cl)c2ccsc2C(=O)O)Cl,
,,3AVB,,,,,,,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:B:214,invalid,,,,,CC(=O)O,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SER LEU LYS ILE ASP ASN LEU ASP:X:1,valid,ic50,=,85.2,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C,
,,,SER LEU LYS ILE ASP ASN LEU ASP:Y:1,valid,ic50,=,85.2,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CJR,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,FYM:B:1216,valid,Kd,=,793,uM,CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3,
,,,FYM:A:1215,valid,Kd,=,793,uM,CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc4ccc(cc4)OC)OCO3,
,,4AHS,,,,,,,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,AKH:A:1216,valid,,,,,c1cc2ccoc2c(c1)C(=O)O,
,,,AKH:B:1218,valid,,,,,c1cc2ccoc2c(c1)C(=O)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CIF,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,JDX:B:1217,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC,
,,,JDX:A:1216,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC,
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1216,invalid,,,,,[Cl-],
,,3VQ6,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,BCK:A:303,valid,,,,,Cn1c(c(cn1)CO)c2ccccc2,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZT0,,,,,,,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZT0:A:1213,valid,Kd,=,595,nM,C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4,
,,,ZT0:B:1213,valid,Kd,=,595,nM,C[NH+](Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4,
,,3AO5,,,,,,,
,,,BBY:A:213,valid,Kd,=,5.9,mM,Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3,
,,,BBY:B:1,valid,Kd,=,5.9,mM,Cn1c(cc(n1)N)c2cc3c(c(c2)Br)OCO3,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,SO4:A:750,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:752,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:754,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:755,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:751,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:756,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4NYF,,,,,,,
,,,4BI:A:301,valid,Kd,=,49,nM,Cc1c(c(c2ccccc2n1)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C,
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:B:2002,invalid,,,,,[Cd+2],
,,,CD:B:2001,invalid,,,,,[Cd+2],
,,4CK3,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1212,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K1T:B:1216,valid,Kd,=,268,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN,
,,,K1T:A:1213,valid,Kd,=,268,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)CCCN,
,,4CEE,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1216,invalid,,,,,[Cl-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,B0T:A:1215,valid,,,,,CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,,B0T:B:1217,valid,,,,,CC[C@H](C)NC(=O)c1ccccc1CN(C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,4AH9,,,,,,,
,,,0MB:A:218,valid,,,,,c1ccc(cc1)c2nc(sn2)N3CCCNCC3,
,,,0MB:B:218,valid,,,,,c1ccc(cc1)c2nc(sn2)N3CCCNCC3,
,,,CL:A:1223,invalid,,,,,[Cl-],
,,,CL:A:1224,invalid,,,,,[Cl-],
,,,CL:A:1225,invalid,,,,,[Cl-],
,,,CL:B:1218,invalid,,,,,[Cl-],
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1219,invalid,,,,,C(CO)O,
,,,EDO:A:1220,invalid,,,,,C(CO)O,
,,,EDO:A:1221,invalid,,,,,C(CO)O,
,,,EDO:A:1222,invalid,,,,,C(CO)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,GOL:A:1226,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1219,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:1227,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:B:1220,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,4TSX,,,,,,,
,,,LF0:A:301,valid,Kd,=,10.3,uM,Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CJQ,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VXO:A:1214,valid,Kd,=,256,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4,
,,,VXO:B:1216,valid,Kd,=,256,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]c4c3cccc4,
,,5OI5,,,,,,,
,,,9VK:A:501,valid,ic50,=,0.19,uM,Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,1HYZ,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TTO:A:304,valid,ic50,=,380,uM,c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O,
,,4CF1,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,IY7:A:1215,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN,
,,,IY7:B:1217,valid,,,,,c1ccc2c(c1)C[C@@H]([C@@H]2Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O)NC(=O)CCCCN,
,,4CE9,,,,,,,
,,,GOL:A:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1213,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,O3N:B:1214,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,O3N:A:1214,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,3AO4,,,,,,,
,,,833:A:1,valid,Kd,=,8.5,mM,Cn1c(cc(n1)c2ccc3c(c2)OCO3)N,
,,,833:B:1,valid,Kd,=,8.5,mM,Cn1c(cc(n1)c2ccc3c(c2)OCO3)N,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,SO4:A:752,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:753,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:751,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZT2,,,,,,,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZT2:A:1216,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:A:1217,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:B:1214,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,,ZT2:B:1215,valid,Kd,=,1375,uM,c1ccc2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O)OCO4,
,,4CFB,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OM3:A:1217,valid,,,,,C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,OM3:B:1214,valid,,,,,C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,3VQD,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,MOK:A:304,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CHP,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMV:A:1216,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:B:1216,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:A:1217,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:B:1217,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,3ZT1,,,,,,,
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,OM1:A:1215,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4,
,,,OM1:B:1216,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VQ9,,,,,,,
,,,FBB:A:301,valid,,,,,c1cc2c(cc1F)sc(n2)N,
,,3VQC,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,MPK:A:304,valid,,,,,Cc1c(c(no1)c2ccccc2)CO,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZSV,,,,,,,
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,,EDO:B:1213,invalid,,,,,C(CO)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZSV:A:1215,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,ZSV:B:1215,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[N@@H+](CC=C)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4CJP,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,4D2:A:1215,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3,
,,,4D2:B:1214,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3cccnc3,
,,4CGG,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K5Q:B:1218,valid,,,,,c1ccc2c(c1)C/C(=NO)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,K5Q:B:1217,valid,,,,,c1ccc2c(c1)C/C(=NO)/C2=C/c3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,CL:B:1214,invalid,,,,,[Cl-],
,,6NUJ,,,,,,,
,,,L3D:A:300,valid,,,,,Cc1c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H](C(=O)O)OC(C)(C)C,
,,4CFC,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1215,invalid,,,,,[Cl-],
,,,7NV:B:1216,valid,,,,,CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3,
,,,7NV:A:1216,valid,,,,,CCCCNC(=O)[C@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3,
,,4CEF,,,,,,,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,D0T:A:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,D0T:B:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCc2ccccc2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,3AO1,,,,,,,
,,,BZX:A:213,valid,Kd,=,5.5,mM,c1cc2c(cc1O)OCO2,
,,,BZX:A:214,valid,Kd,=,5.5,mM,c1cc2c(cc1O)OCO2,
,,,BZX:B:1,valid,Kd,=,5.5,mM,c1cc2c(cc1O)OCO2,
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:B:1001,invalid,,,,,[Cd+2],
,,,CD:B:1002,invalid,,,,,[Cd+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZT3,,,,,,,
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:A:1213,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1213,invalid,,,,,CC(=O)O,
,,,ACY:B:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZT4:A:1216,valid,Kd,=,1435,uM,c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O,
,,,ZT4:B:1216,valid,Kd,=,1435,uM,c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OCO4)O,
,,4CHO,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1219,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1217,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,U2Z:B:1218,valid,,,,,Cc1cc(nn1c2ccccc2CN)CO,
,,,U2Z:A:1220,valid,,,,,Cc1cc(nn1c2ccccc2CN)CO,
,,3NF9,,,,,,,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:A:215,invalid,,,,,CC(=O)O,
,,,ACY:B:214,invalid,,,,,CC(=O)O,
,,,ACY:B:215,invalid,,,,,CC(=O)O,
,,,ACY:B:216,invalid,,,,,CC(=O)O,
,,,ACY:B:5,invalid,,,,,CC(=O)O,
,,,CD9:A:220,valid,ic50,=,290,uM,c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,CD9:B:213,valid,ic50,=,290,uM,c1cc2c(cc1Cl)N(C(=O)C2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,SO4:A:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HYV,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TTA:A:304,valid,ic50,>,5,mM,c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4,
,,3ZSQ,,,,,,,
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:A:1213,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,GOL:B:1212,invalid,,,,,C(C(CO)O)O,
,,,O4N:A:1215,valid,Kd,=,10.9,uM,CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4,
,,,O4N:B:1213,valid,Kd,=,10.9,uM,CCC[C@@H](c1ccc(cc1)OC)NC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CGD,,,,,,,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1213,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,8P3:B:1214,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O,
,,,8P3:A:1216,valid,,,,,c1ccc2c(c1)CC(=O)N2Cc3ccccc3C(=O)O,
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,4CF9,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5EY:A:1214,valid,,,,,c1ccc2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O,
,,,5EY:B:1214,valid,,,,,c1ccc2c(c1)C[C@H](/C2=C/c3ccc4c(c3C(=O)O)O[C@@H](CO4)CCC(=O)O)O,
,,,EE2:A:1215,valid,,,,,c1ccc2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O,
,,,EE2:B:1215,valid,,,,,c1ccc2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O)O)OC[C@H](O4)CCC(=O)O)O,
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,3AVK,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SER LEU LYS ILE ASP ASN GLU ASP:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)[O-])CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C,
,,,SER LEU LYS ILE ASP ASN GLU ASP:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)[O-])CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CEC,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,2SS:B:1216,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,2SS:A:1216,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4CHQ,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CWU:B:1216,valid,,,,,c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O,
,,,CWU:A:1217,valid,,,,,c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)O,
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,5HRR,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAC:A:301,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,65P:A:307,valid,,,,,Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,4CGJ,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,NZL:A:1216,valid,,,,,c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,,NZL:B:1214,valid,,,,,c1ccc2c(c1)C[C@@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCCCN,
,,3VQB,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FBG:A:304,valid,,,,,c1c(cc(c2c1COCO2)C(=O)O)F,
,,4GVM,,,,,,,
,,,ARS:A:302,invalid,,,,,[As],
,,,ARS:A:301,invalid,,,,,[As],
,,,LF2:A:303,valid,ic50,=,1.49,uM,Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC(C)(C)C,
,,3VQQ,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,BTE:A:306,valid,,,,,c1cc(c2c(c1)nsn2)N,
,,,BTE:A:305,valid,,,,,c1cc(c2c(c1)nsn2)N,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3AVJ,,,,,,,
,,,ACY:A:3,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ACY:B:214,invalid,,,,,CC(=O)O,
,,,ALA LEU LYS ILE ASP ASN MET ASP:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCCC[NH3+])C(CC)C)CC(=O)[O-])CC(=O)N)C(=O)NC(C=O)CC(=O)[O-])C,
,,,ALA LEU LYS ILE ASP ASN MET ASP:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCCC[NH3+])C(CC)C)CC(=O)[O-])CC(=O)N)C(=O)NC(C=O)CC(=O)[O-])C,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CFD,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8Y:B:1215,valid,,,,,CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3,
,,,S8Y:A:1217,valid,,,,,CC(C)(C)NC(=O)[C@@H](c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,4JLH,,,,,,,
,,,0L9:A:301,valid,ic50,=,15.6,uM,Cc1c(c(c2cc(ccc2n1)Br)c3ccc(cc3)Cl)[C@@H](C(=O)O)OC,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CJK,,,,,,,
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1216,invalid,,,,,[Cl-],
,,,H39:A:1215,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3,
,,,H39:B:1217,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3cc[nH]c3,
,,4CF8,,,,,,,
,,,V7H:A:1217,valid,,,,,c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,V7H:B:1218,valid,,,,,c1ccc(cc1)CNC(=O)c2ccccc2CNCc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:1212,invalid,,,,,CC(=O)O,
,,,ACY:A:1213,invalid,,,,,CC(=O)O,
,,,ACY:B:1212,invalid,,,,,CC(=O)O,
,,,ACY:B:1214,invalid,,,,,CC(=O)O,
,,,ACY:B:1213,invalid,,,,,CC(=O)O,
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1215,invalid,,,,,[Cl-],
,,,CL:B:1216,invalid,,,,,[Cl-],
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1217,invalid,,,,,C(C(CO)O)O,
,,4CK1,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1217,invalid,,,,,[Cl-],
,,,OM1:B:1218,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4,
,,,OM1:A:1216,valid,,,,,COc1ccc(cc1)CNC(=O)c2ccccc2C[NH2+]Cc3ccc4c(c3C(=O)O)OCO4,
,,4CHN,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1214,invalid,,,,,C(CO)O,
,,,EDO:A:1213,invalid,,,,,C(CO)O,
,,,ACT:A:1212,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ONZ:A:1217,valid,,,,,c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O,
,,,ONZ:B:1215,valid,,,,,c1cc(c2c(c1)OCO2)C(=O)NCC(=O)O,
,,4OJR,,,,,,,
,,,CAC:A:303,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,2SQ:A:301,valid,,,,,Cc1c(cc(c2c1CCCO2)F)C3=C(N(C(=O)c4c3cccc4)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ID1,,,,,,,
,,,LF0:A:301,valid,,,,,Cc1c(c(c2ccccc2n1)c3ccc4c(c3)CCCO4)[C@@H](C(=O)O)OC(C)(C)C,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6UM8,,,,,,,
,,,QCG:A:305,valid,Ki,=,0.17,uM,Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,QCG:B:303,valid,Ki,=,0.17,uM,Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:B:301,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:301,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,3VQ8,,,,,,,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,BCU:B:306,valid,,,,,c1ccc2c(c1)C[C@@H](CO2)CO,
,,,BCU:A:1006,valid,,,,,c1ccc2c(c1)C[C@@H](CO2)CO,
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,6LMI,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,EJ9:A:304,valid,,,,,Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)CCCO4)C,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,3OVN,,,,,,,
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:B:1001,invalid,,,,,[Cd+2],
,,,CD:B:1002,invalid,,,,,[Cd+2],
,,,MPV:A:213,valid,Kd,=,2.8,mM,Cn1c(cc(n1)c2cccs2)N,
,,,MPV:B:213,valid,Kd,=,2.8,mM,Cn1c(cc(n1)c2cccs2)N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3VQ4,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,0NX:A:305,valid,,,,,c1ccc(cc1)c2cc(no2)CO,
,,,0NX:B:303,valid,,,,,c1ccc(cc1)c2cc(no2)CO,
,,,0NX:A:304,valid,,,,,c1ccc(cc1)c2cc(no2)CO,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CHZ,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1218,invalid,,,,,[Cl-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1217,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1219,invalid,,,,,C(CO)O,
,,,EDO:B:1220,invalid,,,,,C(CO)O,
,,,EDO:B:1219,invalid,,,,,C(CO)O,
,,,H75:A:1220,valid,,,,,c1cc(ccc1N2C=C3CCCCN3C2=O)Br,
,,1QS4,,,,,,,
,,,100:A:1004,valid,ic50,=,2.3,uM,c1cc2c(cc1Cl)c(c[nH]2)C(=O)/C=C(/c3n[nH]nn3)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,4CIG,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,X0P:A:1217,valid,Kd,=,214,uM,CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC,
,,,X0P:B:1217,valid,Kd,=,214,uM,CN(Cc1cccc(c1C(=O)O)OC)Cc2cc3ccccc3cc2C(=O)NCc4ccc(cc4)OC,
,,6EB1,,,,,,,
,,,J3M:A:301,valid,ic50,=,4.65,uM,CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5ccccc5)C(=O)O,
,,5HRS,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAC:A:301,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,65P:A:306,valid,,,,,Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,3AV9,,,,,,,
,,,ACY:A:213,invalid,,,,,CC(=O)O,
,,,ACY:A:5,invalid,,,,,CC(=O)O,
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,ACY:B:4,invalid,,,,,CC(=O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,SER ALA LYS ILE ASP ASN LEU ASP:X:1,valid,ic50,=,435,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C)CCCC[NH3+])C(CC)C,
,,,SER ALA LYS ILE ASP ASN LEU ASP:Y:1,valid,ic50,=,435,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C)CCCC[NH3+])C(CC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CED,,,,,,,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,9NS:B:1216,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,9NS:B:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCc2ccco2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4CEZ,,,,,,,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,O3N:A:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,O3N:B:1215,valid,,,,,C=CCN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,4AHR,,,,,,,
,,,ACY:A:1215,invalid,,,,,CC(=O)O,
,,,ACY:A:1216,invalid,,,,,CC(=O)O,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,GOL:A:1217,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1216,invalid,,,,,C(C(CO)O)O,
,,,I2E:A:1218,valid,,,,,c1cc2c(cc1CCC(=O)O)OCO2,
,,,I2E:B:1217,valid,,,,,c1cc2c(cc1CCC(=O)O)OCO2,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZSO,,,,,,,
,,,ACY:A:1215,invalid,,,,,CC(=O)O,
,,,ACY:A:1216,invalid,,,,,CC(=O)O,
,,,ACY:A:1217,invalid,,,,,CC(=O)O,
,,,ACY:B:1215,invalid,,,,,CC(=O)O,
,,,O2N:A:1219,valid,Kd,=,7.6,uM,COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5,
,,,O2N:B:1217,valid,Kd,=,7.6,uM,COc1ccc(cc1)C(c2ccc(cc2)OC)NC(=O)c3ccccc3CN(CC=C)Cc4ccc5c(c4C(=O)O)OCO5,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4 NA:A:1214,invalid,,,,,,
,,,SO4 NA:B:1214,invalid,,,,,,
,,5HRP,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:301,invalid,,,,,C[As](=O)(C)[O-],
,,,65P:A:310,valid,,,,,Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F,
,,3AO3,,,,,,,
,,,BMC:A:1,valid,,,,,Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O,
,,,BMC:B:1,valid,,,,,Cn1c(cc(n1)c2ccc3c(c2)OCO3)C(=O)O,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:1003,invalid,,,,,[Cd+2],
,,,CD:B:1004,invalid,,,,,[Cd+2],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OI2,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,9VN:A:305,valid,ic50,=,0.17,uM,Cc1c(c(c(s1)c2ccncc2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CJ4,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S3G:B:1215,valid,Kd,=,432,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3,
,,,S3G:A:1217,valid,Kd,=,432,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,4CJS,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,L0Y:B:1217,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4,
,,,L0Y:A:1217,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,CL:B:1216,invalid,,,,,[Cl-],
,,3ZCM,,,,,,,
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1214,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,PX3:A:1214,valid,Kd,=,519,uM,COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4,
,,,PX3:B:1216,valid,Kd,=,519,uM,COc1ccc(cc1)CNC(=O)c2ccccc2CN(CC=C)Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NF6,,,,,,,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ACY:B:215,invalid,,,,,CC(=O)O,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:B:213,invalid,,,,,C(CO)O,
,,,EDO:B:214,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,IMV:A:215,valid,ic50,=,295,uM,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:A:230,valid,ic50,=,295,uM,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:B:216,valid,ic50,=,295,uM,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,IMV:B:231,valid,ic50,=,295,uM,c1ccc2c(c1)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CEA,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZSW:B:1216,valid,,,,,CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,,ZSW:A:1217,valid,,,,,CC[C@@H](C)NC(=O)c1ccccc1C[N@@H+](CC=C)Cc2ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1216,invalid,,,,,C(C(CO)O)O,
,,,ACY:A:1215,invalid,,,,,CC(=O)O,
,,4CJE,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,Q31:A:1213,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3,
,,,Q31:B:1216,valid,,,,,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)Cc3c[nH]cn3,
,,4CJ5,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,4VW:B:1214,valid,Kd,=,200,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N,
,,,4VW:A:1216,valid,Kd,=,200,uM,CC(C)C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3ccc(cc3)N,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,3AVL,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:A:214,invalid,,,,,CC(=O)O,
,,,ALA THR LYS ILE ASP ASN LEU ASP:E:1,valid,ic50,=,65.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(CC)C)CCCC[NH3+])C(NC(=O)C([NH3+])C)C(O)C,
,,,ALA THR LYS ILE ASP ASN LEU ASP:F:1,valid,ic50,=,65.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(CC)C)CCCC[NH3+])C(NC(=O)C([NH3+])C)C(O)C,
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CGH,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LOZ:B:1213,valid,,,,,c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN,
,,,LOZ:A:1216,valid,,,,,c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)CCCN,
,,,ACY:A:1215,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,6LMQ,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,940:A:304,valid,,,,,Cc1ccc(cc1C)c2c(c(c(c(c2NS(=O)(=O)C)C)[C@@H](C(=O)O)OC(C)(C)C)c3ccc4c(c3)NCCO4)C,
,,3NF8,,,,,,,
,,,ACY:A:1,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,CDQ:A:225,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CDQ:A:247,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CDQ:A:267,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CDQ:A:277,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CDQ:B:235,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,CDQ:B:257,valid,,,,,c1cc2c(cc1Cl)CC(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VQA,,,,,,,
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MWP:B:303,valid,,,,,c1cc2c(cc1N)S(=O)(=O)C=C2,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6EB2,,,,,,,
,,,J3P:A:301,valid,ic50,=,0.48,uM,CC(C)(C)O[C@@H](c1c2ccccc2c(nc1c3ccc4c(c3)CCCO4)c5cnn(c5)Cc6ccccc6)C(=O)O,
,,4CJV,,,,,,,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1211,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IV2:B:1215,valid,,,,,Cc1c(ccc2c1nc(s2)N)Cl,
,,,IV2:A:1212,valid,,,,,Cc1c(ccc2c1nc(s2)N)Cl,
,,,ACT:B:1211,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1212,invalid,,,,,CC(=O)[O-],
,,3AVF,,,,,,,
,,,ACY:A:210,invalid,,,,,CC(=O)O,
,,,ACY:A:211,invalid,,,,,CC(=O)O,
,,,ACY:B:210,invalid,,,,,CC(=O)O,
,,,ASP LEU LYS ILE ASP ASN LEU ASP:D:1,valid,ic50,=,295,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(C)C)CCCC[NH3+])C(CC)C,
,,,ASP LEU LYS ILE ASP ASN LEU ASP:F:1,valid,ic50,=,295,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(=O)N)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(C)C)CCCC[NH3+])C(CC)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OIA,,,,,,,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9VK:A:303,valid,ic50,=,0.17,uM,Cc1c(c(c(s1)c2ccccn2)C3=CCC(CC3)(C)C)[C@@H](C(=O)O)OC(C)(C)C,
,,3ZSY,,,,,,,
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1213,invalid,,,,,CC(=O)[O-],
,,,OM3:A:1214,valid,,,,,C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,OM3:B:1214,valid,,,,,C[N@H+](Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OCO4,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CEQ,,,,,,,
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QCH:B:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,QCH:A:1215,valid,,,,,CN(Cc1ccccc1C(=O)NCC2CCCCC2)Cc3ccc4c(c3C(=O)O)OC[C@@H](O4)CCC(=O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,ACT:A:1213,invalid,,,,,CC(=O)[O-],
,,,DMS:B:1213,invalid,,,,,CS(=O)C,
,,3VQ5,,,,,,,
,,,MMJ:B:307,valid,,,,,Cc1c(sc(n1)c2ccccc2)CNC,
,,,MMJ:A:1007,valid,,,,,Cc1c(sc(n1)c2ccccc2)CNC,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,4AHV,,,,,,,
,,,ACY:A:1213,invalid,,,,,CC(=O)O,
,,,ACY:A:1214,invalid,,,,,CC(=O)O,
,,,EDO:A:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:B:1213,invalid,,,,,C(CO)O,
,,,EDO:B:1214,invalid,,,,,C(CO)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:1218,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:B:1215,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,Z5P:A:1219,valid,,,,,c1ccc(c(c1)CN)n2cccn2,
,,,Z5P:B:1216,valid,,,,,c1ccc(c(c1)CN)n2cccn2,
,Family. Representative Entry is ,4K3P,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,ACE GLN LEU ALA LEU PHE:E:-1,valid,Kd,=,1.6,uM,,
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,PGE:B:405,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,4MJR,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,0LA:A:404,valid,Ki,=,283,uM,C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,4N94,,,,,,,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,invalid,,,,,[Ca+2],
,,,2HO:A:401,valid,,,,,c1cc(c(cc1C(=O)N)F)F,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,4N98,,,,,,,
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,4FC:A:401,valid,Ki,=,280,uM,c1cc(ccc1c2ccc(cc2)F)C(=O)O,
,,4N95,,,,,,,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,2HQ:A:401,valid,,,,,c1cc2c(cc1Cl)C(=O)C(=O)N2,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,4MJQ,,,,,,,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,PG4:B:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:A:404,invalid,,,,,[Ca+2],
,,,27R:A:401,valid,Ki,=,193,uM,c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:401,invalid,,,,,C(COCCOCCO)O,
,,3D1E,,,,,,,
,,,THR LEU MET THR GLY GLN LEU GLY LEU PHE:P:505,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CN)CCC(=O)N)CC(C)C)CC(C)C)Cc1ccccc1,
,,6FVM,,,,,,,
,,,ACE GLN ALC ASP LEU PHE:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,ACE GLN ALC ASP LEU PHE:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,1PE:B:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,3D1G,,,,,,,
,,,322:A:501,valid,Ki,~,10,uM,CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O,
,,,322:B:502,valid,Ki,~,10,uM,CCOc1cc(c(c(c1O)Br)Br)C[C@@H]2C(=O)N(C(=S)S2)CC(=O)O,
,,4K3O,,,,,,,
,,,PEG:B:410,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:A:404,invalid,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,PGE:B:407,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:409,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACE GLN ALA ASP LEU PHE:E:-1,valid,Kd,=,36.7,uM,,
,,4K3L,,,,,,,
,,,CA:B:413,invalid,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:B:412,invalid,,,,,[Ca+2],
,,,CA:A:404,invalid,,,,,[Ca+2],
,,,CA:B:417,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:411,invalid,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,PEG:B:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,ACE LEU PHE:B:400,valid,ic50,=,1.1,mM,O=C([O-])C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1,
,,,ACE LEU PHE:A:400,valid,ic50,=,1.1,mM,O=C([O-])C(NC(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,CL:B:416,invalid,,,,,[Cl-],
,,,PGE:B:409,invalid,,,,,C(COCCOCCO)O,
,,4N9A,,,,,,,
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,2J2:A:404,valid,Ki,=,64,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@@H](CCC3)C(=O)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,4K3K,,,,,,,
,,,PG4:B:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,SFK:A:407,valid,ic50,=,4.44,mM,CC(C)CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O,
,,3D1F,,,,,,,
,,,PEG:A:367,invalid,,,,,C(COCCO)O,
,,,PEG:A:368,invalid,,,,,C(COCCO)O,
,,,SER GLU GLN VAL GLU LEU GLU PHE ASP 323:P:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1cc(C(=O)[O-])c(C=2c3c(OC=4C=2C=CC(=[N+](C)C)C=4)cc(N(C)C)cc3)cc1)CO)CCC(=O)[O-])CCC(=O)N)C(C)C)CCC(=O)[O-])CC(C)C)CCC(=O)[O-])Cc1ccccc1)CC(=O)[O-],
,,,SER GLU GLN VAL GLU LEU GLU PHE ASP 323:Q:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1cc(C(=O)[O-])c(C=2c3c(OC=4C=2C=CC(=[N+](C)C)C=4)cc(N(C)C)cc3)cc1)CO)CCC(=O)[O-])CCC(=O)N)C(C)C)CCC(=O)[O-])CC(C)C)CCC(=O)[O-])Cc1ccccc1)CC(=O)[O-],
,,4K3M,,,,,,,
,,,ALA LEU ASP LEU PHE:E:2,valid,Kd,=,281.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:406,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,4K3R,,,,,,,
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,ACE GLN LEU ASP LEU ALA:E:-1,valid,Kd,=,259.1,uM,,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,4K3Q,,,,,,,
,,,ACE GLN LEU ASP ALA PHE:E:-1,valid,Kd,=,115.1,uM,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,CA:B:404,invalid,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,PGE:B:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:407,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,4N99,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:414,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:414,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:416,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:413,invalid,,,,,C(COCCO)O,
,,,PEG:A:413,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:B:415,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:418,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:412,invalid,,,,,C(COCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:416,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:412,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:415,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:A:411,invalid,,,,,[Ca+2],
,,,CA:B:417,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:A:417,invalid,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,2J1:A:401,valid,Ki,=,216,uM,c1c2c(cc(c1Cl)C(=O)O)[nH]c3c2CCCC3,
,,4MJP,,,,,,,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,27O:B:403,valid,Ki,=,131,uM,C[C@H](c1ccc(c2c1cccc2)C3CCCCC3)C(=O)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:404,invalid,,,,,C(COCCOCCO)O,
,,6FVL,,,,,,,
,,,ACE GLN ALC ASP LEU PHE:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,ACE GLN ALC ASP LEU PHE:H:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,ACE GLN ALC ASP LEU PHE:J:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,ACE GLN ALC ASP LEU PHE:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC1CCCCC1)CC(=O)[O-])CC(C)C)Cc1ccccc1,
,,,1PE:B:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:101,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:101,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:I:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,4N96,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,6NI:A:401,valid,,,,,c1cc2cn[nH]c2cc1[N+](=O)[O-],
,,4N97,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,2HU:A:401,valid,,,,,c1cc2c(cc[nH]2)cc1[N+](=O)[O-],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3SXU,,,,,,,
,,,TRP ASP ILE PRO PHE:C:174,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CC(=O)[O-])C(CC)C)CCC1)Cc1ccccc1,
,Family. Representative Entry is ,3B0X,,,,,,,
,,,CA:A:578,Part of Protein,,,,,[Ca+2],
,,,CA:A:579,Part of Protein,,,,,[Ca+2],
,,,CA:A:580,Part of Protein,,,,,[Ca+2],
,,,CA:A:581,Part of Protein,,,,,[Ca+2],
,,,CL:A:582,invalid,,,,,[Cl-],
,,,DGT:A:583,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,ZN:A:576,Part of Protein,,,,,[Zn+2],
,,,ZN:A:577,Part of Protein,,,,,[Zn+2],
,,3B0Y,,,,,,,
,,,CA:A:578,Part of Protein,,,,,[Ca+2],
,,,CA:A:579,Part of Protein,,,,,[Ca+2],
,,,CA:A:580,Part of Protein,,,,,[Ca+2],
,,,CA:A:581,Part of Protein,,,,,[Ca+2],
,,,CL:A:582,invalid,,,,,[Cl-],
,,,DGT:A:576,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,ZN:A:577,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KRP,,,,,,,
,,,DT  DT  PST:B:1001,valid,,,,,,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:320,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,1KSP,,,,,,,
,,,DT  DT  PST:B:1001,valid,,,,,,
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:320,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1J54,,,,,,,
,,,EDO:A:4000,invalid,,,,,C(CO)O,
,,,EDO:A:5000,invalid,,,,,C(CO)O,
,,,EDO:A:6000,invalid,,,,,C(CO)O,
,,,MN:A:3000,Part of Protein,,,,,[Mn+2],
,,,MN:A:3001,Part of Protein,,,,,[Mn+2],
,,,TMP:A:2000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1J53,,,,,,,
,,,EDO:A:4000,invalid,,,,,C(CO)O,
,,,EDO:A:5000,invalid,,,,,C(CO)O,
,,,MN:A:3000,Part of Protein,,,,,[Mn+2],
,,,MN:A:3001,Part of Protein,,,,,[Mn+2],
,,,TMP:A:2000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:2100,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,2IDO,,,,,,,
,,,EDO:C:1000,invalid,,,,,C(CO)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:C:1003,Part of Protein,,,,,[Mn+2],
,,,MN:C:1004,Part of Protein,,,,,[Mn+2],
,,,MN:C:1005,Part of Protein,,,,,[Mn+2],
,,,TMP:A:2001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:2002,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,1XI1,,,,,,,
,,,DT  DT  DT  DT  DT:C:3,valid,,,,,,
,,,DT  DT  DT  DT  DT:D:3,valid,,,,,,
,,,MG:A:576,Part of Protein,,,,,[Mg+2],
,,,MG:B:576,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6AJP,,,,,,,
,,,DU:A:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,SF4:A:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6IOB,,,,,,,
,,,URA:A:301,valid,,,,,C1=CNC(=O)NC1=O,
,,,SF4:A:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6AJR,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,URA:A:302,valid,,,,,C1=CNC(=O)NC1=O,
,,6IOA,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:A:302,valid,,,,,C1=CNC(=O)NC1=O,
,,6IOC,,,,,,,
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,URA:A:302,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,4TSZ,,,,,,,
,,,ACE GLN ALC ASP LEU ZCL:5:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:0:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:S:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:R:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:U:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:Q:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:V:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:T:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:3:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:X:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:Y:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:4:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:1:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:6:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:2:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,,,ACE GLN ALC ASP LEU ZCL:Z:467,valid,Kd,=,99,nM,Clc1c(Cl)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC2CCCCC2)CC(=O)[O-])CC(C)C)C(=O)[O-])c1,
,Family. Representative Entry is ,6C8C,,,,,,,
,,,EQ7:B:201,valid,ic50,=,0.78,uM,CC(C)CC(=O)C1=C(Nc2c(ccc(c2C1=O)N(=O)=O)Cl)Nc3ccc(cc3Cl)Cl,
,Family. Representative Entry is ,3QSB,,,,,,,
,,,743:A:367,valid,ic50,=,8.3,uM,CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C,
,,,743:B:367,valid,ic50,=,8.3,uM,CCC/C(=N/OCc1ccc(cc1)c2ccc(cc2)F)/[C@@H]3C(=O)CC([C@@H](C3=O)C#N)(C)C,
,Family. Representative Entry is ,2J6U,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,DGT:P:1016,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,7B08,,,,,,,
,,,TTP:A:801,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,PGE:A:802,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5KTQ,,,,,,,
,,,DCP:A:901,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2IMW,,,,,,,
,,,CA:P:406,Part of Protein,,,,,[Ca+2],
,,,CA:P:407,Part of Protein,,,,,[Ca+2],
,,,DDS:P:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)N,
,,,EDO:P:501,invalid,,,,,C(CO)O,
,,,EDO:P:502,invalid,,,,,C(CO)O,
,,,EDO:P:503,invalid,,,,,C(CO)O,
,,,EDO:P:504,invalid,,,,,C(CO)O,
,,,EDO:P:505,invalid,,,,,C(CO)O,
,,,EDO:P:506,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5IHE,,,,,,,
,,,ZN:B:703,Part of Protein,,,,,[Zn+2],
,,,ZN:A:703,Part of Protein,,,,,[Zn+2],
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,ACT:B:705,invalid,,,,,CC(=O)[O-],
,,,D5M:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,D5M:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,CA:A:706,invalid,,,,,[Ca+2],
,,,CA:B:704,Part of Protein,,,,,[Ca+2],
,,,CA:A:704,invalid,,,,,[Ca+2],
,,,FE:A:702,Part of Protein,,,,,[Fe+3],
,,,FE:B:702,Part of Protein,,,,,[Fe+3],
,,,EDO:B:706,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2J6S,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,DTP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,1NJF,,,,,,,
,,,ADP:C:302,valid,Kd,=,1.03,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AGS:A:402,valid,Kd,=,0.62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:302,valid,Kd,=,0.62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:302,valid,Kd,=,0.62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
2.7.4.21,,,,,,,,,
,Family. Representative Entry is ,4NZN,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,2OU:A:402,valid,,,,,c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5BYB,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,4WY:A:402,valid,,,,,C(C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4HN2,,,,,,,
,,,0EJ:A:402,valid,,,,,C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,3T9F,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,I8P:A:501,valid,,,,,[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,5BYA,,,,,,,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:416,invalid,,,,,CC(=O)[O-],
,,,ACT:A:415,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,4WZ:A:402,valid,,,,,C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,4NZO,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,2OV:A:402,valid,,,,,c1ccc(cc1)COC2[C@@H]([C@H](C([C@H]([C@@H]2OP(=O)(O)O)OP(=O)(O)O)OCc3ccccc3)OP(=O)(O)O)OP(=O)(O)O,
,,3T9C,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,3T9D,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,I7P:A:501,valid,,,,,[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,5DGH,,,,,,,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,5A3:A:402,valid,,,,,C(P(=O)(O)O)P(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,6N5C,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,KDJ:A:406,valid,,,,,[C@H]1([C@H](C([C@H]([C@@H](C1NC(=O)C(F)(F)P(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,3T54,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CD:A:605,invalid,,,,,[Cd+2],
,,,CD:A:606,invalid,,,,,[Cd+2],
,,3T9A,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CD:A:605,invalid,,,,,[Cd+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,3T7A,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3,invalid,,,,,CC(=O)[O-],
,,,ACT:A:7,invalid,,,,,CC(=O)[O-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,4Q4D,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,2YN:A:402,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O,
,,3T99,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,3T9B,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,4Q4C,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,I8P:A:402,valid,,,,,[C@@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5DGI,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,5A2:A:402,valid,,,,,C(P(=O)(O)O)P(=O)(O)O[C@@H]1[C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NZM,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,0EJ:A:402,valid,,,,,C(C(=O)OC1[C@@H]([C@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)P(=O)(O)O,
,,3T9E,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I7P MGF:A:501,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OC1C(OP(=O)([O-])[O-])C(OP(=O)(O[Mg-2](F)(F)F)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C1OP(=O)([O-])[O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4O4F,,,,,,,
,,,IHP:A:403,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4O4E,,,,,,,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,5MY:A:403,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,4O4D,,,,,,,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I3P:A:403,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
1.3.-.-,,,,,,,,,
,Family. Representative Entry is ,1OLT,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:502,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:500,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.2.2.20,,,,,,,,,
,Family. Representative Entry is ,4AIA,,,,,,,
,,,ADK:A:400,valid,Kd,=,220,uM,Cn1cnc(c-2ncnc12)N,
,,,ADK:B:400,valid,Kd,=,220,uM,Cn1cnc(c-2ncnc12)N,
,,,ADK:C:400,valid,Kd,=,220,uM,Cn1cnc(c-2ncnc12)N,
,,,ADK:D:400,valid,Kd,=,220,uM,Cn1cnc(c-2ncnc12)N,
,,,ADK:E:400,valid,Kd,=,220,uM,Cn1cnc(c-2ncnc12)N,
,,,SO4:A:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,,,ZN:B:200,Part of Protein,,,,,[Zn+2],
,,,ZN:C:200,Part of Protein,,,,,[Zn+2],
,,,ZN:D:200,Part of Protein,,,,,[Zn+2],
,,,ZN:E:200,Part of Protein,,,,,[Zn+2],
,,4AI5,,,,,,,
,,,ADK:A:400,valid,Kd,=,1.2,mM,Cn1cnc(c-2ncnc12)N,
,,,ADK:B:400,valid,Kd,=,1.2,mM,Cn1cnc(c-2ncnc12)N,
,,,ADK:C:400,valid,Kd,=,1.2,mM,Cn1cnc(c-2ncnc12)N,
,,,ADK:D:400,valid,Kd,=,1.2,mM,Cn1cnc(c-2ncnc12)N,
,,,ADK:E:400,valid,Kd,=,1.2,mM,Cn1cnc(c-2ncnc12)N,
,,,SO4:A:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,,,ZN:B:200,Part of Protein,,,,,[Zn+2],
,,,ZN:C:200,Part of Protein,,,,,[Zn+2],
,,,ZN:D:200,Part of Protein,,,,,[Zn+2],
,,,ZN:E:200,Part of Protein,,,,,[Zn+2],
3.5.3.12,,,,,,,,,
,Family. Representative Entry is ,6NIC,,,,,,,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:D:403,Part of Protein,,,,,[Na+],
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,KQY:C:402,valid,,,,,C(CCC(=O)N)CCN,
,,,KQY:A:403,valid,,,,,C(CCC(=O)N)CCN,
,,,KQY:D:402,valid,,,,,C(CCC(=O)N)CCN,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
2.6.1.52,,,,,,,,,
,Family. Representative Entry is ,2FYF,,,,,,,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2393,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2394,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2395,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2396,invalid,,,,,C(C(CO)O)O,
,,,PC4:A:1378,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PC4:A:1382,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PC4:B:2378,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PC4:B:2383,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PC4:B:2386,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PC4:B:2391,invalid,,,,,Cl[Pt-2](Cl)(Cl)Cl,
,,,PLP:A:1377,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:2377,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:2392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6CZY,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,,MPD:C:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PMP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,NA:B:504,invalid,,,,,[Na+],
,Family. Representative Entry is ,4AZJ,,,,,,,
,,,SEP PLP:B:500,valid,,,,,P(=O)(OCC([NH2+]Cc1c(O)c(C)ncc1COP(=O)([O-])[O-])C(=O)[O-])([O-])[O-],
,,,SEP PLP:A:500,valid,,,,,P(=O)(OCC([NH2+]Cc1c(O)c(C)ncc1COP(=O)([O-])[O-])C(=O)[O-])([O-])[O-],
,,,CL:B:1361,invalid,,,,,[Cl-],
,,,CL:A:1361,invalid,,,,,[Cl-],
,,,NA:A:1362,invalid,,,,,[Na+],
,,,NA:A:1363,Part of Protein,,,,,[Na+],
,,,NA:B:1362,invalid,,,,,[Na+],
1.6.99.3,,,,,,,,,
,Family. Representative Entry is ,5JWC,,,,,,,
,,,4W0:A:611,valid,ic50,=,3.73,nM,CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F,
,,,4W0:A:610,valid,ic50,=,3.73,nM,CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F,
,,,4W0:A:609,valid,ic50,=,3.73,nM,CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F,
,,,4W0:H:609,valid,ic50,=,3.73,nM,CC1=C(Nc2cccc(c2C1=O)F)c3ccc(cc3)Cc4ccc(cc4)OC(F)(F)F,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:H:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:H:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:605,Part of Protein,,,,,[Mg+2],
,,,TRT:H:606,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:606,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:607,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:608,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:H:607,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:H:608,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5JWA,,,,,,,
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:613,invalid,,,,,CC(=O)[O-],
,,,ACT:H:613,invalid,,,,,CC(=O)[O-],
,,,ACT:H:610,invalid,,,,,CC(=O)[O-],
,,,ACT:H:609,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:H:614,invalid,,,,,CC(=O)[O-],
,,,ACT:H:612,invalid,,,,,CC(=O)[O-],
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,ACT:H:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:612,invalid,,,,,CC(=O)[O-],
,,,ACT:H:615,invalid,,,,,CC(=O)[O-],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:H:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:H:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:605,Part of Protein,,,,,[Mg+2],
,,,TRT:H:606,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:606,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:607,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:A:608,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:H:607,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:H:608,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1NOX,,,,,,,
,,,FMN:A:300,valid,Kd,=,90,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.1.8.2,,,,,,,,,
,Family. Representative Entry is ,2GVV,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DI9:A:502,valid,Kd,=,400,uM,C1CCC(C1)OP(=O)(N)OC2CCCC2,
4.3.1.27,,,,,,,,,
,Family. Representative Entry is ,3WQD,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:406,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,PLP 999:A:401,valid,Ki,=,0.114,mM,P(=O)(OCc1c(C=NC(C(=O)[O-])C(O)C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,PLP 999:B:402,valid,Ki,=,0.114,mM,P(=O)(OCc1c(C=NC(C(=O)[O-])C(O)C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,3WQE,,,,,,,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,PLP 2TL:A:401,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C(O)C)c(O)c(C)nc1)([O-])[O-],
,,,PLP 2TL:B:401,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C(O)C)c(O)c(C)nc1)([O-])[O-],
,,4PB5,,,,,,,
,,,PLP BH2:A:401,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C(O)C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,PLP BH2:B:401,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C(O)C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,4PB4,,,,,,,
,,,PLP 2KZ:A:401,valid,,,,,P(=O)(OCc1c(CNC(C(=O)[O-])=CC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,PLP 2KZ:B:401,valid,,,,,P(=O)(OCc1c(CNC(C(=O)[O-])=CC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
4.1.1.45,,,,,,,,,
,Family. Representative Entry is ,2WM1,,,,,,,
,,,13P:A:1334,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1333,Part of Protein,,,,,[Zn+2],
,,4IH3,,,,,,,
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:F:401,Part of Protein,,,,,[Zn+2],
,,,PDC:B:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:C:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:D:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:E:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:F:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
3.4.25.69,,,,,,,,,
,Family. Representative Entry is ,3D3X,,,,,,,
,,,ARG ILE MET GLU NH2:C:180,valid,Ki,=,69,uM,S(CCC(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C)C(=O)NC(C(=O)[NH3+])CCC(=O)[O-])C,
,,,ARG ILE MET GLU NH2:D:180,valid,Ki,=,69,uM,S(CCC(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C)C(=O)NC(C(=O)[NH3+])CCC(=O)[O-])C,
,,,SO4:A:891,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:892,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:893,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:894,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:896,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:897,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:890,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:895,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:428,Part of Protein,,,,,[Zn+2],
,,,ZN:B:822,Part of Protein,,,,,[Zn+2],
3.1.3.25,,,,,,,,,
,Family. Representative Entry is ,6GIU,,,,,,,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,invalid,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,L69:A:304,valid,,,,,CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O,
,,,L69:B:305,valid,,,,,CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O,
,,1IMA,,,,,,,
,,,GD:A:278,invalid,,,,,[Gd],
,,,GD:B:278,invalid,,,,,[Gd],
,,,IPD:A:279,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:B:279,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,1IMB,,,,,,,
,,,GD:A:278,invalid,,,,,[Gd],
,,,GD:B:278,invalid,,,,,[Gd],
,,,LIP:A:279,valid,,,,,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,LIP:B:279,valid,,,,,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,1AWB,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:278,Part of Protein,,,,,[Ca+2],
,,,CA:A:279,Part of Protein,,,,,[Ca+2],
,,,CA:B:278,Part of Protein,,,,,[Ca+2],
,,,CA:B:279,Part of Protein,,,,,[Ca+2],
,,,CA:B:280,Part of Protein,,,,,[Ca+2],
,,,CL:A:280,invalid,,,,,[Cl-],
,,,CL:B:281,invalid,,,,,[Cl-],
,,,IPD:A:281,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:B:1,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,Family. Representative Entry is ,5EYG,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,PG0:A:307,invalid,,,,,COCCOCCO,
,,,CL:B:306,invalid,,,,,[Cl-],
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:304,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:306,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PG4:B:303,invalid,,,,,C(COCCOCCOCCO)O,
,,3RYD,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:270,Part of Protein,,,,,[Ca+2],
,,,CA:C:267,Part of Protein,,,,,[Ca+2],
,,,K:A:268,Part of Protein,,,,,[K+],
,,,K:A:269,Part of Protein,,,,,[K+],
,,,K:C:266,Part of Protein,,,,,[K+],
,,,SRT:A:267,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:271,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:268,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5EYH,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,NAP:A:306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,5F24,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,P6G:B:307,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,IPD:B:308,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:A:306,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1G0H,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CA:A:291,Part of Protein,,,,,[Ca+2],
,,,CA:B:590,Part of Protein,,,,,[Ca+2],
,,,CA:B:591,Part of Protein,,,,,[Ca+2],
,,,IPD:A:292,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:B:592,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,1G0I,,,,,,,
,,,INS:A:594,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:294,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,MN:A:290,Part of Protein,,,,,[Mn+2],
,,,MN:A:291,Part of Protein,,,,,[Mn+2],
,,,MN:A:292,Part of Protein,,,,,[Mn+2],
,,,MN:B:590,Part of Protein,,,,,[Mn+2],
,,,MN:B:591,Part of Protein,,,,,[Mn+2],
,,,MN:B:592,Part of Protein,,,,,[Mn+2],
,,,PO4:A:293,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:593,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2P3V,,,,,,,
,,,SRT:B:4501,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:4502,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:4504,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:4503,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
6.2.1.2,,,,,,,,,
,Family. Representative Entry is ,3C5E,,,,,,,
,,,ATP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,TRS:A:802,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UNL:A:804,invalid,,,,,NULL,
,,,UNL:A:805,invalid,,,,,NULL,
,,,UNL:A:806,invalid,,,,,NULL,
,,,UNL:A:807,invalid,,,,,NULL,
,,3DAY,,,,,,,
,,,APC:A:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,TRS:A:607,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UNX:A:682,invalid,,,,,*,
,,,UNX:A:684,invalid,,,,,*,
,,,UNX:A:685,invalid,,,,,*,
,,,UNX:A:686,invalid,,,,,*,
,,,UNX:A:687,invalid,,,,,*,
,,,UNX:A:688,invalid,,,,,*,
,,,UNX:A:689,invalid,,,,,*,
,,,UNX:A:690,invalid,,,,,*,
,,,UNX:A:691,invalid,,,,,*,
,,,UNX UNX:A:681,invalid,,,,,,
,,3EQ6,,,,,,,
,,,AMP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BCO:A:911,valid,,,,,CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,BCO:B:912,valid,,,,,CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3GPC,,,,,,,
,,,COA:A:578,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:902,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,2VZE,,,,,,,
,,,AMP:A:1570,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1570,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1571,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:C:1570,Part of Protein,,,,,[Mg+2],
4.1.3.4,,,,,,,,,
,Family. Representative Entry is ,2CW6,,,,,,,
,,,3HG:A:399,valid,,,,,C(C(CC(=O)O)O)C(=O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:405,Part of Protein,,,,,[Mg+2],
,,,MG:E:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:406,Part of Protein,,,,,[Mg+2],
,,3MP5,,,,,,,
,,,HMG:B:401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,3MP3,,,,,,,
,,,3HG:A:400,valid,,,,,C(C(CC(=O)O)O)C(=O)O,
,,,HGG:B:399,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@H](CC(=O)O)O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:405,Part of Protein,,,,,[Mg+2],
,,,MG:E:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:406,Part of Protein,,,,,[Mg+2],
2.7.3.9,,,,,,,,,
,Family. Representative Entry is ,2XZ9,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,PYR:A:6450,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:6450,valid,,,,,CC(=O)C(=O)O,
,,2XZ7,,,,,,,
,,,MG:A:6081,Part of Protein,,,,,[Mg+2],
,,,PEP:A:6080,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
2.8.1.1,,,,,,,,,
,Family. Representative Entry is ,1DP2,,,,,,,
,,,LPB:A:900,valid,,,,,C1CSS[C@H]1CCCCC(=O)O,
3.4.24.42,,,,,,,,,
,Family. Representative Entry is ,1ATL,,,,,,,
,,,0QI:A:301,valid,Ki,=,0.52,uM,CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O,
,,,0QI:B:311,valid,Ki,=,0.52,uM,CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,1DTH,,,,,,,
,,,BAT:A:972,valid,ic50,=,6,nM,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,BAT:B:973,valid,ic50,=,6,nM,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
2.7.1.48,,,,,,,,,
,Family. Representative Entry is ,1UJ2,,,,,,,
,,,ADP:A:2302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,C5P:A:2301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:2303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,1XRJ,,,,,,,
,,,ADP:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,C5P:A:405,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:406,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3ASZ,,,,,,,
,,,C5P:A:212,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:212,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
1.2.4.4,,,,,,,,,
,Family. Representative Entry is ,1OLS,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TDP:A:601,valid,Kd,=,1.52,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1X7Z,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,TDP:A:801,valid,Kd,=,40.3,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1OLX,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TDP:A:601,valid,Kd,=,47.1,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1V11,,,,,,,
,,,BEN:A:701,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TDP:A:601,valid,Kd,=,104.8,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1V16,,,,,,,
,,,BEN:A:701,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TDP:A:601,valid,Kd,=,134.8,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2BFC,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TZD:A:601,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,2BFD,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MPD:B:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TDP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2J9F,,,,,,,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1345,invalid,,,,,C(C(CO)O)O,
,,,K:A:1402,Part of Protein,,,,,[K+],
,,,K:B:1343,Part of Protein,,,,,[K+],
,,,K:C:1402,Part of Protein,,,,,[K+],
,,,K:D:1343,Part of Protein,,,,,[K+],
,,,MN:A:1401,Part of Protein,,,,,[Mn+2],
,,,MN:C:1401,Part of Protein,,,,,[Mn+2],
,,,THV:A:1403,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,THV:C:1403,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,1X7W,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,TDP:A:801,valid,Kd,=,60.9,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2BFE,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MRD:B:901,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,TDP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1X80,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,TDP:A:801,valid,Kd,=,89.3,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2BEV,,,,,,,
,,,ALA TYR ARG:C:299,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)Cc1ccc(O)cc1,
,,,CL:A:1404,invalid,,,,,[Cl-],
,,,CL:B:1343,invalid,,,,,[Cl-],
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,K:A:1402,Part of Protein,,,,,[K+],
,,,K:B:1346,Part of Protein,,,,,[K+],
,,,MN:A:1403,Part of Protein,,,,,[Mn+2],
,,,THY:A:601,valid,,,,,CC[C@H](C)[C-](c1[n+](c(c(s1)CCO[P@](=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O,
,,1X7Y,,,,,,,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,K:A:801,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,TDP:A:901,valid,Kd,=,54.4,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2BFF,,,,,,,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,K:A:1401,Part of Protein,,,,,[K+],
,,,K:B:1343,Part of Protein,,,,,[K+],
,,,MN:A:1402,Part of Protein,,,,,[Mn+2],
,,,TZD:A:601,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,2BEW,,,,,,,
,,,ALA TYR ARG:C:299,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)Cc1ccc(O)cc1,
,,,CL:A:1404,invalid,,,,,[Cl-],
,,,CL:B:1344,invalid,,,,,[Cl-],
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1346,invalid,,,,,C(C(CO)O)O,
,,,K:A:1401,Part of Protein,,,,,[K+],
,,,K:B:1343,Part of Protein,,,,,[K+],
,,,MN:A:1402,Part of Protein,,,,,[Mn+2],
,,,THW:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](c3ccccc3)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,1OLU,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,TDP:A:601,valid,Kd,=,39.3,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,2BEU,,,,,,,
,,,ALA TYR ARG:C:299,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)Cc1ccc(O)cc1,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,K:A:1401,Part of Protein,,,,,[K+],
,,,K:B:1344,Part of Protein,,,,,[K+],
,,,MN:A:1402,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THV:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](C(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2BFB,,,,,,,
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,K:A:1401,Part of Protein,,,,,[K+],
,,,K:B:1343,Part of Protein,,,,,[K+],
,,,MN:A:1402,Part of Protein,,,,,[Mn+2],
,,,MRD:B:1345,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,TDP:A:1404,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1X7X,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,TDP:A:801,valid,Kd,=,52.6,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1WCI,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:1343,invalid,,,,,[Cl-],
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,K:A:1402,Part of Protein,,,,,[K+],
,,,K:B:1346,Part of Protein,,,,,[K+],
,,,MN:A:1403,Part of Protein,,,,,[Mn+2],
,,,WWF:A:1401,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@H](CC(C)C)O)CCO[P@@](=O)(O)OP(=O)(O)O,
,,1V1M,,,,,,,
,,,BEN:A:1406,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1402,invalid,,,,,[Cl-],
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:B:2343,invalid,,,,,[Cl-],
,,,GOL:B:2344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2345,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2346,invalid,,,,,C(C(CO)O)O,
,,,K:A:1404,Part of Protein,,,,,[K+],
,,,K:B:2347,Part of Protein,,,,,[K+],
,,,MN:A:1405,Part of Protein,,,,,[Mn+2],
,,,TDP:A:1401,valid,Kd,=,115,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1U5B,,,,,,,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,TDP:A:601,valid,Kd,=,1.6,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,Family. Representative Entry is ,1UMD,,,,,,,
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:C:2401,Part of Protein,,,,,[Mg+2],
,,,TDP COI:A:1402,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCC1=C(C)N(CC=2C(=N)N=C(C)NC=2)C(=C(O)CC(C)C)S1)[O-],
,,,TDP COI:C:2402,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCCC1=C(C)N(CC=2C(=N)N=C(C)NC=2)C(=C(O)CC(C)C)S1)[O-],
,,1UMB,,,,,,,
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:C:2401,Part of Protein,,,,,[Mg+2],
,,,TDP:A:1402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:2402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,1UMC,,,,,,,
,,,4MV:D:1403,valid,,,,,CC(C)CCC(=O)O,
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:C:2401,Part of Protein,,,,,[Mg+2],
,,,TDP:A:1402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:2402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,Family. Representative Entry is ,6J7U,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.4.21.35,,,,,,,,,
,Family. Representative Entry is ,4NFE,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:301,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,2PKA,,,,,,,
,,,BEN:B:1,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:Y:1,valid,,,,,[H]/N=C(c1ccccc1)/N,
3.5.4.5,,,,,,,,,
,Family. Representative Entry is ,1UWZ,,,,,,,
,,,THU:A:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:B:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,ZN:A:1131,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1131,Part of Protein,,,,,[Zn+2],
,,1UX1,,,,,,,
,,,THU:A:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:B:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:C:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:D:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,TRS:A:1133,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1132,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1131,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1131,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1132,Part of Protein,,,,,[Zn+2],
,,1JTK,,,,,,,
,,,THU:A:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:B:1138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,ZN:A:137,Part of Protein,,,,,[Zn+2],
,,,ZN:B:137,Part of Protein,,,,,[Zn+2],
,,1UX0,,,,,,,
,,,THU:A:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,THU:B:138,valid,,,,,C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O,
,,,ZN:A:1131,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1131,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FR6,,,,,,,
,,,CTN:A:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:C:1003,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:D:1004,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,NH3:B:1006,invalid,,,,,N,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URI:B:1002,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:147,Part of Protein,,,,,[Zn+2],
,,,ZN:B:147,Part of Protein,,,,,[Zn+2],
,,,ZN:C:147,Part of Protein,,,,,[Zn+2],
,,,ZN:D:147,Part of Protein,,,,,[Zn+2],
,,1ZAB,,,,,,,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URD:A:1001,valid,,,,,C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URD:B:1002,valid,,,,,C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URD:C:1003,valid,,,,,C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URD:D:1004,valid,,,,,C1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:147,Part of Protein,,,,,[Zn+2],
,,,ZN:B:147,Part of Protein,,,,,[Zn+2],
,,,ZN:C:147,Part of Protein,,,,,[Zn+2],
,,,ZN:D:147,Part of Protein,,,,,[Zn+2],
,,2FR5,,,,,,,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYU:A:1001,valid,,,,,C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,TYU:B:1002,valid,,,,,C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,TYU:C:1003,valid,,,,,C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,TYU:D:1004,valid,,,,,C1CN(C(=O)N[C@@H]1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:147,Part of Protein,,,,,[Zn+2],
,,,ZN:B:147,Part of Protein,,,,,[Zn+2],
,,,ZN:C:147,Part of Protein,,,,,[Zn+2],
,,,ZN:D:147,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1MQ0,,,,,,,
,,,BRD:A:148,valid,,,,,C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,BRD:B:149,valid,,,,,C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:147,Part of Protein,,,,,[Zn+2],
,,,ZN:B:147,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1CTU,,,,,,,
,,,ZEB:A:295,valid,Ki,=,1.2,pM,C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:296,Part of Protein,,,,,[Zn+2],
,,1ALN,,,,,,,
,,,CTD:A:295,valid,,,,,C1=CN(C(=O)C=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:296,Part of Protein,,,,,[Zn+2],
,,1CTT,,,,,,,
,,,DHZ:A:295,valid,Ki,=,30,uM,C1C=CN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,ZN:A:296,Part of Protein,,,,,[Zn+2],
3.1.4.39,,,,,,,,,
,Family. Representative Entry is ,5LIA,,,,,,,
,,,CA:A:912,Part of Protein,,,,,[Ca+2],
,,,EDO:A:915,invalid,,,,,C(CO)O,
,,,EDO:A:916,invalid,,,,,C(CO)O,
,,,EDO:A:917,invalid,,,,,C(CO)O,
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,ZN:A:909,Part of Protein,,,,,[Zn+2],
,,,NA:A:913,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA MAN MAN MAN:B:1,invalid,,,,,,
,,,K:A:914,Part of Protein,,,,,[K+],
,,,6XN:A:908,valid,ic50,=,0.001,uM,C[C@@H](c1ccc(cc1)Cl)NC(=O)CCc2nc3cccnc3n2Cc4ccc(cc4)OC(F)(F)F,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5M0D,,,,,,,
,,,NA:A:922,Part of Protein,,,,,[Na+],
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:909,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,SCN:A:926,invalid,,,,,C(#N)[S-],
,,,SCN:A:925,invalid,,,,,C(#N)[S-],
,,,SCN:A:924,invalid,,,,,C(#N)[S-],
,,,SCN:A:923,invalid,,,,,C(#N)[S-],
,,,ZN:A:918,Part of Protein,,,,,[Zn+2],
,,,ZN:A:919,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,GOL:A:929,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:927,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:928,invalid,,,,,C(C(CO)O)O,
,,,CA:A:920,Part of Protein,,,,,[Ca+2],
,,,7C8:A:921,valid,,,,,C[C@H](CCCN1CCN(CC1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C,
,,4ZG6,,,,,,,
,,,4NY:B:910,valid,ic50,=,0.011,uM,c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(C#N)/c4ccc(cc4)C(=O)O)F,
,,,4NY:A:910,valid,ic50,=,0.011,uM,c1cc(ccc1Cn2cc(c3c2cc(cc3)Cl)/C=C(C#N)/c4ccc(cc4)C(=O)O)F,
,,,SCN:B:912,invalid,,,,,C(#N)[S-],
,,,SCN:A:914,invalid,,,,,C(#N)[S-],
,,,SCN:A:917,invalid,,,,,C(#N)[S-],
,,,SCN:A:915,invalid,,,,,C(#N)[S-],
,,,SCN:B:914,invalid,,,,,C(#N)[S-],
,,,SCN:B:911,invalid,,,,,C(#N)[S-],
,,,SCN:A:916,invalid,,,,,C(#N)[S-],
,,,SCN:A:912,invalid,,,,,C(#N)[S-],
,,,SCN:A:911,invalid,,,,,C(#N)[S-],
,,,SCN:B:915,invalid,,,,,C(#N)[S-],
,,,SCN:B:913,invalid,,,,,C(#N)[S-],
,,,SCN:A:913,invalid,,,,,C(#N)[S-],
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:B:905,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,NA:A:908,Part of Protein,,,,,[Na+],
,,,NA:B:908,Part of Protein,,,,,[Na+],
,,,NA:B:906,Part of Protein,,,,,[Na+],
,,,CA:B:907,Part of Protein,,,,,[Ca+2],
,,,CA:A:906,Part of Protein,,,,,[Ca+2],
,,6W35,,,,,,,
,,,CL:A:922,invalid,,,,,[Cl-],
,,,CL:A:919,invalid,,,,,[Cl-],
,,,CL:A:921,invalid,,,,,[Cl-],
,,,CL:A:930,invalid,,,,,[Cl-],
,,,CL:A:929,invalid,,,,,[Cl-],
,,,CL:A:934,invalid,,,,,[Cl-],
,,,CL:A:927,invalid,,,,,[Cl-],
,,,CL:A:920,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,CL:A:928,invalid,,,,,[Cl-],
,,,CL:A:935,invalid,,,,,[Cl-],
,,,CL:A:917,invalid,,,,,[Cl-],
,,,CA:A:912,Part of Protein,,,,,[Ca+2],
,,,CA:A:913,Part of Protein,,,,,[Ca+2],
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,IOD:A:926,invalid,,,,,[I-],
,,,IOD:A:923,invalid,,,,,[I-],
,,,IOD:A:924,invalid,,,,,[I-],
,,,IOD:A:925,invalid,,,,,[I-],
,,,IOD:A:933,invalid,,,,,[I-],
,,,MG:A:915,Part of Protein,,,,,[Mg+2],
,,,MG:A:914,Part of Protein,,,,,[Mg+2],
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SCN:A:916,invalid,,,,,C(#N)[S-],
,,,SCN:A:931,invalid,,,,,C(#N)[S-],
,,,SCN:A:932,invalid,,,,,C(#N)[S-],
,,,SKV:A:909,valid,Ki,=,12,nM,CC(C)[C@H](C(=O)N1CCC2(CC1)C(=O)N(C(=O)N2c3ccc4c(c3)c[nH]n4)C)NC(=O)c5cc(ccc5F)C(F)(F)F,
,,5DLT,,,,,,,
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:909,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:908,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,SCN:A:922,invalid,,,,,C(#N)[S-],
,,,SCN:A:926,invalid,,,,,C(#N)[S-],
,,,SCN:A:920,invalid,,,,,C(#N)[S-],
,,,SCN:A:927,invalid,,,,,C(#N)[S-],
,,,SCN:A:937,invalid,,,,,C(#N)[S-],
,,,SCN:A:918,invalid,,,,,C(#N)[S-],
,,,SCN:A:925,invalid,,,,,C(#N)[S-],
,,,SCN:A:921,invalid,,,,,C(#N)[S-],
,,,SCN:A:919,invalid,,,,,C(#N)[S-],
,,,SCN:A:924,invalid,,,,,C(#N)[S-],
,,,SCN:A:923,invalid,,,,,C(#N)[S-],
,,,GOL:A:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:936,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:935,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:932,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,NA:A:928,Part of Protein,,,,,[Na+],
,,,NA:A:929,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:907,Part of Protein,,,,,[Ca+2],
,,,5JK:A:906,valid,,,,,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,
,,5OLB,,,,,,,
,,,ZN:A:916,Part of Protein,,,,,[Zn+2],
,,,ZN:A:915,Part of Protein,,,,,[Zn+2],
,,,NA:A:918,Part of Protein,,,,,[Na+],
,,,NA:A:922,Part of Protein,,,,,[Na+],
,,,SO4:A:924,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:A:919,Part of Protein,,,,,[K+],
,,,CL:A:921,invalid,,,,,[Cl-],
,,,6ZO:A:925,valid,,,,,c1cc2c(cc1C(=O)CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)OC(=O)N2,
,,,PGE:A:923,invalid,,,,,C(COCCOCCO)O,
,,,CA:A:920,Part of Protein,,,,,[Ca+2],
,,,CA:A:917,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG FUC NAG FUC BMA MAN:B:1,invalid,,,,,,
,,5IJQ,,,,,,,
,,,PO4:A:908,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:925,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:A:922,invalid,,,,,[I-],
,,,IOD:A:931,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,IOD:A:924,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:927,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,IOD:A:930,invalid,,,,,[I-],
,,,IOD:A:926,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:923,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:938,invalid,,,,,[I-],
,,,IOD:A:932,invalid,,,,,[I-],
,,,IOD:A:929,invalid,,,,,[I-],
,,,IOD:A:928,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,SCN:A:905,invalid,,,,,C(#N)[S-],
,,,SCN:A:937,invalid,,,,,C(#N)[S-],
,,,SCN:A:935,invalid,,,,,C(#N)[S-],
,,,SCN:A:936,invalid,,,,,C(#N)[S-],
,,,ZN:A:907,Part of Protein,,,,,[Zn+2],
,,,ZN:A:906,Part of Protein,,,,,[Zn+2],
,,,NA:A:934,Part of Protein,,,,,[Na+],
,,,NA:A:933,Part of Protein,,,,,[Na+],
,,,CA:A:909,Part of Protein,,,,,[Ca+2],
,,,GOL:A:939,invalid,,,,,C(C(CO)O)O,
,,,5JK:A:901,valid,,,,,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3WAX,,,,,,,
,,,EDO:A:928,invalid,,,,,C(CO)O,
,,,EDO:A:926,invalid,,,,,C(CO)O,
,,,EDO:A:925,invalid,,,,,C(CO)O,
,,,EDO:A:933,invalid,,,,,C(CO)O,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,EDO:A:919,invalid,,,,,C(CO)O,
,,,EDO:A:927,invalid,,,,,C(CO)O,
,,,EDO:A:929,invalid,,,,,C(CO)O,
,,,EDO:A:922,invalid,,,,,C(CO)O,
,,,EDO:A:924,invalid,,,,,C(CO)O,
,,,EDO:A:932,invalid,,,,,C(CO)O,
,,,EDO:A:934,invalid,,,,,C(CO)O,
,,,EDO:A:931,invalid,,,,,C(CO)O,
,,,EDO:A:930,invalid,,,,,C(CO)O,
,,,EDO:A:923,invalid,,,,,C(CO)O,
,,,EDO:A:935,invalid,,,,,C(CO)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,DWX:A:936,valid,ic50,=,13,nM,B(c1cccc(c1)CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O,
,,,SCN:A:917,invalid,,,,,C(#N)[S-],
,,,SCN:A:918,invalid,,,,,C(#N)[S-],
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NA:A:915,Part of Protein,,,,,[Na+],
,,,ZN:A:913,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,CA:A:914,Part of Protein,,,,,[Ca+2],
,,,K:A:916,Part of Protein,,,,,[K+],
,,6LEH,,,,,,,
,,,CA:A:912,Part of Protein,,,,,[Ca+2],
,,,NAG NAG MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,EDO:A:927,invalid,,,,,C(CO)O,
,,,EDO:A:933,invalid,,,,,C(CO)O,
,,,EDO:A:928,invalid,,,,,C(CO)O,
,,,EDO:A:923,invalid,,,,,C(CO)O,
,,,EDO:A:924,invalid,,,,,C(CO)O,
,,,EDO:A:922,invalid,,,,,C(CO)O,
,,,EDO:A:934,invalid,,,,,C(CO)O,
,,,EDO:A:919,invalid,,,,,C(CO)O,
,,,EDO:A:926,invalid,,,,,C(CO)O,
,,,EDO:A:932,invalid,,,,,C(CO)O,
,,,EDO:A:925,invalid,,,,,C(CO)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,EDO:A:929,invalid,,,,,C(CO)O,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,EDO:A:931,invalid,,,,,C(CO)O,
,,,EDO:A:930,invalid,,,,,C(CO)O,
,,,EDO:A:918,invalid,,,,,C(CO)O,
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,K:A:914,Part of Protein,,,,,[K+],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:913,Part of Protein,,,,,[Na+],
,,,CL:A:916,invalid,,,,,[Cl-],
,,,CL:A:917,invalid,,,,,[Cl-],
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,EAR:A:935,valid,ic50,=,3.3,nM,CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3ccc(cc3)Cl,
,,5L0B,,,,,,,
,,,6ZM:A:911,valid,ic50,=,520,nM,CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1,
,,,6ZM:B:908,valid,ic50,=,520,nM,CC(=O)N1CCc2c(cnc(n2)NC3Cc4ccccc4C3)C1,
,,,NAG:B:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,ZN:A:913,Part of Protein,,,,,[Zn+2],
,,,ZN:B:909,Part of Protein,,,,,[Zn+2],
,,,ZN:A:914,Part of Protein,,,,,[Zn+2],
,,,ZN:B:910,Part of Protein,,,,,[Zn+2],
,,,ZN:B:911,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,CL:B:912,invalid,,,,,[Cl-],
,,,CL:A:915,invalid,,,,,[Cl-],
,,5M0M,,,,,,,
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,GOL:A:938,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:936,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:935,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:937,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:939,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:928,invalid,,,,,C(#N)[S-],
,,,SCN:A:943,invalid,,,,,C(#N)[S-],
,,,SCN:A:931,invalid,,,,,C(#N)[S-],
,,,SCN:A:932,invalid,,,,,C(#N)[S-],
,,,SCN:A:944,invalid,,,,,C(#N)[S-],
,,,SCN:A:933,invalid,,,,,C(#N)[S-],
,,,SCN:A:942,invalid,,,,,C(#N)[S-],
,,,SCN:A:941,invalid,,,,,C(#N)[S-],
,,,SCN:A:930,invalid,,,,,C(#N)[S-],
,,,SCN:A:929,invalid,,,,,C(#N)[S-],
,,,ZN:A:922,Part of Protein,,,,,[Zn+2],
,,,ZN:A:923,Part of Protein,,,,,[Zn+2],
,,,7CF:A:925,valid,,,,,C[C@H](CCC(=O)N[C@@H]1CCN(C1)C(=O)OCc2cc(cc(c2)Cl)Cl)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4[C@H](C[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C,
,,,NA:A:926,Part of Protein,,,,,[Na+],
,,,NA:A:927,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,NKP:A:945,invalid,,,,,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,CA:A:924,Part of Protein,,,,,[Ca+2],
,,5DLW,,,,,,,
,,,5D5:A:905,valid,Ki,=,9,uM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:925,invalid,,,,,[I-],
,,,IOD:A:926,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:A:923,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:922,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:924,invalid,,,,,[I-],
,,,IOD:A:927,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,SCN:A:928,invalid,,,,,C(#N)[S-],
,,,SCN:A:929,invalid,,,,,C(#N)[S-],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,NA:A:906,Part of Protein,,,,,[Na+],
,,,GOL:A:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:930,invalid,,,,,C(C(CO)O)O,
,,,NKP:A:904,valid,,,,,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5LQQ,,,,,,,
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,ZN:A:909,Part of Protein,,,,,[Zn+2],
,,,CA:A:911,Part of Protein,,,,,[Ca+2],
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,NA:A:923,Part of Protein,,,,,[Na+],
,,,72P:A:922,valid,ic50,=,81,nM,Cc1c(c2ccc(cc2n1c3ccccc3)Cl)Sc4cccc(c4)C(=O)O,
,,5IJS,,,,,,,
,,,NA:A:913,Part of Protein,,,,,[Na+],
,,,NA:A:914,Part of Protein,,,,,[Na+],
,,,5JK:A:903,valid,,,,,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,
,,,CA:A:906,Part of Protein,,,,,[Ca+2],
,,,IOD:A:909,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,IOD:A:907,invalid,,,,,[I-],
,,,IOD:A:908,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4ZG7,,,,,,,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,NA:A:906,Part of Protein,,,,,[Na+],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,4O0:A:908,valid,ic50,=,0.002,uM,Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)C(=O)O,
,,,NKN:A:909,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,CL:A:917,invalid,,,,,[Cl-],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3WAW,,,,,,,
,,,EDO:A:928,invalid,,,,,C(CO)O,
,,,EDO:A:926,invalid,,,,,C(CO)O,
,,,EDO:A:925,invalid,,,,,C(CO)O,
,,,EDO:A:933,invalid,,,,,C(CO)O,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,EDO:A:927,invalid,,,,,C(CO)O,
,,,EDO:A:929,invalid,,,,,C(CO)O,
,,,EDO:A:922,invalid,,,,,C(CO)O,
,,,EDO:A:924,invalid,,,,,C(CO)O,
,,,EDO:A:932,invalid,,,,,C(CO)O,
,,,EDO:A:934,invalid,,,,,C(CO)O,
,,,EDO:A:931,invalid,,,,,C(CO)O,
,,,EDO:A:930,invalid,,,,,C(CO)O,
,,,EDO:A:923,invalid,,,,,C(CO)O,
,,,EDO:A:935,invalid,,,,,C(CO)O,
,,,EDO:A:936,invalid,,,,,C(CO)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SCN:A:919,invalid,,,,,C(#N)[S-],
,,,SCN:A:918,invalid,,,,,C(#N)[S-],
,,,SCN:A:920,invalid,,,,,C(#N)[S-],
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:915,Part of Protein,,,,,[Na+],
,,,ZN:A:913,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,CA:A:914,Part of Protein,,,,,[Ca+2],
,,,DWW:A:937,valid,ic50,=,580,nM,B(c1ccccc1CN2CCN(CC2)C3=NC(=O)/C(=C/c4ccc(c(c4)Cl)Cl)/S3)(O)O,
,,,K:A:916,Part of Protein,,,,,[K+],
,,3WAV,,,,,,,
,,,NA:A:914,Part of Protein,,,,,[Na+],
,,,EDO:A:928,invalid,,,,,C(CO)O,
,,,EDO:A:926,invalid,,,,,C(CO)O,
,,,EDO:A:925,invalid,,,,,C(CO)O,
,,,EDO:A:933,invalid,,,,,C(CO)O,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,EDO:A:918,invalid,,,,,C(CO)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,EDO:A:919,invalid,,,,,C(CO)O,
,,,EDO:A:927,invalid,,,,,C(CO)O,
,,,EDO:A:929,invalid,,,,,C(CO)O,
,,,EDO:A:922,invalid,,,,,C(CO)O,
,,,EDO:A:924,invalid,,,,,C(CO)O,
,,,EDO:A:932,invalid,,,,,C(CO)O,
,,,EDO:A:934,invalid,,,,,C(CO)O,
,,,EDO:A:930,invalid,,,,,C(CO)O,
,,,EDO:A:931,invalid,,,,,C(CO)O,
,,,EDO:A:923,invalid,,,,,C(CO)O,
,,,EDO:A:935,invalid,,,,,C(CO)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SCN:A:916,invalid,,,,,C(#N)[S-],
,,,SCN:A:917,invalid,,,,,C(#N)[S-],
,,,K:A:915,Part of Protein,,,,,[K+],
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,DWV:A:937,valid,ic50,=,180,nM,CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2,
,,,SO4:A:936,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:913,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN:C:1,invalid,,,,,,
,,6Y5M,,,,,,,
,,,NA:A:917,Part of Protein,,,,,[Na+],
,,,NA:A:918,Part of Protein,,,,,[Na+],
,,,NA:A:915,Part of Protein,,,,,[Na+],
,,,NA:A:916,Part of Protein,,,,,[Na+],
,,,ZN:A:909,Part of Protein,,,,,[Zn+2],
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:912,invalid,,,,,[Cl-],
,,,CL:A:914,invalid,,,,,[Cl-],
,,,PO4:A:911,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O9W:A:913,valid,ic50,=,9.6,nM,Cc1nnn(n1)Cc2cc(ccc2/C=C/C(=O)N3CCN(C[C@H]3C)Cc4ccc(cc4)F)Cl,
,,,NAG NAG BMA MAN MAN MAN:B:1,invalid,,,,,,
,,5M0S,,,,,,,
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:A:922,invalid,,,,,[I-],
,,,IOD:A:943,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:924,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:923,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,GOL:A:938,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:942,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:941,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:939,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:928,invalid,,,,,C(#N)[S-],
,,,SCN:A:931,invalid,,,,,C(#N)[S-],
,,,SCN:A:932,invalid,,,,,C(#N)[S-],
,,,SCN:A:927,invalid,,,,,C(#N)[S-],
,,,SCN:A:937,invalid,,,,,C(#N)[S-],
,,,SCN:A:935,invalid,,,,,C(#N)[S-],
,,,SCN:A:936,invalid,,,,,C(#N)[S-],
,,,SCN:A:933,invalid,,,,,C(#N)[S-],
,,,SCN:A:930,invalid,,,,,C(#N)[S-],
,,,SCN:A:934,invalid,,,,,C(#N)[S-],
,,,SCN:A:929,invalid,,,,,C(#N)[S-],
,,,CA:A:910,Part of Protein,,,,,[Ca+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,7CW:A:925,valid,,,,,C[C@H](CCC(=O)NCCNC(=O)OCc1cc(cc(c1)Cl)Cl)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C,
,,,NA:A:926,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,5MHP,,,,,,,
,,,CL:A:914,invalid,,,,,[Cl-],
,,,CL:A:915,invalid,,,,,[Cl-],
,,,CL:A:916,invalid,,,,,[Cl-],
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,ZN:A:909,Part of Protein,,,,,[Zn+2],
,,,CA:A:911,Part of Protein,,,,,[Ca+2],
,,,PO4:A:918,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:919,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:912,Part of Protein,,,,,[Mg+2],
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SCN:A:917,invalid,,,,,C(#N)[S-],
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,7NB:A:920,valid,Ki,=,15,nM,CCc1c(n2cc(cc(c2n1)C)N3CCN(CC3)CC(=O)N4CC(C4)O)N(C)c5nc(c(s5)C#N)c6ccc(cc6)F,
,,,IOD:A:913,invalid,,,,,[I-],
,,5OHI,,,,,,,
,,,ZN:A:913,Part of Protein,,,,,[Zn+2],
,,,ZN:A:912,Part of Protein,,,,,[Zn+2],
,,,9V8:A:920,valid,,,,,c1cc2c(cc1C(=O)NCC3[C@H]4[C@@H]3CN(C4)C(=O)OCc5cc(cc(c5)C(F)(F)F)C(F)(F)F)nn[nH]2,
,,,NA:A:915,Part of Protein,,,,,[Na+],
,,,CA:A:919,Part of Protein,,,,,[Ca+2],
,,,CA:A:914,Part of Protein,,,,,[Ca+2],
,,,P3G:A:917,invalid,,,,,CCOCCOCCOCCOCCOCC,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:918,invalid,,,,,[Cl-],
,,,K:A:916,Part of Protein,,,,,[K+],
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5M0E,,,,,,,
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:909,invalid,,,,,[I-],
,,,IOD:A:906,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:911,invalid,,,,,[I-],
,,,IOD:A:945,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:A:907,invalid,,,,,[I-],
,,,IOD:A:946,invalid,,,,,[I-],
,,,IOD:A:912,invalid,,,,,[I-],
,,,IOD:A:908,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,SCN:A:926,invalid,,,,,C(#N)[S-],
,,,SCN:A:928,invalid,,,,,C(#N)[S-],
,,,SCN:A:931,invalid,,,,,C(#N)[S-],
,,,SCN:A:932,invalid,,,,,C(#N)[S-],
,,,SCN:A:927,invalid,,,,,C(#N)[S-],
,,,SCN:A:937,invalid,,,,,C(#N)[S-],
,,,SCN:A:935,invalid,,,,,C(#N)[S-],
,,,SCN:A:925,invalid,,,,,C(#N)[S-],
,,,SCN:A:936,invalid,,,,,C(#N)[S-],
,,,SCN:A:939,invalid,,,,,C(#N)[S-],
,,,SCN:A:933,invalid,,,,,C(#N)[S-],
,,,SCN:A:938,invalid,,,,,C(#N)[S-],
,,,SCN:A:923,invalid,,,,,C(#N)[S-],
,,,SCN:A:924,invalid,,,,,C(#N)[S-],
,,,SCN:A:930,invalid,,,,,C(#N)[S-],
,,,SCN:A:934,invalid,,,,,C(#N)[S-],
,,,SCN:A:929,invalid,,,,,C(#N)[S-],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,GOL:A:943,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:944,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:942,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:941,invalid,,,,,C(C(CO)O)O,
,,,NA:A:920,Part of Protein,,,,,[Na+],
,,,NA:A:919,Part of Protein,,,,,[Na+],
,,,7CR:A:922,valid,,,,,c1cc2c(cc1[C@@H](CCN3CCN(CC3)C(=O)OCc4cc(cc(c4)Cl)Cl)O)OC(=O)N2,
,,,5JK:A:921,valid,,,,,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:918,Part of Protein,,,,,[Ca+2],
,,5DLV,,,,,,,
,,,ZN:A:910,Part of Protein,,,,,[Zn+2],
,,,ZN:B:909,Part of Protein,,,,,[Zn+2],
,,,ZN:A:911,Part of Protein,,,,,[Zn+2],
,,,ZN:B:908,Part of Protein,,,,,[Zn+2],
,,,IOD:B:923,invalid,,,,,[I-],
,,,IOD:A:925,invalid,,,,,[I-],
,,,IOD:A:917,invalid,,,,,[I-],
,,,IOD:A:919,invalid,,,,,[I-],
,,,IOD:B:918,invalid,,,,,[I-],
,,,IOD:A:922,invalid,,,,,[I-],
,,,IOD:A:915,invalid,,,,,[I-],
,,,IOD:B:916,invalid,,,,,[I-],
,,,IOD:A:913,invalid,,,,,[I-],
,,,IOD:A:924,invalid,,,,,[I-],
,,,IOD:B:914,invalid,,,,,[I-],
,,,IOD:B:922,invalid,,,,,[I-],
,,,IOD:A:914,invalid,,,,,[I-],
,,,IOD:B:917,invalid,,,,,[I-],
,,,IOD:A:921,invalid,,,,,[I-],
,,,IOD:B:915,invalid,,,,,[I-],
,,,IOD:B:913,invalid,,,,,[I-],
,,,IOD:A:926,invalid,,,,,[I-],
,,,IOD:A:920,invalid,,,,,[I-],
,,,IOD:A:918,invalid,,,,,[I-],
,,,IOD:A:923,invalid,,,,,[I-],
,,,IOD:B:912,invalid,,,,,[I-],
,,,IOD:B:919,invalid,,,,,[I-],
,,,IOD:A:916,invalid,,,,,[I-],
,,,IOD:B:920,invalid,,,,,[I-],
,,,IOD:B:911,invalid,,,,,[I-],
,,,IOD:B:921,invalid,,,,,[I-],
,,,GOL:A:938,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:936,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:932,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:935,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:930,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:937,invalid,,,,,C(C(CO)O)O,
,,,SCN:B:929,invalid,,,,,C(#N)[S-],
,,,SCN:A:931,invalid,,,,,C(#N)[S-],
,,,SCN:A:932,invalid,,,,,C(#N)[S-],
,,,SCN:B:928,invalid,,,,,C(#N)[S-],
,,,NA:B:925,Part of Protein,,,,,[Na+],
,,,NA:A:928,Part of Protein,,,,,[Na+],
,,,NA:B:926,Part of Protein,,,,,[Na+],
,,,NA:A:929,Part of Protein,,,,,[Na+],
,,,CA:B:910,Part of Protein,,,,,[Ca+2],
,,,CA:A:912,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PO4:A:927,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:924,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:C:1,invalid,,,,,,
,,,5D5:B:927,valid,ic50,=,10.4,uM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,5D5:A:930,valid,ic50,=,10.4,uM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
1.3.99.17,,,,,,,,,
,Family. Representative Entry is ,1T3Q,,,,,,,
,,,18563_18564_18565_18566_:B:4923,invalid,,,,,,
,,,18716_18717_18718_18719_:E:4922,invalid,,,,,,
,,,FAD:C:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4909,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4910,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:3909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3906,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3907,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3908,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3901,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3904,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3905,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:3903,invalid,,,,,C(C(CO)O)O,
,,,MCN:B:4921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,SO4:B:3100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3107,invalid,,,,,[O-]S(=O)(=O)[O-],
1.2.1.47,,,,,,,,,
,Family. Representative Entry is ,6VR6,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.4.11.2,,,,,,,,,
,Family. Representative Entry is ,2ZXG,,,,,,,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,S23:A:901,valid,Ki,=,0.00000079,M,C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5MFT,,,,,,,
,,,NA:A:1004,Part of Protein,,,,,[Na+],
,,,NA:A:1005,Part of Protein,,,,,[Na+],
,,,NA:A:1006,Part of Protein,,,,,[Na+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1007,Part of Protein,,,,,[Na+],
,,,NA:A:1008,Part of Protein,,,,,[Na+],
,,,MLI:A:1021,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1023,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1022,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1025,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1024,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:1013,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1016,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1017,invalid,,,,,CS(=O)C,
,,,DMS:A:1018,invalid,,,,,CS(=O)C,
,,,CL:A:1020,invalid,,,,,[Cl-],
,,,CL:A:1019,invalid,,,,,[Cl-],
,,,7MF:A:1002,valid,Ki,=,34,nM,c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3B3B,,,,,,,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:990,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,TRP:A:900,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,3B2X,,,,,,,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:977,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:978,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:979,invalid,,,,,C(C(CO)O)O,
,,,LYS:A:960,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,MLI:A:990,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:991,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:992,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,4Q4I,,,,,,,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,NA:A:904,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,L2O VAL VAL ASP:C:1,valid,ic50,=,0.047,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C([NH3+])CC(C)C)C(C)C)C(C)C)CC(=O)[O-],
,,5MFR,,,,,,,
,,,MLI:A:1021,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1023,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1022,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1024,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:1015,Part of Protein,,,,,[Na+],
,,,NA:A:1020,Part of Protein,,,,,[Na+],
,,,NA:A:1019,Part of Protein,,,,,[Na+],
,,,NA:A:1018,Part of Protein,,,,,[Na+],
,,,NA:A:1014,Part of Protein,,,,,[Na+],
,,,NA:A:1013,Part of Protein,,,,,[Na+],
,,,NA:A:1017,Part of Protein,,,,,[Na+],
,,,NA:A:1016,Part of Protein,,,,,[Na+],
,,,CL:A:1027,invalid,,,,,[Cl-],
,,,CL:A:1029,invalid,,,,,[Cl-],
,,,CL:A:1028,invalid,,,,,[Cl-],
,,,7MK:A:1002,valid,Ki,=,50000,nM,c1ccc2c(c1)CC[C@@H](C(C2)(O)O)[NH3+],
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1025,invalid,,,,,CS(=O)C,
,,,DMS:A:1026,invalid,,,,,CS(=O)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3B34,,,,,,,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:977,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:980,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:982,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,PHE:A:900,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,3B37,,,,,,,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:980,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,TYR:A:900,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,2HPT,,,,,,,
,,,BES:A:960,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,,6G8B,,,,,,,
,,,DMS:A:1003,invalid,,,,,CS(=O)C,
,,,DMS:A:1004,invalid,,,,,CS(=O)C,
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,7MF:A:1005,valid,,,,,c1ccc(cc1)c2ccc(c3c2CC([C@H](CC3)[NH3+])(O)O)Br,
,,2DQM,,,,,,,
,,,BES:A:901,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5MFS,,,,,,,
,,,GOL:A:1039,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1032,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1028,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1033,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1029,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1030,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1027,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1038,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1031,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1026,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1036,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1037,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1035,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1034,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1010,Part of Protein,,,,,[Na+],
,,,NA:A:1005,Part of Protein,,,,,[Na+],
,,,NA:A:1006,Part of Protein,,,,,[Na+],
,,,NA:A:1008,Part of Protein,,,,,[Na+],
,,,NA:A:1004,Part of Protein,,,,,[Na+],
,,,NA:A:1009,Part of Protein,,,,,[Na+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1007,Part of Protein,,,,,[Na+],
,,,NA:A:1011,Part of Protein,,,,,[Na+],
,,,DMS:A:1019,invalid,,,,,CS(=O)C,
,,,DMS:A:1017,invalid,,,,,CS(=O)C,
,,,DMS:A:1021,invalid,,,,,CS(=O)C,
,,,DMS:A:1020,invalid,,,,,CS(=O)C,
,,,DMS:A:1018,invalid,,,,,CS(=O)C,
,,,CL:A:1022,invalid,,,,,[Cl-],
,,,CL:A:1024,invalid,,,,,[Cl-],
,,,CL:A:1025,invalid,,,,,[Cl-],
,,,CL:A:1023,invalid,,,,,[Cl-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,MLI:A:1015,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1016,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1012,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1014,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1013,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,7ML:A:1002,valid,Ki,=,330,nM,c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O,
,,3KED,,,,,,,
,,,DAB:A:880,valid,ic50,=,3.6,mM,C(CN)[C@@H](C(=O)O)N,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:977,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:978,invalid,,,,,C(C(CO)O)O,
,,,MLA:A:990,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:991,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:992,invalid,,,,,C(C(=O)O)C(=O)O,
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,ZN:A:875,Part of Protein,,,,,[Zn+2],
,,3QJX,,,,,,,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:977,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:978,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:979,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:981,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:982,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:983,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:950,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:890,Part of Protein,,,,,[Na+],
,,,NA:A:891,Part of Protein,,,,,[Na+],
,,,NA:A:892,Part of Protein,,,,,[Na+],
,,,SER:A:900,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,ZN:A:880,Part of Protein,,,,,[Zn+2],
,,4Q4E,,,,,,,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,NA:A:911,Part of Protein,,,,,[Na+],
,,,BB2:A:902,valid,ic50,=,0.19,uM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,3B2P,,,,,,,
,,,ARG:A:900,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:A:970,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:978,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:980,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:981,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:982,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:990,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,NA:A:952,Part of Protein,,,,,[Na+],
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4FYS,,,,,,,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAL TYR ILE HIS PRO PHE:C:1,valid,Kd,=,15,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)Cc1nc[nH]c1)C(CC)C)Cc1ccc(O)cc1)C([NH3+])C(C)C,
,,4FYT,,,,,,,
,,,L2O VAL VAL ASP:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C([NH3+])CC(C)C)C(C)C)C(C)C)CC(=O)[O-],
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1012,Part of Protein,,,,,[Zn+2],
,,4FYR,,,,,,,
,,,ACY:A:1025,invalid,,,,,CC(=O)O,
,,,BES:A:1014,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1013,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4OU3,,,,,,,
,,,SO4:A:1028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1027,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1029,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,CYS ASN GLY ARG CYS GLY:B:1,valid,Ki,=,38.7,uM,O=C([O-])CNC(=O)C1NC(=O)C(CCCNC(=[NH2+])N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C([NH3+])CSSC1,
,,,NAG:A:1019,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1016,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4NZ8,,,,,,,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ALA ALA ALA ALA ALA ALA:C:2,valid,,,,,O=CC(N)C,
,,,ALA ALA ALA ALA ALA ALA:B:1,valid,,,,,O=CC(N)C,
,,,SO4:A:1026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1016,Part of Protein,,,,,[Zn+2],
,,4NAQ,,,,,,,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ALA ALA ALA ALA ALA ALA ALA:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)C)C)C)C,
,,,ZN:A:1027,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4QHP,,,,,,,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:908,Part of Protein,,,,,[Zn+2],
,,,IMD:A:903,invalid,,,,,c1c[nH+]c[nH]1,
,,,32Q:A:901,valid,Ki,=,9,nM,c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccc(cc2)CN)C(=O)O)O,
,,,32R:A:902,valid,Ki,=,9,nM,c1ccc(cc1)CC[C@H](N)P(=O)(C[C@H](Cc2ccc(cc2)CN)C(=O)O)O,
,,4QIR,,,,,,,
,,,ZN:A:909,Part of Protein,,,,,[Zn+2],
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,379:A:901,valid,Ki,=,112,nM,c1ccc(cc1)C[C@H](CP(=O)([C@H](CCc2cccnc2)N)O)C(=O)O,
,,,SO4:A:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMD:A:905,invalid,,,,,c1c[nH+]c[nH]1,
,,4QUO,,,,,,,
,,,3DZ:A:901,valid,Ki,=,12,nM,c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O,
,,,3DZ:A:908,valid,Ki,=,12,nM,c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2cccc(c2)CN)C(=O)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:907,Part of Protein,,,,,[Zn+2],
,,,IMD:A:906,invalid,,,,,c1c[nH+]c[nH]1,
,,4QPE,,,,,,,
,,,37E:A:901,valid,,,,,C1CCC(CC1)NC[C@H](N)P(=O)(O)O,
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,4QME,,,,,,,
,,,SO4:A:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:919,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:908,Part of Protein,,,,,[Zn+2],
,,,IMD:A:911,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:912,invalid,,,,,c1c[nH+]c[nH]1,
,,,37B:A:901,valid,Ki,=,302,nM,c1ccc(cc1)CC[C@H](N)P(=O)(C[C@@H](Cc2ccccc2)C(=O)O)O,
,Family. Representative Entry is ,5ZI7,,,,,,,
,,,GLU:A:1001,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1001,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
2.7.1.26,,,,,,,,,
,Family. Representative Entry is ,1N07,,,,,,,
,,,ADP:A:164,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:165,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1N08,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,1N06,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5A89,,,,,,,
,,,FMN:B:339,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:339,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:B:343,Part of Protein,,,,,[Zn+2],
,,,ZN:A:343,Part of Protein,,,,,[Zn+2],
,,,ACY:A:1337,invalid,,,,,CC(=O)O,
,,,MG:B:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,ADP:B:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5A88,,,,,,,
,,,ADP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1337,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1337,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1338,invalid,,,,,C(C(CO)O)O,
,,,CA:D:1338,Part of Protein,,,,,[Ca+2],
,,,CA:B:1338,Part of Protein,,,,,[Ca+2],
,,,CA:C:1340,Part of Protein,,,,,[Ca+2],
,,,CA:A:1340,Part of Protein,,,,,[Ca+2],
,,5A8A,,,,,,,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,SO4:B:1338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1NB9,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,RBF:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,1P4M,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1NB0,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1Q9S,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
3.5.1.26,,,,,,,,,
,Family. Representative Entry is ,1P4V,,,,,,,
,,,GLY:C:596,valid,,,,,C(C(=O)O)N,
,,9GAF,,,,,,,
,,,GLY:C:596,valid,,,,,C(C(=O)O)N,
,,4R4Y,,,,,,,
,,,SD4:A:301,valid,,,,,C([C@@H](C(=O)O)N)C(=O)NO,
,,9GAC,,,,,,,
,,,GLY:A:296,valid,,,,,C(C(=O)O)N,
,,,GLY:C:596,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,1APZ,,,,,,,
,,,ASP:B:551,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:552,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:521,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,2GL9,,,,,,,
,,,ASN NAG:D:597,valid,,,,,,
,,,ASN NAG:B:297,valid,,,,,,
3.4.19.3,,,,,,,,,
,Family. Representative Entry is ,5Z48,,,,,,,
,,,PCA:A:305,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,PCA:B:302,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
1.14.14.17,,,,,,,,,
,Family. Representative Entry is ,6C6N,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EKV:A:610,valid,,,,,CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C,
,,,EKV:B:605,valid,,,,,CCN(CC#CC#CC(C)(C)OC)Cc1cccc(c1)OC[Si](C)(C)c2ccccc2C,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:611,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,CPS:A:608,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:609,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:604,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:605,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:606,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:607,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,6C6P,,,,,,,
,,,FAD:A:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CPS:B:604,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:601,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:601,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,EMV:A:604,valid,,,,,CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3,
,,,EMV:B:605,valid,,,,,CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(c1)OCc2cc(cs2)c3ccsc3,
2.1.1.48,,,,,,,,,
,Family. Representative Entry is ,1QAN,,,,,,,
,,,ACT:A:901,invalid,,,,,CC(=O)[O-],
,,,ACT:A:902,invalid,,,,,CC(=O)[O-],
,,,SAH:A:501,valid,Ki,=,33,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
4.3.1.15,,,,,,,,,
,Family. Representative Entry is ,4D9M,,,,,,,
,,,0JO:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,4D9N,,,,,,,
,,,DSN:A:401,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:B:401,valid,,,,,C([C@H](C(=O)O)N)O,
1.1.1.307,,,,,,,,,
,Family. Representative Entry is ,5Z6T,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.4.9,,,,,,,,,
,Family. Representative Entry is ,2YOH,,,,,,,
,,,WMJ:A:211,valid,Ki,=,11,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O,
,,,WMJ:B:211,valid,Ki,=,11,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=O)Nc3ccc(cc3)[N+](=O)[O-])O,
,,2YOF,,,,,,,
,,,ACT:C:1212,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1213,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1211,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1211,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1211,invalid,,,,,CC(=O)[O-],
,,,TAM:A:1212,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:B:1212,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,74W:B:211,valid,Ki,=,25,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O,
,,,74W:A:211,valid,Ki,=,25,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O,
,,,74W:C:211,valid,Ki,=,25,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O,
,,2WWF,,,,,,,
,,,ADP:A:212,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:212,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:212,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:215,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:216,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:217,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:215,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:216,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:217,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:218,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:215,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:216,invalid,,,,,C(C(CO)O)O,
,,,NA:A:213,Part of Protein,,,,,[Na+],
,,,NA:A:214,Part of Protein,,,,,[Na+],
,,,NA:A:218,Part of Protein,,,,,[Na+],
,,,NA:B:213,Part of Protein,,,,,[Na+],
,,,NA:B:214,Part of Protein,,,,,[Na+],
,,,NA:C:213,Part of Protein,,,,,[Na+],
,,,NA:C:214,Part of Protein,,,,,[Na+],
,,,TMP:A:211,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:211,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:211,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2YOG,,,,,,,
,,,74X:B:211,valid,Ki,=,31,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O,
,,,74X:A:211,valid,Ki,=,31,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](O2)CNC(=S)Nc3ccc(c(c3)C(F)(F)F)Cl)O,
,Family. Representative Entry is ,2V54,,,,,,,
,,,MG:B:1205,Part of Protein,,,,,[Mg+2],
,,,POP:B:1206,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TYD:A:1205,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:1207,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4GFD,,,,,,,
,,,0YB:A:301,valid,Ki,=,330,pM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O,
,,,0YB:B:301,valid,Ki,=,330,pM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)(C)C)c3ccc(c(c3)Oc4cccc(c4)Br)C(=O)O,
,,4QGA,,,,,,,
,,,31Z:A:301,valid,ic50,=,12,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,,31Z:B:301,valid,ic50,=,12,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,4HLD,,,,,,,
,,,16T:A:301,valid,ic50,=,0.5,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O,
,,,16T:B:301,valid,ic50,=,0.5,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)S(=O)(=O)c3ccc(c(c3)Oc4cccc(c4)Cl)O,
,,4QGG,,,,,,,
,,,32C:B:301,valid,ic50,=,1,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,,32C:A:301,valid,ic50,=,1,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,4QGF,,,,,,,
,,,32B:B:301,valid,ic50,=,69,nM,CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C,
,,,32B:A:301,valid,ic50,=,69,nM,CC[C@H](c1ccc(c(c1OC)Oc2cccc(c2)Cl)C(=O)O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C,
,,4QG7,,,,,,,
,,,32K:A:301,valid,ic50,=,10,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O,
,,,32K:B:301,valid,ic50,=,10,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3OC)Oc4cccc(c4)Cl)C(=O)O,
,,4QGH,,,,,,,
,,,32E:A:301,valid,ic50,=,1,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,,32E:B:301,valid,ic50,=,1,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@@H](CC(C)C)c3ccc(c(c3F)Oc4cccc(c4)Cl)C(=O)O,
,,2CCJ,,,,,,,
,,,CL:A:1206,invalid,,,,,[Cl-],
,,,CL:A:1207,invalid,,,,,[Cl-],
,,,CL:A:1208,invalid,,,,,[Cl-],
,,,CL:B:1206,invalid,,,,,[Cl-],
,,,CL:B:1207,invalid,,,,,[Cl-],
,,,EDO:A:1210,invalid,,,,,C(CO)O,
,,,EDO:B:1210,invalid,,,,,C(CO)O,
,,,EDO:B:1211,invalid,,,,,C(CO)O,
,,,TMP:A:1209,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1208,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1209,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2CCG,,,,,,,
,,,TMP:A:1205,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1206,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,4HDC,,,,,,,
,,,13Y:A:301,valid,ic50,=,1.2,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O,
,,,13Y:B:301,valid,ic50,=,1.2,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)[C@H](CC(C)C)c3ccc(c(c3)Oc4cccc(c4)Cl)C(=O)O,
,,4HEJ,,,,,,,
,,,14D:A:301,valid,ic50,=,24000,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3cccc(c3)Oc4cccc(c4)C(F)(F)F,
,,4GSY,,,,,,,
,,,0Y5:A:301,valid,ic50,=,120,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O,
,,,0Y5:B:301,valid,ic50,=,120,nM,CC1=CN(C(=O)NC1=O)[C@H]2CCCN(C2)Cc3ccc(c(c3)Oc4cccc(c4)C(F)(F)F)C(=O)O,
,,4HLC,,,,,,,
,,,T05:A:301,valid,ic50,=,174,nM,Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C,
,,,T05:B:301,valid,ic50,=,174,nM,Cc1cccc(c1)Oc2cc(ccc2C(=O)O)S(=O)(=O)N3CCC[C@@H](C3)N4C=C(C(=O)NC4=O)C,
,Family. Representative Entry is ,4TMK,,,,,,,
,,,T5A:A:214,valid,Kd,=,20,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,5TMP,,,,,,,
,,,Z5A:A:214,valid,Kd,=,34,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-],
,Family. Representative Entry is ,1NN5,,,,,,,
,,,2DT:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E2Q,,,,,,,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1E9C,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1NN0,,,,,,,
,,,2DT:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E2G,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TYD:A:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1NN1,,,,,,,
,,,2DT:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1NMX,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FDM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E2E,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:901,valid,,,,,F[Al](F)F,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1E9B,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ATM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E2D,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1E99,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1NMY,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FDM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)F,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,2XX3,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,NO3:A:1214,invalid,,,,,[N+](=O)([O-])[O-],
,,,TAE:A:1213,valid,,,,,CC1=CN(C(=O)NC1=O)CC=CC[P@](=O)(O)OP(=O)(O)O,
,,1NMZ,,,,,,,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,NYM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N,
,,1E9D,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1NN3,,,,,,,
,,,2DT:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)COP(=O)(O)O,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E9A,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,Z5A:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-],
,,1E9F,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1E9E,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1E98,,,,,,,
,,,ADP:A:214,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1E2F,,,,,,,
,,,ADP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,4UNR,,,,,,,
,,,QZE:A:1211,valid,ic50,=,0.002,uM,c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5,
,,,QZE:B:1211,valid,ic50,=,0.002,uM,c1cc(c2c(c1)C3=C(CC2)C(=C(C(=O)N3)C#N)c4ccc(cc4)C(=O)O)c5c[nH]nc5,
,,,MG:A:1210,Part of Protein,,,,,[Mg+2],
,,,MG:B:1210,Part of Protein,,,,,[Mg+2],
,,4UNP,,,,,,,
,,,TXW:A:1211,valid,Kd,=,590,uM,CCCc1cc2c(c(n1)C)C=CC(=O)N2,
,,5NR7,,,,,,,
,,,YUI:A:301,valid,ic50,=,0.95,uM,CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl,
,,,YUI:B:301,valid,ic50,=,0.95,uM,CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(c4ccccc4n3)Oc5cccc(c5)Cl,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,1N5I,,,,,,,
,,,ATP:A:543,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FLC:A:919,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:A:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1GSI,,,,,,,
,,,ACT:A:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,MG:A:1209,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:A:1210,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1GTV,,,,,,,
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TYD:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4UNS,,,,,,,
,,,QZ3:A:1210,valid,ic50,=,0.2,uM,CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C,
,,,QZ3:B:1210,valid,ic50,=,0.2,uM,CCc1cc2c(c(n1)C)C(=C(C(=O)N2)C#N)c3ccc(cc3)NS(=O)(=O)C,
,,,NA:A:1211,Part of Protein,,,,,[Na+],
,,,NA:B:1211,Part of Protein,,,,,[Na+],
,,4UNN,,,,,,,
,,,QZZ:B:1210,valid,ic50,=,0.42,uM,COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O,
,,,QZZ:A:1210,valid,ic50,=,0.42,uM,COc1cccc(c1)C2=CC(=C(C(=O)N2)C#N)c3ccc(cc3)C(=O)O,
,,1MRN,,,,,,,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T5A:A:301,valid,Ki,=,30,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,1W2G,,,,,,,
,,,ACT:A:1209,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1211,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1209,invalid,,,,,CC(=O)[O-],
,,,THM:A:1210,valid,Ki,=,27,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:1210,valid,Ki,=,27,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,6YT1,,,,,,,
,,,CIT:B:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PK5:A:301,valid,ic50,=,47,uM,CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C,
,,,PK5:B:301,valid,ic50,=,47,uM,CCC1C(N2CC(CCC2N1)Cl)C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C(=O)NC5=O)C,
,,1N5K,,,,,,,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:414,invalid,,,,,CC(=O)[O-],
,,,ACT:B:412,invalid,,,,,CC(=O)[O-],
,,,MG:B:413,Part of Protein,,,,,[Mg+2],
,,,TMP:A:409,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:411,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1N5L,,,,,,,
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,DPO:B:414,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,MG:B:215,Part of Protein,,,,,[Mg+2],
,,,TMP:A:409,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TYD:B:216,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1W2H,,,,,,,
,,,ACT:A:1211,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1212,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1209,invalid,,,,,CC(=O)[O-],
,,,ATM:A:1209,valid,Ki,~,10,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,ATM:A:1210,valid,Ki,~,10,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,ATM:B:1210,valid,Ki,~,10,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,1N5J,,,,,,,
,,,MG:A:217,Part of Protein,,,,,[Mg+2],
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TTP:A:219,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:218,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1MRS,,,,,,,
,,,5HU:A:217,valid,Ki,=,110,uM,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)O)O,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UNQ,,,,,,,
,,,NA:B:1211,invalid,,,,,[Na+],
,,,H6D:A:1210,valid,ic50,=,0.24,uM,C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N,
,,,H6D:B:1210,valid,ic50,=,0.24,uM,C[S@@](=O)C1=C(C(=O)NC(=C1)c2cccc(c2)OC(F)(F)F)C#N,
,,1G3U,,,,,,,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SO4:A:219,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:A:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,3TMK,,,,,,,
,,,T5A:A:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:B:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:C:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:D:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:E:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:F:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:G:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:H:217,valid,Kd,=,135,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,2TMK,,,,,,,
,,,ATM:A:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,ATM:B:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TMK,,,,,,,
,,,SO4:B:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:A:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:217,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,5ZB0,,,,,,,
,,,ADP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,CL:A:207,invalid,,,,,[Cl-],
,,5X8C,,,,,,,
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:B:209,invalid,,,,,[Cl-],
,,,CL:B:210,invalid,,,,,[Cl-],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,ACP:A:209,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,TMP:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,5ZB4,,,,,,,
,,,CA:A:208,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:209,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:210,Part of Protein,,,,,[Ca+2],
,,,CA:B:207,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,invalid,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:A:211,invalid,,,,,[Cl-],
,,,TMP:A:213,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:209,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5ZAX,,,,,,,
,,,TMP:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,invalid,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TYD:A:208,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,5X86,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,TMP:A:205,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:207,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,5X8B,,,,,,,
,,,ATP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,ADP:B:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TMP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,3UXM,,,,,,,
,,,0DN:A:800,valid,ic50,=,20,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O,
,,,0DN:B:801,valid,ic50,=,20,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O,
,,,0DN:C:802,valid,ic50,=,20,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O,
,,,0DN:D:803,valid,ic50,=,20,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CF)O,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:A:213,Part of Protein,,,,,[Mg+2],
,,,MG:C:213,Part of Protein,,,,,[Mg+2],
,,,MG:C:214,Part of Protein,,,,,[Mg+2],
,,3UWK,,,,,,,
,,,0DF:A:800,valid,ic50,=,58,uM,CN1c2cc(cnc2NC1=O)c3ccccc3,
,,,0DF:B:801,valid,ic50,=,58,uM,CN1c2cc(cnc2NC1=O)c3ccccc3,
,,,MG:A:213,invalid,,,,,[Mg+2],
,,3UWO,,,,,,,
,,,0DJ:A:800,valid,ic50,=,0.44,uM,CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N,
,,,0DJ:B:801,valid,ic50,=,0.44,uM,CN1c2cc(cnc2NC1=O)c3cccc(c3)C(=O)N,
,Family. Representative Entry is ,5H56,,,,,,,
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,invalid,,,,,[Mg+2],
,,,TYD:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MPD:B:206,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:208,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5XB2,,,,,,,
,,,F:B:204,invalid,,,,,[F-],
,,,F:B:206,invalid,,,,,[F-],
,,,F:B:205,invalid,,,,,[F-],
,,,TMP:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5XB3,,,,,,,
,,,TMP:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5XAI,,,,,,,
,,,TMP:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5H5B,,,,,,,
,,,FLC:B:201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5H5K,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,C5P:A:206,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:203,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
3.4.24.57,,,,,,,,,
,Family. Representative Entry is ,2IVN,,,,,,,
,,,ANP:A:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:1326,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1328,Part of Protein,,,,,[Mg+2],
,,2IVP,,,,,,,
,,,ATP:A:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FE2:A:1326,Part of Protein,,,,,[Fe+2],
1.1.1.90,,,,,,,,,
,Family. Representative Entry is ,1F8F,,,,,,,
,,,EOH:A:374,invalid,,,,,CCO,
,,,NAD:A:375,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:376,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:377,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:372,Part of Protein,,,,,[Zn+2],
,,,ZN:A:373,Part of Protein,,,,,[Zn+2],
4.4.1.21,,,,,,,,,
,Family. Representative Entry is ,2FQO,,,,,,,
,,,CO:A:701,Part of Protein,,,,,[Co+2],
,,,HYI:A:703,valid,Ki,=,0.37,uM,C(CSC[C@@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JVI,,,,,,,
,,,HCS:A:402,invalid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,RHC:A:401,valid,,,,,C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)O)N,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,2FQT,,,,,,,
,,,CO:A:701,Part of Protein,,,,,[Co+2],
,,,H1D:A:4398,valid,Ki,=,0.72,uM,C(CSC[C@H]([C@H](C(=O)NO)O)O)[C@@H](C(=O)O)N,
,,,SO4:A:4396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YCL,,,,,,,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,KRI:A:401,valid,,,,,C(CSC[C@H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JQW,,,,,,,
,,,HCS:A:401,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:A:402,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:A:403,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
3.4.22.38,,,,,,,,,
,Family. Representative Entry is ,4X6I,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3Y1:A:301,valid,Ki,=,10,nM,c1cc(c(cc1Br)N)C(=O)NC2(CCCCC2)C(=O)NCC#N,
,,2ATO,,,,,,,
,,,MYQ:A:217,valid,Ki,=,0.6,uM,C([C@@H](C(=O)O)S[Au])C(=O)O,
,,,SO4:A:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X6H,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3XT:A:301,invalid,,,,,[H]/N=CCNC(=O)C1(CCCCC1)NC(=O)c2ccc(c(c2)F)N,
,,,I37:A:302,valid,Ki,=,22,nM,c1cc(c(cc1C(=O)NC2(CCCCC2)C(=O)NCC#N)F)N,
,,5JA7,,,,,,,
,,,6HM:A:301,valid,,,,,c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O,
,,,6HM:B:301,valid,,,,,c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,1Q6K,,,,,,,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TCO:A:0,valid,ic50,=,26,nM,CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1,
,,3KX1,,,,,,,
,,,KX1:A:216,valid,ic50,=,100,nM,c1c(nc(nc1C2CCCCCC2)C#N)CCCN3CCCCC3,
,,,SO4:A:217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5J94,,,,,,,
,,,1XF:A:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC(=O)CSC(=O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3C9E,,,,,,,
,,,BDP ASG BDP ASG BDP ASG:B:1,valid,Kd,~,12,nM,S(=O)(=O)(OC1C(OC2C(O)C(O)C(OC3C(NC(=O)C)CC(OS(=O)(=O)[O-])C(CO)O3)C(C(=O)[O-])O2)C(NC(=O)C)C(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(CO)OC(OC4C(O)C(O)C(O)OC4C(=O)[O-])C3NC(=O)C)OC2C(=O)[O-])OC1CO)[O-],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,E64:A:308,invalid,,,,,CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O,
,,4N8W,,,,,,,
,,,BDP:B:5,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:B:3,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:B:1,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,ASG:B:4,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O,
,,,ASG:B:6,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O,
,,,ASG:B:2,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O,
2.1.1.284,,,,,,,,,
,Family. Representative Entry is ,5MGZ,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
3.4.21.89,,,,,,,,,
,Family. Representative Entry is ,4WVH,,,,,,,
,,,ASP HIS ASP ALA HIS ALA:C:153,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1nc[nH]c1)CC(=O)[O-])C)Cc1nc[nH]c1)C,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WVG,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1T7D,,,,,,,
,,,DSE DAL GLY 5PG ALA TYR:C:1,valid,Kd,=,0.000000064,M,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(O)ccc1c2)C)C([NH2+]C)CO,
,,,DSE DAL GLY 5PG ALA TYR:D:1,valid,Kd,=,0.000000064,M,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(O)ccc1c2)C)C([NH2+]C)CO,
,,,M12:C:0,invalid,,,,,CC(C)CCCCCCCCC(=O)O,
,,,M12:D:0,invalid,,,,,CC(C)CCCCCCCCC(=O)O,
,,3S04,,,,,,,
,,,DSE DAL GLY 02V ALA TYR 02U RAM:I:2,valid,,,,,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(OC3C(O)C(O)C(O)C(C)O3)c(O)cc1c2)C)C(N(C(=O)C)C)CO,
,,,DSE DAL GLY 02V ALA TYR 02U RAM:J:2,valid,,,,,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(OC3C(O)C(O)C(O)C(C)O3)c(O)cc1c2)C)C(N(C(=O)C)C)CO,
,,3IIQ,,,,,,,
,,,CCN:A:330,invalid,,,,,CC#N,
,,,CCN:A:331,invalid,,,,,CC#N,
,,,DSE DAL GLY 5PG ALA TYR:C:1,valid,,,,,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(O)ccc1c2)C)C([NH2+]C)CO,
,,,DSE DAL GLY 5PG ALA TYR:D:1,valid,,,,,O=C(NC(C(=O)NCC(=O)N(C)C1C(=O)NC(C)C(=O)NC(C(=O)[O-])Cc2cc(c(O)cc2)-c2c(O)ccc1c2)C)C([NH2+]C)CO,
,,,GOL:A:326,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:329,invalid,,,,,C(C(CO)O)O,
,,,JZA:A:324,valid,ic50,=,610,uM,C1COCCN1C(=O)N2CCS2(=O)=O,
,,,JZA:B:324,valid,ic50,=,610,uM,C1COCCN1C(=O)N2CCS2(=O)=O,
,,,M12:C:0,valid,ic50,=,1,mM,CC(C)CCCCCCCCC(=O)O,
,,,M12:D:0,valid,ic50,=,1,mM,CC(C)CCCCCCCCC(=O)O,
,,,TRT:A:325,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,,,TRT:B:325,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC,
,Family. Representative Entry is ,4WVI,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4WVJ,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
3.4.24.4,,,,,,,,,
,Family. Representative Entry is ,4B52,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,RDF:B:501,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,RDF:A:501,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:1305,Part of Protein,,,,,[Na+],
1.1.3.47,,,,,,,,,
,Family. Representative Entry is ,6F97,,,,,,,
,,,FAD:B:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.14.18.1,,,,,,,,,
,Family. Representative Entry is ,6JU9,,,,,,,
,,,CU:A:503,Part of Protein,,,,,[Cu+2],
,,,CU:B:503,Part of Protein,,,,,[Cu+2],
,,,CU:A:504,Part of Protein,,,,,[Cu+2],
,,,CU:B:502,Part of Protein,,,,,[Cu+2],
,,,TYR:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,DAH:A:502,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,NO3:A:505,invalid,,,,,[N+](=O)([O-])[O-],
,,6JU7,,,,,,,
,,,TYR:A:1601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:2601,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,NO3:A:1602,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6QXD,,,,,,,
,,,CU:A:302,Part of Protein,,,,,[Cu+2],
,,,CU:B:301,Part of Protein,,,,,[Cu+2],
,,,CU:A:301,Part of Protein,,,,,[Cu+2],
,,,CU:B:302,Part of Protein,,,,,[Cu+2],
,,,JKB:A:303,valid,ic50,=,0.96,uM,c1cc(ccc1CN2CCN(CC2)C(=O)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])F,
,,4P6R,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,TYR:A:303,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:303,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,4P6S,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,DAH:B:305,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:A:305,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:A:304,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,DAH:B:303,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,4P6T,,,,,,,
,,,CU:A:302,Part of Protein,,,,,[Cu+2],
,,,CU:B:303,Part of Protein,,,,,[Cu+2],
,,,CU:A:303,Part of Protein,,,,,[Cu+2],
,,,CU:B:302,Part of Protein,,,,,[Cu+2],
,,,YRL:B:301,valid,,,,,c1cc(ccc1CCO)O,
,,,YRL:A:301,valid,,,,,c1cc(ccc1CCO)O,
,,5I3B,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,HQE:B:303,valid,Kd,=,9,uM,c1cc(ccc1O)O,
,,,HQE:A:303,valid,Kd,=,9,uM,c1cc(ccc1O)O,
,,5I3A,,,,,,,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,HQE:A:303,valid,Kd,=,9,uM,c1cc(ccc1O)O,
,,,HQE:B:304,valid,Kd,=,9,uM,c1cc(ccc1O)O,
,,3NQ1,,,,,,,
,,,CU:A:501,Part of Protein,,,,,[Cu+2],
,,,CU:A:502,Part of Protein,,,,,[Cu+2],
,,,CU:B:501,Part of Protein,,,,,[Cu+2],
,,,CU:B:502,Part of Protein,,,,,[Cu+2],
,,,KOJ:A:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,KOJ:B:1351,valid,,,,,C1=C(OC=C(C1=O)O)CO,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:507,Part of Protein,,,,,[Zn+2],
,,6EI4,,,,,,,
,,,CU:A:303,Part of Protein,,,,,[Cu+2],
,,,CU:B:303,Part of Protein,,,,,[Cu+2],
,,,CU:A:302,Part of Protein,,,,,[Cu+2],
,,,CU:B:302,Part of Protein,,,,,[Cu+2],
,,,B5N:B:301,valid,,,,,Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F,
,,,B5N:A:301,valid,,,,,Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(cc3)F,
1.1.1.87,,,,,,,,,
,Family. Representative Entry is ,3TY3,,,,,,,
,,,GGG:A:363,valid,,,,,C(C(=O)NCC(=O)NCC(=O)O)N,
,,,GGG:B:363,valid,,,,,C(C(=O)NCC(=O)NCC(=O)O)N,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3969,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:364,invalid,,,,,C(C(CO)O)O,
2.7.7.72,,,,,,,,,
,Family. Representative Entry is ,6Q52,,,,,,,
,,,2TM:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O,
2.7.7.39,,,,,,,,,
,Family. Representative Entry is ,1N1D,,,,,,,
,,,C2G:A:130,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O,
,,,C2G:B:230,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O,
,,,C2G:C:330,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O,
,,,C2G:D:430,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](CO)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1COZ,,,,,,,
,,,CTP:A:130,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:630,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
2.4.1.11,,,,,,,,,
,Family. Representative Entry is ,3NB0,,,,,,,
,,,G6P:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,PEG:A:1001,invalid,,,,,C(COCCO)O,
,,,PEG:B:1001,invalid,,,,,C(COCCO)O,
,,,PEG:B:1002,invalid,,,,,C(COCCO)O,
,,,PEG:B:706,invalid,,,,,C(COCCO)O,
,,,PEG:C:1001,invalid,,,,,C(COCCO)O,
,,,PEG:D:1002,invalid,,,,,C(COCCO)O,
3.5.2.1,,,,,,,,,
,Family. Representative Entry is ,5HY1,,,,,,,
,,,WDL:A:401,valid,,,,,c1(nc(nc(n1)O)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,NA:A:402,Part of Protein,,,,,[Na+],
3.1.26.-,,,,,,,,,
,Family. Representative Entry is ,1WDY,,,,,,,
,,,25A:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N,
1.7.2.1,,,,,,,,,
,Family. Representative Entry is ,1ZDQ,,,,,,,
,,,CU:A:1501,Part of Protein,,,,,[Cu+2],
,,,CU:A:1502,Part of Protein,,,,,[Cu+2],
,,,CU:B:1503,Part of Protein,,,,,[Cu+2],
,,,CU:B:1504,Part of Protein,,,,,[Cu+2],
,,,CU:C:1505,Part of Protein,,,,,[Cu+2],
,,,CU:C:1506,Part of Protein,,,,,[Cu+2],
,,,MSM:A:1507,valid,Kd,=,21.4,mM,CSC,
,,,MSM:B:1508,valid,Kd,=,21.4,mM,CSC,
,,,MSM:C:1509,valid,Kd,=,21.4,mM,CSC,
,,1ZDS,,,,,,,
,,,ACM:A:2500,valid,Kd,=,71.3,mM,CC(=O)N,
,,,ACM:A:2503,valid,Kd,=,71.3,mM,CC(=O)N,
,,,ACM:B:2501,valid,Kd,=,71.3,mM,CC(=O)N,
,,,ACM:B:2504,valid,Kd,=,71.3,mM,CC(=O)N,
,,,ACM:C:2502,valid,Kd,=,71.3,mM,CC(=O)N,
,,,ACM:C:2505,valid,Kd,=,71.3,mM,CC(=O)N,
,,,CU:A:1501,Part of Protein,,,,,[Cu+2],
,,,CU:A:1502,Part of Protein,,,,,[Cu+2],
,,,CU:B:1503,Part of Protein,,,,,[Cu+2],
,,,CU:B:1504,Part of Protein,,,,,[Cu+2],
,,,CU:C:1505,Part of Protein,,,,,[Cu+2],
,,,CU:C:1506,Part of Protein,,,,,[Cu+2],
,,2B08,,,,,,,
,,,ACM:A:1503,valid,,,,,CC(=O)N,
,,,ACM:A:1504,valid,,,,,CC(=O)N,
,,,ACM:B:2503,valid,,,,,CC(=O)N,
,,,ACM:C:3503,valid,,,,,CC(=O)N,
,,,CU1:A:1501,Part of Protein,,,,,[Cu+],
,,,CU1:A:1502,Part of Protein,,,,,[Cu+],
,,,CU1:A:1506,Part of Protein,,,,,[Cu+],
,,,CU1:B:2501,Part of Protein,,,,,[Cu+],
,,,CU1:B:2502,Part of Protein,,,,,[Cu+],
,,,CU1:B:2505,Part of Protein,,,,,[Cu+],
,,,CU1:C:3501,Part of Protein,,,,,[Cu+],
,,,CU1:C:3502,Part of Protein,,,,,[Cu+],
,,,CU1:C:3505,Part of Protein,,,,,[Cu+],
1.1.99.18,,,,,,,,,
,Family. Representative Entry is ,1NAA,,,,,,,
,,,6FA:A:801,valid,,,,,Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,6FA:B:1801,valid,,,,,Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ABL:A:901,valid,Ki,=,0.25,mM,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,,ABL:B:1901,valid,Ki,=,0.25,mM,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1KDG,,,,,,,
,,,6FA:A:6801,valid,,,,,Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,6FA:B:7801,valid,,,,,Cc1cc2c(c(c1C)O)N=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EMT:A:6907,invalid,,,,,CC[Hg]Sc1ccccc1C(=O)O,
,,,MAN:A:805,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:805,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:806,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:807,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UNX:B:904,invalid,,,,,*,
2.7.1.30,,,,,,,,,
,Family. Representative Entry is ,3WXL,,,,,,,
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,MG:D:604,invalid,,,,,[Mg+2],
,,,ADP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2W41,,,,,,,
,,,ADP:A:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:1503,invalid,,,,,C(CO)O,
,,,EDO:A:1504,invalid,,,,,C(CO)O,
,,,EDO:A:1505,invalid,,,,,C(CO)O,
,,,EDO:A:1506,invalid,,,,,C(CO)O,
,,,EDO:A:1507,invalid,,,,,C(CO)O,
,,,EDO:A:1508,invalid,,,,,C(CO)O,
,,,EDO:A:1509,invalid,,,,,C(CO)O,
,,,EDO:A:1510,invalid,,,,,C(CO)O,
,,,EDO:A:1511,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,EDO:B:1503,invalid,,,,,C(CO)O,
,,,EDO:B:1504,invalid,,,,,C(CO)O,
,,,EDO:B:1505,invalid,,,,,C(CO)O,
,,,EDO:B:1506,invalid,,,,,C(CO)O,
,,,EDO:B:1507,invalid,,,,,C(CO)O,
,,,EDO:B:1508,invalid,,,,,C(CO)O,
,,,EDO:B:1509,invalid,,,,,C(CO)O,
,,,EDO:B:1510,invalid,,,,,C(CO)O,
,,,EDO:B:1511,invalid,,,,,C(CO)O,
,,,EDO:B:1512,invalid,,,,,C(CO)O,
,,,EDO:B:1513,invalid,,,,,C(CO)O,
2.1.1.36,,,,,,,,,
,Family. Representative Entry is ,3MB5,,,,,,,
,,,ACT:A:266,invalid,,,,,CC(=O)[O-],
,,,EDO:A:260,invalid,,,,,C(CO)O,
,,,EDO:A:261,invalid,,,,,C(CO)O,
,,,EDO:A:262,invalid,,,,,C(CO)O,
,,,EDO:A:263,invalid,,,,,C(CO)O,
,,,EDO:A:264,invalid,,,,,C(CO)O,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:256,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LGA,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2PWY,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.135,,,,,,,,,
,Family. Representative Entry is ,1J0I,,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
6.3.2.6,,,,,,,,,
,Family. Representative Entry is ,4FE2,,,,,,,
,,,AIR:A:301,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,AIR:B:301,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,ADP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,144:A:304,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:B:304,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:307,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:308,invalid,,,,,C[N+](CO)(CO)CO,
,,,ASP:A:306,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2GQS,,,,,,,
,,,ADP:A:238,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:238,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,C2R:A:242,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,,C2R:B:242,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,,FMT:A:243,invalid,,,,,C(=O)O,
,,,FMT:B:243,invalid,,,,,C(=O)O,
,,,MG:A:239,Part of Protein,,,,,[Mg+2],
,,,MG:A:240,Part of Protein,,,,,[Mg+2],
,,,MG:A:241,Part of Protein,,,,,[Mg+2],
,,,MG:B:239,Part of Protein,,,,,[Mg+2],
,,,MG:B:240,Part of Protein,,,,,[Mg+2],
,,,MG:B:241,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1OBD,,,,,,,
,,,AMP:A:315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:A:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:310,invalid,,,,,[Mg+2],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OBG,,,,,,,
,,,AMP:A:309,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP SO4:A:307,valid,,,,,,
,,,MG:A:310,Part of Protein,,,,,[Mg+2],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6YB8,,,,,,,
,,,C2R:A:501,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,,C2R:B:802,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,,C2R:B:803,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,OK8:A:502,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,
,,6YB9,,,,,,,
,,,OK8:B:703,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,
,,,OK8:A:502,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O,
,,,MG:B:705,invalid,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2GQR,,,,,,,
,,,ADP:A:238,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:238,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:239,invalid,,,,,[Mg+2],
,,,MG:B:239,invalid,,,,,[Mg+2],
1.1.1.126,,,,,,,,,
,Family. Representative Entry is ,3AFN,,,,,,,
,,,NAP:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TBU:A:1001,invalid,,,,,CC(C)(C)O,
,,,TBU:B:1001,invalid,,,,,CC(C)(C)O,
,,,TBU:C:1001,invalid,,,,,CC(C)(C)O,
,,,TBU:D:1001,invalid,,,,,CC(C)(C)O,
2.5.1.56,,,,,,,,,
,Family. Representative Entry is ,2WQP,,,,,,,
,,,ACT:A:1352,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1356,invalid,,,,,C(CO)O,
,,,LMR:A:1357,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,MN:A:1351,Part of Protein,,,,,[Mn+2],
,,,WQP:A:1350,valid,Ki,=,3.1,uM,CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)OP(=O)(O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,6PPZ,,,,,,,
,,,MN9:A:401,valid,,,,,CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4IPI,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,LMR:A:402,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:403,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,4IPJ,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,LMR:A:402,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,6PPW,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MLT:A:702,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,6PPY,,,,,,,
,,,OVY:A:401,valid,,,,,CC(=O)N[C@H]([C@H](C/C(=NO)/C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,6PPX,,,,,,,
,,,MLT:A:701,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,1XUZ,,,,,,,
,,,MMN:A:3001,valid,,,,,CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,PEP:A:2001,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
1.14.14.18,,,,,,,,,
,Family. Representative Entry is ,5UC9,,,,,,,
,,,MYR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:D:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:C:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,5UCA,,,,,,,
,,,DAO:D:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:C:301,valid,,,,,CCCCCCCCCCCC(=O)O,
4.2.2.3,,,,,,,,,
,Family. Representative Entry is ,1HV6,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GCU MAV MAW:B:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C=1,
,,4F10,,,,,,,
,,,BEM BEM LGU MAW:C:1,valid,,,,,,
,,,BEM LGU:D:1,valid,,,,,,
,,4F13,,,,,,,
,,,BEM BEM:D:1,valid,,,,,,
,,,BEM BEM BEM MAW:C:1,valid,,,,,,
,Family. Representative Entry is ,3GNE,,,,,,,
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,3A0N,,,,,,,
,,,BDP:A:301,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,3IM0,,,,,,,
,,,BDP:A:301,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
1.8.4.8,,,,,,,,,
,Family. Representative Entry is ,2OQ2,,,,,,,
,,,A3P:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:C:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:D:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
1.4.99.4,,,,,,,,,
,Family. Representative Entry is ,2HJ4,,,,,,,
,,,PNZ:A:1203,valid,Kd,=,4.29,uM,c1cc(ccc1CN)[N+](=O)[O-],
,,,PNZ:D:1201,valid,Kd,=,4.29,uM,c1cc(ccc1CN)[N+](=O)[O-],
,,,PNZ:D:1202,valid,Kd,=,4.29,uM,c1cc(ccc1CN)[N+](=O)[O-],
,,,PNZ:H:1204,valid,Kd,=,4.29,uM,c1cc(ccc1CN)[N+](=O)[O-],
,,2AGW,,,,,,,
,,,TSS:D:3001,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,,TSS:H:2001,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,2IUQ,,,,,,,
,,,TSS:A:1433,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,,TSS:B:1434,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,2Q7Q,,,,,,,
,,,C2B:D:2002,valid,Kd,<,5,uM,c1cc(ccc1CN)Cl,
,,,C2B:H:2001,valid,Kd,<,5,uM,c1cc(ccc1CN)Cl,
,,2HXC,,,,,,,
,,,ABN:D:1369,valid,,,,,c1ccc(cc1)CN,
,,,ABN:D:1370,valid,,,,,c1ccc(cc1)CN,
,,,ABN:H:1301,valid,,,,,c1ccc(cc1)CN,
,,2HJB,,,,,,,
,,,PZM:A:1101,valid,Kd,=,40.3,uM,COc1ccc(cc1)CN,
,,,PZM:D:1102,valid,Kd,=,40.3,uM,COc1ccc(cc1)CN,
3.3.2.1,,,,,,,,,
,Family. Representative Entry is ,1NF8,,,,,,,
,,,BOG:A:250,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ISC:A:220,valid,Kd,=,0.015,uM,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,Family. Representative Entry is ,3R77,,,,,,,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:B:209,invalid,,,,,[Cl-],
,,,QLI:A:500,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O,
,,,QLI:B:500,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O,
2.1.1.6,,,,,,,,,
,Family. Representative Entry is ,3HVJ,,,,,,,
,,,705:A:1,valid,Ki,=,2,nM,CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O,
,,,705:B:2,valid,Ki,=,2,nM,CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O,
,,,BTB:A:267,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,MG:A:265,Part of Protein,,,,,[Mg+2],
,,,MG:B:265,Part of Protein,,,,,[Mg+2],
,,3OZT,,,,,,,
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,OZZ:A:223,valid,Ki,=,74.9,uM,c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)C=C3)O)O)O)O)[N+](=O)[O-],
,,3U81,,,,,,,
,,,K:A:223,Part of Protein,,,,,[K+],
,,,SAH:A:222,valid,Ki,=,36,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5K0F,,,,,,,
,,,NHE:A:301,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:301,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,6P1:A:302,valid,ic50,=,0.47,uM,Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC,
,,,6P1:B:302,valid,ic50,=,0.47,uM,Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC,
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3OZR,,,,,,,
,,,CL:A:223,invalid,,,,,[Cl-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,OZR:A:224,valid,Ki,=,7022,nM,c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H](CO2)O)O)O)O)[N+](=O)[O-],
,,5FHR,,,,,,,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,DNC:A:301,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,DNC:B:301,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,BR:A:304,invalid,,,,,[Br-],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6GY1,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,FGQ:A:303,valid,ic50,=,0.501,uM,Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3)O)F,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3R6T,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,DTD:A:308,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,LU1:A:307,valid,ic50,=,1368,nM,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,NHE:A:309,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CL5,,,,,,,
,,,BIE:A:1218,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O,
,,,BIE:B:1218,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O)O,
,,,BU3:A:1219,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1220,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:1219,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,MES:B:1215,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1216,Part of Protein,,,,,[Mg+2],
,,,MG:B:1216,Part of Protein,,,,,[Mg+2],
,,,SAM:A:1217,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1217,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4P58,,,,,,,
,,,2F6:A:301,valid,Kd,=,63,uM,Cc1c(cn(n1)C)c2cc[nH]n2,
,,4PYQ,,,,,,,
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,2X1:B:302,valid,ic50,=,4.4,uM,[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)N,
,,,2X1:A:301,valid,ic50,=,4.4,uM,[H]/N=C(/c1ccc(cc1)NC(=O)Nc2cccc(c2)CN)N,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,3OZS,,,,,,,
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,OZS:A:223,valid,Ki,=,4645,nM,c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cc(nc3)C(F)(F)F)O)O)O)O)[N+](=O)[O-],
,,4PYN,,,,,,,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,K:A:304,Part of Protein,,,,,[K+],
,,,SAH:A:300,valid,ic50,~,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,3NWE,,,,,,,
,,,662:A:227,valid,ic50,=,25,nM,CCCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)C)O,
,,,CL:A:223,invalid,,,,,[Cl-],
,,,CL:A:224,invalid,,,,,[Cl-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,NHE:A:228,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:A:225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:226,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PYL,,,,,,,
,,,TCW:A:303,valid,,,,,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,SFG:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,4PYO,,,,,,,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,SAH:B:301,valid,ic50,~,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,ic50,~,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,3NW9,,,,,,,
,,,637:A:228,valid,Ki,=,1,nM,Cc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O,
,,,CL:A:223,invalid,,,,,[Cl-],
,,,CL:A:224,invalid,,,,,[Cl-],
,,,CL:A:225,invalid,,,,,[Cl-],
,,,CL:A:226,invalid,,,,,[Cl-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,NHE:A:227,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,3OE4,,,,,,,
,,,610:A:223,valid,Ki,=,34,nM,c1c(cc(c(c1C(=O)NC/C=C/[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4)O)O)O)O)[N+](=O)[O-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,3NWB,,,,,,,
,,,659:A:226,valid,ic50,=,11,nM,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)/C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)F)O,
,,,CL:A:223,invalid,,,,,[Cl-],
,,,CL:A:224,invalid,,,,,[Cl-],
,,,CL:A:225,invalid,,,,,[Cl-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,NHE:A:227,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:A:228,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HVH,,,,,,,
,,,542:A:1,valid,Ki,=,3,nM,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:A:268,invalid,,,,,[Cl-],
,,,CXS:A:2,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:A:3,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,MG:A:265,Part of Protein,,,,,[Mg+2],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VID,,,,,,,
,,,DNC:A:302,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3OE5,,,,,,,
,,,611:A:223,valid,Ki,=,132,nM,c1cnccc1S[C@H]2[C@@H]([C@@H]([C@H](O2)/C=C/CNC(=O)c3cc(cc(c3O)O)[N+](=O)[O-])O)O,
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,3HVI,,,,,,,
,,,619:A:267,valid,Ki,=,5,nM,CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=CCNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O)O,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,D1D:A:268,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,NA:A:265,Part of Protein,,,,,[Na+],
,,2ZVJ,,,,,,,
,,,KOM:A:302,valid,,,,,c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3S68,,,,,,,
,,,CL:A:224,invalid,,,,,[Cl-],
,,,CL:A:225,invalid,,,,,[Cl-],
,,,CL:A:226,invalid,,,,,[Cl-],
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,SAM:A:228,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:223,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TCW:A:227,valid,,,,,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,5FHQ,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,DNC:A:302,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,4P7K,,,,,,,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,K:A:304,Part of Protein,,,,,[K+],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,TLA:A:301,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SFG:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,3HVK,,,,,,,
,,,719:A:267,valid,Ki,=,3,nM,c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC=C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5NCCO)O)O)F,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:265,invalid,,,,,[Cl-],
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,NHE:A:266,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,1H1D,,,,,,,
,,,BIA:A:335,valid,Ki,=,6,nM,c1cc(cc(c1)N2CCN(CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])C(F)(F)F,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3P9C,,,,,,,
,,,ACT:A:901,invalid,,,,,CC(=O)[O-],
,,,DTV:A:900,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3P9K,,,,,,,
,,,CIY:A:601,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,CIY:B:602,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,CIY:C:603,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,CIY:D:604,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3P9I,,,,,,,
,,,BME:A:1089,invalid,,,,,C(CS)O,
,,,BME:A:1295,invalid,,,,,C(CS)O,
,,,BME:B:2089,invalid,,,,,C(CS)O,
,,,BME:B:2295,invalid,,,,,C(CS)O,
,,,BME:C:3089,invalid,,,,,C(CS)O,
,,,BME:C:3295,invalid,,,,,C(CS)O,
,,,BME:D:4089,invalid,,,,,C(CS)O,
,,,BME:D:4295,invalid,,,,,C(CS)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SNY:A:601,valid,,,,,COc1cc(cc(c1O)OC)/C=C/C=O,
,,,SNY:B:602,valid,,,,,COc1cc(cc(c1O)OC)/C=C/C=O,
,,,SNY:C:603,valid,,,,,COc1cc(cc(c1O)OC)/C=C/C=O,
,,,SNY:D:604,valid,,,,,COc1cc(cc(c1O)OC)/C=C/C=O,
,Family. Representative Entry is ,4XUC,,,,,,,
,,,43G:A:301,valid,ic50,=,1100,nM,c1ccc(cc1)c2cccc(c2)N3C=CC(=O)C(=C3)O,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,3BWY,,,,,,,
,,,DNC:A:302,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4XUE,,,,,,,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,43J:B:301,valid,ic50,>,5000,nM,CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3,
,,,43J:A:301,valid,ic50,>,5000,nM,CN1C(=NC=C(C1=O)O)c2cccc(c2)c3ccccc3,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4XUD,,,,,,,
,,,43H:A:301,valid,ic50,=,200,nM,B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6I3C,,,,,,,
,,,DNC:A:303,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6I3D,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,DNC:B:301,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,DNC:A:301,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,SFG:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,3BWM,,,,,,,
,,,DNC:A:302,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
1.11.1.7,,,,,,,,,
,Family. Representative Entry is ,5CHR,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,4NC:B:202,valid,Kd,=,40,uM,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:A:204,valid,Kd,=,40,uM,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,OXY:A:205,invalid,,,,,O=O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CRE,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,F9G:A:203,valid,Kd,=,1745,uM,COc1ccc(cc1O)Br,
,,3LB3,,,,,,,
,,,4CH:A:191,valid,Kd,=,1.78,mM,c1cc(ccc1O)Cl,
,,,4CH:B:192,valid,Kd,=,1.78,mM,c1cc(ccc1O)Cl,
,,,HEM:A:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:196,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LB1,,,,,,,
,,,HEM:A:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IOL:A:191,valid,Kd,=,0.536,mM,c1cc(ccc1O)I,
,,,IOL:B:192,valid,Kd,=,0.536,mM,c1cc(ccc1O)I,
,,,SO4:A:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:196,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KMV,,,,,,,
,,,T6C:A:203,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:202,invalid,,,,,O=O,
,,6ONG,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MWM:B:404,valid,Kd,=,2970,uM,Cc1cc(ccc1O)F,
,,,MWM:A:202,valid,Kd,=,2970,uM,Cc1cc(ccc1O)F,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6OO8,,,,,,,
,,,HEM:B:1002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,PCI:A:202,valid,Kd,=,79,uM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:B:1003,valid,Kd,=,79,uM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FH7,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MOH:A:209,invalid,,,,,CO,
,,,MOH:A:211,invalid,,,,,CO,
,,,MOH:B:205,invalid,,,,,CO,
,,,MOH:B:204,invalid,,,,,CO,
,,,TBP:A:202,valid,Ki,=,0.51,mM,c1c(cc(c(c1Br)O)Br)Br,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:203,invalid,,,,,O=O,
,,4FH6,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TBP:A:203,valid,,,,,c1c(cc(c(c1Br)O)Br)Br,
,,,TBP:B:203,valid,,,,,c1c(cc(c(c1Br)O)Br)Br,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,OXY:B:205,invalid,,,,,O=O,
,,,OXY:A:204,invalid,,,,,O=O,
,,6CKE,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3Z7:A:202,valid,Kd,=,374,uM,COc1cc(ccc1O)Br,
,,6OO6,,,,,,,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,PCR:B:202,valid,Kd,=,2682,uM,Cc1ccc(cc1)O,
,,,PCR:A:202,valid,Kd,=,2682,uM,Cc1ccc(cc1)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6ONR,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,N0D:B:202,valid,Kd,=,309,uM,Cc1ccc(c(c1)C)O,
,,,N0D:A:202,valid,Kd,=,309,uM,Cc1ccc(c(c1)C)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:B:206,invalid,,,,,C(COCCO)O,
,,4KMW,,,,,,,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,T6C:A:202,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:B:202,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,3LB2,,,,,,,
,,,BML:A:191,valid,Kd,=,1.15,mM,c1cc(ccc1O)Br,
,,,BML:B:192,valid,Kd,=,1.15,mM,c1cc(ccc1O)Br,
,,,HEM:A:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HSX,,,,,,,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,BML:A:206,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:203,valid,,,,,c1cc(ccc1O)Br,
,,6CH5,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,F0M:A:208,valid,Kd,=,1341,uM,COc1cc(ccc1O)N(=O)=O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:209,invalid,,,,,C(COCCO)O,
,,6CH6,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,F0J:A:205,valid,,,,,COc1ccc(c(c1)OC)O,
,,4ILZ,,,,,,,
,,,IPA:A:210,invalid,,,,,CC(C)O,
,,,IPA:A:209,invalid,,,,,CC(C)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:A:206,invalid,,,,,CC(C)O,
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,IPA:A:207,invalid,,,,,CC(C)O,
,,,IPA:A:208,invalid,,,,,CC(C)O,
,,,OXY:A:212,invalid,,,,,O=O,
,,,TBP:A:211,valid,,,,,c1c(cc(c(c1Br)O)Br)Br,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6ONX,,,,,,,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MWJ:A:202,valid,Kd,=,86,uM,Cc1cc(ccc1O)Br,
,,,MWJ:B:703,valid,Kd,=,86,uM,Cc1cc(ccc1O)Br,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:A:209,invalid,,,,,C(COCCO)O,
,,4KN3,,,,,,,
,,,T6C:A:203,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:A:202,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:B:202,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6ONK,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MZG:A:202,valid,Kd,=,130,uM,Cc1cc(ccc1O)Cl,
,,,MZG:B:202,valid,Kd,=,130,uM,Cc1cc(ccc1O)Cl,
,,6I7F,,,,,,,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,5JC:B:202,valid,,,,,c1cc(c(cc1Cl)Cl)O,
,,,5JC:A:202,valid,,,,,c1cc(c(cc1Cl)Cl)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CHQ,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,NPO:B:204,valid,Kd,=,262,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:204,valid,Kd,=,262,uM,c1cc(ccc1[N+](=O)[O-])O,
,,6CO5,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F81:A:203,valid,Kd,=,1332,uM,COc1cccc(c1O)Br,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6I6G,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4N:A:204,valid,,,,,c1cc2c(cc[nH]2)cc1Br,
,,,H4N:B:202,valid,,,,,c1cc2c(cc[nH]2)cc1Br,
,,6ONZ,,,,,,,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,MYJ:B:202,valid,Kd,=,155,uM,Cc1cc(ccc1O)N(=O)=O,
,,,MYJ:A:202,valid,Kd,=,155,uM,Cc1cc(ccc1O)N(=O)=O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6OO1,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JZ0:B:404,valid,Kd,=,4594,uM,Cc1ccccc1O,
,,,JZ0:A:205,valid,Kd,=,4594,uM,Cc1ccccc1O,
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LB4,,,,,,,
,,,FPN:A:191,valid,Kd,=,3.72,mM,c1cc(ccc1O)F,
,,,FPN:B:192,valid,Kd,=,3.72,mM,c1cc(ccc1O)F,
,,,HEM:A:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:139,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:196,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2ATJ,,,,,,,
,,,BHO:A:353,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:B:353,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,CA:A:351,Part of Protein,,,,,[Ca+2],
,,,CA:A:352,Part of Protein,,,,,[Ca+2],
,,,CA:B:351,Part of Protein,,,,,[Ca+2],
,,,CA:B:352,Part of Protein,,,,,[Ca+2],
,,,HEM:A:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4ATJ,,,,,,,
,,,BHO:A:353,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:B:353,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,CA:A:351,Part of Protein,,,,,[Ca+2],
,,,CA:A:352,Part of Protein,,,,,[Ca+2],
,,,CA:B:351,Part of Protein,,,,,[Ca+2],
,,,CA:B:352,Part of Protein,,,,,[Ca+2],
,,,HEM:A:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,1HSR,,,,,,,
,,,BHO:A:800,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,CA:A:346,Part of Protein,,,,,[Ca+2],
,,,CA:A:347,Part of Protein,,,,,[Ca+2],
,,,HEM:A:345,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1CK6,,,,,,,
,,,BMA:A:350,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:346,Part of Protein,,,,,[Ca+2],
,,,CA:A:347,Part of Protein,,,,,[Ca+2],
,,,HEM:A:345,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SHA:A:900,valid,,,,,c1ccc(c(c1)C(=O)NO)O,
,Family. Representative Entry is ,5AOG,,,,,,,
,,,NAG FUC NAG BMA XYP MAN:C:1,invalid,,,,,,
,,,CA:A:1342,Part of Protein,,,,,[Ca+2],
,,,IAC:A:1345,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,NA:A:1343,Part of Protein,,,,,[Na+],
,,,HEM:A:1341,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,Family. Representative Entry is ,3KRQ,,,,,,,
,,,3TR:A:607,valid,Kd,=,0.55,uM,c1[nH]nc(n1)N,
,,,3TR:A:608,valid,Kd,=,0.55,uM,c1[nH]nc(n1)N,
,,,CA:A:656,Part of Protein,,,,,[Ca+2],
,,,HEM:A:655,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IOD:A:610,invalid,,,,,[I-],
,,,IOD:A:611,invalid,,,,,[I-],
,,,IOD:A:612,invalid,,,,,[I-],
,,,IOD:A:613,invalid,,,,,[I-],
,,,IOD:A:614,invalid,,,,,[I-],
,,,IOD:A:615,invalid,,,,,[I-],
,,,IOD:A:616,invalid,,,,,[I-],
,,,MRD:A:609,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,NAG NDG:E:1,Part of Protein,,,,,,
,,,PEG:A:6071,invalid,,,,,C(COCCO)O,
,,5FF1,,,,,,,
,,,NO3:A:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:611,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:611,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:610,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:612,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:613,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:612,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:610,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:608,Part of Protein,,,,,[Ca+2],
,,,CA:B:608,Part of Protein,,,,,[Ca+2],
,,,MMZ:B:601,valid,,,,,CN1C=CNC1=S,
,,,MMZ:A:601,valid,,,,,CN1C=CNC1=S,
,,,MMZ:A:602,valid,,,,,CN1C=CNC1=S,
,,,MMZ:B:613,valid,,,,,CN1C=CNC1=S,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:615,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:607,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:607,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5GLS,,,,,,,
,,,GOL:A:729,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:719,invalid,,,,,[I-],
,,,IOD:A:723,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:A:715,invalid,,,,,[I-],
,,,IOD:A:716,invalid,,,,,[I-],
,,,IOD:A:726,invalid,,,,,[I-],
,,,IOD:A:724,invalid,,,,,[I-],
,,,IOD:A:714,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:A:722,invalid,,,,,[I-],
,,,IOD:A:725,invalid,,,,,[I-],
,,,IOD:A:717,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:720,invalid,,,,,[I-],
,,,IOD:A:718,invalid,,,,,[I-],
,,,IOD:A:721,invalid,,,,,[I-],
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,OSM:A:727,valid,,,,,C(N)[S@@H]=O,
,,,OSM:A:728,valid,,,,,C(N)[S@@H]=O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,HEM:A:707,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SCN:A:708,invalid,,,,,C(#N)[S-],
,,5B72,,,,,,,
,,,IOD:A:805,invalid,,,,,[I-],
,,,IOD:A:818,invalid,,,,,[I-],
,,,IOD:A:816,invalid,,,,,[I-],
,,,IOD:A:817,invalid,,,,,[I-],
,,,IOD:A:815,invalid,,,,,[I-],
,,,IOD:A:814,invalid,,,,,[I-],
,,,IOD:A:804,invalid,,,,,[I-],
,,,IOD:A:819,invalid,,,,,[I-],
,,,IOD:A:803,invalid,,,,,[I-],
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:812,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OSM:A:802,valid,,,,,C(N)[S@@H]=O,
,,,PGE:A:806,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:807,invalid,,,,,C(COCCOCCO)O,
,,,CA:A:813,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:820,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3BXI,,,,,,,
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,HEM:A:613,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,NO3:A:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:610,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:611,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:612,invalid,,,,,[N+](=O)([O-])[O-],
,,,OSM:A:614,valid,,,,,C(N)[S@@H]=O,
,,,SCN:A:607,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,3OQS,,,,,,,
,,,VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN:B:201,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)C)CCCC[NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CC(=O)N,
,,6D7M,,,,,,,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,CL:B:604,invalid,,,,,[Cl-],
,,,SIN:B:605,valid,,,,,C(CC(=O)O)C(=O)O,
2.3.1.168,,,,,,,,,
,Family. Representative Entry is ,2II3,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:816,invalid,,,,,CC(=O)[O-],
,,,ACT:C:600,invalid,,,,,CC(=O)[O-],
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:C:814,invalid,,,,,CC(=O)[O-],
,,,ACT:D:600,invalid,,,,,CC(=O)[O-],
,,,ACT:D:601,invalid,,,,,CC(=O)[O-],
,,,ACT:D:602,invalid,,,,,CC(=O)[O-],
,,,ACT:E:600,invalid,,,,,CC(=O)[O-],
,,,ACT:E:815,invalid,,,,,CC(=O)[O-],
,,,ACT:F:600,invalid,,,,,CC(=O)[O-],
,,,ACT:F:601,invalid,,,,,CC(=O)[O-],
,,,ACT:F:813,invalid,,,,,CC(=O)[O-],
,,,ACT:G:600,invalid,,,,,CC(=O)[O-],
,,,ACT:H:600,invalid,,,,,CC(=O)[O-],
,,,ACT:H:601,invalid,,,,,CC(=O)[O-],
,,,ACT:H:602,invalid,,,,,CC(=O)[O-],
,,,CAO:A:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:B:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:C:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:D:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:E:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:F:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:G:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CAO:H:500,valid,Kd,=,3,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,CL:C:803,invalid,,,,,[Cl-],
,,,CL:C:807,invalid,,,,,[Cl-],
,,,CL:D:805,invalid,,,,,[Cl-],
,,,CL:E:806,invalid,,,,,[Cl-],
,,,CL:F:804,invalid,,,,,[Cl-],
,,,CL:F:808,invalid,,,,,[Cl-],
,,,CL:G:810,invalid,,,,,[Cl-],
,,,CL:G:811,invalid,,,,,[Cl-],
,,,CL:H:809,invalid,,,,,[Cl-],
,,,CL:H:812,invalid,,,,,[Cl-],
,,2II5,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,ACT:C:600,invalid,,,,,CC(=O)[O-],
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:D:600,invalid,,,,,CC(=O)[O-],
,,,ACT:D:601,invalid,,,,,CC(=O)[O-],
,,,ACT:E:600,invalid,,,,,CC(=O)[O-],
,,,ACT:E:601,invalid,,,,,CC(=O)[O-],
,,,ACT:F:600,invalid,,,,,CC(=O)[O-],
,,,ACT:F:601,invalid,,,,,CC(=O)[O-],
,,,ACT:G:600,invalid,,,,,CC(=O)[O-],
,,,ACT:G:601,invalid,,,,,CC(=O)[O-],
,,,ACT:H:600,invalid,,,,,CC(=O)[O-],
,,,ACT:H:601,invalid,,,,,CC(=O)[O-],
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:A:808,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:C:802,invalid,,,,,[Cl-],
,,,CL:D:809,invalid,,,,,[Cl-],
,,,CL:D:811,invalid,,,,,[Cl-],
,,,CL:E:804,invalid,,,,,[Cl-],
,,,CL:F:805,invalid,,,,,[Cl-],
,,,CL:G:807,invalid,,,,,[Cl-],
,,,CL:G:812,invalid,,,,,[Cl-],
,,,CL:H:801,invalid,,,,,[Cl-],
,,,CL:H:810,invalid,,,,,[Cl-],
,,,CO6:A:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:B:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:C:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:D:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:E:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:F:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:G:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO6:H:500,valid,,,,,CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.14.15.14,,,,,,,,,
,Family. Representative Entry is ,6T0J,,,,,,,
,,,FMT:A:511,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,MG:A:513,invalid,,,,,[Mg+2],
,,,MG:A:506,invalid,,,,,[Mg+2],
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,RWZ:A:502,valid,Kd,=,3.4,uM,CC(=CCC/C(=CCNCCNC1C2CC3CC(C2)CC1C3)/C)C,
,,2WM4,,,,,,,
,,,CA:A:1430,Part of Protein,,,,,[Ca+2],
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VGJ:A:1429,valid,,,,,CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CC(=O)O,
3.7.1.3,,,,,,,,,
,Family. Representative Entry is ,3E9K,,,,,,,
,,,3XH:A:467,valid,Ki,=,60,uM,c1cc(cc(c1)O)C(=O)NCC(=O)O,
,,,PLP:A:466,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
4.1.3.3,,,,,,,,,
,Family. Representative Entry is ,2WPB,,,,,,,
,,,ZZI:A:1298,valid,Ki,=,1.3,mM,CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O,
,,,ZZI:B:1297,valid,Ki,=,1.3,mM,CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O,
,,,ZZI:C:1297,valid,Ki,=,1.3,mM,CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O,
,,,ZZI:D:1297,valid,Ki,=,1.3,mM,CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O,
,,2WNZ,,,,,,,
,,,2OP:D:1296,valid,,,,,C[C@@H](C(=O)O)O,
,,,ETX:C:1298,invalid,,,,,CCOCCO,
,,,ETX:D:1297,invalid,,,,,CCOCCO,
,,,LAC:C:1297,valid,,,,,C[C@H](C(=O)O)O,
,,2XFW,,,,,,,
,,,1PE:A:1299,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1299,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PYR:A:1298,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1297,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1298,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1299,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1300,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:1298,valid,,,,,CC(=O)C(=O)O,
,,2WKJ,,,,,,,
,,,1PE:A:1297,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1297,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PYR:C:1298,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:1297,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,4BWL,,,,,,,
,,,SI3:A:1165,invalid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,SI3:B:1165,invalid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,SI3:D:1165,invalid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,MN9:C:1297,valid,,,,,CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,1PE:C:1298,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1297,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4IMG,,,,,,,
,,,ME2:A:504,invalid,,,,,CCOCCOCCOC,
,,,ME2:A:503,invalid,,,,,CCOCCOCCOC,
,,,ME2:A:502,invalid,,,,,CCOCCOCCOC,
,,,ME2:A:506,invalid,,,,,CCOCCOCCOC,
,,,ME2:B:504,invalid,,,,,CCOCCOCCOC,
,,,ME2:B:502,invalid,,,,,CCOCCOCCOC,
,,,ME2:B:503,invalid,,,,,CCOCCOCCOC,
,,,ME2:A:505,invalid,,,,,CCOCCOCCOC,
,,,NGF:B:501,valid,,,,,C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O,
,,,NGF:A:501,valid,,,,,C([C@@H]([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)NC(=O)CO)O)C(=O)C(=O)O,
,,4IMF,,,,,,,
,,,SI3:A:301,valid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,SI3:B:301,valid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,ME2:B:302,invalid,,,,,CCOCCOCCOC,
,,,ME2:A:302,invalid,,,,,CCOCCOCCOC,
,,,ME2:B:303,invalid,,,,,CCOCCOCCOC,
,,,IPA:A:305,invalid,,,,,CC(C)O,
,,,IPA:A:306,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,1F74,,,,,,,
,,,CL:C:999,invalid,,,,,[Cl-],
,,,GOL:A:933,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:934,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:931,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:932,invalid,,,,,C(C(CO)O)O,
,,,NAY:A:950,valid,Ki,=,0.9,mM,CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,NAY:C:951,valid,Ki,=,0.9,mM,CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,1F73,,,,,,,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,HMN:A:700,valid,Ki,=,4.1,mM,CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,HMN:B:701,valid,Ki,=,4.1,mM,CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,HMN:C:702,valid,Ki,=,4.1,mM,CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,HMN:D:703,valid,Ki,=,4.1,mM,CC(=O)N[C@H]([C@H](C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,5KZD,,,,,,,
,,,RCJ:A:301,valid,Ki,=,0.39,mM,CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,RCJ:B:301,valid,Ki,=,0.39,mM,CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,RCJ:C:301,valid,Ki,=,0.39,mM,CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,RCJ:D:301,valid,Ki,=,0.39,mM,CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
3.2.1.122,,,,,,,,,
,Family. Representative Entry is ,1U8X,,,,,,,
,,,G6P:X:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MN:X:700,Part of Protein,,,,,[Mn+2],
,,,NAD:X:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.2.1.45,,,,,,,,,
,Family. Representative Entry is ,1RKX,,,,,,,
,,,NAD:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1WVG,,,,,,,
,,,APR:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,CXY:A:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)O)O)O,
3.3.2.3,,,,,,,,,
,Family. Representative Entry is ,2CJP,,,,,,,
,,,EDO:B:1323,invalid,,,,,C(CO)O,
,,,PG4:A:1322,invalid,,,,,C(COCCOCCOCCO)O,
,,,VPR:B:1322,valid,Ki,=,0.8,mM,CCCC(CCC)C(=O)N,
,Family. Representative Entry is ,6KXH,,,,,,,
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,invalid,,,,,[Na+],
,,,DY9:C:402,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,DY9:A:401,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,DY9:D:402,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,DY9:B:402,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,MLT:A:402,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,7CLZ,,,,,,,
,,,MLT:A:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:403,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:402,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,DY9:A:401,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,DY9:C:401,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,DY9:D:401,valid,,,,,C[C@@]12[C@@H](O1)[C@@H](c3c(cc(c-4c3C(=O)c5c4c(ccc5)O)O)C2=O)O,
,,,NA:A:402,invalid,,,,,[Na+],
,,,NA:B:401,invalid,,,,,[Na+],
,,,BO3:C:402,invalid,,,,,B(O)(O)O,
,,,BO3:D:402,invalid,,,,,B(O)(O)O,
2.1.1.199,,,,,,,,,
,Family. Representative Entry is ,3TKA,,,,,,,
,,,CTN:A:500,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,PG4:A:700,invalid,,,,,C(COCCOCCOCCO)O,
,,,SAM:A:400,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
4.2.3.22,,,,,,,,,
,Family. Representative Entry is ,5DZ2,,,,,,,
,,,212:A:404,valid,,,,,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,
,,,212:B:404,valid,,,,,C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
4.1.99.1,,,,,,,,,
,Family. Representative Entry is ,5W19,,,,,,,
,,,9TD:C:503,valid,Ki,~,5,uM,Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O,
,,,9TD:B:501,valid,Ki,~,5,uM,Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O,
,,,9TD:A:502,valid,Ki,~,5,uM,Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O,
,,,9TD:D:501,valid,Ki,~,5,uM,Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[C-](C[C@@H]2c3ccccc3NC2=O)C(=O)O)O,
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:C:501,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
3.8.1.1,,,,,,,,,
,Family. Representative Entry is ,6BZT,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:D:602,invalid,,,,,[Cl-],
,,,CL:D:603,invalid,,,,,[Cl-],
,,,BR:A:606,invalid,,,,,[Br-],
,,,BR:A:603,invalid,,,,,[Br-],
,,,BR:B:604,invalid,,,,,[Br-],
,,,BR:D:604,invalid,,,,,[Br-],
,,,BR:C:604,invalid,,,,,[Br-],
,,,BR:C:603,invalid,,,,,[Br-],
,,,BR:A:604,invalid,,,,,[Br-],
,,,BR:B:603,invalid,,,,,[Br-],
,,,BR:A:605,invalid,,,,,[Br-],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6BZZ,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,CA:D:602,Part of Protein,,,,,[Ca+2],
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.4.3.2,,,,,,,,,
,Family. Representative Entry is ,2JB2,,,,,,,
,,,FAD:A:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PHE:A:1490,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:1490,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,2JAE,,,,,,,
,,,FAD:A:1490,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2JB1,,,,,,,
,,,ALA:A:1490,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:1490,valid,,,,,C[C@@H](C(=O)O)N,
,,,FAD:A:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2JB3,,,,,,,
,,,BE2:A:1490,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:1490,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,FAD:A:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1489,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2IID,,,,,,,
,,,FAD:A:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:525,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:523,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:F:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:G:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,PHE:A:526,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:524,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:526,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:526,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,1F8S,,,,,,,
,,,BE2:A:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:E:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:E:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:E:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:F:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:F:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:F:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:G:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:G:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:G:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:H:1544,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:H:1545,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:H:1546,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,FAD:A:520,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:521,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:522,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:523,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:524,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:525,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:526,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1F8R,,,,,,,
,,,CIT:A:526,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:526,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:526,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:526,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FAD:A:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:527,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:522,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:H:1,Part of Protein,,,,,,
,,,NAG NAG FUC:E:1,Part of Protein,,,,,,
,,,NAG NAG FUC:G:1,Part of Protein,,,,,,
,,,NAG NAG FUC:F:1,Part of Protein,,,,,,
,Family. Representative Entry is ,5YB7,,,,,,,
,,,ORN:D:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:603,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:603,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:603,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:603,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5YB6,,,,,,,
,,,LYS:B:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:603,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:604,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PG6:B:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:A:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:C:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:D:602,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,3WE0,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5YB8,,,,,,,
,,,ARG:C:601,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:601,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:602,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:601,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:602,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:603,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:602,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:601,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FAD:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1REO,,,,,,,
,,,CIT:A:487,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FAD:A:488,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:489,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:490,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
5.1.1.13,,,,,,,,,
,Family. Representative Entry is ,5B19,,,,,,,
,,,TLA:A:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5HRA,,,,,,,
,,,DAS:A:301,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,,,DAS:B:301,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,,5ELM,,,,,,,
,,,GLU:D:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,NO3:D:302,invalid,,,,,[N+](=O)([O-])[O-],
,,5HRC,,,,,,,
,,,ASP:A:301,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:301,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,NHE:A:302,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,Family. Representative Entry is ,2DX7,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
1.14.11.21,,,,,,,,,
,Family. Representative Entry is ,1DRY,,,,,,,
,,,AAG:A:331,valid,,,,,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O,
,,,AKG:A:330,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:332,Part of Protein,,,,,[Fe+2],
,,,GOL:A:328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:329,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DS1,,,,,,,
,,,AKG:A:330,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:341,Part of Protein,,,,,[Fe+2],
,,,PGO:A:331,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:332,invalid,,,,,C[C@@H](CO)O,
,,,SO4:A:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DRT,,,,,,,
,,,AKG:A:326,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:325,Part of Protein,,,,,[Fe+2],
,,,PCV:A:327,valid,,,,,C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O,
,,1GVG,,,,,,,
,,,AKG:A:326,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:325,Part of Protein,,,,,[Fe+3],
,,,HOA:A:332,invalid,,,,,NO,
,,,PCX:A:331,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N1CCC1=O,
,,,SO4:A:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:330,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.99.8,,,,,,,,,
,Family. Representative Entry is ,5K8P,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:H:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:G:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:F:501,Part of Protein,,,,,[Zn+2],
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,6R8:B:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
,,,6R8:A:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
,,,6R8:E:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
,,,6R8:G:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
,,,6R8:C:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
,,,6R8:H:502,valid,,,,,C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-],
1.21.3.1,,,,,,,,,
,Family. Representative Entry is ,1ODM,,,,,,,
,,,ASV:A:1332,valid,,,,,C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1336,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZKY,,,,,,,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,FE:A:1332,Part of Protein,,,,,[Fe+3],
,,,WT4:A:1333,valid,,,,,CSC[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N,
,,2Y6F,,,,,,,
,,,FE:A:1333,Part of Protein,,,,,[Fe+3],
,,,M9F:A:1332,valid,,,,,CC([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)SC,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HB2,,,,,,,
,,,FE2:A:1334,Part of Protein,,,,,[Fe+2],
,,,SCV:A:1332,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ODN,,,,,,,
,,,APV:A:1324,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H]([C@H](S2)CO)C(=O)O,
,,,FE2:A:1326,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VBB,,,,,,,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,GOL:A:1336,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAZ:A:1332,valid,,,,,CS[C@@H]([C@H](C(=O)O)OC(=O)[C@H](C[S@H]=O)NC(=O)CCC[C@@H](C(=O)O)N)O,
,,3ZKU,,,,,,,
,,,FE:A:1328,Part of Protein,,,,,[Fe+3],
,,,HCV:A:1329,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N,
,,2VBP,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VB1:A:1333,valid,,,,,CC[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,4BB3,,,,,,,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:1332,Part of Protein,,,,,[Fe+3],
,,,KKA:A:1333,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CCS)C(=O)O,
,,1QJE,,,,,,,
,,,ACV:A:1334,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1335,Part of Protein,,,,,[Fe+2],
,,,IP1:A:1333,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C,
,,,SO4:A:1332,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HB4,,,,,,,
,,,FE2:A:1334,Part of Protein,,,,,[Fe+2],
,,,SCV:A:1332,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BU9,,,,,,,
,,,FE:A:1332,Part of Protein,,,,,[Fe+3],
,,,HFV:A:1333,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@@H](C(C(F)(F)F)C(F)(F)F)C(=O)O,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W06,,,,,,,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,HOA:A:1334,invalid,,,,,NO,
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1337,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W05:A:1332,valid,,,,,C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,1OC1,,,,,,,
,,,ASV:A:1332,valid,,,,,C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HB1,,,,,,,
,,,FE2:A:1334,Part of Protein,,,,,[Fe+2],
,,,OCV:A:1332,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IVJ,,,,,,,
,,,BCV:A:1332,valid,,,,,C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1335,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JB4,,,,,,,
,,,A14:A:1332,valid,,,,,CC1([C@@H]([C@@H]2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C,
,,,FE:A:1333,Part of Protein,,,,,[Fe+3],
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VCM,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,M11:A:1333,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W04,,,,,,,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,HCG:A:1332,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O,
,,,HOA:A:1334,invalid,,,,,NO,
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W3X,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,W2X:A:1333,valid,,,,,C[C@H](CO)[C@H](C(=O)O)OC(=O)[C@H](C(=C)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,6Y0O,,,,,,,
,,,ACV:A:403,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,1HB3,,,,,,,
,,,FE2:A:1334,Part of Protein,,,,,[Fe+2],
,,,SCV:A:1332,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H](C(=O)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y60,,,,,,,
,,,FE:A:1333,Part of Protein,,,,,[Fe+3],
,,,GOL:A:1336,invalid,,,,,C(C(CO)O)O,
,,,M8F:A:1332,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W3V,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,MDZ:A:1333,valid,,,,,CC(C)[C@H](C(=O)O)OC(=O)[C@H]([C@@H](C)S)NC(=O)CCC[C@@H](C(=O)O)N,
,,1QJF,,,,,,,
,,,ACS:A:1333,valid,,,,,C[S@](=O)C[C@H](C(=O)O)N1[C@@H]([C@@H](C1=O)NC(=O)CCC[C@@H](C(=O)O)N)S,
,,,FE2:A:1334,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1332,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UZW,,,,,,,
,,,CDH:A:1333,valid,,,,,CC(=C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IVI,,,,,,,
,,,ACW:B:1332,valid,,,,,CC1(CC1)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:B:1335,Part of Protein,,,,,[Fe+2],
,,,SO4:B:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VAU,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,V20:A:1333,valid,,,,,CSC[C@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,1W03,,,,,,,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,HCG:A:1332,valid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)NCC(=O)O,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BK0,,,,,,,
,,,ACV:A:351,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE:A:350,Part of Protein,,,,,[Fe+3],
,,,SO4:A:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OBN,,,,,,,
,,,ASV:A:1332,valid,,,,,C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,HOA:A:1334,invalid,,,,,NO,
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZOI,,,,,,,
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2234,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2235,invalid,,,,,C(C(CO)O)O,
,,,M2W:A:1332,valid,,,,,C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC,
,,,FE:A:1333,Part of Protein,,,,,[Fe+3],
,,2VBD,,,,,,,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,,V10:A:1333,valid,,,,,CSC[C@@H](C(=O)O)OC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,1W05,,,,,,,
,,,FE2:A:1333,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W05:A:1332,valid,,,,,C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,2WO7,,,,,,,
,,,ASV:A:1333,valid,,,,,C=C[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE2:A:1332,Part of Protein,,,,,[Fe+2],
,,1QIQ,,,,,,,
,,,ACC:A:332,valid,,,,,CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+],
,,,FE:A:333,Part of Protein,,,,,[Fe+3],
,,,SO4:A:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BLZ,,,,,,,
,,,ACV:A:333,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N,
,,,FE:A:332,Part of Protein,,,,,[Fe+3],
,,,NO:A:334,invalid,,,,,[N]=O,
3.2.1.10,,,,,,,,,
,Family. Representative Entry is ,5WCZ,,,,,,,
,,,NOJ:A:601,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:601,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,4M56,,,,,,,
,,,GLO:B:603,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,GLO:A:601,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3AXI,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,GLC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3AXH,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3A4A,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,GLC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3LPP,,,,,,,
,,,BMA:B:3003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:8001,invalid,,,,,[Cl-],
,,,KTL:B:5001,valid,Ki,=,0.6,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O,
,,,KTL:D:5001,valid,Ki,=,0.6,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O,
,,,NAG:A:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:4001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:3001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:4001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PEG:A:7001,invalid,,,,,C(COCCO)O,
,,,PEG:B:7001,invalid,,,,,C(COCCO)O,
,,,PEG:C:7001,invalid,,,,,C(COCCO)O,
,,,PEG:D:7001,invalid,,,,,C(COCCO)O,
,,,TRS:A:6001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:6001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
2.4.1.255,,,,,,,,,
,Family. Representative Entry is ,6MA3,,,,,,,
,,,JAJ:A:1101,valid,Kd,=,0.005,uM,c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCC(=O)O,
,,4N39,,,,,,,
,,,UDP:A:1201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6MA4,,,,,,,
,,,JA7:A:1101,valid,Kd,=,0.045,uM,c1ccc(c(c1)[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4)OCCCCC(=O)O,
,,6MA5,,,,,,,
,,,J9V:A:1101,valid,Kd,~,140,nM,COc1ccccc1[C@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4,
,,6MA2,,,,,,,
,,,J9S:A:1101,valid,Kd,=,4.1,uM,COc1ccccc1[C@@H](C(=O)N(Cc2cccs2)CC(=O)O)NS(=O)(=O)c3ccc4c(c3)C=CC(=O)N4,
,Family. Representative Entry is ,4GYW,,,,,,,
,,,NAG:B:101,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:101,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5HGV,,,,,,,
,,,UDP:A:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:B:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GYY,,,,,,,
,,,12V:A:1501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,12V:C:1501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TAX,,,,,,,
,,,FOR:A:1250,invalid,,,,,C=O,
,,,FOR:C:1250,invalid,,,,,C=O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1212,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1212,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4GZ3,,,,,,,
,,,0YT:B:101,Part of Protein,,,,,CC(=O)NC1C(C(C(SC1O)CO)O)O,
,,,0YT:D:101,Part of Protein,,,,,CC(=O)NC1C(C(C(SC1O)CO)O)O,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3PE4,,,,,,,
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1212,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1212,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5VIF,,,,,,,
,,,UDP:A:1100,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,9C1:B:101,invalid,,,,,C(/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O)Cl,
,Family. Representative Entry is ,4N3A,,,,,,,
,,,UDP:A:1201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4N3B,,,,,,,
,,,12V:A:1501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,5BNW,,,,,,,
,,,12V:A:1101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,5NPR,,,,,,,
,,,K:A:1101,invalid,,,,,[K+],
,,,ACE VAL THR PRO VAL CYS THR ALA NH2 94T:E:1,valid,Ki,=,1.3,uM,,
,,5C1D,,,,,,,
,,,PO4:A:1102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,12V:A:1101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,6IBO,,,,,,,
,,,PO4:A:1102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,12V:A:1101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,LYS LYS VAL ALA VAL SER ARG ALA ALA:C:3,valid,,,,,,
,,5NPS,,,,,,,
,,,ACY VAL THR PRO VAL SER THR ALA NH2 94T:D:1,valid,Ki,=,7,uM,,
,,5LWV,,,,,,,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UDP:A:1201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
4.2.1.92,,,,,,,,,
,Family. Representative Entry is ,3DSK,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OCT:A:2,invalid,,,,,CCCCCCCC,
,,,OCT:B:5,invalid,,,,,CCCCCCCC,
,,,T25:A:601,valid,,,,,CCCCC[C@H]1[C@H](O1)CC=C/CCCCCCCC(=O)O,
,,2RCH,,,,,,,
,,,243:A:601,valid,,,,,CCCCC[C@@H](C=CC=C/CCCCCCCC(=O)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3DSJ,,,,,,,
,,,243:A:601,valid,,,,,CCCCC[C@@H](C=CC=C/CCCCCCCC(=O)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OCT:A:1,invalid,,,,,CCCCCCCC,
,,,OCT:A:2,invalid,,,,,CCCCCCCC,
,,,OCT:A:3,invalid,,,,,CCCCCCCC,
,,,OCT:B:5,invalid,,,,,CCCCCCCC,
,,2RCL,,,,,,,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,T25:A:601,valid,,,,,CCCCC[C@H]1[C@H](O1)CC=C/CCCCCCCC(=O)O,
,,3DSI,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OCT:A:2,invalid,,,,,CCCCCCCC,
,,,OCT:B:5,invalid,,,,,CCCCCCCC,
,,,T24:A:601,valid,,,,,CCC=C/C[C@@H](C=CC=C/CCCCCCCC(=O)O)O,
3.4.22.69,,,,,,,,,
,Family. Representative Entry is ,3AVZ,,,,,,,
,,,ACE SER ALA VAL ALC HSV:B:1,valid,ic50,=,65,nM,O=C(NC(C(O)=NC(C=O)Cc1nc[nH]c1)CC1CCCCC1)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)C)C(C)C,
,,4TWW,,,,,,,
,,,3A7:B:401,valid,ic50,=,63,uM,c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br,
,,,3A7:A:401,valid,ic50,=,63,uM,c1cc(ccc1C(=O)N2C[C@H]3CCCC[C@@H]3C[C@H]2CN[C@@H](Cc4cnc[nH]4)C=O)Br,
,,4WY3,,,,,,,
,,,3X5:A:401,valid,ic50,=,240,uM,c1ccc(cc1)c2ccc(cc2)C(=O)N3C[C@@H]4CCCC[C@H]4C[C@@H]3CN[C@@H](Cc5cnc[nH]5)C=O,
,,3AW0,,,,,,,
,,,ACE SER ALA VAL LEU HSV:B:1,valid,ic50,=,5.7,uM,O=C(NC(C(=O)NC(C=O)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)C)C(C)C,
,,2GZ7,,,,,,,
,,,D3F:A:307,valid,ic50,=,0.3,uM,Cc1cc(c(cc1Cl)Cl)S(=O)(=O)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],
,,4MDS,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,23H:A:401,valid,ic50,=,6.2,uM,CCC(C)(C)NC(=O)[C@@H](c1cccn1C)N(c2ccc(cc2)NC(=O)C)C(=O)Cn3c4ccccc4nn3,
,,2QIQ,,,,,,,
,,,CYV:A:302,valid,ic50,=,80,uM,CCOC(=O)CC[C@H](C[C@H]1CCNC1=O)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C,
,,6M2N,,,,,,,
,,,3WL:C:401,valid,Kd,=,4.03,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,,,3WL:A:401,valid,Kd,=,4.03,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,,,3WL:D:401,valid,Kd,=,4.03,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,,,3WL:B:401,valid,Kd,=,4.03,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,,3V3M,,,,,,,
,,,0EN:A:401,valid,ic50,=,4.8,uM,CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,2Z94,,,,,,,
,,,TLD:A:902,valid,,,,,Cc1ccc(c(c1)S)S,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,3ATW,,,,,,,
,,,ACE THR VAL ALC HSV:D:1,valid,ic50,=,98,nM,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CC1CCCCC1)C(C)C)C(NC(=O)C)C(O)C,
,,,ACE THR VAL ALC HSV:C:1,valid,ic50,=,98,nM,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CC1CCCCC1)C(C)C)C(NC(=O)C)C(O)C,
,,2GZ8,,,,,,,
,,,F3F:A:307,valid,ic50,=,3,uM,c1ccc(cc1)C#Cc2ccc(o2)C(=O)Sc3[nH]c(nn3)C(F)(F)F,
,,1UK4,,,,,,,
,,,ASN SER THR LEU GLN:G:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CO)C(O)C)CC(C)C)CCC(=O)N,
,,,ASN SER THR LEU GLN:K:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CO)C(O)C)CC(C)C)CCC(=O)N,
,,,ASN SER THR LEU GLN ATO:H:1,invalid,,,,,,
,,,ATO:A:1006,invalid,,,,,CC(=O)CCl,
4.1.2.22,,,,,,,,,
,Family. Representative Entry is ,3AI7,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:C:901,Part of Protein,,,,,[Ca+2],
,,,CA:D:901,Part of Protein,,,,,[Ca+2],
,,,CA:E:901,Part of Protein,,,,,[Ca+2],
,,,CA:F:901,Part of Protein,,,,,[Ca+2],
,,,CA:G:901,Part of Protein,,,,,[Ca+2],
,,,CA:H:901,Part of Protein,,,,,[Ca+2],
,,,TPP:A:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:H:900,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,3AHC,,,,,,,
,,,2PE:A:840,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,EDO:A:837,invalid,,,,,C(CO)O,
,,,EDO:A:838,invalid,,,,,C(CO)O,
,,,EDO:A:839,invalid,,,,,C(CO)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,,TPP:A:827,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3AHE,,,,,,,
,,,2PE:A:840,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,EDO:A:837,invalid,,,,,C(CO)O,
,,,EDO:A:838,invalid,,,,,C(CO)O,
,,,EDO:A:839,invalid,,,,,C(CO)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,,THD:A:827,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(S/C2=C(CO)/O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,3AHG,,,,,,,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,EDO:A:837,invalid,,,,,C(CO)O,
,,,EDO:A:838,invalid,,,,,C(CO)O,
,,,EDO:A:839,invalid,,,,,C(CO)O,
,,,HTD:A:827,valid,,,,,Cc1ncc2c(n1)N[C@@H]3[N@@](C2)C(=C(S3)CCO[P@](=O)(O)OP(=O)(O)O)C,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,3AHJ,,,,,,,
,,,EDO:A:828,invalid,,,,,C(CO)O,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,EDO:A:837,invalid,,,,,C(CO)O,
,,,EDO:A:838,invalid,,,,,C(CO)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,TPP:A:827,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3AHI,,,,,,,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,EDO:A:837,invalid,,,,,C(CO)O,
,,,EDO:A:838,invalid,,,,,C(CO)O,
,,,HTL:A:827,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,3AHF,,,,,,,
,,,GOL:A:829,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:830,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:831,invalid,,,,,C(C(CO)O)O,
,,,MG:A:827,Part of Protein,,,,,[Mg+2],
,,,PO4:A:828,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TPP:A:826,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3AHH,,,,,,,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,EDO:A:833,invalid,,,,,C(CO)O,
,,,EDO:A:834,invalid,,,,,C(CO)O,
,,,EDO:A:835,invalid,,,,,C(CO)O,
,,,EDO:A:836,invalid,,,,,C(CO)O,
,,,HTL:A:827,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:1397,Part of Protein,,,,,[Na+],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,,PG4:A:837,invalid,,,,,C(COCCOCCOCCO)O,
,,3AHD,,,,,,,
,,,EDO:A:829,invalid,,,,,C(CO)O,
,,,EDO:A:830,invalid,,,,,C(CO)O,
,,,EDO:A:831,invalid,,,,,C(CO)O,
,,,EDO:A:832,invalid,,,,,C(CO)O,
,,,HTL:A:827,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:826,Part of Protein,,,,,[Mg+2],
,,,NA:A:828,Part of Protein,,,,,[Na+],
2.4.1.10,,,,,,,,,
,Family. Representative Entry is ,1PT2,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6M0E,,,,,,,
,,,BDF:A:608,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:A:607,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:A:606,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:A:605,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,FRU:A:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,6RV5,,,,,,,
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:A:513,Part of Protein,,,,,[Zn+2],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,FRU FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
2.1.1.201,,,,,,,,,
,Family. Representative Entry is ,4OBW,,,,,,,
,,,SAM:D:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:602,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,TAM:A:601,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:D:602,invalid,,,,,C(CO)C(CCO)(CCO)N,
2.5.1.6,,,,,,,,,
,Family. Representative Entry is ,6RKA,,,,,,,
,,,PO4:D:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:D:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RK7,,,,,,,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:H:403,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:G:403,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:F:403,invalid,,,,,[Cl-],
,,,SAM:H:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:H:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:E:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:F:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:G:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:F:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:E:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:G:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1P7L,,,,,,,
,,,ANP:A:384,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:484,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:386,Part of Protein,,,,,[K+],
,,,K:B:486,Part of Protein,,,,,[K+],
,,,K:C:686,Part of Protein,,,,,[K+],
,,,K:D:886,Part of Protein,,,,,[K+],
,,,MET:A:485,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:385,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MG:A:387,Part of Protein,,,,,[Mg+2],
,,,MG:A:388,Part of Protein,,,,,[Mg+2],
,,,MG:B:487,Part of Protein,,,,,[Mg+2],
,,,MG:B:488,Part of Protein,,,,,[Mg+2],
,,,MG:C:688,Part of Protein,,,,,[Mg+2],
,,,MG:C:887,Part of Protein,,,,,[Mg+2],
,,,MG:D:687,Part of Protein,,,,,[Mg+2],
,,,MG:D:888,Part of Protein,,,,,[Mg+2],
,,,PPK:C:684,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:D:884,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,SAM:C:685,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:885,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1RG9,,,,,,,
,,,K:A:386,Part of Protein,,,,,[K+],
,,,K:B:486,Part of Protein,,,,,[K+],
,,,K:C:586,Part of Protein,,,,,[K+],
,,,K:D:686,Part of Protein,,,,,[K+],
,,,MG:A:387,Part of Protein,,,,,[Mg+2],
,,,MG:A:388,Part of Protein,,,,,[Mg+2],
,,,MG:B:487,Part of Protein,,,,,[Mg+2],
,,,MG:B:488,Part of Protein,,,,,[Mg+2],
,,,MG:C:588,Part of Protein,,,,,[Mg+2],
,,,MG:C:687,Part of Protein,,,,,[Mg+2],
,,,MG:D:587,Part of Protein,,,,,[Mg+2],
,,,MG:D:688,Part of Protein,,,,,[Mg+2],
,,,PPK:A:384,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:B:484,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:C:584,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:D:684,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,SAM:A:385,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:485,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:585,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:685,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5UGH,,,,,,,
,,,8AJ:C:401,valid,Kd,=,170,nM,CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl,
,,,8AJ:B:402,valid,Kd,=,170,nM,CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl,
,,,8AJ:A:401,valid,Kd,=,170,nM,CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl,
,,,8AJ:B:401,valid,Kd,=,170,nM,CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl,
,,5A1G,,,,,,,
,,,MPD:A:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,K:A:405,Part of Protein,,,,,[K+],
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,PPK:A:402,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,S7M:A:404,valid,,,,,CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5A19,,,,,,,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:400,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,PPK:A:403,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,K:A:410,Part of Protein,,,,,[K+],
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,6FBP,,,,,,,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,K:B:405,Part of Protein,,,,,[K+],
,,,K:A:404,invalid,,,,,[K+],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,PPK:B:401,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,ADN:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6G6R,,,,,,,
,,,PPK:A:401,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,SAM:A:406,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,K:A:405,invalid,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,6FCD,,,,,,,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ADN:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PPV:A:406,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,6P9V,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,POP:A:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,5A1I,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,SAM:A:405,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,K:A:404,invalid,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,PPK:A:400,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PG4:A:412,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,ADN:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6FBO,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,PPK:A:401,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,K:A:405,invalid,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,ADN:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,6VD1,,,,,,,
,,,SAM:B:409,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:409,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,1PE:A:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,PGR:B:403,invalid,,,,,C[C@H](CO)O,
,,,PPK:B:401,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:A:401,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PDO:B:402,invalid,,,,,C(CO)CO,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,PGE:A:408,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:408,invalid,,,,,C(COCCOCCO)O,
,,,K:A:405,Part of Protein,,,,,[K+],
,,,K:B:406,Part of Protein,,,,,[K+],
,,,MPO:B:407,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:406,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,PE8:B:405,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,6VCY,,,,,,,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MTA:A:406,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,6VD2,,,,,,,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PE8:A:411,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,MG  PO4:A:407,invalid,,,,,,
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PGE:A:408,invalid,,,,,C(COCCOCCO)O,
,,,MPO:A:409,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:407,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6VD0,,,,,,,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:406,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,invalid,,,,,[Mg+2],
,,,APC:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,K:A:406,Part of Protein,,,,,[K+],
,,,K:B:405,Part of Protein,,,,,[K+],
,,,K:D:404,Part of Protein,,,,,[K+],
,,,K:C:407,Part of Protein,,,,,[K+],
,,,MPO:A:408,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:C:408,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:407,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:405,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,PG4:C:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4NDN,,,,,,,
,,,PPK:A:406,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,PPK:C:404,valid,,,,,N(P(=O)(O)O)[P@](=O)(O)OP(=O)(O)O,
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:D:401,invalid,,,,,[Mg+2],
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:E:401,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,SAM:A:407,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:405,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4L7I,,,,,,,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,DPO:B:504,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4L2Z,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,DPO:B:502,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,S7M:B:501,valid,,,,,CC[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4K0B,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,DPO:B:502,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:B:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6S83,,,,,,,
,,,MG:H:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:506,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:H:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:506,invalid,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:507,invalid,,,,,[Mg+2],
,,,MG:H:506,Part of Protein,,,,,[Mg+2],
,,,MG:F:507,invalid,,,,,[Mg+2],
,,,MG:H:507,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:505,Part of Protein,,,,,[Mg+2],
,,,MG:F:506,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MDN:H:501,valid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,MDN:E:501,valid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,MDN:C:501,valid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,MDN:A:501,valid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACP:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:F:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:H:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SAM:E:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6LTV,,,,,,,
,,,EU9:A:503,valid,,,,,c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O,
,,,EU9:B:503,valid,,,,,c1ccc(c(c1)C[S+](CC[C@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N(=O)=O,
,,,3PO:B:501,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,3PO:A:501,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
3.5.4.10,,,,,,,,,
,Family. Representative Entry is ,2NTK,,,,,,,
,,,IMP:A:205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:208,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
2.6.1.36,,,,,,,,,
,Family. Representative Entry is ,2CJH,,,,,,,
,,,AKG:A:1451,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,PLP:A:1450,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CJG,,,,,,,
,,,PMP:A:1450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
1.7.1.6,,,,,,,,,
,Family. Representative Entry is ,2Z9C,,,,,,,
,,,DTC:A:202,valid,,,,,c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,2Z9D,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2D5I,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,2Z98,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1V4B,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,2Z9B,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
6.3.2.3,,,,,,,,,
,Family. Representative Entry is ,5OES,,,,,,,
,,,3GC:D:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:B:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:F:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:A:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:C:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:E:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,ADP:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3KAL,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HGS:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N,
,,,HGS:A:506,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N,
,,,HGS:B:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N,
,,,HGS:B:506,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KAK,,,,,,,
,,,3GC:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:B:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:B:502,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1GSA,,,,,,,
,,,ADP:A:317,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GSH:A:318,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:319,Part of Protein,,,,,[Mg+2],
,,,MG:A:320,Part of Protein,,,,,[Mg+2],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2HGS,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GSH:A:503,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1M0W,,,,,,,
,,,3GC:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:B:1501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,ANP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
5.99.1.3,,,,,,,,,
,Family. Representative Entry is ,1ZXM,,,,,,,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:904,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TTZ,,,,,,,
,,,07N:A:1,valid,ic50,=,0.004,uM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl,
,,,07N:B:2,valid,ic50,=,0.004,uM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2F)c3ncc(s3)C(=O)O)Cl)Cl,
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:235,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:234,Part of Protein,,,,,[Mg+2],
,,,MG:B:235,Part of Protein,,,,,[Mg+2],
,,5D7D,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,57X:A:307,valid,,,,,CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O,
,,,57X:B:308,valid,,,,,CCCN1c2c(c(n[nH]2)c3cnc(s3)c4cccnc4)C=CC1=O,
,,5CTY,,,,,,,
,,,55H:B:305,valid,ic50,=,0.265,uM,c1cc(cnc1)c2ncc(s2)c3c4c(n[nH]3)NC(=O)C=C4,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,5D7R,,,,,,,
,,,57Y:A:306,valid,ic50,=,0.013,uM,CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O,
,,,57Y:B:307,valid,ic50,=,0.013,uM,CCCc1c(ccc2c1n[nH]c2c3cnc(s3)c4cc(c(nc4)C(=O)O)O)O,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MPD:B:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,5CTW,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MPD:B:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:306,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,55D:A:301,valid,,,,,CCCC(=O)Nc1c(ccs1)C(=O)N,
,,,55D:B:301,valid,,,,,CCCC(=O)Nc1c(ccs1)C(=O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,5CTU,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,54X:B:303,valid,,,,,c1cc(sc1)c2csc3c2C(=O)N=CN3,
,,,54X:A:303,valid,,,,,c1cc(sc1)c2csc3c2C(=O)N=CN3,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,3U2D,,,,,,,
,,,08B:A:1,valid,,,,,Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br,
,,,08B:B:2,valid,,,,,Cc1c(cc([nH]1)C(=O)NC2CCN(CC2)c3c(cccn3)[N+](=O)[O-])Br,
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:235,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:234,Part of Protein,,,,,[Mg+2],
,,5CTX,,,,,,,
,,,55G:B:303,valid,ic50,=,1.32,uM,c1ccc(cc1)C2=CC(=O)Nc3c2c([nH]n3)c4cnc(s4)c5cccnc5,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,5D6Q,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,57V:B:303,valid,ic50,=,5.8,uM,CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)/C=C/c3cccnc3,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,3U2K,,,,,,,
,,,087:A:1,valid,,,,,Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl,
,,,087:B:2,valid,,,,,Cc1c(c(c([nH]1)C(=O)NC2CCN(CC2)c3cc(cc(n3)Cl)C(=O)N)Cl)Cl,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,,MG:B:5,Part of Protein,,,,,[Mg+2],
,,,MG:B:6,Part of Protein,,,,,[Mg+2],
,,5D6P,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,57U:A:301,valid,ic50,=,2.5,uM,CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO,
,,,57U:B:301,valid,ic50,=,2.5,uM,CCNC(=O)Nc1nc(c(s1)c2ccc[nH]2)CO,
,,5Z9P,,,,,,,
,,,AX7:A:301,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,,AX7:B:301,valid,,,,,c1ccc2c(c1)[nH]c(n2)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5D7C,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,57W:A:303,valid,ic50,=,0.14,uM,CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4,
,,,57W:B:303,valid,ic50,=,0.14,uM,CCNC(=O)Nc1cn(c2c1ncc(c2)c3cccnc3)c4ccccn4,
,,,MG:B:309,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:308,Part of Protein,,,,,[Mg+2],
,,,MG:B:310,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,6TCK,,,,,,,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,N1N:B:301,valid,,,,,Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl,
,,,N1N:A:301,valid,,,,,Cc1c(c(c([nH]1)C(=O)Nc2nc3c(cc(cc3s2)C(=O)O)OCc4ccccc4)Cl)Cl,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,IMD:B:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,DMS:B:307,invalid,,,,,CS(=O)C,
,,5CPH,,,,,,,
,,,EVO:B:302,valid,,,,,c1ccc2c(c1)/C(=Cc3cccnc3)/C(=O)N2,
,,,EVO:A:301,valid,,,,,c1ccc2c(c1)/C(=Cc3cccnc3)/C(=O)N2,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ENH,,,,,,,
,,,BHW:A:401,valid,,,,,Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,1KIJ,,,,,,,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:B:441,invalid,,,,,C(=O)O,
,,,NOV:A:400,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:B:444,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,Family. Representative Entry is ,4ZVI,,,,,,,
,,,4S4:A:401,valid,Kd,=,0.47,uM,c1cc(ccc1C(=O)NCC(=O)O)NC(=O)c2cc(c([nH]2)Br)Br,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,4WUB,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4PRX,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6ENG,,,,,,,
,,,K:A:407,Part of Protein,,,,,[K+],
,,,K:A:408,Part of Protein,,,,,[K+],
,,,K:A:406,Part of Protein,,,,,[K+],
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,BHW:B:401,valid,,,,,Cc1ccc([nH]1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O,
,,4XTJ,,,,,,,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1EI1,,,,,,,
,,,ANP:A:394,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:794,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:2031,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1031,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1081,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2081,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PU9,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:A:401,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,4WUC,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4PRV,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4WUD,,,,,,,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4HY1,,,,,,,
,,,19X:B:1401,valid,Ki,=,2,nM,CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl,
,,,19X:A:1401,valid,Ki,=,2,nM,CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4ccc5c(c4)C(=O)N=C5)Cl,
,,4HYM,,,,,,,
,,,CJC:A:401,valid,Ki,=,6,nM,CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl,
,Family. Representative Entry is ,4GGL,,,,,,,
,,,CJC:A:301,valid,Ki,<,1,nM,CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nc4)N=CC(=O)N5)Cl,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,4GEE,,,,,,,
,,,0WT:A:301,valid,Ki,<,1,nM,CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Oc5cncnc5)Cl,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,4HXW,,,,,,,
,,,1A0:A:301,valid,Ki,=,2,nM,CCc1c(c2c([nH]1)nc(nc2N3CC[C@H](C3)N)Sc4cc5c(nccn5)nc4)Cl,
,,,TBU:A:302,invalid,,,,,CC(C)(C)O,
,,4GFN,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,SUY:A:301,valid,Ki,=,5,nM,CCc1c(c2c([nH]1)nc(nc2N3C[C@@H]4[C@H](C3)C4N)Sc5cncnc5)Cl,
,Family. Representative Entry is ,2HKJ,,,,,,,
,,,DMS:A:472,invalid,,,,,CS(=O)C,
,,,MG:A:471,Part of Protein,,,,,[Mg+2],
,,,RDC:A:501,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,1Z5B,,,,,,,
,,,ALF ADP:A:3001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF ADP:B:3002,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Z59,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,1Z5A,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,1MX0,,,,,,,
,,,ANP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:920,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:930,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:940,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:950,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,NA:D:901,Part of Protein,,,,,[Na+],
,,1Z5C,,,,,,,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3002,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4P8O,,,,,,,
,,,883:A:301,valid,,,,,CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4,
,,,883:B:301,valid,,,,,CCNC(=O)Nc1[nH]c2c(cc(cc2n1)c3cc(cnc3)F)c4ncccn4,
,Family. Representative Entry is ,4CKL,,,,,,,
,,,SM8:A:1522,valid,Kd,=,44,nM,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C,
,Family. Representative Entry is ,4B6C,,,,,,,
,,,B5U:B:1256,valid,ic50,=,0.69,uM,Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C,
,,,B5U:A:1256,valid,ic50,=,0.69,uM,Cc1ccc(cc1C)c2cnc(c(n2)C(=O)N)Nc3ccc(cc3)OCCCN4CCN(CC4)C,
,,,NA:A:1257,Part of Protein,,,,,[Na+],
,,,NA:B:1257,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1QZR,,,,,,,
,,,ANP:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CDX:B:901,valid,,,,,C[C@H](CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2,
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:905,Part of Protein,,,,,[Mg+2],
,,1PVG,,,,,,,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:904,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4BAE,,,,,,,
,,,RWX:C:1256,valid,ic50,=,3,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl,
,,,RWX:A:1256,valid,ic50,=,3,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl,
,,,RWX:B:1255,valid,ic50,=,3,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl,
,,,RWX:D:1257,valid,ic50,=,3,nM,Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN(C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br)Cl,
,,,GLY LYS HIS ARG VAL PHE HIS TYR PRO:C:246,Part of Protein,,,,,,
,,,GLY LYS HIS ARG VAL PHE HIS TYR PRO:B:246,Part of Protein,,,,,,
,,,GLY LYS HIS ARG VAL PHE HIS TYR PRO:A:246,Part of Protein,,,,,,
,,,CA:D:1256,invalid,,,,,[Ca+2],
,,,CA:D:1259,invalid,,,,,[Ca+2],
,,,CA:A:1255,invalid,,,,,[Ca+2],
,,,CA:C:1255,invalid,,,,,[Ca+2],
,,,SO4:A:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1256,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY LYS HIS ARG VAL PHE HIS TYR PRO GLY:D:246,Part of Protein,,,,,,
2.5.1.78,,,,,,,,,
,Family. Representative Entry is ,4KQ6,,,,,,,
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:E:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,DLZ:I:204,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,,DLZ:C:204,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,Family. Representative Entry is ,1NQU,,,,,,,
,,,PO4:A:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RDL:A:1201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:B:2201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:C:3201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:D:4201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:E:5201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,1NQX,,,,,,,
,,,PO4:A:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RLP:A:1201,valid,,,,,C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,RLP:B:2201,valid,,,,,C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,RLP:C:3201,valid,,,,,C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,RLP:D:4201,valid,,,,,C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,RLP:E:5201,valid,,,,,C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,1NQW,,,,,,,
,,,5YL:A:1201,valid,,,,,C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,5YL:B:2201,valid,,,,,C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,5YL:C:3201,valid,,,,,C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,5YL:D:4201,valid,,,,,C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,5YL:E:5201,valid,,,,,C(CCC1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,1NQV,,,,,,,
,,,LMZ:A:1201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O,
,,,LMZ:B:2201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O,
,,,LMZ:C:3201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O,
,,,LMZ:D:4201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O,
,,,LMZ:E:5201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=O,
,,,PO4:A:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5251,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2F59,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,INI:A:201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:B:202,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:C:203,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:D:204,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:E:205,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,Family. Representative Entry is ,1KYV,,,,,,,
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RBF:A:501,valid,Kd,=,1.2,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:502,valid,Kd,=,1.2,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:C:503,valid,Kd,=,1.2,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:D:504,valid,Kd,=,1.2,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:E:505,valid,Kd,=,1.2,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,1KYY,,,,,,,
,,,INI:A:201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:B:202,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:C:203,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:D:204,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:E:205,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1EJB,,,,,,,
,,,INJ:A:200,valid,,,,,C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,INJ:B:300,valid,,,,,C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,INJ:C:400,valid,,,,,C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,INJ:D:600,valid,,,,,C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
,,,INJ:E:800,valid,,,,,C(CCc1c(nc(nc1O)O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O)CCP(=O)(O)O,
1.13.11.4,,,,,,,,,
,Family. Representative Entry is ,3NKT,,,,,,,
,,,1HN:A:370,valid,,,,,c1ccc2c(c1)ccc(c2O)C(=O)O,
,,,FE2:A:369,Part of Protein,,,,,[Fe+2],
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,3NL1,,,,,,,
,,,FE2:A:369,Part of Protein,,,,,[Fe+2],
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GTQ:A:370,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,3NJZ,,,,,,,
,,,FE2:A:369,Part of Protein,,,,,[Fe+2],
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,SAL:A:370,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,4FAG,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GTQ:A:402,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
3.2.1.70,,,,,,,,,
,Family. Representative Entry is ,2ZID,,,,,,,
,,,CA:A:880,Part of Protein,,,,,[Ca+2],
,,,CA:A:881,Part of Protein,,,,,[Ca+2],
,,,CA:A:882,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1ULV,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:A:2002,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2005,Part of Protein,,,,,[Ca+2],
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,GLC AC1:B:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
2.4.2.7,,,,,,,,,
,Family. Representative Entry is ,5VJN,,,,,,,
,,,IR8:A:201,valid,Ki,=,8.7,uM,C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,IR8:B:201,valid,Ki,=,8.7,uM,C([C@@H]1[C@H]([C@H]([C@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,ADE:A:205,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5VJP,,,,,,,
,,,IR9:A:201,valid,Ki,=,14.9,uM,C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,IR9:B:201,valid,Ki,=,14.9,uM,C([C@H]1[C@H]([C@H]([C@@H](N1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,ADE:B:207,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,6HGS,,,,,,,
,,,5GP:A:200,valid,Ki,=,170,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:200,valid,Ki,=,170,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6HGR,,,,,,,
,,,IMP:B:200,valid,Ki,=,350,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:200,valid,Ki,=,350,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,6FD4,,,,,,,
,,,MG:B:200,invalid,,,,,[Mg+2],
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,PRP:B:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,6FCL,,,,,,,
,,,AMP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6FCH,,,,,,,
,,,MG:B:200,invalid,,,,,[Mg+2],
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,PRP:B:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,6FD6,,,,,,,
,,,PPV:B:203,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:A:201,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,AMP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:B:202,invalid,,,,,[Mg+2],
,,6HGQ,,,,,,,
,,,HPA:A:204,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:D:202,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:C:202,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:B:202,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,PRP:D:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:203,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:C:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:200,invalid,,,,,[Mg+2],
,,,MG:D:200,invalid,,,,,[Mg+2],
,,,MG:C:200,invalid,,,,,[Mg+2],
,,1ZN8,,,,,,,
,,,AMP:A:1031,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1032,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:B:1030,invalid,,,,,[Cl-],
,,6FD5,,,,,,,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,PPV:A:202,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:203,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,PRP:B:200,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,1ZN7,,,,,,,
,,,ADE:A:655,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:656,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,HSX:A:506,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,HSX:B:507,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,MG  PO4:A:500,invalid,,,,,,
,,,PRP:A:505,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:502,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:500,invalid,,,,,[Mg+2],
,,1ORE,,,,,,,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,6FCI,,,,,,,
,,,MG:D:200,invalid,,,,,[Mg+2],
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,MG:C:200,invalid,,,,,[Mg+2],
,,,MG:D:200,invalid,,,,,[Mg+2],
,,,MG:B:200,invalid,,,,,[Mg+2],
,,,MG:A:200,invalid,,,,,[Mg+2],
,,,PRP:B:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:C:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:D:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,ADE:C:202,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:202,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:A:202,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:202,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1ZN9,,,,,,,
,,,AMP:B:1031,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1MZV,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5YW5,,,,,,,
,,,ADE:C:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:A:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,1L1Q,,,,,,,
,,,9DA:A:201,valid,,,,,c1c[nH]c2c1ncnc2N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1L1R,,,,,,,
,,,9DA:A:201,valid,,,,,c1c[nH]c2c1ncnc2N,
,,,MG:A:400,invalid,,,,,[Mg+2],
,,,PRP:A:301,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
3.6.1.14,,,,,,,,,
,Family. Representative Entry is ,2V7Q,,,,,,,
,,,ADP:D:1478,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1512,Part of Protein,,,,,[Mg+2],
,,,MG:B:1512,Part of Protein,,,,,[Mg+2],
,,,MG:C:1512,Part of Protein,,,,,[Mg+2],
,,,MG:D:1479,Part of Protein,,,,,[Mg+2],
,,,MG:F:1476,Part of Protein,,,,,[Mg+2],
,,,PO4:E:1475,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.23.29,,,,,,,,,
,Family. Representative Entry is ,1WKR,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:801,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.7.6,,,,,,,,,
,Family. Representative Entry is ,1TWF,,,,,,,
,,,MN:A:3009,Part of Protein,,,,,[Mn+2],
,,,MN:A:3010,Part of Protein,,,,,[Mn+2],
,,,UTP:B:3571,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:3006,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3007,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:I:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:3004,Part of Protein,,,,,[Zn+2],
,,,ZN:J:3001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:3005,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2BE5,,,,,,,
,,,MG:C:9004,Part of Protein,,,,,[Mg+2],
,,,MG:D:9003,Part of Protein,,,,,[Mg+2],
,,,MG:N:9005,Part of Protein,,,,,[Mg+2],
,,,MG:N:9006,Part of Protein,,,,,[Mg+2],
,,,TGT:D:9001,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N,
,,,TGT:N:9002,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H]([C@]2(CS[C@]([C@@H]1O2)(C(=O)N)O)C(=O)O)OP(=O)(O)O)N,
,,,ZN:D:9058,Part of Protein,,,,,[Zn+2],
,,,ZN:D:9112,Part of Protein,,,,,[Zn+2],
,,,ZN:N:9059,Part of Protein,,,,,[Zn+2],
,,,ZN:N:9113,Part of Protein,,,,,[Zn+2],
,,2A6H,,,,,,,
,,,MG:D:9001,Part of Protein,,,,,[Mg+2],
,,,MG:N:9002,Part of Protein,,,,,[Mg+2],
,,,STD:D:8001,valid,,,,,C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C/4C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)O)C,
,,,STD:N:8002,valid,,,,,C[C@H]1[C@H]2C=C[C@@]3(CO3)[C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C/4C(=O)[C@@H](N(C4=O)[C@@H]5CC[C@@H]([C@@H](O5)C)O)[C@H](C)C(=O)NC)O)C,
,,,ZN:D:7412,Part of Protein,,,,,[Zn+2],
,,,ZN:D:7458,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7413,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7459,Part of Protein,,,,,[Zn+2],
,,2A69,,,,,,,
,,,MG:A:9002,Part of Protein,,,,,[Mg+2],
,,,MG:A:9010,Part of Protein,,,,,[Mg+2],
,,,MG:A:9012,Part of Protein,,,,,[Mg+2],
,,,MG:A:9013,Part of Protein,,,,,[Mg+2],
,,,MG:A:9016,Part of Protein,,,,,[Mg+2],
,,,MG:A:9027,Part of Protein,,,,,[Mg+2],
,,,MG:A:9043,Part of Protein,,,,,[Mg+2],
,,,MG:A:9066,Part of Protein,,,,,[Mg+2],
,,,MG:A:9068,Part of Protein,,,,,[Mg+2],
,,,MG:A:9075,Part of Protein,,,,,[Mg+2],
,,,MG:A:9078,Part of Protein,,,,,[Mg+2],
,,,MG:A:9081,Part of Protein,,,,,[Mg+2],
,,,MG:A:9088,Part of Protein,,,,,[Mg+2],
,,,MG:A:9097,Part of Protein,,,,,[Mg+2],
,,,MG:A:9106,Part of Protein,,,,,[Mg+2],
,,,MG:A:9111,Part of Protein,,,,,[Mg+2],
,,,MG:A:9124,Part of Protein,,,,,[Mg+2],
,,,MG:A:9125,Part of Protein,,,,,[Mg+2],
,,,MG:A:9153,Part of Protein,,,,,[Mg+2],
,,,MG:A:9156,Part of Protein,,,,,[Mg+2],
,,,MG:A:9171,Part of Protein,,,,,[Mg+2],
,,,MG:A:9332,Part of Protein,,,,,[Mg+2],
,,,MG:A:9342,Part of Protein,,,,,[Mg+2],
,,,MG:A:9345,Part of Protein,,,,,[Mg+2],
,,,MG:A:9352,Part of Protein,,,,,[Mg+2],
,,,MG:A:9354,Part of Protein,,,,,[Mg+2],
,,,MG:A:9357,Part of Protein,,,,,[Mg+2],
,,,MG:A:9368,Part of Protein,,,,,[Mg+2],
,,,MG:A:9380,Part of Protein,,,,,[Mg+2],
,,,MG:A:9384,Part of Protein,,,,,[Mg+2],
,,,MG:A:9395,Part of Protein,,,,,[Mg+2],
,,,MG:A:9460,Part of Protein,,,,,[Mg+2],
,,,MG:A:9477,Part of Protein,,,,,[Mg+2],
,,,MG:B:9032,Part of Protein,,,,,[Mg+2],
,,,MG:B:9033,Part of Protein,,,,,[Mg+2],
,,,MG:B:9040,Part of Protein,,,,,[Mg+2],
,,,MG:B:9056,Part of Protein,,,,,[Mg+2],
,,,MG:B:9059,Part of Protein,,,,,[Mg+2],
,,,MG:B:9080,Part of Protein,,,,,[Mg+2],
,,,MG:B:9083,Part of Protein,,,,,[Mg+2],
,,,MG:B:9093,Part of Protein,,,,,[Mg+2],
,,,MG:B:9094,Part of Protein,,,,,[Mg+2],
,,,MG:B:9103,Part of Protein,,,,,[Mg+2],
,,,MG:B:9104,Part of Protein,,,,,[Mg+2],
,,,MG:B:9110,Part of Protein,,,,,[Mg+2],
,,,MG:B:9116,Part of Protein,,,,,[Mg+2],
,,,MG:B:9131,Part of Protein,,,,,[Mg+2],
,,,MG:B:9136,Part of Protein,,,,,[Mg+2],
,,,MG:B:9358,Part of Protein,,,,,[Mg+2],
,,,MG:B:9359,Part of Protein,,,,,[Mg+2],
,,,MG:B:9378,Part of Protein,,,,,[Mg+2],
,,,MG:B:9457,Part of Protein,,,,,[Mg+2],
,,,MG:B:9458,Part of Protein,,,,,[Mg+2],
,,,MG:B:9478,Part of Protein,,,,,[Mg+2],
,,,MG:C:9003,Part of Protein,,,,,[Mg+2],
,,,MG:C:9004,Part of Protein,,,,,[Mg+2],
,,,MG:C:9015,Part of Protein,,,,,[Mg+2],
,,,MG:C:9019,Part of Protein,,,,,[Mg+2],
,,,MG:C:9020,Part of Protein,,,,,[Mg+2],
,,,MG:C:9021,Part of Protein,,,,,[Mg+2],
,,,MG:C:9022,Part of Protein,,,,,[Mg+2],
,,,MG:C:9025,Part of Protein,,,,,[Mg+2],
,,,MG:C:9026,Part of Protein,,,,,[Mg+2],
,,,MG:C:9031,Part of Protein,,,,,[Mg+2],
,,,MG:C:9037,Part of Protein,,,,,[Mg+2],
,,,MG:C:9042,Part of Protein,,,,,[Mg+2],
,,,MG:C:9044,Part of Protein,,,,,[Mg+2],
,,,MG:C:9046,Part of Protein,,,,,[Mg+2],
,,,MG:C:9047,Part of Protein,,,,,[Mg+2],
,,,MG:C:9049,Part of Protein,,,,,[Mg+2],
,,,MG:C:9050,Part of Protein,,,,,[Mg+2],
,,,MG:C:9051,Part of Protein,,,,,[Mg+2],
,,,MG:C:9053,Part of Protein,,,,,[Mg+2],
,,,MG:C:9055,Part of Protein,,,,,[Mg+2],
,,,MG:C:9061,Part of Protein,,,,,[Mg+2],
,,,MG:C:9065,Part of Protein,,,,,[Mg+2],
,,,MG:C:9067,Part of Protein,,,,,[Mg+2],
,,,MG:C:9071,Part of Protein,,,,,[Mg+2],
,,,MG:C:9076,Part of Protein,,,,,[Mg+2],
,,,MG:C:9079,Part of Protein,,,,,[Mg+2],
,,,MG:C:9086,Part of Protein,,,,,[Mg+2],
,,,MG:C:9090,Part of Protein,,,,,[Mg+2],
,,,MG:C:9092,Part of Protein,,,,,[Mg+2],
,,,MG:C:9107,Part of Protein,,,,,[Mg+2],
,,,MG:C:9112,Part of Protein,,,,,[Mg+2],
,,,MG:C:9114,Part of Protein,,,,,[Mg+2],
,,,MG:C:9115,Part of Protein,,,,,[Mg+2],
,,,MG:C:9119,Part of Protein,,,,,[Mg+2],
,,,MG:C:9122,Part of Protein,,,,,[Mg+2],
,,,MG:C:9126,Part of Protein,,,,,[Mg+2],
,,,MG:C:9128,Part of Protein,,,,,[Mg+2],
,,,MG:C:9138,Part of Protein,,,,,[Mg+2],
,,,MG:C:9142,Part of Protein,,,,,[Mg+2],
,,,MG:C:9143,Part of Protein,,,,,[Mg+2],
,,,MG:C:9145,Part of Protein,,,,,[Mg+2],
,,,MG:C:9149,Part of Protein,,,,,[Mg+2],
,,,MG:C:9154,Part of Protein,,,,,[Mg+2],
,,,MG:C:9160,Part of Protein,,,,,[Mg+2],
,,,MG:C:9162,Part of Protein,,,,,[Mg+2],
,,,MG:C:9164,Part of Protein,,,,,[Mg+2],
,,,MG:C:9168,Part of Protein,,,,,[Mg+2],
,,,MG:C:9169,Part of Protein,,,,,[Mg+2],
,,,MG:C:9170,Part of Protein,,,,,[Mg+2],
,,,MG:C:9175,Part of Protein,,,,,[Mg+2],
,,,MG:C:9176,Part of Protein,,,,,[Mg+2],
,,,MG:C:9178,Part of Protein,,,,,[Mg+2],
,,,MG:C:9340,Part of Protein,,,,,[Mg+2],
,,,MG:C:9350,Part of Protein,,,,,[Mg+2],
,,,MG:C:9353,Part of Protein,,,,,[Mg+2],
,,,MG:C:9355,Part of Protein,,,,,[Mg+2],
,,,MG:C:9360,Part of Protein,,,,,[Mg+2],
,,,MG:C:9361,Part of Protein,,,,,[Mg+2],
,,,MG:C:9362,Part of Protein,,,,,[Mg+2],
,,,MG:C:9366,Part of Protein,,,,,[Mg+2],
,,,MG:C:9371,Part of Protein,,,,,[Mg+2],
,,,MG:C:9372,Part of Protein,,,,,[Mg+2],
,,,MG:C:9377,Part of Protein,,,,,[Mg+2],
,,,MG:C:9381,Part of Protein,,,,,[Mg+2],
,,,MG:C:9391,Part of Protein,,,,,[Mg+2],
,,,MG:C:9394,Part of Protein,,,,,[Mg+2],
,,,MG:C:9454,Part of Protein,,,,,[Mg+2],
,,,MG:C:9455,Part of Protein,,,,,[Mg+2],
,,,MG:C:9461,Part of Protein,,,,,[Mg+2],
,,,MG:C:9462,Part of Protein,,,,,[Mg+2],
,,,MG:C:9463,Part of Protein,,,,,[Mg+2],
,,,MG:C:9464,Part of Protein,,,,,[Mg+2],
,,,MG:C:9487,Part of Protein,,,,,[Mg+2],
,,,MG:D:9001,Part of Protein,,,,,[Mg+2],
,,,MG:D:9005,Part of Protein,,,,,[Mg+2],
,,,MG:D:9006,Part of Protein,,,,,[Mg+2],
,,,MG:D:9009,Part of Protein,,,,,[Mg+2],
,,,MG:D:9011,Part of Protein,,,,,[Mg+2],
,,,MG:D:9014,Part of Protein,,,,,[Mg+2],
,,,MG:D:9017,Part of Protein,,,,,[Mg+2],
,,,MG:D:9018,Part of Protein,,,,,[Mg+2],
,,,MG:D:9023,Part of Protein,,,,,[Mg+2],
,,,MG:D:9024,Part of Protein,,,,,[Mg+2],
,,,MG:D:9028,Part of Protein,,,,,[Mg+2],
,,,MG:D:9029,Part of Protein,,,,,[Mg+2],
,,,MG:D:9030,Part of Protein,,,,,[Mg+2],
,,,MG:D:9034,Part of Protein,,,,,[Mg+2],
,,,MG:D:9036,Part of Protein,,,,,[Mg+2],
,,,MG:D:9038,Part of Protein,,,,,[Mg+2],
,,,MG:D:9039,Part of Protein,,,,,[Mg+2],
,,,MG:D:9041,Part of Protein,,,,,[Mg+2],
,,,MG:D:9052,Part of Protein,,,,,[Mg+2],
,,,MG:D:9054,Part of Protein,,,,,[Mg+2],
,,,MG:D:9058,Part of Protein,,,,,[Mg+2],
,,,MG:D:9062,Part of Protein,,,,,[Mg+2],
,,,MG:D:9063,Part of Protein,,,,,[Mg+2],
,,,MG:D:9064,Part of Protein,,,,,[Mg+2],
,,,MG:D:9069,Part of Protein,,,,,[Mg+2],
,,,MG:D:9070,Part of Protein,,,,,[Mg+2],
,,,MG:D:9072,Part of Protein,,,,,[Mg+2],
,,,MG:D:9073,Part of Protein,,,,,[Mg+2],
,,,MG:D:9077,Part of Protein,,,,,[Mg+2],
,,,MG:D:9082,Part of Protein,,,,,[Mg+2],
,,,MG:D:9084,Part of Protein,,,,,[Mg+2],
,,,MG:D:9085,Part of Protein,,,,,[Mg+2],
,,,MG:D:9087,Part of Protein,,,,,[Mg+2],
,,,MG:D:9089,Part of Protein,,,,,[Mg+2],
,,,MG:D:9091,Part of Protein,,,,,[Mg+2],
,,,MG:D:9095,Part of Protein,,,,,[Mg+2],
,,,MG:D:9096,Part of Protein,,,,,[Mg+2],
,,,MG:D:9100,Part of Protein,,,,,[Mg+2],
,,,MG:D:9102,Part of Protein,,,,,[Mg+2],
,,,MG:D:9108,Part of Protein,,,,,[Mg+2],
,,,MG:D:9113,Part of Protein,,,,,[Mg+2],
,,,MG:D:9117,Part of Protein,,,,,[Mg+2],
,,,MG:D:9118,Part of Protein,,,,,[Mg+2],
,,,MG:D:9120,Part of Protein,,,,,[Mg+2],
,,,MG:D:9121,Part of Protein,,,,,[Mg+2],
,,,MG:D:9127,Part of Protein,,,,,[Mg+2],
,,,MG:D:9129,Part of Protein,,,,,[Mg+2],
,,,MG:D:9130,Part of Protein,,,,,[Mg+2],
,,,MG:D:9132,Part of Protein,,,,,[Mg+2],
,,,MG:D:9133,Part of Protein,,,,,[Mg+2],
,,,MG:D:9134,Part of Protein,,,,,[Mg+2],
,,,MG:D:9135,Part of Protein,,,,,[Mg+2],
,,,MG:D:9137,Part of Protein,,,,,[Mg+2],
,,,MG:D:9140,Part of Protein,,,,,[Mg+2],
,,,MG:D:9141,Part of Protein,,,,,[Mg+2],
,,,MG:D:9144,Part of Protein,,,,,[Mg+2],
,,,MG:D:9146,Part of Protein,,,,,[Mg+2],
,,,MG:D:9147,Part of Protein,,,,,[Mg+2],
,,,MG:D:9150,Part of Protein,,,,,[Mg+2],
,,,MG:D:9151,Part of Protein,,,,,[Mg+2],
,,,MG:D:9152,Part of Protein,,,,,[Mg+2],
,,,MG:D:9158,Part of Protein,,,,,[Mg+2],
,,,MG:D:9161,Part of Protein,,,,,[Mg+2],
,,,MG:D:9163,Part of Protein,,,,,[Mg+2],
,,,MG:D:9165,Part of Protein,,,,,[Mg+2],
,,,MG:D:9166,Part of Protein,,,,,[Mg+2],
,,,MG:D:9167,Part of Protein,,,,,[Mg+2],
,,,MG:D:9173,Part of Protein,,,,,[Mg+2],
,,,MG:D:9174,Part of Protein,,,,,[Mg+2],
,,,MG:D:9177,Part of Protein,,,,,[Mg+2],
,,,MG:D:9328,Part of Protein,,,,,[Mg+2],
,,,MG:D:9329,Part of Protein,,,,,[Mg+2],
,,,MG:D:9330,Part of Protein,,,,,[Mg+2],
,,,MG:D:9331,Part of Protein,,,,,[Mg+2],
,,,MG:D:9333,Part of Protein,,,,,[Mg+2],
,,,MG:D:9334,Part of Protein,,,,,[Mg+2],
,,,MG:D:9335,Part of Protein,,,,,[Mg+2],
,,,MG:D:9336,Part of Protein,,,,,[Mg+2],
,,,MG:D:9337,Part of Protein,,,,,[Mg+2],
,,,MG:D:9338,Part of Protein,,,,,[Mg+2],
,,,MG:D:9339,Part of Protein,,,,,[Mg+2],
,,,MG:D:9341,Part of Protein,,,,,[Mg+2],
,,,MG:D:9343,Part of Protein,,,,,[Mg+2],
,,,MG:D:9344,Part of Protein,,,,,[Mg+2],
,,,MG:D:9346,Part of Protein,,,,,[Mg+2],
,,,MG:D:9347,Part of Protein,,,,,[Mg+2],
,,,MG:D:9348,Part of Protein,,,,,[Mg+2],
,,,MG:D:9349,Part of Protein,,,,,[Mg+2],
,,,MG:D:9351,Part of Protein,,,,,[Mg+2],
,,,MG:D:9364,Part of Protein,,,,,[Mg+2],
,,,MG:D:9365,Part of Protein,,,,,[Mg+2],
,,,MG:D:9367,Part of Protein,,,,,[Mg+2],
,,,MG:D:9369,Part of Protein,,,,,[Mg+2],
,,,MG:D:9373,Part of Protein,,,,,[Mg+2],
,,,MG:D:9374,Part of Protein,,,,,[Mg+2],
,,,MG:D:9379,Part of Protein,,,,,[Mg+2],
,,,MG:D:9385,Part of Protein,,,,,[Mg+2],
,,,MG:D:9386,Part of Protein,,,,,[Mg+2],
,,,MG:D:9388,Part of Protein,,,,,[Mg+2],
,,,MG:D:9392,Part of Protein,,,,,[Mg+2],
,,,MG:D:9396,Part of Protein,,,,,[Mg+2],
,,,MG:D:9397,Part of Protein,,,,,[Mg+2],
,,,MG:D:9453,Part of Protein,,,,,[Mg+2],
,,,MG:D:9456,Part of Protein,,,,,[Mg+2],
,,,MG:D:9459,Part of Protein,,,,,[Mg+2],
,,,MG:D:9480,Part of Protein,,,,,[Mg+2],
,,,MG:E:9007,Part of Protein,,,,,[Mg+2],
,,,MG:E:9045,Part of Protein,,,,,[Mg+2],
,,,MG:E:9074,Part of Protein,,,,,[Mg+2],
,,,MG:E:9155,Part of Protein,,,,,[Mg+2],
,,,MG:E:9479,Part of Protein,,,,,[Mg+2],
,,,MG:F:9008,Part of Protein,,,,,[Mg+2],
,,,MG:F:9035,Part of Protein,,,,,[Mg+2],
,,,MG:F:9048,Part of Protein,,,,,[Mg+2],
,,,MG:F:9057,Part of Protein,,,,,[Mg+2],
,,,MG:F:9060,Part of Protein,,,,,[Mg+2],
,,,MG:F:9098,Part of Protein,,,,,[Mg+2],
,,,MG:F:9099,Part of Protein,,,,,[Mg+2],
,,,MG:F:9101,Part of Protein,,,,,[Mg+2],
,,,MG:F:9105,Part of Protein,,,,,[Mg+2],
,,,MG:F:9109,Part of Protein,,,,,[Mg+2],
,,,MG:F:9123,Part of Protein,,,,,[Mg+2],
,,,MG:F:9139,Part of Protein,,,,,[Mg+2],
,,,MG:F:9148,Part of Protein,,,,,[Mg+2],
,,,MG:F:9157,Part of Protein,,,,,[Mg+2],
,,,MG:F:9159,Part of Protein,,,,,[Mg+2],
,,,MG:F:9172,Part of Protein,,,,,[Mg+2],
,,,MG:F:9356,Part of Protein,,,,,[Mg+2],
,,,MG:F:9363,Part of Protein,,,,,[Mg+2],
,,,MG:F:9370,Part of Protein,,,,,[Mg+2],
,,,MG:F:9375,Part of Protein,,,,,[Mg+2],
,,,MG:F:9376,Part of Protein,,,,,[Mg+2],
,,,MG:F:9382,Part of Protein,,,,,[Mg+2],
,,,MG:F:9383,Part of Protein,,,,,[Mg+2],
,,,MG:F:9387,Part of Protein,,,,,[Mg+2],
,,,MG:F:9389,Part of Protein,,,,,[Mg+2],
,,,MG:F:9390,Part of Protein,,,,,[Mg+2],
,,,MG:F:9393,Part of Protein,,,,,[Mg+2],
,,,MG:F:9481,Part of Protein,,,,,[Mg+2],
,,,MG:K:9180,Part of Protein,,,,,[Mg+2],
,,,MG:K:9188,Part of Protein,,,,,[Mg+2],
,,,MG:K:9191,Part of Protein,,,,,[Mg+2],
,,,MG:K:9213,Part of Protein,,,,,[Mg+2],
,,,MG:K:9223,Part of Protein,,,,,[Mg+2],
,,,MG:K:9244,Part of Protein,,,,,[Mg+2],
,,,MG:K:9251,Part of Protein,,,,,[Mg+2],
,,,MG:K:9257,Part of Protein,,,,,[Mg+2],
,,,MG:K:9264,Part of Protein,,,,,[Mg+2],
,,,MG:K:9290,Part of Protein,,,,,[Mg+2],
,,,MG:K:9301,Part of Protein,,,,,[Mg+2],
,,,MG:K:9405,Part of Protein,,,,,[Mg+2],
,,,MG:K:9410,Part of Protein,,,,,[Mg+2],
,,,MG:K:9413,Part of Protein,,,,,[Mg+2],
,,,MG:K:9432,Part of Protein,,,,,[Mg+2],
,,,MG:K:9433,Part of Protein,,,,,[Mg+2],
,,,MG:K:9438,Part of Protein,,,,,[Mg+2],
,,,MG:K:9469,Part of Protein,,,,,[Mg+2],
,,,MG:K:9470,Part of Protein,,,,,[Mg+2],
,,,MG:L:9182,Part of Protein,,,,,[Mg+2],
,,,MG:L:9183,Part of Protein,,,,,[Mg+2],
,,,MG:L:9218,Part of Protein,,,,,[Mg+2],
,,,MG:L:9245,Part of Protein,,,,,[Mg+2],
,,,MG:L:9246,Part of Protein,,,,,[Mg+2],
,,,MG:L:9252,Part of Protein,,,,,[Mg+2],
,,,MG:L:9278,Part of Protein,,,,,[Mg+2],
,,,MG:L:9283,Part of Protein,,,,,[Mg+2],
,,,MG:L:9289,Part of Protein,,,,,[Mg+2],
,,,MG:L:9306,Part of Protein,,,,,[Mg+2],
,,,MG:L:9307,Part of Protein,,,,,[Mg+2],
,,,MG:L:9309,Part of Protein,,,,,[Mg+2],
,,,MG:L:9314,Part of Protein,,,,,[Mg+2],
,,,MG:L:9414,Part of Protein,,,,,[Mg+2],
,,,MG:L:9421,Part of Protein,,,,,[Mg+2],
,,,MG:L:9437,Part of Protein,,,,,[Mg+2],
,,,MG:L:9466,Part of Protein,,,,,[Mg+2],
,,,MG:M:9190,Part of Protein,,,,,[Mg+2],
,,,MG:M:9195,Part of Protein,,,,,[Mg+2],
,,,MG:M:9196,Part of Protein,,,,,[Mg+2],
,,,MG:M:9201,Part of Protein,,,,,[Mg+2],
,,,MG:M:9203,Part of Protein,,,,,[Mg+2],
,,,MG:M:9205,Part of Protein,,,,,[Mg+2],
,,,MG:M:9208,Part of Protein,,,,,[Mg+2],
,,,MG:M:9210,Part of Protein,,,,,[Mg+2],
,,,MG:M:9212,Part of Protein,,,,,[Mg+2],
,,,MG:M:9219,Part of Protein,,,,,[Mg+2],
,,,MG:M:9220,Part of Protein,,,,,[Mg+2],
,,,MG:M:9222,Part of Protein,,,,,[Mg+2],
,,,MG:M:9224,Part of Protein,,,,,[Mg+2],
,,,MG:M:9225,Part of Protein,,,,,[Mg+2],
,,,MG:M:9227,Part of Protein,,,,,[Mg+2],
,,,MG:M:9230,Part of Protein,,,,,[Mg+2],
,,,MG:M:9234,Part of Protein,,,,,[Mg+2],
,,,MG:M:9237,Part of Protein,,,,,[Mg+2],
,,,MG:M:9239,Part of Protein,,,,,[Mg+2],
,,,MG:M:9241,Part of Protein,,,,,[Mg+2],
,,,MG:M:9242,Part of Protein,,,,,[Mg+2],
,,,MG:M:9247,Part of Protein,,,,,[Mg+2],
,,,MG:M:9248,Part of Protein,,,,,[Mg+2],
,,,MG:M:9250,Part of Protein,,,,,[Mg+2],
,,,MG:M:9256,Part of Protein,,,,,[Mg+2],
,,,MG:M:9260,Part of Protein,,,,,[Mg+2],
,,,MG:M:9261,Part of Protein,,,,,[Mg+2],
,,,MG:M:9263,Part of Protein,,,,,[Mg+2],
,,,MG:M:9268,Part of Protein,,,,,[Mg+2],
,,,MG:M:9272,Part of Protein,,,,,[Mg+2],
,,,MG:M:9273,Part of Protein,,,,,[Mg+2],
,,,MG:M:9275,Part of Protein,,,,,[Mg+2],
,,,MG:M:9281,Part of Protein,,,,,[Mg+2],
,,,MG:M:9284,Part of Protein,,,,,[Mg+2],
,,,MG:M:9294,Part of Protein,,,,,[Mg+2],
,,,MG:M:9295,Part of Protein,,,,,[Mg+2],
,,,MG:M:9299,Part of Protein,,,,,[Mg+2],
,,,MG:M:9300,Part of Protein,,,,,[Mg+2],
,,,MG:M:9305,Part of Protein,,,,,[Mg+2],
,,,MG:M:9310,Part of Protein,,,,,[Mg+2],
,,,MG:M:9312,Part of Protein,,,,,[Mg+2],
,,,MG:M:9319,Part of Protein,,,,,[Mg+2],
,,,MG:M:9320,Part of Protein,,,,,[Mg+2],
,,,MG:M:9321,Part of Protein,,,,,[Mg+2],
,,,MG:M:9324,Part of Protein,,,,,[Mg+2],
,,,MG:M:9400,Part of Protein,,,,,[Mg+2],
,,,MG:M:9401,Part of Protein,,,,,[Mg+2],
,,,MG:M:9406,Part of Protein,,,,,[Mg+2],
,,,MG:M:9407,Part of Protein,,,,,[Mg+2],
,,,MG:M:9409,Part of Protein,,,,,[Mg+2],
,,,MG:M:9411,Part of Protein,,,,,[Mg+2],
,,,MG:M:9412,Part of Protein,,,,,[Mg+2],
,,,MG:M:9416,Part of Protein,,,,,[Mg+2],
,,,MG:M:9424,Part of Protein,,,,,[Mg+2],
,,,MG:M:9434,Part of Protein,,,,,[Mg+2],
,,,MG:M:9440,Part of Protein,,,,,[Mg+2],
,,,MG:M:9441,Part of Protein,,,,,[Mg+2],
,,,MG:M:9442,Part of Protein,,,,,[Mg+2],
,,,MG:M:9447,Part of Protein,,,,,[Mg+2],
,,,MG:M:9452,Part of Protein,,,,,[Mg+2],
,,,MG:M:9471,Part of Protein,,,,,[Mg+2],
,,,MG:M:9474,Part of Protein,,,,,[Mg+2],
,,,MG:M:9475,Part of Protein,,,,,[Mg+2],
,,,MG:M:9485,Part of Protein,,,,,[Mg+2],
,,,MG:M:9486,Part of Protein,,,,,[Mg+2],
,,,MG:N:9179,Part of Protein,,,,,[Mg+2],
,,,MG:N:9181,Part of Protein,,,,,[Mg+2],
,,,MG:N:9184,Part of Protein,,,,,[Mg+2],
,,,MG:N:9185,Part of Protein,,,,,[Mg+2],
,,,MG:N:9186,Part of Protein,,,,,[Mg+2],
,,,MG:N:9187,Part of Protein,,,,,[Mg+2],
,,,MG:N:9192,Part of Protein,,,,,[Mg+2],
,,,MG:N:9193,Part of Protein,,,,,[Mg+2],
,,,MG:N:9194,Part of Protein,,,,,[Mg+2],
,,,MG:N:9199,Part of Protein,,,,,[Mg+2],
,,,MG:N:9200,Part of Protein,,,,,[Mg+2],
,,,MG:N:9204,Part of Protein,,,,,[Mg+2],
,,,MG:N:9206,Part of Protein,,,,,[Mg+2],
,,,MG:N:9207,Part of Protein,,,,,[Mg+2],
,,,MG:N:9211,Part of Protein,,,,,[Mg+2],
,,,MG:N:9214,Part of Protein,,,,,[Mg+2],
,,,MG:N:9215,Part of Protein,,,,,[Mg+2],
,,,MG:N:9217,Part of Protein,,,,,[Mg+2],
,,,MG:N:9221,Part of Protein,,,,,[Mg+2],
,,,MG:N:9229,Part of Protein,,,,,[Mg+2],
,,,MG:N:9231,Part of Protein,,,,,[Mg+2],
,,,MG:N:9232,Part of Protein,,,,,[Mg+2],
,,,MG:N:9233,Part of Protein,,,,,[Mg+2],
,,,MG:N:9236,Part of Protein,,,,,[Mg+2],
,,,MG:N:9238,Part of Protein,,,,,[Mg+2],
,,,MG:N:9240,Part of Protein,,,,,[Mg+2],
,,,MG:N:9243,Part of Protein,,,,,[Mg+2],
,,,MG:N:9249,Part of Protein,,,,,[Mg+2],
,,,MG:N:9253,Part of Protein,,,,,[Mg+2],
,,,MG:N:9259,Part of Protein,,,,,[Mg+2],
,,,MG:N:9262,Part of Protein,,,,,[Mg+2],
,,,MG:N:9265,Part of Protein,,,,,[Mg+2],
,,,MG:N:9267,Part of Protein,,,,,[Mg+2],
,,,MG:N:9269,Part of Protein,,,,,[Mg+2],
,,,MG:N:9270,Part of Protein,,,,,[Mg+2],
,,,MG:N:9271,Part of Protein,,,,,[Mg+2],
,,,MG:N:9274,Part of Protein,,,,,[Mg+2],
,,,MG:N:9276,Part of Protein,,,,,[Mg+2],
,,,MG:N:9279,Part of Protein,,,,,[Mg+2],
,,,MG:N:9286,Part of Protein,,,,,[Mg+2],
,,,MG:N:9287,Part of Protein,,,,,[Mg+2],
,,,MG:N:9288,Part of Protein,,,,,[Mg+2],
,,,MG:N:9291,Part of Protein,,,,,[Mg+2],
,,,MG:N:9292,Part of Protein,,,,,[Mg+2],
,,,MG:N:9293,Part of Protein,,,,,[Mg+2],
,,,MG:N:9298,Part of Protein,,,,,[Mg+2],
,,,MG:N:9302,Part of Protein,,,,,[Mg+2],
,,,MG:N:9303,Part of Protein,,,,,[Mg+2],
,,,MG:N:9304,Part of Protein,,,,,[Mg+2],
,,,MG:N:9308,Part of Protein,,,,,[Mg+2],
,,,MG:N:9311,Part of Protein,,,,,[Mg+2],
,,,MG:N:9313,Part of Protein,,,,,[Mg+2],
,,,MG:N:9316,Part of Protein,,,,,[Mg+2],
,,,MG:N:9317,Part of Protein,,,,,[Mg+2],
,,,MG:N:9318,Part of Protein,,,,,[Mg+2],
,,,MG:N:9322,Part of Protein,,,,,[Mg+2],
,,,MG:N:9323,Part of Protein,,,,,[Mg+2],
,,,MG:N:9326,Part of Protein,,,,,[Mg+2],
,,,MG:N:9327,Part of Protein,,,,,[Mg+2],
,,,MG:N:9398,Part of Protein,,,,,[Mg+2],
,,,MG:N:9402,Part of Protein,,,,,[Mg+2],
,,,MG:N:9403,Part of Protein,,,,,[Mg+2],
,,,MG:N:9404,Part of Protein,,,,,[Mg+2],
,,,MG:N:9408,Part of Protein,,,,,[Mg+2],
,,,MG:N:9415,Part of Protein,,,,,[Mg+2],
,,,MG:N:9417,Part of Protein,,,,,[Mg+2],
,,,MG:N:9418,Part of Protein,,,,,[Mg+2],
,,,MG:N:9419,Part of Protein,,,,,[Mg+2],
,,,MG:N:9422,Part of Protein,,,,,[Mg+2],
,,,MG:N:9423,Part of Protein,,,,,[Mg+2],
,,,MG:N:9425,Part of Protein,,,,,[Mg+2],
,,,MG:N:9426,Part of Protein,,,,,[Mg+2],
,,,MG:N:9427,Part of Protein,,,,,[Mg+2],
,,,MG:N:9428,Part of Protein,,,,,[Mg+2],
,,,MG:N:9429,Part of Protein,,,,,[Mg+2],
,,,MG:N:9430,Part of Protein,,,,,[Mg+2],
,,,MG:N:9431,Part of Protein,,,,,[Mg+2],
,,,MG:N:9435,Part of Protein,,,,,[Mg+2],
,,,MG:N:9443,Part of Protein,,,,,[Mg+2],
,,,MG:N:9444,Part of Protein,,,,,[Mg+2],
,,,MG:N:9445,Part of Protein,,,,,[Mg+2],
,,,MG:N:9448,Part of Protein,,,,,[Mg+2],
,,,MG:N:9449,Part of Protein,,,,,[Mg+2],
,,,MG:N:9450,Part of Protein,,,,,[Mg+2],
,,,MG:N:9451,Part of Protein,,,,,[Mg+2],
,,,MG:N:9465,Part of Protein,,,,,[Mg+2],
,,,MG:N:9467,Part of Protein,,,,,[Mg+2],
,,,MG:N:9468,Part of Protein,,,,,[Mg+2],
,,,MG:N:9472,Part of Protein,,,,,[Mg+2],
,,,MG:N:9473,Part of Protein,,,,,[Mg+2],
,,,MG:N:9476,Part of Protein,,,,,[Mg+2],
,,,MG:N:9484,Part of Protein,,,,,[Mg+2],
,,,MG:O:9197,Part of Protein,,,,,[Mg+2],
,,,MG:O:9198,Part of Protein,,,,,[Mg+2],
,,,MG:O:9254,Part of Protein,,,,,[Mg+2],
,,,MG:O:9266,Part of Protein,,,,,[Mg+2],
,,,MG:O:9296,Part of Protein,,,,,[Mg+2],
,,,MG:O:9420,Part of Protein,,,,,[Mg+2],
,,,MG:O:9439,Part of Protein,,,,,[Mg+2],
,,,MG:O:9483,Part of Protein,,,,,[Mg+2],
,,,MG:P:9189,Part of Protein,,,,,[Mg+2],
,,,MG:P:9202,Part of Protein,,,,,[Mg+2],
,,,MG:P:9209,Part of Protein,,,,,[Mg+2],
,,,MG:P:9216,Part of Protein,,,,,[Mg+2],
,,,MG:P:9226,Part of Protein,,,,,[Mg+2],
,,,MG:P:9228,Part of Protein,,,,,[Mg+2],
,,,MG:P:9235,Part of Protein,,,,,[Mg+2],
,,,MG:P:9255,Part of Protein,,,,,[Mg+2],
,,,MG:P:9258,Part of Protein,,,,,[Mg+2],
,,,MG:P:9277,Part of Protein,,,,,[Mg+2],
,,,MG:P:9280,Part of Protein,,,,,[Mg+2],
,,,MG:P:9282,Part of Protein,,,,,[Mg+2],
,,,MG:P:9285,Part of Protein,,,,,[Mg+2],
,,,MG:P:9297,Part of Protein,,,,,[Mg+2],
,,,MG:P:9315,Part of Protein,,,,,[Mg+2],
,,,MG:P:9325,Part of Protein,,,,,[Mg+2],
,,,MG:P:9399,Part of Protein,,,,,[Mg+2],
,,,MG:P:9436,Part of Protein,,,,,[Mg+2],
,,,MG:P:9446,Part of Protein,,,,,[Mg+2],
,,,MG:P:9482,Part of Protein,,,,,[Mg+2],
,,,RPT:C:8001,valid,,,,,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,,RPT:M:8002,valid,,,,,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,,ZN:D:7058,Part of Protein,,,,,[Zn+2],
,,,ZN:D:7112,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7059,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7113,Part of Protein,,,,,[Zn+2],
,,2A68,,,,,,,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,,,MG:A:9018,Part of Protein,,,,,[Mg+2],
,,,MG:A:9024,Part of Protein,,,,,[Mg+2],
,,,MG:A:9050,Part of Protein,,,,,[Mg+2],
,,,MG:A:9062,Part of Protein,,,,,[Mg+2],
,,,MG:A:9078,Part of Protein,,,,,[Mg+2],
,,,MG:A:9097,Part of Protein,,,,,[Mg+2],
,,,MG:A:9102,Part of Protein,,,,,[Mg+2],
,,,MG:A:9107,Part of Protein,,,,,[Mg+2],
,,,MG:A:9109,Part of Protein,,,,,[Mg+2],
,,,MG:A:9116,Part of Protein,,,,,[Mg+2],
,,,MG:A:9117,Part of Protein,,,,,[Mg+2],
,,,MG:A:9126,Part of Protein,,,,,[Mg+2],
,,,MG:A:9139,Part of Protein,,,,,[Mg+2],
,,,MG:A:9145,Part of Protein,,,,,[Mg+2],
,,,MG:A:9165,Part of Protein,,,,,[Mg+2],
,,,MG:A:9173,Part of Protein,,,,,[Mg+2],
,,,MG:A:9178,Part of Protein,,,,,[Mg+2],
,,,MG:A:9194,Part of Protein,,,,,[Mg+2],
,,,MG:A:9200,Part of Protein,,,,,[Mg+2],
,,,MG:A:9394,Part of Protein,,,,,[Mg+2],
,,,MG:A:9404,Part of Protein,,,,,[Mg+2],
,,,MG:A:9411,Part of Protein,,,,,[Mg+2],
,,,MG:A:9412,Part of Protein,,,,,[Mg+2],
,,,MG:A:9413,Part of Protein,,,,,[Mg+2],
,,,MG:A:9430,Part of Protein,,,,,[Mg+2],
,,,MG:A:9440,Part of Protein,,,,,[Mg+2],
,,,MG:A:9514,Part of Protein,,,,,[Mg+2],
,,,MG:A:9522,Part of Protein,,,,,[Mg+2],
,,,MG:A:9559,Part of Protein,,,,,[Mg+2],
,,,MG:A:9560,Part of Protein,,,,,[Mg+2],
,,,MG:B:9033,Part of Protein,,,,,[Mg+2],
,,,MG:B:9040,Part of Protein,,,,,[Mg+2],
,,,MG:B:9079,Part of Protein,,,,,[Mg+2],
,,,MG:B:9092,Part of Protein,,,,,[Mg+2],
,,,MG:B:9101,Part of Protein,,,,,[Mg+2],
,,,MG:B:9103,Part of Protein,,,,,[Mg+2],
,,,MG:B:9137,Part of Protein,,,,,[Mg+2],
,,,MG:B:9146,Part of Protein,,,,,[Mg+2],
,,,MG:B:9148,Part of Protein,,,,,[Mg+2],
,,,MG:B:9150,Part of Protein,,,,,[Mg+2],
,,,MG:B:9163,Part of Protein,,,,,[Mg+2],
,,,MG:B:9176,Part of Protein,,,,,[Mg+2],
,,,MG:B:9180,Part of Protein,,,,,[Mg+2],
,,,MG:B:9199,Part of Protein,,,,,[Mg+2],
,,,MG:B:9389,Part of Protein,,,,,[Mg+2],
,,,MG:B:9391,Part of Protein,,,,,[Mg+2],
,,,MG:B:9395,Part of Protein,,,,,[Mg+2],
,,,MG:B:9419,Part of Protein,,,,,[Mg+2],
,,,MG:B:9427,Part of Protein,,,,,[Mg+2],
,,,MG:B:9434,Part of Protein,,,,,[Mg+2],
,,,MG:B:9442,Part of Protein,,,,,[Mg+2],
,,,MG:B:9450,Part of Protein,,,,,[Mg+2],
,,,MG:B:9512,Part of Protein,,,,,[Mg+2],
,,,MG:C:9004,Part of Protein,,,,,[Mg+2],
,,,MG:C:9005,Part of Protein,,,,,[Mg+2],
,,,MG:C:9007,Part of Protein,,,,,[Mg+2],
,,,MG:C:9011,Part of Protein,,,,,[Mg+2],
,,,MG:C:9014,Part of Protein,,,,,[Mg+2],
,,,MG:C:9020,Part of Protein,,,,,[Mg+2],
,,,MG:C:9022,Part of Protein,,,,,[Mg+2],
,,,MG:C:9023,Part of Protein,,,,,[Mg+2],
,,,MG:C:9025,Part of Protein,,,,,[Mg+2],
,,,MG:C:9027,Part of Protein,,,,,[Mg+2],
,,,MG:C:9028,Part of Protein,,,,,[Mg+2],
,,,MG:C:9029,Part of Protein,,,,,[Mg+2],
,,,MG:C:9031,Part of Protein,,,,,[Mg+2],
,,,MG:C:9044,Part of Protein,,,,,[Mg+2],
,,,MG:C:9046,Part of Protein,,,,,[Mg+2],
,,,MG:C:9047,Part of Protein,,,,,[Mg+2],
,,,MG:C:9056,Part of Protein,,,,,[Mg+2],
,,,MG:C:9063,Part of Protein,,,,,[Mg+2],
,,,MG:C:9068,Part of Protein,,,,,[Mg+2],
,,,MG:C:9071,Part of Protein,,,,,[Mg+2],
,,,MG:C:9074,Part of Protein,,,,,[Mg+2],
,,,MG:C:9076,Part of Protein,,,,,[Mg+2],
,,,MG:C:9081,Part of Protein,,,,,[Mg+2],
,,,MG:C:9083,Part of Protein,,,,,[Mg+2],
,,,MG:C:9086,Part of Protein,,,,,[Mg+2],
,,,MG:C:9088,Part of Protein,,,,,[Mg+2],
,,,MG:C:9098,Part of Protein,,,,,[Mg+2],
,,,MG:C:9106,Part of Protein,,,,,[Mg+2],
,,,MG:C:9113,Part of Protein,,,,,[Mg+2],
,,,MG:C:9121,Part of Protein,,,,,[Mg+2],
,,,MG:C:9124,Part of Protein,,,,,[Mg+2],
,,,MG:C:9127,Part of Protein,,,,,[Mg+2],
,,,MG:C:9130,Part of Protein,,,,,[Mg+2],
,,,MG:C:9141,Part of Protein,,,,,[Mg+2],
,,,MG:C:9144,Part of Protein,,,,,[Mg+2],
,,,MG:C:9156,Part of Protein,,,,,[Mg+2],
,,,MG:C:9157,Part of Protein,,,,,[Mg+2],
,,,MG:C:9160,Part of Protein,,,,,[Mg+2],
,,,MG:C:9161,Part of Protein,,,,,[Mg+2],
,,,MG:C:9170,Part of Protein,,,,,[Mg+2],
,,,MG:C:9171,Part of Protein,,,,,[Mg+2],
,,,MG:C:9177,Part of Protein,,,,,[Mg+2],
,,,MG:C:9183,Part of Protein,,,,,[Mg+2],
,,,MG:C:9185,Part of Protein,,,,,[Mg+2],
,,,MG:C:9190,Part of Protein,,,,,[Mg+2],
,,,MG:C:9191,Part of Protein,,,,,[Mg+2],
,,,MG:C:9192,Part of Protein,,,,,[Mg+2],
,,,MG:C:9193,Part of Protein,,,,,[Mg+2],
,,,MG:C:9196,Part of Protein,,,,,[Mg+2],
,,,MG:C:9198,Part of Protein,,,,,[Mg+2],
,,,MG:C:9201,Part of Protein,,,,,[Mg+2],
,,,MG:C:9204,Part of Protein,,,,,[Mg+2],
,,,MG:C:9205,Part of Protein,,,,,[Mg+2],
,,,MG:C:9390,Part of Protein,,,,,[Mg+2],
,,,MG:C:9396,Part of Protein,,,,,[Mg+2],
,,,MG:C:9398,Part of Protein,,,,,[Mg+2],
,,,MG:C:9399,Part of Protein,,,,,[Mg+2],
,,,MG:C:9400,Part of Protein,,,,,[Mg+2],
,,,MG:C:9406,Part of Protein,,,,,[Mg+2],
,,,MG:C:9408,Part of Protein,,,,,[Mg+2],
,,,MG:C:9409,Part of Protein,,,,,[Mg+2],
,,,MG:C:9414,Part of Protein,,,,,[Mg+2],
,,,MG:C:9415,Part of Protein,,,,,[Mg+2],
,,,MG:C:9420,Part of Protein,,,,,[Mg+2],
,,,MG:C:9422,Part of Protein,,,,,[Mg+2],
,,,MG:C:9426,Part of Protein,,,,,[Mg+2],
,,,MG:C:9428,Part of Protein,,,,,[Mg+2],
,,,MG:C:9431,Part of Protein,,,,,[Mg+2],
,,,MG:C:9439,Part of Protein,,,,,[Mg+2],
,,,MG:C:9444,Part of Protein,,,,,[Mg+2],
,,,MG:C:9455,Part of Protein,,,,,[Mg+2],
,,,MG:C:9456,Part of Protein,,,,,[Mg+2],
,,,MG:C:9457,Part of Protein,,,,,[Mg+2],
,,,MG:C:9458,Part of Protein,,,,,[Mg+2],
,,,MG:C:9462,Part of Protein,,,,,[Mg+2],
,,,MG:C:9515,Part of Protein,,,,,[Mg+2],
,,,MG:C:9521,Part of Protein,,,,,[Mg+2],
,,,MG:C:9524,Part of Protein,,,,,[Mg+2],
,,,MG:C:9545,Part of Protein,,,,,[Mg+2],
,,,MG:C:9546,Part of Protein,,,,,[Mg+2],
,,,MG:C:9549,Part of Protein,,,,,[Mg+2],
,,,MG:D:9002,Part of Protein,,,,,[Mg+2],
,,,MG:D:9003,Part of Protein,,,,,[Mg+2],
,,,MG:D:9006,Part of Protein,,,,,[Mg+2],
,,,MG:D:9008,Part of Protein,,,,,[Mg+2],
,,,MG:D:9009,Part of Protein,,,,,[Mg+2],
,,,MG:D:9012,Part of Protein,,,,,[Mg+2],
,,,MG:D:9013,Part of Protein,,,,,[Mg+2],
,,,MG:D:9015,Part of Protein,,,,,[Mg+2],
,,,MG:D:9016,Part of Protein,,,,,[Mg+2],
,,,MG:D:9017,Part of Protein,,,,,[Mg+2],
,,,MG:D:9019,Part of Protein,,,,,[Mg+2],
,,,MG:D:9021,Part of Protein,,,,,[Mg+2],
,,,MG:D:9026,Part of Protein,,,,,[Mg+2],
,,,MG:D:9034,Part of Protein,,,,,[Mg+2],
,,,MG:D:9036,Part of Protein,,,,,[Mg+2],
,,,MG:D:9037,Part of Protein,,,,,[Mg+2],
,,,MG:D:9038,Part of Protein,,,,,[Mg+2],
,,,MG:D:9039,Part of Protein,,,,,[Mg+2],
,,,MG:D:9041,Part of Protein,,,,,[Mg+2],
,,,MG:D:9042,Part of Protein,,,,,[Mg+2],
,,,MG:D:9043,Part of Protein,,,,,[Mg+2],
,,,MG:D:9049,Part of Protein,,,,,[Mg+2],
,,,MG:D:9051,Part of Protein,,,,,[Mg+2],
,,,MG:D:9052,Part of Protein,,,,,[Mg+2],
,,,MG:D:9055,Part of Protein,,,,,[Mg+2],
,,,MG:D:9057,Part of Protein,,,,,[Mg+2],
,,,MG:D:9058,Part of Protein,,,,,[Mg+2],
,,,MG:D:9059,Part of Protein,,,,,[Mg+2],
,,,MG:D:9060,Part of Protein,,,,,[Mg+2],
,,,MG:D:9061,Part of Protein,,,,,[Mg+2],
,,,MG:D:9064,Part of Protein,,,,,[Mg+2],
,,,MG:D:9065,Part of Protein,,,,,[Mg+2],
,,,MG:D:9066,Part of Protein,,,,,[Mg+2],
,,,MG:D:9067,Part of Protein,,,,,[Mg+2],
,,,MG:D:9069,Part of Protein,,,,,[Mg+2],
,,,MG:D:9070,Part of Protein,,,,,[Mg+2],
,,,MG:D:9073,Part of Protein,,,,,[Mg+2],
,,,MG:D:9075,Part of Protein,,,,,[Mg+2],
,,,MG:D:9077,Part of Protein,,,,,[Mg+2],
,,,MG:D:9082,Part of Protein,,,,,[Mg+2],
,,,MG:D:9084,Part of Protein,,,,,[Mg+2],
,,,MG:D:9085,Part of Protein,,,,,[Mg+2],
,,,MG:D:9087,Part of Protein,,,,,[Mg+2],
,,,MG:D:9090,Part of Protein,,,,,[Mg+2],
,,,MG:D:9091,Part of Protein,,,,,[Mg+2],
,,,MG:D:9093,Part of Protein,,,,,[Mg+2],
,,,MG:D:9094,Part of Protein,,,,,[Mg+2],
,,,MG:D:9095,Part of Protein,,,,,[Mg+2],
,,,MG:D:9096,Part of Protein,,,,,[Mg+2],
,,,MG:D:9099,Part of Protein,,,,,[Mg+2],
,,,MG:D:9100,Part of Protein,,,,,[Mg+2],
,,,MG:D:9104,Part of Protein,,,,,[Mg+2],
,,,MG:D:9105,Part of Protein,,,,,[Mg+2],
,,,MG:D:9108,Part of Protein,,,,,[Mg+2],
,,,MG:D:9110,Part of Protein,,,,,[Mg+2],
,,,MG:D:9111,Part of Protein,,,,,[Mg+2],
,,,MG:D:9112,Part of Protein,,,,,[Mg+2],
,,,MG:D:9114,Part of Protein,,,,,[Mg+2],
,,,MG:D:9118,Part of Protein,,,,,[Mg+2],
,,,MG:D:9119,Part of Protein,,,,,[Mg+2],
,,,MG:D:9120,Part of Protein,,,,,[Mg+2],
,,,MG:D:9122,Part of Protein,,,,,[Mg+2],
,,,MG:D:9123,Part of Protein,,,,,[Mg+2],
,,,MG:D:9125,Part of Protein,,,,,[Mg+2],
,,,MG:D:9128,Part of Protein,,,,,[Mg+2],
,,,MG:D:9129,Part of Protein,,,,,[Mg+2],
,,,MG:D:9132,Part of Protein,,,,,[Mg+2],
,,,MG:D:9134,Part of Protein,,,,,[Mg+2],
,,,MG:D:9136,Part of Protein,,,,,[Mg+2],
,,,MG:D:9138,Part of Protein,,,,,[Mg+2],
,,,MG:D:9140,Part of Protein,,,,,[Mg+2],
,,,MG:D:9142,Part of Protein,,,,,[Mg+2],
,,,MG:D:9143,Part of Protein,,,,,[Mg+2],
,,,MG:D:9147,Part of Protein,,,,,[Mg+2],
,,,MG:D:9149,Part of Protein,,,,,[Mg+2],
,,,MG:D:9152,Part of Protein,,,,,[Mg+2],
,,,MG:D:9154,Part of Protein,,,,,[Mg+2],
,,,MG:D:9155,Part of Protein,,,,,[Mg+2],
,,,MG:D:9158,Part of Protein,,,,,[Mg+2],
,,,MG:D:9159,Part of Protein,,,,,[Mg+2],
,,,MG:D:9162,Part of Protein,,,,,[Mg+2],
,,,MG:D:9166,Part of Protein,,,,,[Mg+2],
,,,MG:D:9168,Part of Protein,,,,,[Mg+2],
,,,MG:D:9169,Part of Protein,,,,,[Mg+2],
,,,MG:D:9172,Part of Protein,,,,,[Mg+2],
,,,MG:D:9174,Part of Protein,,,,,[Mg+2],
,,,MG:D:9175,Part of Protein,,,,,[Mg+2],
,,,MG:D:9179,Part of Protein,,,,,[Mg+2],
,,,MG:D:9181,Part of Protein,,,,,[Mg+2],
,,,MG:D:9182,Part of Protein,,,,,[Mg+2],
,,,MG:D:9188,Part of Protein,,,,,[Mg+2],
,,,MG:D:9189,Part of Protein,,,,,[Mg+2],
,,,MG:D:9195,Part of Protein,,,,,[Mg+2],
,,,MG:D:9202,Part of Protein,,,,,[Mg+2],
,,,MG:D:9203,Part of Protein,,,,,[Mg+2],
,,,MG:D:9392,Part of Protein,,,,,[Mg+2],
,,,MG:D:9393,Part of Protein,,,,,[Mg+2],
,,,MG:D:9397,Part of Protein,,,,,[Mg+2],
,,,MG:D:9401,Part of Protein,,,,,[Mg+2],
,,,MG:D:9403,Part of Protein,,,,,[Mg+2],
,,,MG:D:9405,Part of Protein,,,,,[Mg+2],
,,,MG:D:9416,Part of Protein,,,,,[Mg+2],
,,,MG:D:9417,Part of Protein,,,,,[Mg+2],
,,,MG:D:9418,Part of Protein,,,,,[Mg+2],
,,,MG:D:9423,Part of Protein,,,,,[Mg+2],
,,,MG:D:9424,Part of Protein,,,,,[Mg+2],
,,,MG:D:9425,Part of Protein,,,,,[Mg+2],
,,,MG:D:9432,Part of Protein,,,,,[Mg+2],
,,,MG:D:9433,Part of Protein,,,,,[Mg+2],
,,,MG:D:9436,Part of Protein,,,,,[Mg+2],
,,,MG:D:9441,Part of Protein,,,,,[Mg+2],
,,,MG:D:9443,Part of Protein,,,,,[Mg+2],
,,,MG:D:9445,Part of Protein,,,,,[Mg+2],
,,,MG:D:9446,Part of Protein,,,,,[Mg+2],
,,,MG:D:9447,Part of Protein,,,,,[Mg+2],
,,,MG:D:9449,Part of Protein,,,,,[Mg+2],
,,,MG:D:9451,Part of Protein,,,,,[Mg+2],
,,,MG:D:9452,Part of Protein,,,,,[Mg+2],
,,,MG:D:9453,Part of Protein,,,,,[Mg+2],
,,,MG:D:9454,Part of Protein,,,,,[Mg+2],
,,,MG:D:9459,Part of Protein,,,,,[Mg+2],
,,,MG:D:9460,Part of Protein,,,,,[Mg+2],
,,,MG:D:9463,Part of Protein,,,,,[Mg+2],
,,,MG:D:9464,Part of Protein,,,,,[Mg+2],
,,,MG:D:9466,Part of Protein,,,,,[Mg+2],
,,,MG:D:9510,Part of Protein,,,,,[Mg+2],
,,,MG:D:9516,Part of Protein,,,,,[Mg+2],
,,,MG:D:9517,Part of Protein,,,,,[Mg+2],
,,,MG:D:9518,Part of Protein,,,,,[Mg+2],
,,,MG:D:9519,Part of Protein,,,,,[Mg+2],
,,,MG:D:9520,Part of Protein,,,,,[Mg+2],
,,,MG:D:9523,Part of Protein,,,,,[Mg+2],
,,,MG:D:9543,Part of Protein,,,,,[Mg+2],
,,,MG:D:9544,Part of Protein,,,,,[Mg+2],
,,,MG:D:9548,Part of Protein,,,,,[Mg+2],
,,,MG:D:9561,Part of Protein,,,,,[Mg+2],
,,,MG:D:9562,Part of Protein,,,,,[Mg+2],
,,,MG:E:9115,Part of Protein,,,,,[Mg+2],
,,,MG:E:9131,Part of Protein,,,,,[Mg+2],
,,,MG:E:9151,Part of Protein,,,,,[Mg+2],
,,,MG:E:9184,Part of Protein,,,,,[Mg+2],
,,,MG:E:9186,Part of Protein,,,,,[Mg+2],
,,,MG:E:9187,Part of Protein,,,,,[Mg+2],
,,,MG:E:9402,Part of Protein,,,,,[Mg+2],
,,,MG:E:9438,Part of Protein,,,,,[Mg+2],
,,,MG:E:9467,Part of Protein,,,,,[Mg+2],
,,,MG:E:9511,Part of Protein,,,,,[Mg+2],
,,,MG:F:9010,Part of Protein,,,,,[Mg+2],
,,,MG:F:9030,Part of Protein,,,,,[Mg+2],
,,,MG:F:9032,Part of Protein,,,,,[Mg+2],
,,,MG:F:9035,Part of Protein,,,,,[Mg+2],
,,,MG:F:9045,Part of Protein,,,,,[Mg+2],
,,,MG:F:9048,Part of Protein,,,,,[Mg+2],
,,,MG:F:9053,Part of Protein,,,,,[Mg+2],
,,,MG:F:9054,Part of Protein,,,,,[Mg+2],
,,,MG:F:9072,Part of Protein,,,,,[Mg+2],
,,,MG:F:9080,Part of Protein,,,,,[Mg+2],
,,,MG:F:9089,Part of Protein,,,,,[Mg+2],
,,,MG:F:9133,Part of Protein,,,,,[Mg+2],
,,,MG:F:9135,Part of Protein,,,,,[Mg+2],
,,,MG:F:9153,Part of Protein,,,,,[Mg+2],
,,,MG:F:9164,Part of Protein,,,,,[Mg+2],
,,,MG:F:9167,Part of Protein,,,,,[Mg+2],
,,,MG:F:9197,Part of Protein,,,,,[Mg+2],
,,,MG:F:9206,Part of Protein,,,,,[Mg+2],
,,,MG:F:9407,Part of Protein,,,,,[Mg+2],
,,,MG:F:9410,Part of Protein,,,,,[Mg+2],
,,,MG:F:9421,Part of Protein,,,,,[Mg+2],
,,,MG:F:9429,Part of Protein,,,,,[Mg+2],
,,,MG:F:9435,Part of Protein,,,,,[Mg+2],
,,,MG:F:9437,Part of Protein,,,,,[Mg+2],
,,,MG:F:9448,Part of Protein,,,,,[Mg+2],
,,,MG:F:9461,Part of Protein,,,,,[Mg+2],
,,,MG:F:9465,Part of Protein,,,,,[Mg+2],
,,,MG:F:9513,Part of Protein,,,,,[Mg+2],
,,,MG:F:9525,Part of Protein,,,,,[Mg+2],
,,,MG:F:9542,Part of Protein,,,,,[Mg+2],
,,,MG:F:9547,Part of Protein,,,,,[Mg+2],
,,,MG:K:9212,Part of Protein,,,,,[Mg+2],
,,,MG:K:9214,Part of Protein,,,,,[Mg+2],
,,,MG:K:9217,Part of Protein,,,,,[Mg+2],
,,,MG:K:9257,Part of Protein,,,,,[Mg+2],
,,,MG:K:9264,Part of Protein,,,,,[Mg+2],
,,,MG:K:9265,Part of Protein,,,,,[Mg+2],
,,,MG:K:9279,Part of Protein,,,,,[Mg+2],
,,,MG:K:9344,Part of Protein,,,,,[Mg+2],
,,,MG:K:9351,Part of Protein,,,,,[Mg+2],
,,,MG:K:9363,Part of Protein,,,,,[Mg+2],
,,,MG:K:9367,Part of Protein,,,,,[Mg+2],
,,,MG:K:9370,Part of Protein,,,,,[Mg+2],
,,,MG:K:9477,Part of Protein,,,,,[Mg+2],
,,,MG:K:9484,Part of Protein,,,,,[Mg+2],
,,,MG:K:9487,Part of Protein,,,,,[Mg+2],
,,,MG:K:9492,Part of Protein,,,,,[Mg+2],
,,,MG:K:9493,Part of Protein,,,,,[Mg+2],
,,,MG:K:9495,Part of Protein,,,,,[Mg+2],
,,,MG:K:9496,Part of Protein,,,,,[Mg+2],
,,,MG:K:9507,Part of Protein,,,,,[Mg+2],
,,,MG:K:9553,Part of Protein,,,,,[Mg+2],
,,,MG:L:9213,Part of Protein,,,,,[Mg+2],
,,,MG:L:9234,Part of Protein,,,,,[Mg+2],
,,,MG:L:9236,Part of Protein,,,,,[Mg+2],
,,,MG:L:9249,Part of Protein,,,,,[Mg+2],
,,,MG:L:9258,Part of Protein,,,,,[Mg+2],
,,,MG:L:9260,Part of Protein,,,,,[Mg+2],
,,,MG:L:9271,Part of Protein,,,,,[Mg+2],
,,,MG:L:9272,Part of Protein,,,,,[Mg+2],
,,,MG:L:9278,Part of Protein,,,,,[Mg+2],
,,,MG:L:9299,Part of Protein,,,,,[Mg+2],
,,,MG:L:9300,Part of Protein,,,,,[Mg+2],
,,,MG:L:9311,Part of Protein,,,,,[Mg+2],
,,,MG:L:9330,Part of Protein,,,,,[Mg+2],
,,,MG:L:9345,Part of Protein,,,,,[Mg+2],
,,,MG:L:9346,Part of Protein,,,,,[Mg+2],
,,,MG:L:9374,Part of Protein,,,,,[Mg+2],
,,,MG:L:9378,Part of Protein,,,,,[Mg+2],
,,,MG:L:9471,Part of Protein,,,,,[Mg+2],
,,,MG:L:9479,Part of Protein,,,,,[Mg+2],
,,,MG:L:9480,Part of Protein,,,,,[Mg+2],
,,,MG:L:9483,Part of Protein,,,,,[Mg+2],
,,,MG:L:9505,Part of Protein,,,,,[Mg+2],
,,,MG:L:9530,Part of Protein,,,,,[Mg+2],
,,,MG:L:9532,Part of Protein,,,,,[Mg+2],
,,,MG:L:9556,Part of Protein,,,,,[Mg+2],
,,,MG:M:9210,Part of Protein,,,,,[Mg+2],
,,,MG:M:9211,Part of Protein,,,,,[Mg+2],
,,,MG:M:9216,Part of Protein,,,,,[Mg+2],
,,,MG:M:9219,Part of Protein,,,,,[Mg+2],
,,,MG:M:9220,Part of Protein,,,,,[Mg+2],
,,,MG:M:9222,Part of Protein,,,,,[Mg+2],
,,,MG:M:9223,Part of Protein,,,,,[Mg+2],
,,,MG:M:9224,Part of Protein,,,,,[Mg+2],
,,,MG:M:9227,Part of Protein,,,,,[Mg+2],
,,,MG:M:9229,Part of Protein,,,,,[Mg+2],
,,,MG:M:9233,Part of Protein,,,,,[Mg+2],
,,,MG:M:9241,Part of Protein,,,,,[Mg+2],
,,,MG:M:9243,Part of Protein,,,,,[Mg+2],
,,,MG:M:9251,Part of Protein,,,,,[Mg+2],
,,,MG:M:9252,Part of Protein,,,,,[Mg+2],
,,,MG:M:9254,Part of Protein,,,,,[Mg+2],
,,,MG:M:9255,Part of Protein,,,,,[Mg+2],
,,,MG:M:9259,Part of Protein,,,,,[Mg+2],
,,,MG:M:9261,Part of Protein,,,,,[Mg+2],
,,,MG:M:9267,Part of Protein,,,,,[Mg+2],
,,,MG:M:9268,Part of Protein,,,,,[Mg+2],
,,,MG:M:9276,Part of Protein,,,,,[Mg+2],
,,,MG:M:9283,Part of Protein,,,,,[Mg+2],
,,,MG:M:9285,Part of Protein,,,,,[Mg+2],
,,,MG:M:9287,Part of Protein,,,,,[Mg+2],
,,,MG:M:9290,Part of Protein,,,,,[Mg+2],
,,,MG:M:9293,Part of Protein,,,,,[Mg+2],
,,,MG:M:9298,Part of Protein,,,,,[Mg+2],
,,,MG:M:9309,Part of Protein,,,,,[Mg+2],
,,,MG:M:9312,Part of Protein,,,,,[Mg+2],
,,,MG:M:9318,Part of Protein,,,,,[Mg+2],
,,,MG:M:9321,Part of Protein,,,,,[Mg+2],
,,,MG:M:9323,Part of Protein,,,,,[Mg+2],
,,,MG:M:9325,Part of Protein,,,,,[Mg+2],
,,,MG:M:9328,Part of Protein,,,,,[Mg+2],
,,,MG:M:9331,Part of Protein,,,,,[Mg+2],
,,,MG:M:9332,Part of Protein,,,,,[Mg+2],
,,,MG:M:9334,Part of Protein,,,,,[Mg+2],
,,,MG:M:9336,Part of Protein,,,,,[Mg+2],
,,,MG:M:9340,Part of Protein,,,,,[Mg+2],
,,,MG:M:9347,Part of Protein,,,,,[Mg+2],
,,,MG:M:9348,Part of Protein,,,,,[Mg+2],
,,,MG:M:9350,Part of Protein,,,,,[Mg+2],
,,,MG:M:9361,Part of Protein,,,,,[Mg+2],
,,,MG:M:9364,Part of Protein,,,,,[Mg+2],
,,,MG:M:9366,Part of Protein,,,,,[Mg+2],
,,,MG:M:9369,Part of Protein,,,,,[Mg+2],
,,,MG:M:9372,Part of Protein,,,,,[Mg+2],
,,,MG:M:9373,Part of Protein,,,,,[Mg+2],
,,,MG:M:9377,Part of Protein,,,,,[Mg+2],
,,,MG:M:9380,Part of Protein,,,,,[Mg+2],
,,,MG:M:9382,Part of Protein,,,,,[Mg+2],
,,,MG:M:9383,Part of Protein,,,,,[Mg+2],
,,,MG:M:9384,Part of Protein,,,,,[Mg+2],
,,,MG:M:9385,Part of Protein,,,,,[Mg+2],
,,,MG:M:9469,Part of Protein,,,,,[Mg+2],
,,,MG:M:9472,Part of Protein,,,,,[Mg+2],
,,,MG:M:9473,Part of Protein,,,,,[Mg+2],
,,,MG:M:9478,Part of Protein,,,,,[Mg+2],
,,,MG:M:9481,Part of Protein,,,,,[Mg+2],
,,,MG:M:9485,Part of Protein,,,,,[Mg+2],
,,,MG:M:9488,Part of Protein,,,,,[Mg+2],
,,,MG:M:9489,Part of Protein,,,,,[Mg+2],
,,,MG:M:9497,Part of Protein,,,,,[Mg+2],
,,,MG:M:9500,Part of Protein,,,,,[Mg+2],
,,,MG:M:9535,Part of Protein,,,,,[Mg+2],
,,,MG:M:9537,Part of Protein,,,,,[Mg+2],
,,,MG:M:9540,Part of Protein,,,,,[Mg+2],
,,,MG:M:9557,Part of Protein,,,,,[Mg+2],
,,,MG:N:9207,Part of Protein,,,,,[Mg+2],
,,,MG:N:9208,Part of Protein,,,,,[Mg+2],
,,,MG:N:9215,Part of Protein,,,,,[Mg+2],
,,,MG:N:9218,Part of Protein,,,,,[Mg+2],
,,,MG:N:9221,Part of Protein,,,,,[Mg+2],
,,,MG:N:9225,Part of Protein,,,,,[Mg+2],
,,,MG:N:9226,Part of Protein,,,,,[Mg+2],
,,,MG:N:9228,Part of Protein,,,,,[Mg+2],
,,,MG:N:9230,Part of Protein,,,,,[Mg+2],
,,,MG:N:9232,Part of Protein,,,,,[Mg+2],
,,,MG:N:9235,Part of Protein,,,,,[Mg+2],
,,,MG:N:9237,Part of Protein,,,,,[Mg+2],
,,,MG:N:9238,Part of Protein,,,,,[Mg+2],
,,,MG:N:9242,Part of Protein,,,,,[Mg+2],
,,,MG:N:9244,Part of Protein,,,,,[Mg+2],
,,,MG:N:9245,Part of Protein,,,,,[Mg+2],
,,,MG:N:9246,Part of Protein,,,,,[Mg+2],
,,,MG:N:9247,Part of Protein,,,,,[Mg+2],
,,,MG:N:9248,Part of Protein,,,,,[Mg+2],
,,,MG:N:9250,Part of Protein,,,,,[Mg+2],
,,,MG:N:9253,Part of Protein,,,,,[Mg+2],
,,,MG:N:9256,Part of Protein,,,,,[Mg+2],
,,,MG:N:9262,Part of Protein,,,,,[Mg+2],
,,,MG:N:9263,Part of Protein,,,,,[Mg+2],
,,,MG:N:9266,Part of Protein,,,,,[Mg+2],
,,,MG:N:9270,Part of Protein,,,,,[Mg+2],
,,,MG:N:9273,Part of Protein,,,,,[Mg+2],
,,,MG:N:9277,Part of Protein,,,,,[Mg+2],
,,,MG:N:9280,Part of Protein,,,,,[Mg+2],
,,,MG:N:9281,Part of Protein,,,,,[Mg+2],
,,,MG:N:9282,Part of Protein,,,,,[Mg+2],
,,,MG:N:9286,Part of Protein,,,,,[Mg+2],
,,,MG:N:9288,Part of Protein,,,,,[Mg+2],
,,,MG:N:9289,Part of Protein,,,,,[Mg+2],
,,,MG:N:9291,Part of Protein,,,,,[Mg+2],
,,,MG:N:9292,Part of Protein,,,,,[Mg+2],
,,,MG:N:9294,Part of Protein,,,,,[Mg+2],
,,,MG:N:9295,Part of Protein,,,,,[Mg+2],
,,,MG:N:9297,Part of Protein,,,,,[Mg+2],
,,,MG:N:9301,Part of Protein,,,,,[Mg+2],
,,,MG:N:9302,Part of Protein,,,,,[Mg+2],
,,,MG:N:9303,Part of Protein,,,,,[Mg+2],
,,,MG:N:9305,Part of Protein,,,,,[Mg+2],
,,,MG:N:9306,Part of Protein,,,,,[Mg+2],
,,,MG:N:9307,Part of Protein,,,,,[Mg+2],
,,,MG:N:9308,Part of Protein,,,,,[Mg+2],
,,,MG:N:9310,Part of Protein,,,,,[Mg+2],
,,,MG:N:9313,Part of Protein,,,,,[Mg+2],
,,,MG:N:9314,Part of Protein,,,,,[Mg+2],
,,,MG:N:9315,Part of Protein,,,,,[Mg+2],
,,,MG:N:9316,Part of Protein,,,,,[Mg+2],
,,,MG:N:9319,Part of Protein,,,,,[Mg+2],
,,,MG:N:9320,Part of Protein,,,,,[Mg+2],
,,,MG:N:9324,Part of Protein,,,,,[Mg+2],
,,,MG:N:9327,Part of Protein,,,,,[Mg+2],
,,,MG:N:9335,Part of Protein,,,,,[Mg+2],
,,,MG:N:9338,Part of Protein,,,,,[Mg+2],
,,,MG:N:9339,Part of Protein,,,,,[Mg+2],
,,,MG:N:9341,Part of Protein,,,,,[Mg+2],
,,,MG:N:9342,Part of Protein,,,,,[Mg+2],
,,,MG:N:9343,Part of Protein,,,,,[Mg+2],
,,,MG:N:9349,Part of Protein,,,,,[Mg+2],
,,,MG:N:9352,Part of Protein,,,,,[Mg+2],
,,,MG:N:9354,Part of Protein,,,,,[Mg+2],
,,,MG:N:9356,Part of Protein,,,,,[Mg+2],
,,,MG:N:9357,Part of Protein,,,,,[Mg+2],
,,,MG:N:9358,Part of Protein,,,,,[Mg+2],
,,,MG:N:9360,Part of Protein,,,,,[Mg+2],
,,,MG:N:9365,Part of Protein,,,,,[Mg+2],
,,,MG:N:9368,Part of Protein,,,,,[Mg+2],
,,,MG:N:9371,Part of Protein,,,,,[Mg+2],
,,,MG:N:9375,Part of Protein,,,,,[Mg+2],
,,,MG:N:9376,Part of Protein,,,,,[Mg+2],
,,,MG:N:9379,Part of Protein,,,,,[Mg+2],
,,,MG:N:9381,Part of Protein,,,,,[Mg+2],
,,,MG:N:9386,Part of Protein,,,,,[Mg+2],
,,,MG:N:9387,Part of Protein,,,,,[Mg+2],
,,,MG:N:9468,Part of Protein,,,,,[Mg+2],
,,,MG:N:9470,Part of Protein,,,,,[Mg+2],
,,,MG:N:9474,Part of Protein,,,,,[Mg+2],
,,,MG:N:9475,Part of Protein,,,,,[Mg+2],
,,,MG:N:9476,Part of Protein,,,,,[Mg+2],
,,,MG:N:9482,Part of Protein,,,,,[Mg+2],
,,,MG:N:9486,Part of Protein,,,,,[Mg+2],
,,,MG:N:9490,Part of Protein,,,,,[Mg+2],
,,,MG:N:9491,Part of Protein,,,,,[Mg+2],
,,,MG:N:9498,Part of Protein,,,,,[Mg+2],
,,,MG:N:9499,Part of Protein,,,,,[Mg+2],
,,,MG:N:9501,Part of Protein,,,,,[Mg+2],
,,,MG:N:9503,Part of Protein,,,,,[Mg+2],
,,,MG:N:9504,Part of Protein,,,,,[Mg+2],
,,,MG:N:9506,Part of Protein,,,,,[Mg+2],
,,,MG:N:9508,Part of Protein,,,,,[Mg+2],
,,,MG:N:9509,Part of Protein,,,,,[Mg+2],
,,,MG:N:9526,Part of Protein,,,,,[Mg+2],
,,,MG:N:9527,Part of Protein,,,,,[Mg+2],
,,,MG:N:9528,Part of Protein,,,,,[Mg+2],
,,,MG:N:9529,Part of Protein,,,,,[Mg+2],
,,,MG:N:9531,Part of Protein,,,,,[Mg+2],
,,,MG:N:9533,Part of Protein,,,,,[Mg+2],
,,,MG:N:9534,Part of Protein,,,,,[Mg+2],
,,,MG:N:9538,Part of Protein,,,,,[Mg+2],
,,,MG:N:9539,Part of Protein,,,,,[Mg+2],
,,,MG:N:9550,Part of Protein,,,,,[Mg+2],
,,,MG:N:9551,Part of Protein,,,,,[Mg+2],
,,,MG:N:9552,Part of Protein,,,,,[Mg+2],
,,,MG:N:9554,Part of Protein,,,,,[Mg+2],
,,,MG:N:9555,Part of Protein,,,,,[Mg+2],
,,,MG:O:9209,Part of Protein,,,,,[Mg+2],
,,,MG:O:9231,Part of Protein,,,,,[Mg+2],
,,,MG:O:9337,Part of Protein,,,,,[Mg+2],
,,,MG:O:9355,Part of Protein,,,,,[Mg+2],
,,,MG:O:9359,Part of Protein,,,,,[Mg+2],
,,,MG:O:9362,Part of Protein,,,,,[Mg+2],
,,,MG:P:9239,Part of Protein,,,,,[Mg+2],
,,,MG:P:9240,Part of Protein,,,,,[Mg+2],
,,,MG:P:9269,Part of Protein,,,,,[Mg+2],
,,,MG:P:9274,Part of Protein,,,,,[Mg+2],
,,,MG:P:9275,Part of Protein,,,,,[Mg+2],
,,,MG:P:9284,Part of Protein,,,,,[Mg+2],
,,,MG:P:9296,Part of Protein,,,,,[Mg+2],
,,,MG:P:9304,Part of Protein,,,,,[Mg+2],
,,,MG:P:9317,Part of Protein,,,,,[Mg+2],
,,,MG:P:9322,Part of Protein,,,,,[Mg+2],
,,,MG:P:9326,Part of Protein,,,,,[Mg+2],
,,,MG:P:9329,Part of Protein,,,,,[Mg+2],
,,,MG:P:9333,Part of Protein,,,,,[Mg+2],
,,,MG:P:9353,Part of Protein,,,,,[Mg+2],
,,,MG:P:9388,Part of Protein,,,,,[Mg+2],
,,,MG:P:9494,Part of Protein,,,,,[Mg+2],
,,,MG:P:9502,Part of Protein,,,,,[Mg+2],
,,,MG:P:9536,Part of Protein,,,,,[Mg+2],
,,,MG:P:9541,Part of Protein,,,,,[Mg+2],
,,,MG:P:9558,Part of Protein,,,,,[Mg+2],
,,,RBT:C:8001,valid,,,,,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,,RBT:M:8002,valid,,,,,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,,ZN:D:7058,Part of Protein,,,,,[Zn+2],
,,,ZN:D:7112,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7059,Part of Protein,,,,,[Zn+2],
,,,ZN:N:7113,Part of Protein,,,,,[Zn+2],
3.4.21.79,,,,,,,,,
,Family. Representative Entry is ,1IAU,,,,,,,
,,,ACE ILE GLU PRO ASJ:B:401,valid,Ki,=,80,nM,O=C(NC(C(=O)N1C(C(=O)NC(CO)CC(=O)[O-])CCC1)CCC(=O)[O-])C(NC(=O)C)C(CC)C,
,,,NAG:A:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC MAN NAG BMA:C:1,Part of Protein,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
3.2.1.73,,,,,,,,,
,Family. Representative Entry is ,1ZM1,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:B:1400,Part of Protein,,,,,[Ca+2],
,,3AXE,,,,,,,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:A:3002,Part of Protein,,,,,[Ca+2],
,,,CA:A:3003,Part of Protein,,,,,[Ca+2],
,,,CA:A:3004,Part of Protein,,,,,[Ca+2],
,,,TRS:A:1001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,5A95,,,,,,,
,,,TRS:C:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:C:407,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:F:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:407,invalid,,,,,[Mg+2],
,,,MG:C:401,invalid,,,,,[Mg+2],
,,5A8O,,,,,,,
,,,PGE:A:1377,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1375,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1374,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1378,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1376,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1373,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1370,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1371,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1372,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1367,Part of Protein,,,,,[Mg+2],
,,,CL:A:1366,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5A94,,,,,,,
,,,BGC BGC BGC:L:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:I:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:J:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:H:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:G:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:K:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:F:403,invalid,,,,,[Cl-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:E:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,5A8P,,,,,,,
,,,PGE:A:1377,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1379,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1381,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1380,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1378,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1376,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:1369,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:1372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1374,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1375,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1373,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1370,Part of Protein,,,,,[Mg+2],
,,5A8Q,,,,,,,
,,,CL:A:1375,invalid,,,,,[Cl-],
,,,CL:A:1376,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GXT:A:1374,invalid,,,,,C(=O)C=O,
,,,GOL:A:1372,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1370,Part of Protein,,,,,[Mg+2],
,,,PGE:A:1373,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1U0A,,,,,,,
,,,BGC BGC BGC BGC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:5004,Part of Protein,,,,,[Ca+2],
,,,CA:B:5002,Part of Protein,,,,,[Ca+2],
,,,CA:C:5003,Part of Protein,,,,,[Ca+2],
,,,CA:D:5001,Part of Protein,,,,,[Ca+2],
,,,ZN:A:5005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:5011,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5006,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3WDX,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GLC BGC BGC:F:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,3WDU,,,,,,,
,,,BGC:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3WDY,,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC:C:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3WDV,,,,,,,
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
1.14.13.44,,,,,,,,,
,Family. Representative Entry is ,5BRT,,,,,,,
,,,CH9:A:602,valid,,,,,c1ccc(cc1)c2ccccc2O,
,,,CH9:B:602,valid,,,,,c1ccc(cc1)c2ccccc2O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4Z2T,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4Z2R,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4Z2U,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4CY8,,,,,,,
,,,FDA:C:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:1586,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.11.1.23,,,,,,,,,
,Family. Representative Entry is ,5U55,,,,,,,
,,,S0H:D:302,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:C:302,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:A:302,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,S0H:B:302,valid,,,,,C[C@@H](CP(=O)(O)O)O,
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,5U5D,,,,,,,
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,TB6:A:302,valid,,,,,C[C@H](CP(=O)(O)O)O,
,,,TB6:B:302,invalid,,,,,C[C@H](CP(=O)(O)O)O,
,,,TB6:D:302,valid,,,,,C[C@H](CP(=O)(O)O)O,
4.2.1.8,,,,,,,,,
,Family. Representative Entry is ,4EAY,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:C:401,invalid,,,,,[Cl-],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,CS2:B:402,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
,,,CS2:A:402,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
1.1.3.12,,,,,,,,,
,Family. Representative Entry is ,4HA6,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,PXM:A:609,valid,,,,,Cc1c(c(c(cn1)CO)CN)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.1.1.218,,,,,,,,,
,Family. Representative Entry is ,5A7Y,,,,,,,
,,,ACT:B:1294,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1293,invalid,,,,,CC(=O)[O-],
,,,PEG:A:1292,invalid,,,,,C(COCCO)O,
,,,PEG:B:1292,invalid,,,,,C(COCCO)O,
,,,SAH:B:1291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6EMU,,,,,,,
,,,SAM:C:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
3.6.1.19,,,,,,,,,
,Family. Representative Entry is ,2Q16,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,ITT:A:6246,valid,,,,,c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ITT:B:203,valid,,,,,c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,SO4:A:6245,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5HVA,,,,,,,
,,,DUP:C:201,valid,Kd,=,0.086,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:D:201,valid,Kd,=,0.086,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,2YFD,,,,,,,
,,,ACT:B:1146,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1148,invalid,,,,,CC(=O)[O-],
,,,CL:A:1148,invalid,,,,,[Cl-],
,,,CL:D:1146,invalid,,,,,[Cl-],
,,,GOL:D:1147,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1146,Part of Protein,,,,,[Mg+2],
,,,MG:B:1145,Part of Protein,,,,,[Mg+2],
,,,MG:C:1144,Part of Protein,,,,,[Mg+2],
,,,MG:D:1145,Part of Protein,,,,,[Mg+2],
,,,UMP:A:1147,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5HZZ,,,,,,,
,,,MN:D:202,Part of Protein,,,,,[Mn+2],
,,,MN:D:203,Part of Protein,,,,,[Mn+2],
,,,MN:C:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:C:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,UMP:C:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5HYL,,,,,,,
,,,MG:D:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,DUP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5HWU,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,MN:B:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,DUP:B:201,valid,Kd,=,5.35,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5I0M,,,,,,,
,,,UMP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,2YFC,,,,,,,
,,,GOL:A:1147,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1148,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1146,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1147,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1146,Part of Protein,,,,,[Mn+2],
,,,MN:B:1146,Part of Protein,,,,,[Mn+2],
,,,MN:B:1147,Part of Protein,,,,,[Mn+2],
,,,MN:C:1145,Part of Protein,,,,,[Mn+2],
,,,MN:D:1145,Part of Protein,,,,,[Mn+2],
,,,MN:D:1146,Part of Protein,,,,,[Mn+2],
,,,UMP:A:1145,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:1144,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5I0J,,,,,,,
,,,UMP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,1V7R,,,,,,,
,,,CIT:A:1200,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2DVO,,,,,,,
,,,ITT:A:201,valid,,,,,c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,2DVN,,,,,,,
,,,GOL:A:1431,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1433,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1432,invalid,,,,,C(C(CO)O)O,
,,,IMP:A:1301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2PYU,,,,,,,
,,,EDO:A:600,invalid,,,,,C(CO)O,
,,,IMP:A:3036,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
1.13.12.19,,,,,,,,,
,Family. Representative Entry is ,5LUN,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,OGA:B:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:D:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,5V32,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MLT:A:402,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,5VKA,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,HAR:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,5V2T,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,TLA:A:402,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5VKB,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,AAR:A:403,valid,,,,,C(C[C@@H](C(=O)N)N)CNC(=[NH2+])N,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5V31,,,,,,,
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,5V2X,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,AKG:B:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5V2Y,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,ARG:A:402,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5V2Z,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,OOG:A:402,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,5V34,,,,,,,
,,,MLT:A:403,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,5MOF,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,AKG:A:404,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:405,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
4.1.3.30,,,,,,,,,
,Family. Representative Entry is ,1O5Q,,,,,,,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:2301,Part of Protein,,,,,[Mg+2],
,,,MG:C:3301,Part of Protein,,,,,[Mg+2],
,,,MG:D:4301,Part of Protein,,,,,[Mg+2],
,,,PYR:A:1302,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:2302,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:3302,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:4302,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,1XG4,,,,,,,
,,,ICT:A:1105,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:1205,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:D:1405,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1201,Part of Protein,,,,,[Mg+2],
,,,MG:D:1401,Part of Protein,,,,,[Mg+2],
,,1XG3,,,,,,,
,,,MG:A:2101,Part of Protein,,,,,[Mg+2],
,,,MG:B:2201,Part of Protein,,,,,[Mg+2],
,,,MG:C:2301,Part of Protein,,,,,[Mg+2],
,,,MG:D:2401,Part of Protein,,,,,[Mg+2],
,,,PYR:A:2105,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:2205,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:2305,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:2405,valid,,,,,CC(=O)C(=O)O,
,,,SIN:A:2106,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:2206,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:2406,valid,,,,,C(CC(=O)O)C(=O)O,
3.5.1.17,,,,,,,,,
,Family. Representative Entry is ,3U31,,,,,,,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:276,Part of Protein,,,,,[Zn+2],
6.2.1.14,,,,,,,,,
,Family. Representative Entry is ,5TVA,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,COA:A:302,valid,Kd,=,14,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5FM0,,,,,,,
,,,PT:B:1261,invalid,,,,,[Pt+2],
,,,PT:A:1262,invalid,,,,,[Pt+2],
,,,PT:A:1261,invalid,,,,,[Pt+2],
,,,PT:B:1259,invalid,,,,,[Pt+2],
,,,PT:B:1260,invalid,,,,,[Pt+2],
,,,PT:A:1260,invalid,,,,,[Pt+2],
,,,WAQ:B:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N,
,,,WAQ:A:1256,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)CCCCCC(=O)O)O)O)N,
,,,MG:A:1259,Part of Protein,,,,,[Mg+2],
,,,MG:A:1258,invalid,,,,,[Mg+2],
,,,PPV:B:1258,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:A:1257,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,5FLG,,,,,,,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,invalid,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,PML:B:701,valid,,,,,C(CCC(=O)O)CCC(=O)O,
,,,PML:A:701,valid,,,,,C(CCC(=O)O)CCC(=O)O,
,,,ANP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5TV6,,,,,,,
,,,PML:B:500,valid,,,,,C(CCC(=O)O)CCC(=O)O,
,,,PML:A:500,valid,,,,,C(CCC(=O)O)CCC(=O)O,
1.1.1.37,,,,,,,,,
,Family. Representative Entry is ,5NUF,,,,,,,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,GOL:C:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,NA:B:408,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,PEO:C:411,invalid,,,,,OO,
,,,PEO:A:407,invalid,,,,,OO,
,,,ACT:C:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:C:412,invalid,,,,,C(CO)O,
,,,EDO:C:413,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6IHE,,,,,,,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:405,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:406,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:409,invalid,,,,,C(COCCO)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,MLT:A:402,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:402,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,6IHD,,,,,,,
,,,ETX:B:402,invalid,,,,,CCOCCO,
,,,ETX:A:402,invalid,,,,,CCOCCO,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5MDH,,,,,,,
,,,MAK:A:335,valid,,,,,C(=O)(C(=O)O)C(=O)O,
,,,MAK:B:335,valid,,,,,C(=O)(C(=O)O)C(=O)O,
,,,NAD:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6R8G,,,,,,,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,JUT:D:401,invalid,,,,,c1cc(c(cc1c2csc(n2)N)F)F,
,,,JUT:D:402,invalid,,,,,c1cc(c(cc1c2csc(n2)N)F)F,
,,,JUT:A:401,invalid,,,,,c1cc(c(cc1c2csc(n2)N)F)F,
,,,JUT:C:402,invalid,,,,,c1cc(c(cc1c2csc(n2)N)F)F,
,,,NAD:C:401,valid,Kd,=,172,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1GV0,,,,,,,
,,,NAD:A:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2CVQ,,,,,,,
,,,NDP:A:334,valid,Ki,=,2.6,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1334,valid,Ki,=,2.6,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TRS:A:4617,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:4619,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:4621,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:4623,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1BDM,,,,,,,
,,,NAX:A:334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N,
,,,NAX:B:334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N,
,,1Y7T,,,,,,,
,,,NDP:A:1334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TRS:A:1335,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1336,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:2335,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:2336,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1WZE,,,,,,,
,,,NAD:A:1334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1WZI,,,,,,,
,,,NDP:A:1334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2334,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1BMD,,,,,,,
,,,NAD:A:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:334,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1V9N,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1GUZ,,,,,,,
,,,NAD:A:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5ZI2,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5ZI4,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OAA:A:401,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:B:401,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,Family. Representative Entry is ,4MDH,,,,,,,
,,,NAD:A:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KKA,,,,,,,
,,,6V0:A:401,valid,Ki,=,34,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,,6V0:B:401,valid,Ki,=,34,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,1EMD,,,,,,,
,,,CIT:A:313,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAD:A:314,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1IB6,,,,,,,
,,,NAD:A:313,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:314,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:315,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CMD,,,,,,,
,,,CIT:A:313,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1IE3,,,,,,,
,,,NAD:A:313,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:314,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:315,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:316,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYR:C:317,valid,Ki,=,56,mM,CC(=O)C(=O)O,
,Family. Representative Entry is ,1MLD,,,,,,,
,,,CIT:A:375,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:375,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:375,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:375,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1UXG,,,,,,,
,,,FUM:A:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,NAD:A:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UXH,,,,,,,
,,,FUM:A:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,NAD:A:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UXJ,,,,,,,
,,,CD:A:1309,invalid,,,,,[Cd+2],
,,,CD:A:1310,invalid,,,,,[Cd+2],
,,,CD:A:1311,invalid,,,,,[Cd+2],
,,,CD:A:1312,invalid,,,,,[Cd+2],
,,,CD:C:1311,invalid,,,,,[Cd+2],
,,,CD:C:1312,invalid,,,,,[Cd+2],
,,,CD:C:1313,invalid,,,,,[Cd+2],
,,,CD:C:1316,invalid,,,,,[Cd+2],
,,,CD:C:1317,invalid,,,,,[Cd+2],
,,,CL:A:1313,invalid,,,,,[Cl-],
,,,CL:C:1314,invalid,,,,,[Cl-],
,,,NA:A:1314,Part of Protein,,,,,[Na+],
,,,NA:A:1315,Part of Protein,,,,,[Na+],
,,,NA:C:1315,Part of Protein,,,,,[Na+],
,,,NAD:A:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UXK,,,,,,,
,,,CD:A:1308,invalid,,,,,[Cd+2],
,,,CD:A:1309,invalid,,,,,[Cd+2],
,,,CD:A:1310,invalid,,,,,[Cd+2],
,,,CD:A:1311,invalid,,,,,[Cd+2],
,,,CD:A:1312,invalid,,,,,[Cd+2],
,,,CD:A:1317,invalid,,,,,[Cd+2],
,,,CD:C:1310,invalid,,,,,[Cd+2],
,,,CD:C:1311,invalid,,,,,[Cd+2],
,,,CD:C:1313,invalid,,,,,[Cd+2],
,,,CD:C:1314,invalid,,,,,[Cd+2],
,,,CL:A:1313,invalid,,,,,[Cl-],
,,,CL:C:1312,invalid,,,,,[Cl-],
,,,NA:A:1314,Part of Protein,,,,,[Na+],
,,,NA:A:1315,Part of Protein,,,,,[Na+],
,,,NA:A:1316,Part of Protein,,,,,[Na+],
,,,NA:A:1318,Part of Protein,,,,,[Na+],
,,,NA:A:1319,Part of Protein,,,,,[Na+],
,,,NA:C:1315,Part of Protein,,,,,[Na+],
,,,NAD:A:1307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1309,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UR5,,,,,,,
,,,CD:A:1309,invalid,,,,,[Cd+2],
,,,CD:A:1310,invalid,,,,,[Cd+2],
,,,CD:A:1311,invalid,,,,,[Cd+2],
,,,CD:C:1310,invalid,,,,,[Cd+2],
,,,CD:C:1311,invalid,,,,,[Cd+2],
,,,CD:C:1312,invalid,,,,,[Cd+2],
,,,CL:A:1312,invalid,,,,,[Cl-],
,,,NA:A:1313,Part of Protein,,,,,[Na+],
,,,NA:C:1313,Part of Protein,,,,,[Na+],
,,,NAD:A:1308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1309,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1GUY,,,,,,,
,,,CD:A:1308,invalid,,,,,[Cd+2],
,,,CD:A:1309,invalid,,,,,[Cd+2],
,,,CD:A:1310,invalid,,,,,[Cd+2],
,,,CD:C:1308,invalid,,,,,[Cd+2],
,,,CD:C:1309,invalid,,,,,[Cd+2],
,,,NAD:A:1307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UXI,,,,,,,
,,,FUM:A:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1311,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,NA:B:1312,invalid,,,,,[Na+],
,,,NAD:A:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1310,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1O6Z,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,CL:B:1006,invalid,,,,,[Cl-],
,,,CL:C:1004,invalid,,,,,[Cl-],
,,,CL:C:1007,invalid,,,,,[Cl-],
,,,CL:D:1002,invalid,,,,,[Cl-],
,,,CL:D:1008,invalid,,,,,[Cl-],
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5NUE,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEO:B:408,invalid,,,,,OO,
,,,PEO:C:408,invalid,,,,,OO,
,,,PEO:C:409,invalid,,,,,OO,
,,,PEO:B:410,invalid,,,,,OO,
,,,PEO:A:406,invalid,,,,,OO,
,,,PEO:B:411,invalid,,,,,OO,
,,,PEO:C:406,invalid,,,,,OO,
,,,PEO:A:408,invalid,,,,,OO,
,,,PEO:C:407,invalid,,,,,OO,
,,,PEO:A:407,invalid,,,,,OO,
,,,PEO:B:409,invalid,,,,,OO,
,,,FMT:C:410,invalid,,,,,C(=O)O,
,,,FMT:B:416,invalid,,,,,C(=O)O,
,,,FMT:C:411,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:B:415,invalid,,,,,C(=O)O,
,,,ETX:A:411,valid,,,,,CCOCCO,
,,,ACT:B:412,invalid,,,,,CC(=O)[O-],
,,,ACT:B:413,invalid,,,,,CC(=O)[O-],
,,,ACT:B:414,invalid,,,,,CC(=O)[O-],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:C:412,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TRS:A:410,invalid,,,,,C(C(CO)(CO)[NH3+])O,
2.3.1.122,,,,,,,,,
,Family. Representative Entry is ,4QEK,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,4QE3,,,,,,,
,,,ACY:A:402,invalid,,,,,CC(=O)O,
,,,1N7:A:401,valid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,5OCJ,,,,,,,
,,,9SW:A:401,valid,,,,,CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC,
,,,9SW:B:401,valid,,,,,CCCCCCCCCCCC[C@H](CCP(=O)(O)OC)[C@H](C(=O)C)C(=O)OC,
,,,DMS:B:402,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,1VA5,,,,,,,
,,,SOG:A:1001,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:1003,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:1002,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:1004,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
3.6.4.13,,,,,,,,,
,Family. Representative Entry is ,6L5O,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3PEV,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,IHP:B:1003,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4A4Z,,,,,,,
,,,ANP:A:2288,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:2289,invalid,,,,,C(CO)O,
,,,EDO:A:2290,invalid,,,,,C(CO)O,
,,,EDO:A:2291,invalid,,,,,C(CO)O,
,,,EDO:A:2292,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3RC3,,,,,,,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,AZI:A:902,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5XDR,,,,,,,
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3TBK,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:795,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6SH6,,,,,,,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4PX9,,,,,,,
,,,ADP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4I67,,,,,,,
,,,G   G   G   RPC:B:1,valid,,,,,,
,Family. Representative Entry is ,6HYT,,,,,,,
,,,DMS:D:1307,invalid,,,,,CS(=O)C,
,,,DMS:B:1306,invalid,,,,,CS(=O)C,
,,,DMS:B:1312,invalid,,,,,CS(=O)C,
,,,DMS:C:1307,invalid,,,,,CS(=O)C,
,,,DMS:B:1307,invalid,,,,,CS(=O)C,
,,,DMS:B:1310,invalid,,,,,CS(=O)C,
,,,DMS:B:1309,invalid,,,,,CS(=O)C,
,,,DMS:A:1307,invalid,,,,,CS(=O)C,
,,,DMS:C:1308,invalid,,,,,CS(=O)C,
,,,DMS:D:1305,invalid,,,,,CS(=O)C,
,,,DMS:D:1308,invalid,,,,,CS(=O)C,
,,,DMS:A:1308,invalid,,,,,CS(=O)C,
,,,DMS:D:1306,invalid,,,,,CS(=O)C,
,,,DMS:B:1308,invalid,,,,,CS(=O)C,
,,,DMS:C:1306,invalid,,,,,CS(=O)C,
,,,DMS:B:1311,invalid,,,,,CS(=O)C,
,,,DMS:A:1306,invalid,,,,,CS(=O)C,
,,,DMS:C:1305,invalid,,,,,CS(=O)C,
,,,MG:C:1302,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:D:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1302,Part of Protein,,,,,[Mg+2],
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:D:1303,invalid,,,,,C(CO)O,
,,,EDO:B:1305,invalid,,,,,C(CO)O,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,,,EDO:C:1304,invalid,,,,,C(CO)O,
,,,EDO:B:1303,invalid,,,,,C(CO)O,
,,,EDO:B:1304,invalid,,,,,C(CO)O,
,,,EDO:C:1303,invalid,,,,,C(CO)O,
,,,EDO:D:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,CL:A:1310,invalid,,,,,[Cl-],
,,,CL:D:1309,invalid,,,,,[Cl-],
,,,CL:B:1314,invalid,,,,,[Cl-],
,,,CL:C:1309,invalid,,,,,[Cl-],
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:1309,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1313,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5GVR,,,,,,,
,,,LMR:A:601,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,6C90,,,,,,,
,,,TLA:A:1108,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,MLI:A:1106,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1104,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1107,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1105,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MG:A:1102,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6AIC,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6B4K,,,,,,,
,,,MLI:B:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:504,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5ZBZ,,,,,,,
,,,SAU:A:301,valid,Kd,=,12.5,uM,C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6,
,,,MLI:A:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,2I4I,,,,,,,
,,,AMP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5E7J,,,,,,,
,,,AMP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5E7M,,,,,,,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
2.6.99.3,,,,,,,,,
,Family. Representative Entry is ,3X44,,,,,,,
,,,PUS:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O,
,,,PUS:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)N)C(=O)O)O,
1.1.1.1,,,,,,,,,
,Family. Representative Entry is ,1E3I,,,,,,,
,,,CXF:A:378,valid,,,,,C1CCC(CC1)NC=O,
,,,CXF:B:378,valid,,,,,C1CCC(CC1)NC=O,
,,,ZN:A:380,Part of Protein,,,,,[Zn+2],
,,,ZN:A:381,Part of Protein,,,,,[Zn+2],
,,,ZN:B:380,Part of Protein,,,,,[Zn+2],
,,,ZN:B:381,Part of Protein,,,,,[Zn+2],
,,,NAI:A:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1E3L,,,,,,,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:378,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:380,Part of Protein,,,,,[Zn+2],
,,,ZN:A:381,Part of Protein,,,,,[Zn+2],
,,,ZN:B:380,Part of Protein,,,,,[Zn+2],
,,,ZN:B:381,Part of Protein,,,,,[Zn+2],
,,1E3E,,,,,,,
,,,ZN:A:378,Part of Protein,,,,,[Zn+2],
,,,ZN:A:379,Part of Protein,,,,,[Zn+2],
,,,ZN:B:378,Part of Protein,,,,,[Zn+2],
,,,ZN:B:379,Part of Protein,,,,,[Zn+2],
,,,NAI:A:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,2JHF,,,,,,,
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:B:401,invalid,,,,,[Cd+2],
,,,CD:B:402,invalid,,,,,[Cd+2],
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,NAD:A:403,valid,Kd,=,5,nM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,Kd,=,5,nM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1JU9,,,,,,,
,,,NAD:A:377,valid,Ki,=,1640,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,Ki,=,1640,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,5VN1,,,,,,,
,,,NWH:B:404,valid,Ki,=,5.4,uM,CCCCC[C@H](C)NC=O,
,,,NWH:C:404,valid,Ki,=,5.4,uM,CCCCC[C@H](C)NC=O,
,,,NWH:A:404,valid,Ki,=,5.4,uM,CCCCC[C@H](C)NC=O,
,,,NWH:D:404,valid,Ki,=,5.4,uM,CCCCC[C@H](C)NC=O,
,,,MRD:C:406,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,NMH:C:405,valid,Ki,=,5.4,uM,CCCCC[C@@H](C)NC=O,
,,,NAI:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2JHG,,,,,,,
,,,NAD IBO:A:403,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-].O=C(N)C(C)C,
,,,NAD IBO:B:403,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C([n+]2cc(C(=O)N)ccc2)O1)[O-].O=C(N)C(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,6CY3,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,COD:A:403,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,1P1R,,,,,,,
,,,MPD:B:2001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAI:A:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NMH:A:378,valid,Ki,=,15,uM,CCCCC[C@@H](C)NC=O,
,,,NMH:B:378,valid,Ki,=,15,uM,CCCCC[C@@H](C)NC=O,
,,,NMH:C:378,valid,Ki,=,15,uM,CCCCC[C@@H](C)NC=O,
,,,NMH:D:378,valid,Ki,=,15,uM,CCCCC[C@@H](C)NC=O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,1MG0,,,,,,,
,,,DFB:A:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,DFB:B:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,DFB:C:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,DFB:D:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,1N8K,,,,,,,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAJ PZO:A:377,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C=C(C(=O)N)C(n3nccc3)C=C2)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,NAJ PZO:B:377,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(N2C=C(C(=O)N)C(n3nccc3)C=C2)O1)[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1QLH,,,,,,,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,3OQ6,,,,,,,
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,PFB:A:378,invalid,,,,,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:B:378,invalid,,,,,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,3BTO,,,,,,,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SSB:A:378,valid,Ki,=,0.72,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:B:378,valid,Ki,=,0.72,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:C:378,valid,Ki,=,0.72,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:D:378,valid,Ki,=,0.72,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,4NFH,,,,,,,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,PFB:B:378,valid,,,,,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:A:378,valid,,,,,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5VL0,,,,,,,
,,,BNF:D:404,valid,Ki,=,0.74,uM,c1ccc(cc1)CNC=O,
,,,BNF:C:404,valid,Ki,=,0.74,uM,c1ccc(cc1)CNC=O,
,,,BNF:A:404,valid,Ki,=,0.74,uM,c1ccc(cc1)CNC=O,
,,,BNF:B:404,valid,Ki,=,0.74,uM,c1ccc(cc1)CNC=O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,NAI:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MRD:B:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1BTO,,,,,,,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SSB:A:378,valid,Ki,=,0.31,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:B:378,valid,Ki,=,0.31,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:C:378,valid,Ki,=,0.31,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,SSB:D:378,valid,Ki,=,0.31,uM,CCCC[C@H]1CC[S@](=O)C1,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,1LDE,,,,,,,
,,,FPI:A:378,valid,,,,,C1CCN(CC1)C=O,
,,,FPI:B:378,valid,,,,,C1CCN(CC1)C=O,
,,,FPI:C:378,valid,,,,,C1CCN(CC1)C=O,
,,,FPI:D:378,valid,,,,,C1CCN(CC1)C=O,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,1N92,,,,,,,
,,,MPD:A:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAJ PYZ:A:377,valid,Ki,=,0.02,uM,Ic1cn(C2C(C(=O)N)=CN(C3C(O)C(O)C(COP(OP(=O)(OCC4C(O)C(O)C(n5c6ncnc(N)c6nc5)O4)[O-])(=O)[O-])O3)C=C2)nc1,
,,,NAJ PYZ:B:377,valid,Ki,=,0.02,uM,Ic1cn(C2C(C(=O)N)=CN(C3C(O)C(O)C(COP(OP(=O)(OCC4C(O)C(O)C(n5c6ncnc(N)c6nc5)O4)[O-])(=O)[O-])O3)C=C2)nc1,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1QV7,,,,,,,
,,,DFB:A:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,DFB:B:378,valid,,,,,c1cc(c(c(c1)F)F)CO,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,4DWV,,,,,,,
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,PFB:A:378,valid,Ki,=,0.52,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:B:378,valid,Ki,=,0.52,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1MGO,,,,,,,
,,,MPD:B:602,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PFB:B:600,valid,Ki,=,51,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:B:601,valid,Ki,=,51,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1LDY,,,,,,,
,,,CXF:A:378,valid,,,,,C1CCC(CC1)NC=O,
,,,CXF:B:378,valid,,,,,C1CCC(CC1)NC=O,
,,,CXF:C:378,valid,,,,,C1CCC(CC1)NC=O,
,,,CXF:D:378,valid,,,,,C1CCC(CC1)NC=O,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,1HLD,,,,,,,
,,,NAD:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PFB BRB:A:1001,invalid,,,,,,
,,,PFB BRB:B:1002,invalid,,,,,,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:775,Part of Protein,,,,,[Zn+2],
,,,ZN:B:776,Part of Protein,,,,,[Zn+2],
,,1HET,,,,,,,
,,,MRD:A:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:404,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,1HEU,,,,,,,
,,,CD:A:400,invalid,,,,,[Cd+2],
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:B:400,invalid,,,,,[Cd+2],
,,,CD:B:401,invalid,,,,,[Cd+2],
,,,MRD:A:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1AXG,,,,,,,
,,,ETF:A:404,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:404,valid,,,,,C(C(F)(F)F)O,
,,,ETF:C:404,valid,,,,,C(C(F)(F)F)O,
,,,ETF:D:404,valid,,,,,C(C(F)(F)F)O,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,5KCZ,,,,,,,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,NAJ:A:377,valid,Kd,=,15,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:377,valid,Kd,=,15,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,ETF:A:378,valid,Ki,=,98,uM,C(C(F)(F)F)O,
,,,ETF:B:378,valid,Ki,=,98,uM,C(C(F)(F)F)O,
,,5KCP,,,,,,,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:382,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PFB:A:378,valid,Ki,=,740,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:A:379,valid,Ki,=,740,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:B:379,valid,Ki,=,740,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:B:378,valid,Ki,=,740,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,NAJ:A:377,valid,Kd,=,15,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:377,valid,Kd,=,15,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,6CXX,,,,,,,
,,,COD:B:404,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COD:A:403,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MRD:A:404,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:407,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:401,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:A:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,4NFS,,,,,,,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,ETF:A:378,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:378,valid,,,,,C(C(F)(F)F)O,
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,4NG5,,,,,,,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,PFB:B:378,valid,Ki,=,1.9,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,PFB:A:378,valid,Ki,=,1.9,uM,C(c1c(c(c(c(c1F)F)F)F)F)O,
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1QV6,,,,,,,
,,,24B:A:378,valid,,,,,c1cc(c(cc1F)F)CO,
,,,24B:B:378,valid,,,,,c1cc(c(cc1F)F)CO,
,,,MPD:A:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,5VKR,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,APR:A:403,valid,Ki,=,41,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,1EE2,,,,,,,
,,,CHD:A:1150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1250,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,NAD:A:1100,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1200,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,1A71,,,,,,,
,,,ETF:A:404,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:404,valid,,,,,C(C(F)(F)F)O,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,4DXH,,,,,,,
,,,ETF:A:378,valid,Ki,=,8.4,uM,C(C(F)(F)F)O,
,,,ETF:B:378,valid,Ki,=,8.4,uM,C(C(F)(F)F)O,
,,,MRD:A:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:380,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:381,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:379,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAJ:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,2OHX,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,5VJG,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,0BP:A:403,valid,Kd,=,0.31,mM,c1ccnc(c1)c2ccccn2,
,,1AXE,,,,,,,
,,,ETF:A:404,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:404,valid,,,,,C(C(F)(F)F)O,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2OXI,,,,,,,
,,,CU:A:375,Part of Protein,,,,,[Cu+2],
,,,CU:B:375,Part of Protein,,,,,[Cu+2],
,,,DMS:A:378,invalid,,,,,CS(=O)C,
,,,DMS:B:378,invalid,,,,,CS(=O)C,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HF3,,,,,,,
,,,CD:A:400,invalid,,,,,[Cd+2],
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:B:400,invalid,,,,,[Cd+2],
,,,CD:B:401,invalid,,,,,[Cd+2],
,,,MRD:A:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1MG5,,,,,,,
,,,ACT:A:900,invalid,,,,,CC(=O)[O-],
,,,ACT:B:901,invalid,,,,,CC(=O)[O-],
,,,NAI:A:850,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:851,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,3RJ5,,,,,,,
,,,ACY:A:632,invalid,,,,,CC(=O)O,
,,,NAD:A:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1SBY,,,,,,,
,,,ETF:A:1256,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:2256,valid,,,,,C(C(F)(F)F)O,
,,,NAD:A:1255,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2255,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3RJ9,,,,,,,
,,,NAD:A:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:850,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1B16,,,,,,,
,,,NAQ:A:600,valid,,,,,CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,NAQ:B:500,valid,,,,,CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,1B2L,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CYH:A:256,valid,,,,,C1CCC(=O)CC1,
,,,DTT:A:257,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,NDC:A:255,valid,,,,,c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,1B14,,,,,,,
,,,NAD:A:255,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1B15,,,,,,,
,,,NAE:A:255,valid,,,,,CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,NAE:B:256,valid,,,,,CC(=O)Cc1cc[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,Family. Representative Entry is ,1D1T,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:513,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:C:505,invalid,,,,,CC(=O)[O-],
,,,ACT:C:510,invalid,,,,,CC(=O)[O-],
,,,ACT:D:508,invalid,,,,,CC(=O)[O-],
,,,ACT:D:509,invalid,,,,,CC(=O)[O-],
,,,ACT:D:511,invalid,,,,,CC(=O)[O-],
,,,ACT:D:512,invalid,,,,,CC(=O)[O-],
,,,ACT:D:514,invalid,,,,,CC(=O)[O-],
,,,CAC:A:994,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:991,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:992,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:993,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:995,invalid,,,,,C[As](=O)(C)[O-],
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:407,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:409,Part of Protein,,,,,[Zn+2],
,,,ZN:D:410,Part of Protein,,,,,[Zn+2],
,,,ZN:D:411,Part of Protein,,,,,[Zn+2],
,,1D1S,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:513,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:C:505,invalid,,,,,CC(=O)[O-],
,,,ACT:C:510,invalid,,,,,CC(=O)[O-],
,,,ACT:D:508,invalid,,,,,CC(=O)[O-],
,,,ACT:D:509,invalid,,,,,CC(=O)[O-],
,,,ACT:D:511,invalid,,,,,CC(=O)[O-],
,,,ACT:D:512,invalid,,,,,CC(=O)[O-],
,,,ACT:D:514,invalid,,,,,CC(=O)[O-],
,,,CAC:A:554,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:551,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:552,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:553,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:555,invalid,,,,,C[As](=O)(C)[O-],
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:4377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:407,Part of Protein,,,,,[Zn+2],
,,,ZN:D:375,Part of Protein,,,,,[Zn+2],
,,,ZN:D:376,Part of Protein,,,,,[Zn+2],
,,,ZN:D:409,Part of Protein,,,,,[Zn+2],
,,,ZN:D:410,Part of Protein,,,,,[Zn+2],
,,,ZN:D:411,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4GKV,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,ALA ILE PRO ASN PRO LEU LEU GLY LEU ALA:P:334,invalid,,,,,,
,Family. Representative Entry is ,5O9F,,,,,,,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,9ON:A:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:D:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,6FFZ,,,,,,,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3JV7,,,,,,,
,,,ACY:A:504,invalid,,,,,CC(=O)O,
,,,ACY:B:504,invalid,,,,,CC(=O)O,
,,,ACY:C:504,invalid,,,,,CC(=O)O,
,,,ACY:D:504,invalid,,,,,CC(=O)O,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,5O9D,,,,,,,
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,9ON:A:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:D:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:C:504,valid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6FFX,,,,,,,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5O8Q,,,,,,,
,,,NAD:E:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:501,Part of Protein,,,,,[Zn+2],
,,,ZN:G:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:F:501,Part of Protein,,,,,[Zn+2],
,,,ZN:F:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:G:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,5O8H,,,,,,,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1RJW,,,,,,,
,,,ETF:A:501,valid,,,,,C(C(F)(F)F)O,
,,,ETF:A:607,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:501,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:603,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:605,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:606,valid,,,,,C(C(F)(F)F)O,
,,,ETF:C:501,valid,,,,,C(C(F)(F)F)O,
,,,ETF:C:604,valid,,,,,C(C(F)(F)F)O,
,,,ETF:C:609,valid,,,,,C(C(F)(F)F)O,
,,,ETF:D:501,valid,,,,,C(C(F)(F)F)O,
,,,ETF:D:601,valid,,,,,C(C(F)(F)F)O,
,,,ETF:D:602,valid,,,,,C(C(F)(F)F)O,
,,,ETF:D:608,valid,,,,,C(C(F)(F)F)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1CDO,,,,,,,
,,,NAD:A:375,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:375,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:377,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:377,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FZW,,,,,,,
,,,K:A:1804,Part of Protein,,,,,[K+],
,,,K:B:1805,Part of Protein,,,,,[K+],
,,,NAD:A:1377,valid,Kd,=,0.076,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,Kd,=,0.076,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1MP0,,,,,,,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:B:702,Part of Protein,,,,,[K+],
,,,NAD:A:777,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:778,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,2FZE,,,,,,,
,,,APR:A:1377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:2377,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,K:A:3001,Part of Protein,,,,,[K+],
,,,K:B:3002,Part of Protein,,,,,[K+],
,,,PO4:A:4001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:4003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1M6W,,,,,,,
,,,12H:A:4378,valid,,,,,C(CCCCCC(=O)O)CCCCCO,
,,,12H:B:5378,valid,,,,,C(CCCCCC(=O)O)CCCCCO,
,,,K:A:2001,Part of Protein,,,,,[K+],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1376,Part of Protein,,,,,[Zn+2],
,,1MA0,,,,,,,
,,,DAO:A:5378,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:6378,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,K:A:6602,Part of Protein,,,,,[K+],
,,,K:B:6501,Part of Protein,,,,,[K+],
,,,NAD:A:5377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:6377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:5375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:5376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6376,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4W6Z,,,,,,,
,,,ETF:A:404,valid,Ki,=,2.8,mM,C(C(F)(F)F)O,
,,,ETF:C:404,valid,Ki,=,2.8,mM,C(C(F)(F)F)O,
,,,ETF:D:404,valid,Ki,=,2.8,mM,C(C(F)(F)F)O,
,,,ETF:B:404,valid,Ki,=,2.8,mM,C(C(F)(F)F)O,
,,,8ID:A:403,valid,Kd,=,920,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N,
,,,8ID:C:403,valid,Kd,=,920,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4I)O)O)O)O)C(=O)N,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4JBI,,,,,,,
,,,NDP:O:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:M:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:N:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:P:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:K:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:L:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:J:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:I:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:I:402,Part of Protein,,,,,[Zn+2],
,,,ZN:J:402,Part of Protein,,,,,[Zn+2],
,,,ZN:N:402,Part of Protein,,,,,[Zn+2],
,,,ZN:P:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,,ZN:H:402,Part of Protein,,,,,[Zn+2],
,,,ZN:G:402,Part of Protein,,,,,[Zn+2],
,,,ZN:L:402,Part of Protein,,,,,[Zn+2],
,,,ZN:O:402,Part of Protein,,,,,[Zn+2],
,,,ZN:M:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:K:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:F:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1U3U,,,,,,,
,,,BNF:A:1378,valid,Ki,=,0.33,uM,c1ccc(cc1)CNC=O,
,,,BNF:B:2378,valid,Ki,=,0.33,uM,c1ccc(cc1)CNC=O,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1U3T,,,,,,,
,,,CCB:A:1378,valid,Ki,=,0.36,uM,C1CCC(C1)N(C=O)C2CCC2,
,,,CCB:B:2378,valid,Ki,=,0.36,uM,C1CCC(C1)N(C=O)C2CCC2,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1U3V,,,,,,,
,,,HPL:A:1378,valid,Ki,=,0.33,uM,CCCCCCCNC=O,
,,,HPL:B:2378,valid,Ki,=,0.33,uM,CCCCCCCNC=O,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:1400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HDY,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD PYZ:A:377,invalid,,,,,,
,,,PYZ:B:378,valid,,,,,c1c(cn[nH]1)I,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HSZ,,,,,,,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2376,Part of Protein,,,,,[Zn+2],
,,1U3W,,,,,,,
,,,FXY:A:1378,valid,Ki,=,0.41,uM,CCCCCC[C@@H](C)NC=O,
,,,FXY:B:2378,valid,Ki,=,0.41,uM,CCCCCC[C@@H](C)NC=O,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HDZ,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HT0,,,,,,,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2376,Part of Protein,,,,,[Zn+2],
,,1HDX,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CXL:A:378,valid,,,,,C1CCC(CC1)O,
,,,CXL:B:378,valid,,,,,C1CCC(CC1)O,
,,,NAD:A:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HTB,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,NAD:B:377,valid,Kd,=,670,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD PYZ:A:377,invalid,,,,,,
,,,PYZ:B:378,valid,,,,,c1c(cn[nH]1)I,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,,1HSO,,,,,,,
,,,NAD:A:1377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2377,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYZ:A:1378,valid,,,,,c1c(cn[nH]1)I,
,,,PYZ:B:2378,valid,,,,,c1c(cn[nH]1)I,
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2376,Part of Protein,,,,,[Zn+2],
,,1DEH,,,,,,,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,NAD:B:377,valid,Kd,=,1.9,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD PYZ:A:377,invalid,,,,,,
,,,PYZ:B:378,valid,,,,,c1c(cn[nH]1)I,
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:B:375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:376,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1LLU,,,,,,,
,,,EDO:A:1260,invalid,,,,,C(CO)O,
,,,EDO:A:1261,invalid,,,,,C(CO)O,
,,,EDO:B:1262,invalid,,,,,C(CO)O,
,,,EDO:C:1263,invalid,,,,,C(CO)O,
,,,EDO:C:1264,invalid,,,,,C(CO)O,
,,,EDO:D:1265,invalid,,,,,C(CO)O,
,,,EDO:E:1266,invalid,,,,,C(CO)O,
,,,EDO:E:1267,invalid,,,,,C(CO)O,
,,,EDO:F:1268,invalid,,,,,C(CO)O,
,,,EDO:G:1269,invalid,,,,,C(CO)O,
,,,EDO:G:1270,invalid,,,,,C(CO)O,
,,,EDO:H:1271,invalid,,,,,C(CO)O,
,,,NAD:A:1250,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1251,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1252,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1253,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1254,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1255,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:343,Part of Protein,,,,,[Zn+2],
,,,ZN:A:344,Part of Protein,,,,,[Zn+2],
,,,ZN:B:343,Part of Protein,,,,,[Zn+2],
,,,ZN:B:344,Part of Protein,,,,,[Zn+2],
,,,ZN:C:343,Part of Protein,,,,,[Zn+2],
,,,ZN:C:344,Part of Protein,,,,,[Zn+2],
,,,ZN:D:343,Part of Protein,,,,,[Zn+2],
,,,ZN:D:344,Part of Protein,,,,,[Zn+2],
,,,ZN:E:343,Part of Protein,,,,,[Zn+2],
,,,ZN:E:344,Part of Protein,,,,,[Zn+2],
,,,ZN:F:343,Part of Protein,,,,,[Zn+2],
,,,ZN:F:344,Part of Protein,,,,,[Zn+2],
,,,ZN:G:343,Part of Protein,,,,,[Zn+2],
,,,ZN:G:344,Part of Protein,,,,,[Zn+2],
,,,ZN:H:343,Part of Protein,,,,,[Zn+2],
,,,ZN:H:344,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1H2B,,,,,,,
,,,NAJ:A:1361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,NAJ:B:1361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,,,OCA:A:1360,valid,,,,,CCCCCCCC(=O)O,
,,,OCA:B:1360,valid,,,,,CCCCCCCC(=O)O,
,,,ZN:A:1362,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1363,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1364,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1362,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1363,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4RQU,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,NAD:B:403,valid,Kd,=,1.6,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1O2D,,,,,,,
,,,FE:A:900,Part of Protein,,,,,[Fe+3],
,,,FE:B:900,Part of Protein,,,,,[Fe+3],
,,,NAP:A:1800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TRS:A:2801,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:2800,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3WLE,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3WLF,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,FEH:B:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:D:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:A:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:C:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,Family. Representative Entry is ,1R37,,,,,,,
,,,ETX:A:600,valid,,,,,CCOCCO,
,,,ETX:B:600,valid,,,,,CCOCCO,
,,,NAD:A:403,valid,Kd,=,0.66,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,Kd,=,0.66,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
1.2.1.22,,,,,,,,,
,Family. Representative Entry is ,6J76,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.14.99.-,,,,,,,,,
,Family. Representative Entry is ,5IKI,,,,,,,
,,,A9H:B:502,valid,Kd,=,63.84,uM,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.7.1.95,,,,,,,,,
,Family. Representative Entry is ,2BKK,,,,,,,
,,,ADP:A:1265,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1265,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1266,Part of Protein,,,,,[Mg+2],
,,,MG:A:1267,Part of Protein,,,,,[Mg+2],
,,,MG:C:1266,Part of Protein,,,,,[Mg+2],
,,,MG:C:1267,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TM0,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,B31:A:305,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,MG:A:265,Part of Protein,,,,,[Mg+2],
,,,MG:A:266,Part of Protein,,,,,[Mg+2],
,,1J7U,,,,,,,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,1L8T,,,,,,,
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,KAN:A:1,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,1J7L,,,,,,,
,,,ADP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1ND4,,,,,,,
,,,ACT:A:1500,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2500,invalid,,,,,CC(=O)[O-],
,,,KAN:A:1300,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:2300,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,NA:A:1600,Part of Protein,,,,,[Na+],
,,,NA:B:2600,Part of Protein,,,,,[Na+],
3.4.24.69,,,,,,,,,
,Family. Representative Entry is ,6QNS,,,,,,,
,,,BGC GAL SIA NGA GAL SIA:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL NGA GAL SIA SIA::0,invalid,,,,,,
,,,BGC GAL NGA GAL SIA SIA:B:1,valid,,,,,,
,Family. Representative Entry is ,3C88,,,,,,,
,,,ARG ARG GLY CYS NH2:B:500,valid,Ki,=,157,nM,SCC(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(=O)[NH3+],
,,,NA:B:453,invalid,,,,,[Na+],
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,3DDB,,,,,,,
,,,ARG ARG ALA THR LYS MET NH2:B:197,valid,ic50,=,94.9,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C(O)C)CCCC[NH3+])C(=O)[NH3+])C,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,2G7Q,,,,,,,
,,,AHL:A:500,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)NO)N,
,,,ZN:A:452,Part of Protein,,,,,[Zn+2],
,,,ZN:B:451,Part of Protein,,,,,[Zn+2],
,,5V8U,,,,,,,
,,,90M:B:502,valid,,,,,Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F,
,,,90M:A:502,valid,,,,,Cc1c(n[nH]c1NC(=O)CS)c2ccc(cc2)F,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,3QJ0,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,QI3:A:432,valid,Ki,=,6.3,uM,c1cc(ccc1O[C@@H]2C[C@H](N(C2)S(=O)(=O)c3ccc(cc3)Cl)C(=O)NO)Cl,
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,3NF3,,,,,,,
,,,ARG ARG PHE AIB ALA MET LEU ALA:C:1,valid,Ki,=,638.1,nM,S(CCC(NC(=O)C(N=C(O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)Cc1ccccc1)(C)C)C)C(=O)NC(C(=O)[NH3+])CC(C)C)C,
,,,NI:A:700,Part of Protein,,,,,[Ni+2],
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,3QIZ,,,,,,,
,,,PEG:A:700,invalid,,,,,C(COCCO)O,
,,,QI2:A:432,valid,Ki,=,6.1,uM,Cc1cc(ccc1F)CCC[N@](C)CC[C@@H](C[C@H](c2ccc(cc2)F)OC)C(=O)NO,
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,6XCF,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,UZP:A:601,valid,,,,,CCCCCNC(=O)C[C@H](CC(=O)NO)c1ccc(cc1Cl)Cl,
,,6XCE,,,,,,,
,,,UZM:A:501,valid,,,,,c1cc(c(cc1Cl)Cl)[C@@H](CC(=O)NCCCS)CC(=O)NO,
,,2IMB,,,,,,,
,,,AHL:A:600,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)NO)N,
,,,AHL:B:600,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)NO)N,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,5V8P,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,90G:B:501,valid,Ki,=,10.2,uM,c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl,
,,,90G:A:502,valid,Ki,=,10.2,uM,c1cc(ccc1c2cc([nH]n2)NC(=O)CS)Cl,
,,2ILP,,,,,,,
,,,GB5:A:600,valid,ic50,=,15,uM,c1cc(ccc1C=CC(=O)NO)Cl,
,,,GB5:B:600,valid,ic50,=,15,uM,c1cc(ccc1C=CC(=O)NO)Cl,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,3DS9,,,,,,,
,,,01W ARG TRP THR DAB MET LEU GLY:B:197,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCNc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C(O)C)CC[NH3+])C(=O)NC(C(=O)[NH3+])CC(C)C)C,
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,5V8R,,,,,,,
,,,90J:A:502,valid,,,,,c1cc(ccc1c2c[nH]nc2NC(=O)CS)F,
,,,90J:B:502,valid,,,,,c1cc(ccc1c2c[nH]nc2NC(=O)CS)F,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,3C8B,,,,,,,
,,,ARG ARG GLY ILE NH2:B:500,valid,Ki,=,786,nM,O=C([NH3+])C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(CC)C,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,3C89,,,,,,,
,,,ARG ARG GLY MET NH2:B:500,valid,Ki,=,845,nM,S(CCC(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(=O)[NH3+])C,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,3C8A,,,,,,,
,,,ARG ARG GLY LEU NH2:B:500,valid,Ki,=,660,nM,O=C([NH3+])C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,3QIY,,,,,,,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,QI1:A:432,valid,Ki,=,4.6,uM,c1cc(ccc1CN(CCCC(=O)NO)Cc2ccc(cc2)Cl)Cl,
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,2IMA,,,,,,,
,,,GB4:A:600,valid,Ki,=,300,nM,c1cc(c(cc1Cl)Cl)C=CC(=O)NO,
,,,GB4:B:600,valid,Ki,=,300,nM,c1cc(c(cc1Cl)Cl)C=CC(=O)NO,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,3BOO,,,,,,,
,,,ACE CSO ARG ALA THR LYS MET LEU:B:0,valid,Ki,=,1.9,uM,S(O)CC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCSC)CCCC[NH3+])C(O)C)C)CCCNC(=[NH2+])N,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,4HEV,,,,,,,
,,,AXM:A:502,valid,Ki,=,460,nM,C1C2CC3CC1CC(C2)(C3)CC(=O)NO,
,,,AXM:B:502,valid,Ki,=,460,nM,C1C2CC3CC1CC(C2)(C3)CC(=O)NO,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,3DDA,,,,,,,
,,,GLN ARG ALA THR LYS MET NH2:B:197,valid,ic50,=,132.9,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CCCNC(=[NH2+])N)C)C(O)C)CCCC[NH3+])C(=O)[NH3+])C,
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1I1E,,,,,,,
,,,DM2:A:3001,valid,Kd,=,9.4,uM,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,SO4:A:1292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,1G9D,,,,,,,
,,,BAB:A:1292,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,BAB:A:1293,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1294,Part of Protein,,,,,[Zn+2],
,,1G9B,,,,,,,
,,,BAB:A:1292,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,BAB:A:1293,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1294,Part of Protein,,,,,[Zn+2],
,,1G9C,,,,,,,
,,,BAB:A:1292,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,BAB:A:1293,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1294,Part of Protein,,,,,[Zn+2],
,,1G9A,,,,,,,
,,,BAB:A:1292,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,BAB:A:1293,valid,ic50,~,7.5,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1294,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5TPC,,,,,,,
,,,GAL SIA NGA GAL SIA:B:1,valid,Kd,=,1,mM,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,2VU9,,,,,,,
,,,MG:A:2298,Part of Protein,,,,,[Mg+2],
,,,BGC GAL SIA NGA GAL SIA:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,3R4S,,,,,,,
,,,SIA:A:6859,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:6859,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:A:6875,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:6875,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3OBT,,,,,,,
,,,GOL:A:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:12,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,SLB:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,4KBB,,,,,,,
,,,BGC GAL SIA NGA GAL SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL SIA:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,CL:B:1300,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,MG:B:1301,Part of Protein,,,,,[Mg+2],
4.4.1.8,,,,,,,,,
,Family. Representative Entry is ,3B1E,,,,,,,
,,,ACT:C:701,invalid,,,,,CC(=O)[O-],
,,,EPE:A:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,0JO:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,3B1D,,,,,,,
,,,EPE:A:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,,NA:C:701,Part of Protein,,,,,[Na+],
,,,NA:D:701,Part of Protein,,,,,[Na+],
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLS:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,Family. Representative Entry is ,1CL2,,,,,,,
,,,PPG:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
5.3.3.8,,,,,,,,,
,Family. Representative Entry is ,4ZDC,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO8:B:304,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:C:305,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:A:304,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,4ZDB,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CAA:B:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:A:305,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1XX4,,,,,,,
,,,BAM:A:600,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:700,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:800,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1SG4,,,,,,,
,,,CO8:B:701,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
2.1.1.-,,,,,,,,,
,Family. Representative Entry is ,3G89,,,,,,,
,,,AMP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3G8B,,,,,,,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G88,,,,,,,
,,,PEG:A:250,invalid,,,,,C(COCCO)O,
,,,PEG:B:250,invalid,,,,,C(COCCO)O,
,,,PEG:B:251,invalid,,,,,C(COCCO)O,
,,,SAM:A:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3G8A,,,,,,,
,,,SAH:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3SWC,,,,,,,
,,,SAH:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3OFK,,,,,,,
,,,SAH:A:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1MXI,,,,,,,
,,,IOD:A:2001,invalid,,,,,[I-],
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3GDH,,,,,,,
,,,MGP:A:1,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:B:2,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:C:3,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PGO:C:856,invalid,,,,,C[C@@H](CO)O,
,,,PGR:A:4,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:855,invalid,,,,,C[C@H](CO)O,
,,,PGR:B:855,invalid,,,,,C[C@H](CO)O,
,,,PGR:C:855,invalid,,,,,C[C@H](CO)O,
,,,SAH:A:854,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:854,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:854,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4Y30,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,49L:A:402,valid,ic50,=,10,nM,CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4,
,,,49L:B:402,valid,ic50,=,10,nM,CNCCN(C)Cc1c[nH]nc1c2ccc(cc2)OC3CC(C3)OCCC4CCOCC4,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,4Y2H,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,49K:A:402,valid,ic50,=,0.011,uM,CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F,
,,,49K:B:402,valid,ic50,=,0.011,uM,CN(CCN)Cc1cn[nH]c1c2ccc(cc2)F,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,5EGS,,,,,,,
,,,5NR:A:403,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,5NR:C:403,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,5NR:C:402,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,5NR:D:402,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,5NR:A:402,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,5NR:B:402,valid,Kd,=,0.97,uM,c1ccc(cc1)CC2CCN(CC2)CCN,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3DMH,,,,,,,
,,,GMP:A:385,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,SAM:A:384,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DMG,,,,,,,
,,,SAH:A:388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DMF,,,,,,,
,,,SAM:A:388,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:387,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4X60,,,,,,,
,,,3XV:A:702,valid,Kd,<,1,nM,c1ccc2c(c1)CCN(C2)C[C@H](CNC(=O)c3cc(ncn3)NC4COC4)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,SFG:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,5EMJ,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,SFG:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,5QJ:A:702,valid,ic50,=,33,nM,Cn1cnc2c1cc(cc2)c3ccnc(c3)NC[C@@H](CN4CCc5ccccc5C4)O,
,,5EML,,,,,,,
,,,5QK:A:702,valid,ic50,=,23,nM,c1ccc2c(c1)CCN(C2)C[C@@H](CNC(=O)COc3cccc4c3nccc4)O,
,,,SAM:A:701,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4QTU,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,SAM:D:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4NVQ,,,,,,,
,,,ZN:A:1206,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1206,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1205,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1205,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,SAH:B:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,2OD:B:1202,valid,ic50,=,3.3,nM,COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N,
,,,2OD:A:1201,valid,ic50,=,3.3,nM,COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N,
,,5VSE,,,,,,,
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,9HG:B:1506,valid,Kd,=,1070,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC,
,,,9HG:A:1506,valid,Kd,=,1070,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC,
,,2O8J,,,,,,,
,,,SAH:A:1505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1513,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1508,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1509,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1510,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1511,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1512,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1513,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1514,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1515,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1516,Part of Protein,,,,,[Zn+2],
,,7BTV,,,,,,,
,,,ZN:B:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,N47:A:1506,valid,ic50,=,16.9,nM,Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC,
,,,N47:B:1506,valid,ic50,=,16.9,nM,Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC,
,,5VSC,,,,,,,
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,9HJ:A:1506,valid,Kd,=,510,nM,CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC,
,,,9HJ:B:1506,valid,Kd,=,510,nM,CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC,
,,,SAM:B:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3K5K,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,CL:A:3004,invalid,,,,,[Cl-],
,,,CL:B:3003,invalid,,,,,[Cl-],
,,,CL:B:3005,invalid,,,,,[Cl-],
,,,DXQ:A:2000,valid,Kd,=,23,nM,C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C,
,,,DXQ:B:2001,valid,Kd,=,23,nM,C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C,
,,,SAH:A:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,UNX:A:1199,invalid,,,,,*,
,,,UNX:B:1199,invalid,,,,,*,
,,,ZN:A:1194,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1195,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1196,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1197,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1194,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1195,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1196,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1197,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3EGI,,,,,,,
,,,ADP:A:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:4,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5ZW3,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5DXA,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,2EG5,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:2501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:3501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,XTS:A:502,valid,,,,,c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,
,,,XTS:C:1502,valid,,,,,c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,
,,,XTS:E:2502,valid,,,,,c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,
,,,XTS:G:3502,valid,,,,,c1nc2c(n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,3FUU,,,,,,,
,,,ADN:A:0,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,3FUX,,,,,,,
,,,MTA:A:272,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:272,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:272,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3FUW,,,,,,,
,,,MTA:A:272,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5WP5,,,,,,,
,,,SAH:A:501,valid,Kd,=,4.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:701,valid,Kd,=,4.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,Kd,=,4.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:702,valid,Kd,=,4.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5EEH,,,,,,,
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,P9P:A:406,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:A:407,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:A:404,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:C:402,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:404,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:A:402,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:403,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:405,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:407,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:406,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:B:401,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:A:405,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:A:403,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:C:404,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,P9P:C:403,valid,,,,,c1cc(c(cc1N(=O)=O)Cl)O,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1TW2,,,,,,,
,,,ERT:A:600,valid,,,,,CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,ERT:B:1600,valid,,,,,CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,SAH:A:635,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1635,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5EEG,,,,,,,
,,,S8M:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N,
,,,S8M:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](c4[nH]nnn4)N)O)O)N,
,,1TW3,,,,,,,
,,,ERT:A:600,valid,,,,,CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,ERT:B:1600,valid,,,,,CC[C@]1(C[C@@H](c2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,SAH:A:635,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1635,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4WXH,,,,,,,
,,,3VL:A:402,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,3VL:B:402,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTU:A:403,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3A4T,,,,,,,
,,,SFG:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,5T0K,,,,,,,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1304,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5T0M,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAH:A:1206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3NDJ,,,,,,,
,,,JHZ:A:418,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,PO4:A:417,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:415,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:416,Part of Protein,,,,,[Zn+2],
,,4E33,,,,,,,
,,,0N2:A:503,valid,,,,,C[C@@H]1[C@@H]([C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N)O,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E2W,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,JHZ:A:506,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,SAH:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E2Z,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,JHZ:A:504,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,SAH:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E30,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,SAH:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TYD:A:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E2X,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,SAH:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TYD:A:507,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E32,,,,,,,
,,,DWN:A:505,valid,,,,,C[C@@H]1C(=O)[C@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)N,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SAH:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E2Y,,,,,,,
,,,JHZ:A:503,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4E31,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,JHZ:A:505,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,SAH:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,3NDI,,,,,,,
,,,PO4:A:416,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:417,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,TMP:A:901,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ZN:A:415,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4ONQ,,,,,,,
,,,SFG:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,2ZWA,,,,,,,
,,,CIT:A:802,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:802,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:696,invalid,,,,,C(CO)O,
,,,EDO:A:697,invalid,,,,,C(CO)O,
,,,EDO:A:698,invalid,,,,,C(CO)O,
,,,EDO:B:696,invalid,,,,,C(CO)O,
,,,EDO:B:697,invalid,,,,,C(CO)O,
,,,EDO:B:698,invalid,,,,,C(CO)O,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2ZW9,,,,,,,
,,,SAM:A:801,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:801,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3GU3,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6H1E,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2WK1,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:551,invalid,,,,,C(CO)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:451,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3SSO,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3SSN,,,,,,,
,,,DMS:A:400,invalid,,,,,CS(=O)C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:C:400,invalid,,,,,CS(=O)C,
,,,GOL:D:400,invalid,,,,,C(C(CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MVI:A:701,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,MVI:C:701,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3SSM,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,7C2I,,,,,,,
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,SAM:A:301,valid,Kd,=,4.1,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5DX8,,,,,,,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,1WY7,,,,,,,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1RJD,,,,,,,
,,,BME:A:804,invalid,,,,,C(CS)O,
,,,BME:A:807,invalid,,,,,C(CS)O,
,,,BME:B:805,invalid,,,,,C(CS)O,
,,,BME:B:808,invalid,,,,,C(CS)O,
,,,BME:C:806,invalid,,,,,C(CS)O,
,,,BME:C:809,invalid,,,,,C(CS)O,
,,,SAM:A:801,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:802,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:803,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:C:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1RJE,,,,,,,
,,,BME:A:1004,invalid,,,,,C(CS)O,
,,,BME:A:1007,invalid,,,,,C(CS)O,
,,,BME:B:1005,invalid,,,,,C(CS)O,
,,,BME:B:1008,invalid,,,,,C(CS)O,
,,,BME:C:1006,invalid,,,,,C(CS)O,
,,,BME:C:1009,invalid,,,,,C(CS)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OB2,,,,,,,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:1801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3VC1,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:304,invalid,,,,,C(C(CO)O)O,
,,,GST:A:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:B:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:C:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:D:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:E:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:F:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:G:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:H:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:I:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:J:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:K:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:L:303,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,MG:G:301,Part of Protein,,,,,[Mg+2],
,,,MG:H:301,Part of Protein,,,,,[Mg+2],
,,,MG:I:301,Part of Protein,,,,,[Mg+2],
,,,MG:J:301,Part of Protein,,,,,[Mg+2],
,,,MG:K:301,Part of Protein,,,,,[Mg+2],
,,,MG:L:301,Part of Protein,,,,,[Mg+2],
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:H:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:I:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:J:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:K:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:L:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VC2,,,,,,,
,,,GPP:A:303,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:D:303,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:H:303,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:J:303,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:H:301,Part of Protein,,,,,[Mg+2],
,,,MG:J:301,Part of Protein,,,,,[Mg+2],
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:H:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:J:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:K:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:L:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4M37,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5DM1,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5D7:A:301,valid,,,,,[H]/N=C(/N)NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N,
,,4KWC,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5DM4,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,5DA:A:302,valid,,,,,[H]/N=C(/N)NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)c4nc(c(o4)C)c5ncc(o5)C)NC,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5DM2,,,,,,,
,,,5D9:A:302,valid,,,,,[H]/N=C(/N)NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)NC,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2XYQ,,,,,,,
,,,CL:A:1291,invalid,,,,,[Cl-],
,,,CL:A:1292,invalid,,,,,[Cl-],
,,,MG:A:1296,invalid,,,,,[Mg+2],
,,,NA:A:1294,Part of Protein,,,,,[Na+],
,,,NA:A:1295,Part of Protein,,,,,[Na+],
,,,SAH:A:1293,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:B:1132,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1133,Part of Protein,,,,,[Zn+2],
,,2XYV,,,,,,,
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,CL:A:1297,invalid,,,,,[Cl-],
,,,CL:A:1298,invalid,,,,,[Cl-],
,,,CL:A:1299,invalid,,,,,[Cl-],
,,,CL:B:1132,invalid,,,,,[Cl-],
,,,MG:A:1301,invalid,,,,,[Mg+2],
,,,NA:A:1293,Part of Protein,,,,,[Na+],
,,,NA:A:1294,Part of Protein,,,,,[Na+],
,,,NA:A:1295,Part of Protein,,,,,[Na+],
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:B:1130,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1131,Part of Protein,,,,,[Zn+2],
,,6YZ1,,,,,,,
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,SFG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2XYR,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,CL:A:1297,invalid,,,,,[Cl-],
,,,CL:B:1134,invalid,,,,,[Cl-],
,,,MG:A:1299,invalid,,,,,[Mg+2],
,,,NA:A:1293,Part of Protein,,,,,[Na+],
,,,SFG:A:1298,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:B:1132,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1133,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4M73,,,,,,,
,,,CA:B:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:B:408,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:407,invalid,,,,,[Ca+2],
,,,CA:B:411,invalid,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:410,invalid,,,,,[Ca+2],
,,,CA:B:410,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,M72:B:402,valid,,,,,CO[C@H](c1ccccc1)[C@H](C(=O)O)O,
,,,M72:A:402,valid,,,,,CO[C@H](c1ccccc1)[C@H](C(=O)O)O,
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,IOD:A:411,invalid,,,,,[I-],
,,4KIC,,,,,,,
,,,CA:B:409,invalid,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:B:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:A:411,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:407,invalid,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,CA:B:410,invalid,,,,,[Ca+2],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,PPY:A:402,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:402,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,IOD:A:412,invalid,,,,,[I-],
,,4M6X,,,,,,,
,,,56D:B:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,56D:A:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CA:B:407,invalid,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,4M72,,,,,,,
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:407,invalid,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,M72:B:402,valid,,,,,CO[C@H](c1ccccc1)[C@H](C(=O)O)O,
,,,M72:A:402,valid,,,,,CO[C@H](c1ccccc1)[C@H](C(=O)O)O,
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,4KIF,,,,,,,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,CA:A:507,invalid,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,HF2:A:503,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:B:503,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,PPY:A:504,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:A:501,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:501,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,4M71,,,,,,,
,,,CA:A:413,Part of Protein,,,,,[Ca+2],
,,,CA:B:409,invalid,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:408,invalid,,,,,[Ca+2],
,,,CA:A:411,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:B:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:412,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,CA:A:410,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,56D:B:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,56D:A:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,IOD:A:414,invalid,,,,,[I-],
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,4M6Y,,,,,,,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,56D:B:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,56D:A:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,OXY:A:408,invalid,,,,,O=O,
,,,OXY:B:406,invalid,,,,,O=O,
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,4M74,,,,,,,
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:405,invalid,,,,,[Ca+2],
,,,M74:A:402,valid,,,,,c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O,
,,,M74:B:402,valid,,,,,c1ccc(cc1)[C@H]([C@@H](C(=O)O)O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,HF2:B:404,valid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,4KIG,,,,,,,
,,,34H:A:503,invalid,,,,,c1cc(ccc1C[C@H](C(=O)O)O)O,
,,,34H:B:503,invalid,,,,,c1cc(ccc1C[C@H](C(=O)O)O)O,
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,CA:A:508,invalid,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:B:507,invalid,,,,,[Ca+2],
,,,CA:B:506,invalid,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,CA:A:506,invalid,,,,,[Ca+2],
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,ENO:B:501,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:A:501,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,Family. Representative Entry is ,1NV8,,,,,,,
,,,MEQ:A:400,valid,,,,,CNC(=O)CC[C@@H](C(=O)O)N,
,,,MEQ:B:401,valid,,,,,CNC(=O)CC[C@@H](C(=O)O)N,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1SG9,,,,,,,
,,,GLN:A:400,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:B:401,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:C:402,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1NV9,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3O7W,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1,invalid,,,,,[Na+],
,,,SAM:A:801,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3FRH,,,,,,,
,,,SAH:A:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3FRI,,,,,,,
,,,SAH:A:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6IX8,,,,,,,
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:A:407,invalid,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,B3O:B:408,valid,,,,,C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4,
,,,B3O:A:408,valid,,,,,C[C@H]1CCC[C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,ACT:B:407,invalid,,,,,CC(=O)[O-],
,,6IX3,,,,,,,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6IX9,,,,,,,
,,,SAM:B:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,B0O:B:401,valid,,,,,C/C=C/[C@@H]1[C@H]2CCC[C@@H]([C@H]2C3=C(O1)C(=CNC3=O)c4ccccc4)C,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CL:B:404,invalid,,,,,[Cl-],
,,6J1O,,,,,,,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:A:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6INW,,,,,,,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6IX7,,,,,,,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,B0L:B:402,valid,,,,,C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O,
,,,B0L:A:402,valid,,,,,C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,6J24,,,,,,,
,,,SAM:B:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,BYO:A:401,valid,,,,,C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4,
,,,BYO:B:401,valid,,,,,C[C@@H]1CCC[C@@H]2[C@H]1[C@@]3([C@@H](C=C2)C)C(=O)C(=CNC3=O)c4ccccc4,
,,6IX5,,,,,,,
,,,B0L:B:402,valid,,,,,C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O,
,,,B0L:A:402,valid,,,,,C/C=C/C=C/CCC[C@H](C)C(=O)C1=C(C(=CNC1=O)c2ccccc2)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CL:B:411,invalid,,,,,[Cl-],
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:B:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,NA:A:418,Part of Protein,,,,,[Na+],
,,,NA:B:413,invalid,,,,,[Na+],
,,,IMD:A:419,invalid,,,,,c1c[nH+]c[nH]1,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5FA5,,,,,,,
,,,MTA:A:701,valid,ic50,=,4.6,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6B92,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,SAH:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4FZV,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4IWN,,,,,,,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GEK:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N,
,,,GEK:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-])O)O)N,
,Family. Representative Entry is ,3M6W,,,,,,,
,,,CL:A:466,invalid,,,,,[Cl-],
,,,SAM:A:465,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3M6V,,,,,,,
,,,SAM:A:465,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:465,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2FK8,,,,,,,
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2NXE,,,,,,,
,,,SAM:A:302,valid,Kd,=,5.5,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:303,valid,Kd,=,5.5,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3TG5,,,,,,,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:435,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:436,Part of Protein,,,,,[Zn+2],
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,,ZN:A:438,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5H5F,,,,,,,
,,,SAM:A:301,valid,Kd,=,37.2,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5H5E,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3X0D,,,,,,,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3WST,,,,,,,
,,,PO4:D:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:N:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Q:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:F:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:O:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:Q:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:N:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:I:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:H:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:R:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:P:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:K:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:J:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:M:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:L:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1EJ0,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1EIZ,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1IM8,,,,,,,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,SAI:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N,
,,,SAI:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5TUZ,,,,,,,
,,,ZN:B:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3004,Part of Protein,,,,,[Zn+2],
,,,EDO:B:3007,invalid,,,,,C(CO)O,
,,,EDO:A:3007,invalid,,,,,C(CO)O,
,,,7L6:B:3006,valid,Kd,=,40,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC,
,,,7L6:A:3006,valid,Kd,=,40,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC,
,,,SAM:B:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5VSF,,,,,,,
,,,ZN:B:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3004,Part of Protein,,,,,[Zn+2],
,,,DIO:A:3007,invalid,,,,,C1COCCO1,
,,,9HG:B:3006,valid,Kd,=,94,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC,
,,,9HG:A:3006,valid,Kd,=,94,nM,CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3007,invalid,,,,,C(C(CO)O)O,
,,,SAM:B:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3FPD,,,,,,,
,,,Q4A:A:1,valid,ic50,=,0.7,uM,C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC,
,,,Q4A:B:2,valid,ic50,=,0.7,uM,C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC,
,,,SAH:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1236,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,6MBO,,,,,,,
,,,EDO:B:1312,invalid,,,,,C(CO)O,
,,,EDO:B:1313,invalid,,,,,C(CO)O,
,,,EDO:A:1314,invalid,,,,,C(CO)O,
,,,EDO:B:1310,invalid,,,,,C(CO)O,
,,,EDO:A:1308,invalid,,,,,C(CO)O,
,,,EDO:A:1315,invalid,,,,,C(CO)O,
,,,EDO:A:1313,invalid,,,,,C(CO)O,
,,,EDO:A:1312,invalid,,,,,C(CO)O,
,,,EDO:B:1311,invalid,,,,,C(CO)O,
,,,EDO:A:1310,invalid,,,,,C(CO)O,
,,,EDO:B:1308,invalid,,,,,C(CO)O,
,,,EDO:B:1309,invalid,,,,,C(CO)O,
,,,EDO:A:1309,invalid,,,,,C(CO)O,
,,,EDO:A:1311,invalid,,,,,C(CO)O,
,,,JDG:A:1301,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,JDG:A:1302,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,JDG:B:1302,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,JDG:B:1301,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,ZN:B:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1306,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1306,Part of Protein,,,,,[Zn+2],
,,,SAH:A:1307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2IGQ,,,,,,,
,,,SAH:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,6MBP,,,,,,,
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2005,Part of Protein,,,,,[Zn+2],
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:B:1307,invalid,,,,,C(CO)O,
,,,EDO:B:1310,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,EDO:B:1311,invalid,,,,,C(CO)O,
,,,EDO:B:1308,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:B:1309,invalid,,,,,C(CO)O,
,,,JDG:A:2001,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,JDG:B:1301,valid,,,,,CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5,
,,,SAH:B:1306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:2006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5VSD,,,,,,,
,,,ZN:B:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3004,Part of Protein,,,,,[Zn+2],
,,,9HJ:B:3006,valid,Kd,=,57,nM,CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC,
,,,9HJ:A:3006,valid,Kd,=,57,nM,CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC,
,,,DIO:A:3007,invalid,,,,,C1COCCO1,
,,,GOL:B:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3007,invalid,,,,,C(C(CO)O)O,
,,,SAM:B:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:3001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3MO2,,,,,,,
,,,E67:A:1,valid,Kd,=,244,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN,
,,,E67:B:2,valid,Kd,=,244,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN,
,,,E67:C:1236,valid,Kd,=,244,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN,
,,,E67:D:4,valid,Kd,=,244,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OCCCCCN,
,,,SAH:C:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:340,Part of Protein,,,,,[Zn+2],
,,,ZN:A:341,Part of Protein,,,,,[Zn+2],
,,,ZN:A:342,Part of Protein,,,,,[Zn+2],
,,,ZN:A:343,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4,Part of Protein,,,,,[Zn+2],
,,,ZN:D:5,Part of Protein,,,,,[Zn+2],
,,,ZN:D:6,Part of Protein,,,,,[Zn+2],
,,,ZN:D:7,Part of Protein,,,,,[Zn+2],
,,,ZN:D:8,Part of Protein,,,,,[Zn+2],
,,3MO5,,,,,,,
,,,E72:A:1236,valid,Kd,=,136,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN,
,,,E72:B:2,valid,Kd,=,136,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN,
,,,E72:C:1236,valid,Kd,=,136,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN,
,,,E72:D:4,valid,Kd,=,136,nM,CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN,
,,,SAH:C:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4,Part of Protein,,,,,[Zn+2],
,,,ZN:D:5,Part of Protein,,,,,[Zn+2],
,,,ZN:D:6,Part of Protein,,,,,[Zn+2],
,,,ZN:D:7,Part of Protein,,,,,[Zn+2],
,,,ZN:D:8,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4M38,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6H1D,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6KMR,,,,,,,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2JJQ,,,,,,,
,,,GOL:A:1407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1408,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2VS1,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1N2X,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M6Y,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3GRU,,,,,,,
,,,AMP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GRR,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3GRY,,,,,,,
,,,PO4:A:276,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3GRV,,,,,,,
,,,ADN:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,SO4:A:276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ZQ9,,,,,,,
,,,SAM:A:4000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:4001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5DX1,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,3CBG,,,,,,,
,,,4FE:A:502,valid,,,,,COc1ccc(cc1O)C=CC(=O)O,
,,,FER:A:501,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6D6Y,,,,,,,
,,,TMO:A:1101,invalid,,,,,C[N+](C)(C)[O-],
,,,SAH:A:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3I53,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4C4A,,,,,,,
,,,ZN:A:4692,Part of Protein,,,,,[Zn+2],
,,,DMX:A:2690,invalid,,,,,C[N+](C)(CCCS(=O)(=O)[O-])Cc1ccccc1,
,,,PG0:A:3691,invalid,,,,,COCCOCCO,
,,,SAH:A:1689,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4GQB,,,,,,,
,,,0XU:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](/C(=C[C@H](CC[C@@H](C(=O)O)N)N)/O3)O)O)N,
,Family. Representative Entry is ,3NK7,,,,,,,
,,,SAM:A:770,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:770,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5M58,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6H2U,,,,,,,
,,,CSD:A:38,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6H2V,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PG0:C:302,valid,,,,,COCCOCCO,
,,,PG0:D:202,valid,,,,,COCCOCCO,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3DUW,,,,,,,
,,,SAH:A:224,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:224,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5DX0,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5DWQ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3LCC,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3S7D,,,,,,,
,,,BU3:A:434,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:435,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:436,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,SAH:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,,ZN:A:438,Part of Protein,,,,,[Zn+2],
,,,ZN:A:439,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6VDB,,,,,,,
,,,UNX:A:1903,invalid,,,,,*,
,,,UNX:A:1915,invalid,,,,,*,
,,,UNX:A:1904,invalid,,,,,*,
,,,UNX:A:1917,invalid,,,,,*,
,,,UNX:A:1916,invalid,,,,,*,
,,,UNX:A:1912,invalid,,,,,*,
,,,UNX:A:1906,invalid,,,,,*,
,,,UNX:A:1908,invalid,,,,,*,
,,,UNX:A:1918,invalid,,,,,*,
,,,UNX:A:1905,invalid,,,,,*,
,,,UNX:H:102,invalid,,,,,*,
,,,UNX:A:1909,invalid,,,,,*,
,,,UNX:A:1920,invalid,,,,,*,
,,,UNX:A:1910,invalid,,,,,*,
,,,UNX:A:1902,invalid,,,,,*,
,,,UNX:A:1913,invalid,,,,,*,
,,,UNX:A:1911,invalid,,,,,*,
,,,UNX:A:1919,invalid,,,,,*,
,,,UNX:A:1907,invalid,,,,,*,
,,,UNX:A:1914,invalid,,,,,*,
,,,SAH:A:1901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1921,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1922,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1923,Part of Protein,,,,,[Zn+2],
,,,SCN:H:101,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,3QXY,,,,,,,
,,,EDO:A:474,invalid,,,,,C(CO)O,
,,,EDO:A:475,invalid,,,,,C(CO)O,
,,,EDO:A:476,invalid,,,,,C(CO)O,
,,,EDO:A:477,invalid,,,,,C(CO)O,
,,,EDO:A:478,invalid,,,,,C(CO)O,
,,,EDO:A:479,invalid,,,,,C(CO)O,
,,,EDO:A:480,invalid,,,,,C(CO)O,
,,,EDO:A:481,invalid,,,,,C(CO)O,
,,,EDO:A:482,invalid,,,,,C(CO)O,
,,,EDO:A:483,invalid,,,,,C(CO)O,
,,,EDO:A:484,invalid,,,,,C(CO)O,
,,,EDO:B:474,invalid,,,,,C(CO)O,
,,,EDO:B:475,invalid,,,,,C(CO)O,
,,,EDO:B:476,invalid,,,,,C(CO)O,
,,,EDO:B:477,invalid,,,,,C(CO)O,
,,,EDO:B:478,invalid,,,,,C(CO)O,
,,,EDO:B:479,invalid,,,,,C(CO)O,
,,,SAM:A:6734,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:6735,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3RC0,,,,,,,
,,,EDO:A:474,invalid,,,,,C(CO)O,
,,,EDO:A:475,invalid,,,,,C(CO)O,
,,,EDO:A:476,invalid,,,,,C(CO)O,
,,,EDO:A:477,invalid,,,,,C(CO)O,
,,,EDO:A:478,invalid,,,,,C(CO)O,
,,,EDO:A:479,invalid,,,,,C(CO)O,
,,,EDO:A:480,invalid,,,,,C(CO)O,
,,,EDO:A:481,invalid,,,,,C(CO)O,
,,,EDO:A:482,invalid,,,,,C(CO)O,
,,,EDO:A:483,invalid,,,,,C(CO)O,
,,,EDO:B:474,invalid,,,,,C(CO)O,
,,,EDO:B:475,invalid,,,,,C(CO)O,
,,,EDO:B:476,invalid,,,,,C(CO)O,
,,,EDO:B:477,invalid,,,,,C(CO)O,
,,,EDO:B:478,invalid,,,,,C(CO)O,
,,,EDO:B:479,invalid,,,,,C(CO)O,
,,,SAM:A:484,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:480,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3EGV,,,,,,,
,,,4MM:B:1,invalid,,,,,C[N+](C)(C)[C@@H](CCSC)C(=O)O,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,IOD:B:201,invalid,,,,,[I-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3CJT,,,,,,,
,,,2MM:B:149,invalid,,,,,CN(C)[C@@H](CCSC)C(=O)O,
,,,2MM:F:149,invalid,,,,,CN(C)[C@@H](CCSC)C(=O)O,
,,,2MM:J:148,invalid,,,,,CN(C)[C@@H](CCSC)C(=O)O,
,,,2MM:M:257,invalid,,,,,CN(C)[C@@H](CCSC)C(=O)O,
,,,CL:A:256,invalid,,,,,[Cl-],
,,,CL:A:257,invalid,,,,,[Cl-],
,,,CL:I:257,invalid,,,,,[Cl-],
,,,CL:I:258,invalid,,,,,[Cl-],
,,,EDO:A:259,invalid,,,,,C(CO)O,
,,,EDO:B:150,invalid,,,,,C(CO)O,
,,,NO3:A:255,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:148,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:255,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:148,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:I:255,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:I:256,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:M:255,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:N:148,invalid,,,,,[N+](=O)([O-])[O-],
,,,SAH:A:258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:256,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:I:259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:M:256,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAM:C:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:G:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:K:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:O:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3CJR,,,,,,,
,,,SFG:A:255,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,2EFJ,,,,,,,
,,,37T:A:502,valid,,,,,Cn1cnc2c1C(=O)NC(=O)N2C,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5JIY,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5JHN,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5JJ0,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5JIN,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,SAM:B:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1205,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3TLJ,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3TM5,,,,,,,
,,,SFG:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,3TM4,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5DLY,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5D7:A:300,valid,,,,,[H]/N=C(/N)NCCC[C@@H](c1nc(cs1)C(=O)OCC=C)N,
,,5DM0,,,,,,,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5D8:A:303,valid,,,,,[H]/N=C(N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N,
,,,5D8:B:303,valid,,,,,[H]/N=C(N)/NCCC[C@@H](c1nc(cs1)c2nc(c(o2)C)c3nc(cs3)C(=O)OCC)N,
,,4KVZ,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1WG8,,,,,,,
,,,SAM:A:3142,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:3141,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
2.6.1.19,,,,,,,,,
,Family. Representative Entry is ,4ZSY,,,,,,,
,,,FSF:A:501,invalid,,,,,O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3,
,,,FSF:D:501,invalid,,,,,O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3,
,,,RW2:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:C:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:D:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,4ZSW,,,,,,,
,,,FSF:A:501,invalid,,,,,O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3,
,,,FSF:C:501,invalid,,,,,O1[Fe][Fe][S@]2[Fe@]13[Fe]2S3,
,,,RW2:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:C:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,ACT:C:503,invalid,,,,,CC(=O)[O-],
,,4Y0D,,,,,,,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,RW2:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:C:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,RW2:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,6B6G,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,RMT:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CC(=C[C@H]2C(=O)O)C(=O)O)O,
,,,RMT:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CC(=C[C@H]2C(=O)O)C(=O)O)O,
,,,RMT:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CC(=C[C@H]2C(=O)O)C(=O)O)O,
,,,RMT:C:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CC(=C[C@H]2C(=O)O)C(=O)O)O,
,,,ACT:C:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:D:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,1SFF,,,,,,,
,,,EDO:A:1401,invalid,,,,,C(CO)O,
,,,EDO:A:1406,invalid,,,,,C(CO)O,
,,,EDO:A:1410,invalid,,,,,C(CO)O,
,,,EDO:A:1411,invalid,,,,,C(CO)O,
,,,EDO:B:1402,invalid,,,,,C(CO)O,
,,,EDO:B:1405,invalid,,,,,C(CO)O,
,,,EDO:B:1414,invalid,,,,,C(CO)O,
,,,EDO:C:1403,invalid,,,,,C(CO)O,
,,,EDO:C:1407,invalid,,,,,C(CO)O,
,,,EDO:C:1409,invalid,,,,,C(CO)O,
,,,EDO:D:1404,invalid,,,,,C(CO)O,
,,,EDO:D:1408,invalid,,,,,C(CO)O,
,,,EDO:D:1412,invalid,,,,,C(CO)O,
,,,EDO:D:1413,invalid,,,,,C(CO)O,
,,,IK2:A:450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,IK2:B:450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,IK2:C:450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,IK2:D:450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,SO4:A:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SZS,,,,,,,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1223,invalid,,,,,C(CO)O,
,,,EDO:A:1225,invalid,,,,,C(CO)O,
,,,EDO:A:1228,invalid,,,,,C(CO)O,
,,,EDO:A:1232,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,EDO:B:1219,invalid,,,,,C(CO)O,
,,,EDO:B:1229,invalid,,,,,C(CO)O,
,,,EDO:C:1224,invalid,,,,,C(CO)O,
,,,EDO:C:1226,invalid,,,,,C(CO)O,
,,,EDO:C:1230,invalid,,,,,C(CO)O,
,,,EDO:D:1220,invalid,,,,,C(CO)O,
,,,EDO:D:1221,invalid,,,,,C(CO)O,
,,,EDO:D:1222,invalid,,,,,C(CO)O,
,,,EDO:D:1227,invalid,,,,,C(CO)O,
,,,EDO:D:1231,invalid,,,,,C(CO)O,
,,,PLP:B:1262,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1263,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1264,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP PMP:A:1261,valid,,,,,P(=O)(OCc1c(C[NH3+])c(O)c(C)nc1)([O-])[O-].P(=O)(OCc1c(C)c(O)c(C)nc1)([O-])[O-],
,,,PMP:B:1272,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:1273,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:1274,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
1.6.4.8,,,,,,,,,
,Family. Representative Entry is ,1BZL,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GCG:A:603,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,,GCG:A:604,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,1AOG,,,,,,,
,,,FAD:A:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MAE:A:500,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:A:501,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,Family. Representative Entry is ,1FEC,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1FEA,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2TPR,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1FEB,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.6.-.-,,,,,,,,,
,Family. Representative Entry is ,3QKT,,,,,,,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,4NCJ,,,,,,,
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:C:901,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:D:901,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:A:901,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:B:901,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,Family. Representative Entry is ,4WW7,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,4WW9,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4WW5,,,,,,,
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4 SO4:B:202,invalid,,,,,,
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4XVU,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:G:402,Part of Protein,,,,,[Mg+2],
,,,MG:H:402,Part of Protein,,,,,[Mg+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:G:403,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4XTR,,,,,,,
,,,ATP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3TK1,,,,,,,
,,,CL:B:328,invalid,,,,,[Cl-],
,,,GDP:A:327,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:327,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
3.4.21.107,,,,,,,,,
,Family. Representative Entry is ,2R3Y,,,,,,,
,,,ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE:D:407,valid,Kd,=,6.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE:E:407,valid,Kd,=,6.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE:F:407,valid,Kd,=,6.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C)C)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)Cc1ccccc1,
,,6EW9,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,invalid,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,invalid,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:C:402,invalid,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:Q:6,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:P:6,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:R:6,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,1SOZ,,,,,,,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:D:407,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:E:407,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,3GDV,,,,,,,
,,,TYR GLN PHE:D:408,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,TYR GLN PHE:E:408,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,TYR GLN PHE:F:408,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,4RQZ,,,,,,,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:D:408,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:E:407,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
,,,ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE:F:408,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)C(C)C)Cc1ccc(O)cc1)CCC(=O)N)Cc1ccccc1,
3.5.99.7,,,,,,,,,
,Family. Representative Entry is ,1TZJ,,,,,,,
,,,A3B:A:501,valid,,,,,C=C[C@H](C(=O)[O-])[NH3+],
,,,A3B:C:502,valid,,,,,C=C[C@H](C(=O)[O-])[NH3+],
,,,PLP:A:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TZK,,,,,,,
,,,2KT:A:501,valid,,,,,CCC(=O)C(=O)O,
,,,2KT:C:502,valid,,,,,CCC(=O)C(=O)O,
,,,PLP:A:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TZM,,,,,,,
,,,C2N:A:501,valid,,,,,C([C@H](C(=O)O)N)Cl,
,,,C2N:C:502,valid,,,,,C([C@H](C(=O)O)N)Cl,
,,,PLP:B:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:401,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP NAK:A:401,Part of Protein,,,,,,
,,,PLP NAK:C:401,Part of Protein,,,,,,
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:702,invalid,,,,,[O-]S(=O)(=O)[O-],
1.13.11.32,,,,,,,,,
,Family. Representative Entry is ,6E2A,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2GJL,,,,,,,
,,,FMN:A:1904,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2GJN,,,,,,,
,,,FMN:A:1904,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NIS:A:500,valid,,,,,CC(C)[N+](=O)[O-],
3.1.3.46,,,,,,,,,
,Family. Representative Entry is ,1TIP,,,,,,,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,1C80,,,,,,,
,,,GTP:A:356,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1C81,,,,,,,
,,,FDQ:A:441,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H](O1)CP(=O)(O)O)O)O)OP(=O)(O)O,
2.3.1.9,,,,,,,,,
,Family. Representative Entry is ,2WKV,,,,,,,
,,,COA:A:1397,valid,Kd,=,128,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1399,valid,Kd,=,128,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1393,valid,Kd,=,128,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1395,valid,Kd,=,128,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:A:1396,Part of Protein,,,,,[Na+],
,,,NA:B:1398,Part of Protein,,,,,[Na+],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VU0,,,,,,,
,,,COA:A:1393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:1394,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M1O,,,,,,,
,,,CAA:A:1393,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:2393,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:9720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QFL,,,,,,,
,,,COA:A:393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:723,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:724,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M3Z,,,,,,,
,,,ACO:A:1393,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2393,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:3393,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:4393,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:9720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DM3,,,,,,,
,,,ACO:A:813,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:814,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:815,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:816,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NL7,,,,,,,
,,,COA:A:1393,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:5939,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:9720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9722,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VTZ,,,,,,,
,,,COA:A:1393,valid,Kd,=,307,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1393,valid,Kd,=,307,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1393,valid,Kd,=,307,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1393,valid,Kd,=,307,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OU6,,,,,,,
,,,168:A:5001,valid,,,,,CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O,
,,,168:B:6001,valid,,,,,CC(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C(C)(C)C)O,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VU1,,,,,,,
,,,NA:A:1394,Part of Protein,,,,,[Na+],
,,,OPI:A:1393,valid,,,,,CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O,
,,,OPI:B:1393,valid,,,,,CC(C)(C)C(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCO)O,
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DLV,,,,,,,
,,,COA:A:1001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:3001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:4001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5006,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,7CW5,,,,,,,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4XL4,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2WL5,,,,,,,
,,,CL:B:1400,invalid,,,,,[Cl-],
,,,COA:A:1399,valid,Kd,=,30,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1399,valid,Kd,=,30,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DNO:A:1398,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,,DNO:C:1397,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,,DNO:C:1398,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,,DNO:C:1399,invalid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,,NA:B:1398,Part of Protein,,,,,[Na+],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2IBY,,,,,,,
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,CL:B:2001,invalid,,,,,[Cl-],
,,,CL:C:2004,invalid,,,,,[Cl-],
,,,CL:D:2003,invalid,,,,,[Cl-],
,,,COA:A:6001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:6002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:6003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:6004,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4002,invalid,,,,,C(C(CO)O)O,
,,,K:A:3001,Part of Protein,,,,,[K+],
,,,K:B:3002,Part of Protein,,,,,[K+],
,,,K:C:3003,Part of Protein,,,,,[K+],
,,,K:D:3004,Part of Protein,,,,,[K+],
,,,MES:A:5001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2IBU,,,,,,,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,CL:C:2004,invalid,,,,,[Cl-],
,,,CL:D:2003,invalid,,,,,[Cl-],
,,,COA:A:6001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:6002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:6003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:6004,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,2IBW,,,,,,,
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,CL:B:2001,invalid,,,,,[Cl-],
,,,CL:C:2004,invalid,,,,,[Cl-],
,,,CL:D:2003,invalid,,,,,[Cl-],
,,,COA:A:6001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:6002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:6003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:6004,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,K:A:3001,Part of Protein,,,,,[K+],
,,,K:B:3002,Part of Protein,,,,,[K+],
,,,K:C:3003,Part of Protein,,,,,[K+],
,,,K:D:3004,Part of Protein,,,,,[K+],
,,,MES:A:5001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,2WL4,,,,,,,
,,,CL:B:1400,invalid,,,,,[Cl-],
,,,CL:C:1396,invalid,,,,,[Cl-],
,,,CL:D:1399,invalid,,,,,[Cl-],
,,,COA:A:1402,valid,Kd,=,64,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1401,valid,Kd,=,64,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:C:1394,Part of Protein,,,,,[Na+],
,,,NA:C:1395,Part of Protein,,,,,[Na+],
,,,NA:D:1398,Part of Protein,,,,,[Na+],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1WL4,,,,,,,
,,,COA:A:1001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WKT,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,COA:A:1397,valid,Kd,=,49,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1398,valid,Kd,=,49,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1394,valid,Kd,=,49,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1395,valid,Kd,=,49,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,K:A:1395,invalid,,,,,[K+],
,,,NA:C:1393,Part of Protein,,,,,[Na+],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4O9C,,,,,,,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
4.1.2.50,,,,,,,,,
,Family. Representative Entry is ,4NTM,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,2K8:E:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:F:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:A:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:C:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:B:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,,,2K8:D:202,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C(=O)O,
,Family. Representative Entry is ,4NTK,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZSP:C:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ZSP:F:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ZSP:A:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ZSP:B:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ZSP:E:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ZSP:D:202,valid,,,,,C/C(=C(C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:C:203,invalid,,,,,CC(=O)[O-],
,,,ACT:D:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:E:203,invalid,,,,,CC(=O)[O-],
3.1.1.43,,,,,,,,,
,Family. Representative Entry is ,1NX9,,,,,,,
,,,AIC:A:5001,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,AIC:B:5002,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,AIC:C:5003,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,AIC:D:5004,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,GOL:A:6002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6004,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6006,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6008,invalid,,,,,C(C(CO)O)O,
2.3.1.97,,,,,,,,,
,Family. Representative Entry is ,2YNE,,,,,,,
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:C:1411,Part of Protein,,,,,[Mg+2],
,,,MG:B:1411,Part of Protein,,,,,[Mg+2],
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,,YNE:C:1001,valid,Ki,=,2.7,nM,Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,YNE:A:1001,valid,Ki,=,2.7,nM,Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,YNE:B:1001,valid,Ki,=,2.7,nM,Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,CL:A:1414,invalid,,,,,[Cl-],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,CL:A:1413,invalid,,,,,[Cl-],
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CAF,,,,,,,
,,,370:B:1411,valid,Ki,=,75,nM,Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,370:C:1411,valid,Ki,=,75,nM,Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,370:A:1411,valid,Ki,=,75,nM,Cc1c(c(n[nH]1)C)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,CL:A:1417,invalid,,,,,[Cl-],
,,,CL:B:1416,invalid,,,,,[Cl-],
,,,CL:C:1415,invalid,,,,,[Cl-],
,,,MG:B:1414,Part of Protein,,,,,[Mg+2],
,,,MG:C:1413,Part of Protein,,,,,[Mg+2],
,,,MG:A:1415,Part of Protein,,,,,[Mg+2],
,,,NH4:B:1415,invalid,,,,,[NH4+],
,,,NH4:A:1416,invalid,,,,,[NH4+],
,,,NH4:C:1414,invalid,,,,,[NH4+],
,,,DMS:B:1412,invalid,,,,,CS(=O)C,
,,,DMS:A:1412,invalid,,,,,CS(=O)C,
,,,DMS:C:1412,invalid,,,,,CS(=O)C,
,,,DMS:B:1413,invalid,,,,,CS(=O)C,
,,,DMS:A:1413,invalid,,,,,CS(=O)C,
,,,NHW:C:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B10,,,,,,,
,,,CL:A:1411,invalid,,,,,[Cl-],
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,CL:C:1411,invalid,,,,,[Cl-],
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,DMS:B:1001,invalid,,,,,CS(=O)C,
,,,DMS:C:1001,invalid,,,,,CS(=O)C,
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,,MG:B:1413,Part of Protein,,,,,[Mg+2],
,,,MG:C:1412,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BBH,,,,,,,
,,,CL:A:1412,invalid,,,,,[Cl-],
,,,CL:B:1411,invalid,,,,,[Cl-],
,,,CL:C:1411,invalid,,,,,[Cl-],
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,MG:A:1413,Part of Protein,,,,,[Mg+2],
,,,MG:B:1412,Part of Protein,,,,,[Mg+2],
,,,MG:C:1412,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YBN:A:1001,valid,Ki,=,0.08,uM,COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4,
,,,YBN:B:1001,valid,Ki,=,0.08,uM,COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4,
,,,YBN:C:1001,valid,Ki,=,0.08,uM,COc1cccc(c1)COC(=O)c2c(c3ccccc3s2)OC4CCNCC4,
,,6MAY,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:C:502,invalid,,,,,[Cl-],
,,,YNC:A:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:B:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:C:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,2YND,,,,,,,
,,,MG:C:1414,Part of Protein,,,,,[Mg+2],
,,,MG:B:1414,Part of Protein,,,,,[Mg+2],
,,,MG:A:1415,Part of Protein,,,,,[Mg+2],
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,646:B:1001,valid,Ki,=,32,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,646:C:1001,valid,Ki,=,32,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,646:A:1001,valid,Ki,=,32,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,CL:A:1416,invalid,,,,,[Cl-],
,,,CL:B:1415,invalid,,,,,[Cl-],
,,,CL:C:1415,invalid,,,,,[Cl-],
,,5G22,,,,,,,
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,,MG:B:1411,Part of Protein,,,,,[Mg+2],
,,,MG:C:1411,Part of Protein,,,,,[Mg+2],
,,,YN4:C:1001,valid,Ki,=,0.1,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4,
,,,YN4:A:1001,valid,Ki,=,0.1,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4,
,,,YN4:B:1001,valid,Ki,=,0.1,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4,
,,,CL:A:1413,invalid,,,,,[Cl-],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B11,,,,,,,
,,,7I1:A:999,valid,ic50,=,2.3,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5,
,,,7I1:B:999,valid,ic50,=,2.3,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5,
,,,7I1:C:999,valid,ic50,=,2.3,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)NCc4cccc5c4cccc5,
,,,CL:A:1412,invalid,,,,,[Cl-],
,,,CL:B:1411,invalid,,,,,[Cl-],
,,,CL:C:1411,invalid,,,,,[Cl-],
,,,CL:C:1414,invalid,,,,,[Cl-],
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,DMS:B:1001,invalid,,,,,CS(=O)C,
,,,DMS:C:1001,invalid,,,,,CS(=O)C,
,,,MG:A:1413,Part of Protein,,,,,[Mg+2],
,,,MG:B:1412,Part of Protein,,,,,[Mg+2],
,,,MG:C:1412,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MB1,,,,,,,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,JCY:C:502,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,JCY:B:502,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,JCY:A:502,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,YNC:A:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:B:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:C:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,4CAE,,,,,,,
,,,3F3:A:1414,valid,Ki,=,18,nM,COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,3F3:C:1413,valid,Ki,=,18,nM,COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,3F3:B:1414,valid,Ki,=,18,nM,COc1cccc(c1)Cc2nnc(o2)c3c(c4ccccc4s3)OC5CCNCC5,
,,,MG:C:1411,Part of Protein,,,,,[Mg+2],
,,,MG:B:1412,Part of Protein,,,,,[Mg+2],
,,,MG:A:1411,Part of Protein,,,,,[Mg+2],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,CL:A:1413,invalid,,,,,[Cl-],
,,,CL:B:1413,invalid,,,,,[Cl-],
,,,CL:A:1412,invalid,,,,,[Cl-],
,,,NHW:B:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DMS:A:1415,invalid,,,,,CS(=O)C,
,,,DMS:B:1415,invalid,,,,,CS(=O)C,
,,,DMS:C:1414,invalid,,,,,CS(=O)C,
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5O48,,,,,,,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NHW:C:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:C:503,invalid,,,,,CS(=O)C,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,MG:B:506,Part of Protein,,,,,[Mg+2],
,,,MG:C:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:506,Part of Protein,,,,,[Mg+2],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,9K2:C:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,,9K2:B:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,,9K2:A:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,4B12,,,,,,,
,,,C23:A:1411,valid,ic50,=,10.2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4,
,,,C23:B:1411,valid,ic50,=,10.2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4,
,,,C23:C:1411,valid,ic50,=,10.2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)CCc4ccccc4,
,,,CL:A:1416,invalid,,,,,[Cl-],
,,,CL:B:1417,invalid,,,,,[Cl-],
,,,CL:C:1415,invalid,,,,,[Cl-],
,,,DMS:A:1413,invalid,,,,,CS(=O)C,
,,,DMS:A:1414,invalid,,,,,CS(=O)C,
,,,DMS:A:1415,invalid,,,,,CS(=O)C,
,,,DMS:B:1413,invalid,,,,,CS(=O)C,
,,,DMS:B:1414,invalid,,,,,CS(=O)C,
,,,DMS:B:1415,invalid,,,,,CS(=O)C,
,,,DMS:C:1413,invalid,,,,,CS(=O)C,
,,,DMS:C:1414,invalid,,,,,CS(=O)C,
,,,MG:A:1417,Part of Protein,,,,,[Mg+2],
,,,MG:B:1418,Part of Protein,,,,,[Mg+2],
,,,MG:C:1416,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:1416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MB0,,,,,,,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,JCY:B:503,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,JCY:A:502,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,JCY:C:502,valid,,,,,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c(nn4C)CN(C)C)F,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,YNC:A:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:B:502,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:C:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,5O4V,,,,,,,
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,NHW:C:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,9KZ:C:507,valid,,,,,CCOC(=O)c1c(c2ccccc2nc1C)C,
,,,9KZ:A:508,valid,,,,,CCOC(=O)c1c(c2ccccc2nc1C)C,
,,,9KZ:B:507,valid,,,,,CCOC(=O)c1c(c2ccccc2nc1C)C,
,,,DMS:C:503,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,9K2:C:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,,9K2:B:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,,9K2:A:502,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)c(n[nH]3)CN(C)C)F,
,,5G1Z,,,,,,,
,,,DMS:C:1412,invalid,,,,,CS(=O)C,
,,,DMS:A:1411,invalid,,,,,CS(=O)C,
,,,DMS:B:1411,invalid,,,,,CS(=O)C,
,,,DMS:C:1411,invalid,,,,,CS(=O)C,
,,,SO4:A:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U53:C:1001,valid,Ki,=,4.74,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC,
,,,U53:B:1001,valid,Ki,=,4.74,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC,
,,,U53:A:1001,valid,Ki,=,4.74,uM,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OC,
,,,CL:A:1415,invalid,,,,,[Cl-],
,,,CL:C:1414,invalid,,,,,[Cl-],
,,,CL:B:1413,invalid,,,,,[Cl-],
,,,NHW:C:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:C:1413,Part of Protein,,,,,[Mg+2],
,,,MG:B:1412,Part of Protein,,,,,[Mg+2],
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,6NXG,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,OXM:A:503,invalid,,,,,C(=O)(C(=O)O)N,
,,,L7Y:B:503,valid,,,,,c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4,
,,,L7Y:A:504,valid,,,,,c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4,
,,,BME:A:506,invalid,,,,,C(CS)O,
,,,BME:C:502,invalid,,,,,C(CS)O,
,,,BME:B:506,invalid,,,,,C(CS)O,
,,,MYA:A:505,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:C:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:504,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,4B13,,,,,,,
,,,CL:A:1413,invalid,,,,,[Cl-],
,,,CL:B:1414,invalid,,,,,[Cl-],
,,,CL:C:1413,invalid,,,,,[Cl-],
,,,MG:A:1414,Part of Protein,,,,,[Mg+2],
,,,MG:B:1415,Part of Protein,,,,,[Mg+2],
,,,MG:C:1414,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1412,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X25:A:1411,valid,ic50,=,2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5,
,,,X25:B:1411,valid,ic50,=,2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5,
,,,X25:C:1411,valid,ic50,=,2,uM,Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5,
,,4A95,,,,,,,
,,,9MT:A:1000,valid,Ki,=,1.73,uM,CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C,
,,,9MT:B:1000,valid,Ki,=,1.73,uM,CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C,
,,,9MT:C:1000,valid,Ki,=,1.73,uM,CCCCc1c(nc2ccc(cc2c1SCCC#N)OC)C,
,,,CL:A:1411,invalid,,,,,[Cl-],
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,CL:C:1411,invalid,,,,,[Cl-],
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,,MG:B:1413,Part of Protein,,,,,[Mg+2],
,,,MG:C:1412,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1001,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1001,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B14,,,,,,,
,,,4XB:A:1001,valid,ic50,=,0.6,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC,
,,,4XB:B:1001,valid,ic50,=,0.6,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC,
,,,4XB:C:1001,valid,ic50,=,0.6,uM,Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC,
,,,CL:A:1412,invalid,,,,,[Cl-],
,,,CL:B:1413,invalid,,,,,[Cl-],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,MG:A:1413,Part of Protein,,,,,[Mg+2],
,,,MG:B:1414,Part of Protein,,,,,[Mg+2],
,,,MG:C:1413,Part of Protein,,,,,[Mg+2],
,,,NHW:A:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C68,,,,,,,
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:B:1414,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,DMS:A:1415,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,MG:B:1413,Part of Protein,,,,,[Mg+2],
,,,MG:A:1413,Part of Protein,,,,,[Mg+2],
,,,MG:C:1415,Part of Protein,,,,,[Mg+2],
,,,FMT:A:997,invalid,,,,,C(=O)O,
,,,CL:C:1414,invalid,,,,,[Cl-],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,CL:C:1413,invalid,,,,,[Cl-],
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,CL:A:1412,invalid,,,,,[Cl-],
,,,EN5:A:1000,valid,,,,,C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN,
,,,EN5:B:1000,valid,,,,,C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN,
,,,NHW:A:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:B:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NHW:C:1411,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MAZ,,,,,,,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,646:A:503,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,646:B:501,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,646:C:502,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,YNC:A:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:B:502,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:C:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,Family. Representative Entry is ,2WSA,,,,,,,
,,,646:A:1423,valid,Kd,=,1,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,MYA:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5AG5,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DLR:A:1422,valid,,,,,c1ccc(cc1)CN2[C@H](SCC2=O)c3ccc4c(c3)cn[nH]4,
,,4CYO,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,UEK:A:1000,valid,Ki,=,1.6,nM,c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)N)Cl,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,4A2Z,,,,,,,
,,,CL:A:1425,invalid,,,,,[Cl-],
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,MYA:A:1424,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,VIQ:A:1423,valid,,,,,Cc1cc(c(c(c1S(=O)(=O)Nc2c(nn(c2C)C)C)C)C)OC,
,,4UCP,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,9X3:A:1422,valid,Kd,=,200,uM,CNCc1cccc(c1)CN2CCOCC2,
,,4A33,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PS8:A:1422,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl,
,,6QDH,,,,,,,
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,HZ8:A:1004,valid,,,,,CCN(C)c1c2ccccc2nc(n1)N(C)C3CCN(CC3)C,
,,,HZ5:A:1003,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)C,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXQ:A:1002,valid,,,,,CCN(C)c1c2cc(ccc2nc(n1)N(C)C3CCN(CC3)C)S(=O)(=O)Nc4c(nn(c4C)C)C,
,,6QDA,,,,,,,
,,,HWZ:A:1004,valid,ic50,=,0.24,uM,CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N,
,,,HWZ:A:1003,valid,ic50,=,0.24,uM,CN1CCC(CC1)N(C)c2nc3ccccc3c(n2)N(C)CCC#N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4CYP,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,A62:A:1000,valid,,,,,c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)O)Cl,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,6QDG,,,,,,,
,,,HXN:A:1003,valid,,,,,CN(C)CCCN(C)c1nc2ccc(cc2c(n1)N(C)CCC#N)Br,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4UCM,,,,,,,
,,,MYA:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,X6W:A:1423,valid,Kd,=,180,uM,CNCc1cc(nn1C)c2ccccc2,
,,5G21,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,YN4:A:1002,valid,,,,,CCOC(=O)c1cnc2ccc(cc2c1SCCC#N)OCc3ccc(nc3)N4CCNCC4,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,6GNS,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,F65:A:1002,valid,,,,,CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3cc(ccc3N4CCCCCC4)C(=O)OC,
,,4CYQ,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,YAU:A:1000,valid,Ki,=,59,nM,c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)Cc4ccc(cc4)F)Cl)CO)O)Cl,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,6QDD,,,,,,,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXW:A:1004,valid,,,,,CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N4C=CC[C@H]4CC#N,
,,4CGP,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:1422,Part of Protein,,,,,[Mg+2],
,,6GNT,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,F5Q:A:1003,valid,,,,,CN1CCC(CC1)CCCCc2ccc(cc2)S(=O)(=O)Nc3c4cccnc4ccc3N5CCCC5,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2WUU,,,,,,,
,,,NHW:A:1422,valid,ic50,=,68.7,nM,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5AG6,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,5PE:A:1422,valid,,,,,COc1cc(ccc1O)[C@@H]2N(C(=O)CS2)Cc3ccccn3,
,,4CGL,,,,,,,
,,,A6K:A:1000,valid,ic50,=,0.031,uM,c1cc(ccc1C[C@H](CC(=O)N2C[C@@H]([C@H](C2)c3ccc(cc3)Cl)CO)N)Cl,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,6QDC,,,,,,,
,,,HXE:A:1003,valid,ic50,=,0.62,uM,CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N,
,,,HXE:A:1004,valid,ic50,=,0.62,uM,CCN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5AGE,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,M9M:A:1422,valid,,,,,Cc1cc(no1)CN2c3ccc(cc3OCC2=O)CCCCC4CCN(CC4)C,
,,6GNU,,,,,,,
,,,F5Z:A:502,valid,,,,,CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cccn2,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6EU5,,,,,,,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,BXN:A:502,valid,Ki,=,2,nM,Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl,
,,5A27,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,TUT:A:1002,valid,Ki,=,0.02,uM,[H]/N=C(Cc1cccc(c1)OC)/NC(=O)c2cc(ccc2OC3CCNCC3)Cl,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,6QD9,,,,,,,
,,,HWT:A:1002,valid,ic50,=,2.7,uM,CN(C)CCCN(C)c1nc2ccsc2c(n1)N(C)CCC#N,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6QDE,,,,,,,
,,,HWW:A:502,valid,,,,,CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N,
,,,HWW:A:503,valid,,,,,CC(C)(C)c1cc2c(s1)c(nc(n2)N(C)CCCN(C)C)N(C)CCC#N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MYA:A:504,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4A32,,,,,,,
,,,2CD:A:1423,valid,,,,,CCN(CC)Cc1cccc(c1)c2cc(c(c(c2)Cl)S(=O)(=O)Nc3c(nn(c3C)C)C)Cl,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,MYA:A:1424,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4C7H,,,,,,,
,,,DMS:A:1428,invalid,,,,,CS(=O)C,
,,,DMS:A:1427,invalid,,,,,CS(=O)C,
,,,MG:A:1422,Part of Protein,,,,,[Mg+2],
,,,COA:A:1424,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ENF:A:1426,valid,,,,,CCCCCCCCCCCCCC(=O)NCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC1CCCCC1,
,,,EN5:A:1423,valid,,,,,C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCN,
,,,MYA:A:1425,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6QDB,,,,,,,
,,,HWQ:A:1002,valid,,,,,CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3,
,,,HWQ:A:1003,valid,,,,,CN(CCC#N)c1c2c(ccs2)nc(n1)N(C)C3CCNCC3,
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4UCN,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,JRB:A:1422,valid,,,,,c1ccc(c(c1)N)N2CCNCC2,
,,4C7I,,,,,,,
,,,MYA:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DMS:A:1425,invalid,,,,,CS(=O)C,
,,,DMS:A:1426,invalid,,,,,CS(=O)C,
,,,MG:A:1423,Part of Protein,,,,,[Mg+2],
,,,JJ1:A:1424,valid,,,,,C1CCC(CC1)CCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)CCCCCCCCCO,
,,6GNV,,,,,,,
,,,F5E:A:502,valid,,,,,CC(C)Cc1ccc2c(c1NS(=O)(=O)c3ccc(cc3)CCCCC4CCN(CC4)C)cn(n2)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4CGN,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,7AH:A:1000,valid,ic50,=,0.55,uM,c1cc(ccc1CC(=O)Nc2ccc3c(c2)c(c[nH]3)C4CCNCC4)F,
,,5AG4,,,,,,,
,,,N8N:A:1423,valid,,,,,c1ccnc(c1)[C@H]2N(C(=O)CS2)c3cccc(c3)Cl,
,,,MYA:A:1422,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5G20,,,,,,,
,,,MYA:A:1423,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:1422,Part of Protein,,,,,[Mg+2],
,,,QBY:A:1424,valid,,,,,CCSc1c2cc(ccc2ncc1C(=O)N3CCOCC3)OCc4ccccc4,
,,,DMS:A:1425,invalid,,,,,CS(=O)C,
,,6EWF,,,,,,,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,31A:A:502,valid,,,,,[H]/N=C(Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3,
,,4A30,,,,,,,
,,,CL:A:1422,invalid,,,,,[Cl-],
,,,GOL:A:1423,invalid,,,,,C(C(CO)O)O,
,,,MYA:A:1425,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,QMI:A:1424,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl,
,,4CGM,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CWZ:A:1000,valid,ic50,=,1.02,uM,c1cc(cc(c1)c2cccc(c2)CN3CCc4c(scn4)C3)CNCCc5cccnc5,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,4A31,,,,,,,
,,,2CB:A:1423,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2ccc(nc2)NCCN3CCN(CC3)C,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,MYA:A:1424,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5A28,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,TUQ:A:1002,valid,Ki,=,0.01,uM,Cc1c(c(n(n1)C)C)Cc2nnc(o2)c3cc(ccc3OC4CCNCC4)Cl,
,,6QDF,,,,,,,
,,,HWN:A:1003,valid,ic50,=,1.2,uM,CC(C)(C)C1=Sc2c(nc(nc2N(C)CCC#N)N(C)[C@H]3CCN(C3)C)C1,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4CGO,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,6KV:A:1422,valid,ic50,=,0.299,uM,CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N,
,,,6KV:A:1423,valid,ic50,=,0.299,uM,CN1CCC(CC1)N(C)c2nc3ccsc3c(n2)N(C)CCC#N,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,4CYN,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,A6M:A:1000,valid,Ki,=,1406,nM,c1cc(ccc1C[C@H](CC(=O)N2C[C@H]([C@@H](C2)c3ccc(cc3)Cl)CO)N)Cl,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,6GNH,,,,,,,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,F4T:A:1002,valid,,,,,COc1ccc(cc1)S(=O)(=O)Nc2cc(ccc2N3CCCCCC3)C(=O)OC,
,Family. Representative Entry is ,5MU6,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,KFK:A:505,valid,Kd,<,210,pM,Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C,
,,,KFK:B:505,valid,Kd,<,210,pM,Cc1c(c(n(n1)C)C)CCOc2c(ccc(c2F)F)c3ccc4c(c3)c(nn4C)CN(C)C,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6FZ5,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,BXN:A:1000,valid,Ki,=,430,nM,Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl,
,,,BXN:B:1000,valid,Ki,=,430,nM,Cc1c(c(n(n1)C)C)N(C)S(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN4CCC[C@@H]4C3)Cl,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:B:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6QRM,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GLY ASN CYS PHE SER LYS ARG ARG ALA ALA MYR:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])CO)Cc1ccccc1,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,GLY ASN CYS PHE SER LYS ARG ARG ALA ALA:D:1,valid,,,,,SCC(NC(=O)C(NC(=O)C[NH3+])CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)CO)Cc1ccccc1,
,,4C2Y,,,,,,,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:1499,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1499,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MYA:A:1497,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:1497,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:1498,Part of Protein,,,,,[Mg+2],
,,,MG:B:1498,Part of Protein,,,,,[Mg+2],
,,6SK2,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACE GLY LYS SER PHE SER LYS PRO ARG MYR:D:101,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)CCCC[NH2+]C(=O)CCCCCCCCCCCCC)CO)Cc2ccccc2)CO)CCCC[NH3+])CCC1)C,
,,,ACE GLY LYS SER PHE SER LYS PRO ARG:F:101,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)CCCC[NH3+])CO)Cc2ccccc2)CO)C)CCC1)C,
,,4C2Z,,,,,,,
,,,CIT:B:1500,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1500,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,646:B:1498,valid,ic50,=,17,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,646:A:1498,valid,ic50,=,17,nM,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCNCC4)Cl,
,,,MYA:A:1497,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:1497,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,CL:B:1506,invalid,,,,,[Cl-],
,,,CL:B:1507,invalid,,,,,[Cl-],
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:B:1505,invalid,,,,,[Cl-],
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,CL:A:1503,invalid,,,,,[Cl-],
,,,CL:B:1503,invalid,,,,,[Cl-],
,,,CL:B:1504,invalid,,,,,[Cl-],
,,,MG:A:1499,Part of Protein,,,,,[Mg+2],
,,,MG:B:1499,Part of Protein,,,,,[Mg+2],
,,6FZ3,,,,,,,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:B:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,EBK:A:1000,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl,
,,,EBK:B:1000,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CCN(CC4)C)Cl,
,,6SJZ,,,,,,,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,ACE GLY ASN CYS PHE SER LYS PRO ARG:E:0,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,ACE GLY ASN CYS PHE SER LYS PRO ARG:F:0,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,5O6H,,,,,,,
,,,GOL:B:2010,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2007,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MYA:B:2001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:2001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:2006,Part of Protein,,,,,[Mg+2],
,,,MG:B:2008,Part of Protein,,,,,[Mg+2],
,,,DMS:A:2008,invalid,,,,,CS(=O)C,
,,,9M2:B:2007,valid,ic50,=,0.013,uM,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F,
,,,9M2:A:2005,valid,ic50,=,0.013,uM,Cc1c(c(n(n1)C)C)CCOc2cc(ccc2c3ccc4c(c3)c([nH]n4)CN(C)C)F,
,,6FZ2,,,,,,,
,,,31A:B:1000,valid,,,,,[H]/N=C(Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3,
,,,31A:A:1000,valid,,,,,[H]/N=C(Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MYA:B:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,5O9V,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GLY GLY CYS PHE SER LYS PRO LYS MYR:D:2,valid,,,,,SCC(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,GLY GLY CYS PHE SER LYS PRO LYS MYR:C:2,valid,,,,,SCC(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,5O9U,,,,,,,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GLY CYS SER VAL SER LYS LYS LYS MYR:D:2,valid,,,,,SCC(NC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CO)C(C)C)CO,
,,,GLY CYS SER VAL SER LYS LYS LYS MYR:C:2,valid,,,,,SCC(NC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CO)C(C)C)CO,
,,6SK8,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GLY ASP CYS PHE SER LYS PRO ARG:C:3,valid,,,,,SCC(NC(=O)C(NC(=O)C[NH3+])CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,GLY ASP CYS PHE SER LYS PRO ARG:D:2,valid,,,,,SCC(NC(=O)C(NC(=O)C[NH3+])CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,6F56,,,,,,,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:D:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:C:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,5O6J,,,,,,,
,,,9M8:A:2006,valid,ic50,=,4.6,nM,Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C,
,,,9M8:B:2006,valid,ic50,=,4.6,nM,Cc1c(c(n(n1)C)C)CCOc2c(cccc2F)c3ccc4c(c3)c(nn4C)CN(C)C,
,,,PO4:B:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:B:2005,Part of Protein,,,,,[Mg+2],
,,,MG:A:2005,Part of Protein,,,,,[Mg+2],
,,,MYA:B:2001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:2001,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5O9T,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,1IP CYS PHE SER LYS PRO ARG:C:1,valid,,,,,SCC(NC(=O)C(NC(=O)C)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,1IP CYS PHE SER LYS PRO ARG:D:1,valid,,,,,SCC(NC(=O)C(NC(=O)C)CC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CO)Cc1ccccc1,
,,,MYA:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6PAU,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,4PS:A:511,valid,,,,,CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,LYS VAL LEU SER LYS ILE PHE MYR:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH2+]C(=O)CCCCCCCCCCCCC)C(C)C)CC(C)C)CO)CCCC[NH3+])C(CC)C)Cc1ccccc1,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C2X,,,,,,,
,,,NHW:A:1000,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4UWJ,,,,,,,
,,,MYA:A:1494,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,7L5:A:1493,valid,,,,,Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl,
,,4QBJ,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2XQ:A:505,valid,,,,,Cc1c(oc2c1c(ccc2)OCCCNCc3cccnc3)COc4ccc(c(c4F)F)F,
,,,NHM:A:504,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4UWI,,,,,,,
,,,XMQ:A:1493,valid,,,,,Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)CCCN3CCN(CC3)C)Cl,
,,,MYA:A:1494,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1IID,,,,,,,
,,,GLY LEU TYR ALA SER LYS LEU ALA:O:697,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(C)C)Cc1ccc(O)cc1)C)CO,
,,,NHM:A:500,valid,,,,,CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NI:A:1,Part of Protein,,,,,[Ni+2],
,,,NI:A:2,Part of Protein,,,,,[Ni+2],
,,1IIC,,,,,,,
,,,MYA:A:500,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:600,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1IYK,,,,,,,
,,,MIM:A:502,valid,Ki,=,0.25,uM,Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3,
,,,MIM:B:1502,valid,Ki,=,0.25,uM,Cc1nccn1CCCCc2ccc(cc2)CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCCC3CCCCC3,
,,,MYA:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA:B:1501,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2YNC,,,,,,,
,,,YNC:A:1000,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:B:1000,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,YNC:C:1000,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCC#C)O,
,,,DMS:A:999,invalid,,,,,CS(=O)C,
,,,DMS:C:999,invalid,,,,,CS(=O)C,
,,,DMS:B:999,invalid,,,,,CS(=O)C,
,,,CL:B:1412,invalid,,,,,[Cl-],
,,,CL:A:1500,invalid,,,,,[Cl-],
,,,CL:C:1412,invalid,,,,,[Cl-],
,,,CL:A:1413,invalid,,,,,[Cl-],
,,,CL:C:1500,invalid,,,,,[Cl-],
,,,MG:A:1412,Part of Protein,,,,,[Mg+2],
,,,MG:C:1411,Part of Protein,,,,,[Mg+2],
,,,MG:B:1411,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
2.3.1.177,,,,,,,,,
,Family. Representative Entry is ,5W8Q,,,,,,,
,,,BU4:A:400,valid,,,,,C[C@H](CCO)O,
,,,BU4:B:400,valid,,,,,C[C@H](CCO)O,
,,5WC4,,,,,,,
,,,BYC:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BYC:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,BU4:A:400,valid,,,,,C[C@H](CCO)O,
,,,BU4:B:400,valid,,,,,C[C@H](CCO)O,
5.99.1.2,,,,,,,,,
,Family. Representative Entry is ,1CY2,,,,,,,
,,,PO4:A:700,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TMP:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:601,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1CY0,,,,,,,
,,,A3P:A:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,1CY6,,,,,,,
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,T3P:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O,
,,1CY1,,,,,,,
,,,PO4:A:700,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,THP:A:601,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,,TMP:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:602,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1CY8,,,,,,,
,,,PO4:A:700,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,T3P:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O,
,,,TMP:A:601,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1CY7,,,,,,,
,,,PO4:A:700,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TMP:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:601,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:602,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
1.14.13.156,,,,,,,,,
,Family. Representative Entry is ,4L77,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:B:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CNL:B:502,valid,Kd,=,12.6,uM,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:A:502,valid,Kd,=,12.6,uM,CC1(C2CCC(O1)(CC2)C)C,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,4FMX,,,,,,,
,,,CNL:A:502,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:B:502,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L6G,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:B:505,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CNL:B:502,valid,Kd,=,161,uM,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:A:502,valid,Kd,=,161,uM,CC1(C2CCC(O1)(CC2)C)C,
,,3BDZ,,,,,,,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MLI:A:500,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:500,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4LHT,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:B:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,CNL:B:502,valid,Kd,=,161,uM,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:A:502,valid,Kd,=,161,uM,CC1(C2CCC(O1)(CC2)C)C,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,1T2B,,,,,,,
,,,CNL:A:500,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:B:500,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4FYZ,,,,,,,
,,,CNL:A:502,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,CNL:B:502,valid,,,,,CC1(C2CCC(O1)(CC2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:503,invalid,,,,,[N]=O,
,,,NO:B:503,invalid,,,,,[N]=O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:504,invalid,,,,,C(COCCOCCOCCO)O,
3.1.3.71,,,,,,,,,
,Family. Representative Entry is ,1VR0,,,,,,,
,,,3SL:A:300,valid,,,,,C([C@@H](C(=O)O)O)S(=O)(=O)O,
,,,3SL:B:300,valid,,,,,C([C@@H](C(=O)O)O)S(=O)(=O)O,
,,,3SL:C:300,valid,,,,,C([C@@H](C(=O)O)O)S(=O)(=O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
1.4.3.19,,,,,,,,,
,Family. Representative Entry is ,1RYI,,,,,,,
,,,FAD:A:9100,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:9200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:9300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:9400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOA:A:9110,valid,,,,,C(C(=O)O)O,
,,,GOA:B:9210,valid,,,,,C(C(=O)O)O,
,,,GOA:C:9310,valid,,,,,C(C(=O)O)O,
,,,GOA:D:9410,valid,,,,,C(C(=O)O)O,
,,1NG4,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PEO:A:401,invalid,,,,,OO,
,,,PEO:B:501,invalid,,,,,OO,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
6.4.1.2,,,,,,,,,
,Family. Representative Entry is ,3JRX,,,,,,,
,,,S1A:A:1000,valid,Kd,~,1,nM,C[C@H]1C=C[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC,
,Family. Representative Entry is ,4WZ8,,,,,,,
,,,3W7:B:2301,valid,,,,,CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O,
,,,3W7:C:2301,valid,,,,,CC(C)n1c2c(cn1)CC3(CCN(CC3)C(=O)c4ccc5c(c4)c[nH]n5)CC2=O,
,,3K8X,,,,,,,
,,,B89:A:1,valid,,,,,CC/C(=NOC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O,
,,,B89:B:2,valid,,,,,CC/C(=NOC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O,
,,,B89:C:3,valid,,,,,CC/C(=NOC/C=C/Cl)/C1=C(C[C@@H](CC1=O)C2CCOCC2)O,
,,3H0Q,,,,,,,
,,,B37:A:1,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,,B37:B:1,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,,B37:C:1,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,1UYR,,,,,,,
,,,D1L:A:3219,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl,
,,,D1L:B:3219,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2Cl)Cl,
,,5CTB,,,,,,,
,,,SO4:C:2303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,57J:B:2301,valid,,,,,Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C,
,,,57J:C:2301,valid,,,,,Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C,
,,,57J:A:2301,valid,,,,,Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CC(=O)c5cc(c(cc5O4)C)C,
,,5CTE,,,,,,,
,,,57L:C:2301,valid,,,,,Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C,
,,,57L:B:2301,valid,,,,,Cc1cc(cc2c1[nH]nc2)C(=O)N3CCC4(CC3)CCN([C@H]4C)C(=O)OCC(C)(C)C,
,,,SO4:C:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TVU,,,,,,,
,,,B37:A:2242,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,,B37:B:2242,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,,B37:C:2242,valid,,,,,Cc1ccc2cc(ccc2n1)CC3CCN(CC3)C(=O)c4cc(nc5c4cccc5)c6ccccc6,
,,3H0S,,,,,,,
,,,B38:A:101,valid,,,,,Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5,
,,,B38:B:102,valid,,,,,Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5,
,,,B38:C:100,valid,,,,,Cc1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)c4cccc5c4[nH]nc5,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3TDC,,,,,,,
,,,0EU:A:3000,valid,ic50,=,5.4,nM,CCNC(=O)Nc1c(c2ccccc2s1)C(=O)N3CCC(CC3)[N@]4CCC[C@@]5(C4)CC(OC5=O)(C)C,
,Family. Representative Entry is ,1W96,,,,,,,
,,,S1A:A:1567,valid,Kd,=,3.9,nM,C[C@H]1C=C[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC,
,,,S1A:B:1567,valid,Kd,=,3.9,nM,C[C@H]1C=C[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC,
,,,S1A:C:1550,valid,Kd,=,3.9,nM,C[C@H]1C=C[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)c3ccccc3)OC)OC,
2.3.1.82,,,,,,,,,
,Family. Representative Entry is ,1N71,,,,,,,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:602,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:604,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:C:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A4N,,,,,,,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:B:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1V0C,,,,,,,
,,,ACO:A:1200,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:1202,Part of Protein,,,,,[Ca+2],
,,,CA:A:1203,Part of Protein,,,,,[Ca+2],
,,,KNC:A:1201,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N,
,,2PRB,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2VQY,,,,,,,
,,,ACO:A:1200,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:1202,Part of Protein,,,,,[Ca+2],
,,,CA:A:1203,Part of Protein,,,,,[Ca+2],
,,,PAR:A:1201,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,2QIR,,,,,,,
,,,9CS:A:501,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,COA:A:197,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2BUE,,,,,,,
,,,CA:A:1202,Part of Protein,,,,,[Ca+2],
,,,CA:A:1203,Part of Protein,,,,,[Ca+2],
,,,COA:A:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,RIO:A:1201,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,Family. Representative Entry is ,2VBQ,,,,,,,
,,,BSJ:A:1000,valid,Ki,<,41,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=CCSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O,
,,,BSJ:B:1146,valid,Ki,<,41,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=CCSCCC(=O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)N)N)O)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,NI:A:1001,Part of Protein,,,,,[Ni+2],
,,1S3Z,,,,,,,
,,,COA:A:600,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NI:A:700,Part of Protein,,,,,[Ni+2],
,,,RIO:A:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,RIO:B:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1S5K,,,,,,,
,,,COA:A:600,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.40,,,,,,,,,
,Family. Representative Entry is ,6WP5,,,,,,,
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,invalid,,,,,[K+],
,,,K:B:601,invalid,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,OXL:C:605,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:606,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:607,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,FBP:B:607,valid,Kd,=,1,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:608,valid,Kd,=,1,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:603,valid,Kd,=,1,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,6NU5,,,,,,,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,SCN:B:603,invalid,,,,,C(#N)[S-],
,,,SCN:A:603,invalid,,,,,C(#N)[S-],
,,,OXL:B:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:607,Part of Protein,,,,,[Mg+2],
,,,K:B:608,Part of Protein,,,,,[K+],
,,,K:A:606,Part of Protein,,,,,[K+],
,,,CYS:B:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,B3P:B:604,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:604,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,3BJF,,,,,,,
,,,FBP:A:532,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:532,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:532,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:532,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:C:603,Part of Protein,,,,,[K+],
,,,K:D:604,Part of Protein,,,,,[K+],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:704,Part of Protein,,,,,[Mg+2],
,,,OXL:A:901,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:902,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:903,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:904,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,6B6U,,,,,,,
,,,CL:B:604,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,PG4:B:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,SCN:B:607,invalid,,,,,C(#N)[S-],
,,,SCN:A:606,invalid,,,,,C(#N)[S-],
,,,SCN:A:607,invalid,,,,,C(#N)[S-],
,,,SCN:B:606,invalid,,,,,C(#N)[S-],
,,,SCN:A:605,invalid,,,,,C(#N)[S-],
,,,SCN:B:605,invalid,,,,,C(#N)[S-],
,,,OXL:A:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:602,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:603,Part of Protein,,,,,[K+],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,B3P:A:609,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:B:610,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,4QG8,,,,,,,
,,,K:C:1002,Part of Protein,,,,,[K+],
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,MLI:C:1003,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1003,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1004,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MG:C:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,6WP3,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,K:B:607,invalid,,,,,[K+],
,,,CL:B:608,invalid,,,,,[Cl-],
,,,NO3:A:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:606,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,OXL:A:605,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,4JPG,,,,,,,
,,,FBP:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,1OX:B:602,valid,,,,,c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3,
,,,1OX:D:602,valid,,,,,c1ccc2c(c1)ncn2CC3=CC(=O)N4C=CC=CC4=N3,
,,4G1N,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,NZT:A:603,valid,,,,,c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5,
,,,NZT:D:603,valid,,,,,c1cc2cccnc2c(c1)S(=O)(=O)Nc3ccc(cc3)C(=O)N4CCN(CC4)c5cnccn5,
,,,OXL:A:601,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:601,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:601,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:601,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,6V74,,,,,,,
,,,K:A:601,invalid,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:C:602,Part of Protein,,,,,[K+],
,,,OXL:C:614,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:605,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:607,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:602,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:609,Part of Protein,,,,,[Mg+2],
,,,MG:D:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,FBP:A:606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:608,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:615,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,GOL:C:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:C:603,invalid,,,,,[Cl-],
,,,144:D:606,invalid,,,,,C[N+](CO)(CO)CO,
,,,ASN:C:604,valid,Kd,=,27,uM,C([C@@H](C(=O)O)N)C(=O)N,
,,1A49,,,,,,,
,,,ATP:A:535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:2335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:4135,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:4735,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1735,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:3535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:532,Part of Protein,,,,,[K+],
,,,K:B:1132,Part of Protein,,,,,[K+],
,,,K:C:1732,Part of Protein,,,,,[K+],
,,,K:D:2332,Part of Protein,,,,,[K+],
,,,K:E:3532,Part of Protein,,,,,[K+],
,,,K:F:4132,Part of Protein,,,,,[K+],
,,,K:G:4732,Part of Protein,,,,,[K+],
,,,K:H:5332,Part of Protein,,,,,[K+],
,,,MG:A:534,Part of Protein,,,,,[Mg+2],
,,,MG:A:536,Part of Protein,,,,,[Mg+2],
,,,MG:B:1134,Part of Protein,,,,,[Mg+2],
,,,MG:C:1734,Part of Protein,,,,,[Mg+2],
,,,MG:D:2334,Part of Protein,,,,,[Mg+2],
,,,MG:D:2336,Part of Protein,,,,,[Mg+2],
,,,MG:E:3534,Part of Protein,,,,,[Mg+2],
,,,MG:F:4134,Part of Protein,,,,,[Mg+2],
,,,MG:F:4136,Part of Protein,,,,,[Mg+2],
,,,MG:G:4734,Part of Protein,,,,,[Mg+2],
,,,MG:G:4736,Part of Protein,,,,,[Mg+2],
,,,MG:H:5334,Part of Protein,,,,,[Mg+2],
,,,OXL:A:533,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1133,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:1733,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:2333,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:3533,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:4133,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:4733,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:H:5333,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,2G50,,,,,,,
,,,ALA:A:6101,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:6102,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:C:6103,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:D:6104,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:E:6105,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:F:6106,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:G:6107,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:H:6108,valid,,,,,C[C@@H](C(=O)O)N,
,,,EDO:A:6043,invalid,,,,,C(CO)O,
,,,EDO:A:6050,invalid,,,,,C(CO)O,
,,,EDO:A:6051,invalid,,,,,C(CO)O,
,,,EDO:B:6013,invalid,,,,,C(CO)O,
,,,EDO:B:6032,invalid,,,,,C(CO)O,
,,,EDO:B:6047,invalid,,,,,C(CO)O,
,,,EDO:B:6048,invalid,,,,,C(CO)O,
,,,EDO:C:6014,invalid,,,,,C(CO)O,
,,,EDO:C:6044,invalid,,,,,C(CO)O,
,,,EDO:D:6011,invalid,,,,,C(CO)O,
,,,EDO:D:6017,invalid,,,,,C(CO)O,
,,,EDO:D:6033,invalid,,,,,C(CO)O,
,,,EDO:D:6040,invalid,,,,,C(CO)O,
,,,EDO:E:6015,invalid,,,,,C(CO)O,
,,,EDO:E:6038,invalid,,,,,C(CO)O,
,,,EDO:E:6039,invalid,,,,,C(CO)O,
,,,EDO:E:6045,invalid,,,,,C(CO)O,
,,,EDO:E:6046,invalid,,,,,C(CO)O,
,,,EDO:E:6049,invalid,,,,,C(CO)O,
,,,EDO:F:6012,invalid,,,,,C(CO)O,
,,,EDO:F:6036,invalid,,,,,C(CO)O,
,,,EDO:G:6016,invalid,,,,,C(CO)O,
,,,EDO:G:6052,invalid,,,,,C(CO)O,
,,,EDO:H:6034,invalid,,,,,C(CO)O,
,,,EDO:H:6037,invalid,,,,,C(CO)O,
,,,EDO:H:6041,invalid,,,,,C(CO)O,
,,,EDO:H:6042,invalid,,,,,C(CO)O,
,,,EDO:H:6053,invalid,,,,,C(CO)O,
,,,EDO:H:6054,invalid,,,,,C(CO)O,
,,,ETE:B:6018,invalid,,,,,COCCOCCOCCOCCO,
,,,GOL:A:6002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6055,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6056,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6031,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6205,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6305,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6001,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6005,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6010,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6057,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6206,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6306,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:6004,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:6207,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:6307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6006,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6008,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6208,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6308,invalid,,,,,C(C(CO)O)O,
,,,K:A:6501,Part of Protein,,,,,[K+],
,,,K:B:6502,Part of Protein,,,,,[K+],
,,,K:C:6503,Part of Protein,,,,,[K+],
,,,K:D:6504,Part of Protein,,,,,[K+],
,,,K:E:6505,Part of Protein,,,,,[K+],
,,,K:F:6506,Part of Protein,,,,,[K+],
,,,K:G:6507,Part of Protein,,,,,[K+],
,,,K:H:6508,Part of Protein,,,,,[K+],
,,,MN:A:640,Part of Protein,,,,,[Mn+2],
,,,MN:B:640,Part of Protein,,,,,[Mn+2],
,,,MN:C:640,Part of Protein,,,,,[Mn+2],
,,,MN:D:640,Part of Protein,,,,,[Mn+2],
,,,MN:E:640,Part of Protein,,,,,[Mn+2],
,,,MN:F:640,Part of Protein,,,,,[Mn+2],
,,,MN:G:640,Part of Protein,,,,,[Mn+2],
,,,MN:H:640,Part of Protein,,,,,[Mn+2],
,,,NA:A:6019,Part of Protein,,,,,[Na+],
,,,NA:A:6023,Part of Protein,,,,,[Na+],
,,,NA:B:6024,Part of Protein,,,,,[Na+],
,,,NA:C:6025,Part of Protein,,,,,[Na+],
,,,NA:D:6020,Part of Protein,,,,,[Na+],
,,,NA:D:6026,Part of Protein,,,,,[Na+],
,,,NA:E:6021,Part of Protein,,,,,[Na+],
,,,NA:E:6030,Part of Protein,,,,,[Na+],
,,,NA:F:6027,Part of Protein,,,,,[Na+],
,,,NA:G:6028,Part of Protein,,,,,[Na+],
,,,NA:H:6022,Part of Protein,,,,,[Na+],
,,,NA:H:6029,Part of Protein,,,,,[Na+],
,,,PYR:A:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:G:600,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:600,valid,,,,,CC(=O)C(=O)O,
,,6GG4,,,,,,,
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:C:603,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,K:B:605,Part of Protein,,,,,[K+],
,,,PHE:B:603,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:602,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:602,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:603,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,6WP6,,,,,,,
,,,OXL:C:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,NO3:C:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,5X1V,,,,,,,
,,,7XX:D:602,valid,,,,,Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl,
,,,7XX:C:602,valid,,,,,Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl,
,,,7XX:B:602,valid,,,,,Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl,
,,,7XX:A:602,valid,,,,,Cn1cc(cc1C(=O)N)C(=O)c2cccc(c2Cl)Cl,
,,,FBP:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,6WP4,,,,,,,
,,,GOL:D:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,K:B:605,Part of Protein,,,,,[K+],
,,,K:C:604,Part of Protein,,,,,[K+],
,,,K:D:605,Part of Protein,,,,,[K+],
,,,K:D:606,invalid,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,CL:C:611,invalid,,,,,[Cl-],
,,,CL:C:610,invalid,,,,,[Cl-],
,,,OXL:D:607,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:606,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,6NU1,,,,,,,
,,,FBP:D:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,CYS:D:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:C:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,K:D:605,Part of Protein,,,,,[K+],
,,,K:B:605,Part of Protein,,,,,[K+],
,,,OXL:D:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,3N25,,,,,,,
,,,EDO:A:6043,invalid,,,,,C(CO)O,
,,,EDO:A:6050,invalid,,,,,C(CO)O,
,,,EDO:A:6051,invalid,,,,,C(CO)O,
,,,EDO:B:6013,invalid,,,,,C(CO)O,
,,,EDO:B:6048,invalid,,,,,C(CO)O,
,,,EDO:C:6014,invalid,,,,,C(CO)O,
,,,EDO:D:6011,invalid,,,,,C(CO)O,
,,,EDO:D:6017,invalid,,,,,C(CO)O,
,,,EDO:D:6033,invalid,,,,,C(CO)O,
,,,EDO:E:6015,invalid,,,,,C(CO)O,
,,,EDO:E:6039,invalid,,,,,C(CO)O,
,,,EDO:E:6046,invalid,,,,,C(CO)O,
,,,EDO:E:6049,invalid,,,,,C(CO)O,
,,,EDO:F:6012,invalid,,,,,C(CO)O,
,,,EDO:H:6037,invalid,,,,,C(CO)O,
,,,GOL:A:6002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6055,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6056,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6205,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:6305,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6010,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6206,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:6306,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:6207,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:6307,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6308,invalid,,,,,C(C(CO)O)O,
,,,K:A:1100,Part of Protein,,,,,[K+],
,,,K:B:1700,Part of Protein,,,,,[K+],
,,,K:C:1700,Part of Protein,,,,,[K+],
,,,K:D:1700,Part of Protein,,,,,[K+],
,,,K:E:1700,Part of Protein,,,,,[K+],
,,,K:F:1700,Part of Protein,,,,,[K+],
,,,K:G:1700,Part of Protein,,,,,[K+],
,,,K:H:1700,Part of Protein,,,,,[K+],
,,,MN:A:640,Part of Protein,,,,,[Mn+2],
,,,MN:B:640,Part of Protein,,,,,[Mn+2],
,,,MN:C:640,Part of Protein,,,,,[Mn+2],
,,,MN:D:640,Part of Protein,,,,,[Mn+2],
,,,MN:E:640,Part of Protein,,,,,[Mn+2],
,,,MN:F:640,Part of Protein,,,,,[Mn+2],
,,,MN:G:640,Part of Protein,,,,,[Mn+2],
,,,MN:H:640,Part of Protein,,,,,[Mn+2],
,,,NA:A:1300,Part of Protein,,,,,[Na+],
,,,NA:A:2100,Part of Protein,,,,,[Na+],
,,,NA:B:2000,Part of Protein,,,,,[Na+],
,,,NA:C:2000,Part of Protein,,,,,[Na+],
,,,NA:D:2000,Part of Protein,,,,,[Na+],
,,,NA:D:2100,Part of Protein,,,,,[Na+],
,,,NA:E:2000,Part of Protein,,,,,[Na+],
,,,NA:E:2100,Part of Protein,,,,,[Na+],
,,,NA:F:2000,Part of Protein,,,,,[Na+],
,,,NA:G:2000,Part of Protein,,,,,[Na+],
,,,NA:H:2000,Part of Protein,,,,,[Na+],
,,,NA:H:2100,Part of Protein,,,,,[Na+],
,,,PRO:A:1200,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:F:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:G:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:H:1600,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PYR:A:1000,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:G:1500,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:1500,valid,,,,,CC(=O)C(=O)O,
,,1A5U,,,,,,,
,,,ATP:D:2335,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:4135,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:4735,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1735,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:3535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:534,Part of Protein,,,,,[Mg+2],
,,,MG:B:1134,Part of Protein,,,,,[Mg+2],
,,,MG:C:1734,Part of Protein,,,,,[Mg+2],
,,,MG:D:2334,Part of Protein,,,,,[Mg+2],
,,,MG:D:2336,Part of Protein,,,,,[Mg+2],
,,,MG:E:3534,Part of Protein,,,,,[Mg+2],
,,,MG:F:4134,Part of Protein,,,,,[Mg+2],
,,,MG:F:4136,Part of Protein,,,,,[Mg+2],
,,,MG:G:4734,Part of Protein,,,,,[Mg+2],
,,,MG:G:4736,Part of Protein,,,,,[Mg+2],
,,,MG:H:5334,Part of Protein,,,,,[Mg+2],
,,,MG:A:536,Part of Protein,,,,,[Mg+2],
,,,MG:C:1736,Part of Protein,,,,,[Mg+2],
,,,MG:E:3636,Part of Protein,,,,,[Mg+2],
,,,NA:A:532,Part of Protein,,,,,[Na+],
,,,NA:B:1132,Part of Protein,,,,,[Na+],
,,,NA:C:1732,Part of Protein,,,,,[Na+],
,,,NA:D:2332,Part of Protein,,,,,[Na+],
,,,NA:E:3532,Part of Protein,,,,,[Na+],
,,,NA:F:4132,Part of Protein,,,,,[Na+],
,,,NA:G:4732,Part of Protein,,,,,[Na+],
,,,NA:H:5332,Part of Protein,,,,,[Na+],
,,,OXL:A:533,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1133,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:1733,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:2333,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:3533,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:4133,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:4733,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:H:5333,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,6NUB,,,,,,,
,,,B3P:B:610,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:608,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,SCN:A:605,invalid,,,,,C(#N)[S-],
,,,SCN:A:606,invalid,,,,,C(#N)[S-],
,,,SCN:B:605,invalid,,,,,C(#N)[S-],
,,,SCN:B:607,invalid,,,,,C(#N)[S-],
,,,SCN:B:606,invalid,,,,,C(#N)[S-],
,,,PG4:B:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,SER:B:601,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:A:601,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,OXL:B:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,K:B:604,Part of Protein,,,,,[K+],
,,,K:A:604,Part of Protein,,,,,[K+],
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6QXL,,,,,,,
,,,MLI:A:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:J:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:504,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:504,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:L:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:503,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:504,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:L:502,Part of Protein,,,,,[Mg+2],
,,,MG:K:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:H:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:I:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:J:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,G6P:E:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:I:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:G:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:J:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:K:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:H:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:F:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:L:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5WS9,,,,,,,
,,,ATP:D:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,OXL:C:503,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:503,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:502,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:502,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:D:505,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,AMP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5WSC,,,,,,,
,,,PO4:D:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,G6P:B:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,OXL:B:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:B:505,Part of Protein,,,,,[K+],
,,5WSB,,,,,,,
,,,PO4:D:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,G6P:B:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,OXL:B:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:504,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:B:505,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,3QV9,,,,,,,
,,,K:A:500,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QV7:B:501,valid,,,,,c1cc(ccc1/N=N/c2ccc(c(c2)S(=O)(=O)O)/N=N/c3c4ccc(cc4cc(c3O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,4IP7,,,,,,,
,,,EDO:D:606,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:C:601,invalid,,,,,C(CO)O,
,,,EDO:D:605,invalid,,,,,C(CO)O,
,,,EDO:D:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,FBP:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FLC:A:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:603,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NA:C:608,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:B:607,Part of Protein,,,,,[Na+],
,,,NA:D:608,Part of Protein,,,,,[Na+],
,,,1PE:C:606,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,,ADN:D:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,6ECH,,,,,,,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:B:617,invalid,,,,,C(CO)O,
,,,EDO:D:609,invalid,,,,,C(CO)O,
,,,EDO:D:612,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:D:610,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:D:608,invalid,,,,,C(CO)O,
,,,EDO:D:607,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:D:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:D:613,invalid,,,,,C(CO)O,
,,,EDO:D:614,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,CL:D:616,invalid,,,,,[Cl-],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,invalid,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ATP:B:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FBP:D:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PEG:D:615,invalid,,,,,C(COCCO)O,
,,,PEG:A:615,invalid,,,,,C(COCCO)O,
,,,PG4:A:616,invalid,,,,,C(COCCOCCOCCO)O,
,,,OXL:C:604,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:607,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:607,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:606,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,PGE:B:608,invalid,,,,,C(COCCOCCO)O,
,,6ECK,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,FLC:B:603,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,PGE:B:605,invalid,,,,,C(COCCOCCO)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,FBP:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,4IMA,,,,,,,
,,,FBP:C:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,,FLC:A:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ADN:D:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,6NN4,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,PEP:A:604,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:603,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:603,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:605,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,FBP:C:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4B2D,,,,,,,
,,,FBP:A:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:C:700,Part of Protein,,,,,[Mg+2],
,,,SER:A:1532,valid,Kd,=,200,uM,C([C@@H](C(=O)O)N)O,
,,,SER:B:1532,valid,Kd,=,200,uM,C([C@@H](C(=O)O)N)O,
,,,SER:C:1532,valid,Kd,=,200,uM,C([C@@H](C(=O)O)N)O,
,,,SER:D:1532,valid,Kd,=,200,uM,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,3HQP,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:I:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:J:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:K:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:L:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:M:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:N:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:P:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FDP:A:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:C:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:D:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:E:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:F:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:G:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:H:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:I:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:J:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:K:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:L:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:M:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:N:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:O:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:P:700,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:E:499,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:499,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:499,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:499,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:499,invalid,,,,,C(C(CO)O)O,
,,,K:A:499,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:499,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:C:499,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:D:499,Part of Protein,,,,,[K+],
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:E:501,Part of Protein,,,,,[K+],
,,,K:E:504,Part of Protein,,,,,[K+],
,,,K:F:499,Part of Protein,,,,,[K+],
,,,K:F:504,Part of Protein,,,,,[K+],
,,,K:G:501,Part of Protein,,,,,[K+],
,,,K:G:504,Part of Protein,,,,,[K+],
,,,K:H:499,Part of Protein,,,,,[K+],
,,,K:H:504,Part of Protein,,,,,[K+],
,,,K:I:503,Part of Protein,,,,,[K+],
,,,K:I:504,Part of Protein,,,,,[K+],
,,,K:J:501,Part of Protein,,,,,[K+],
,,,K:J:504,Part of Protein,,,,,[K+],
,,,K:K:499,Part of Protein,,,,,[K+],
,,,K:K:504,Part of Protein,,,,,[K+],
,,,K:L:499,Part of Protein,,,,,[K+],
,,,K:L:504,Part of Protein,,,,,[K+],
,,,K:M:499,Part of Protein,,,,,[K+],
,,,K:M:504,Part of Protein,,,,,[K+],
,,,K:N:499,Part of Protein,,,,,[K+],
,,,K:N:504,Part of Protein,,,,,[K+],
,,,K:O:500,Part of Protein,,,,,[K+],
,,,K:O:501,Part of Protein,,,,,[K+],
,,,K:P:499,Part of Protein,,,,,[K+],
,,,K:P:504,Part of Protein,,,,,[K+],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:500,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:500,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:500,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:500,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:500,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MG:H:500,Part of Protein,,,,,[Mg+2],
,,,MG:H:502,Part of Protein,,,,,[Mg+2],
,,,MG:I:500,Part of Protein,,,,,[Mg+2],
,,,MG:I:502,Part of Protein,,,,,[Mg+2],
,,,MG:J:500,Part of Protein,,,,,[Mg+2],
,,,MG:J:502,Part of Protein,,,,,[Mg+2],
,,,MG:K:500,Part of Protein,,,,,[Mg+2],
,,,MG:K:502,Part of Protein,,,,,[Mg+2],
,,,MG:L:500,Part of Protein,,,,,[Mg+2],
,,,MG:L:502,Part of Protein,,,,,[Mg+2],
,,,MG:M:500,Part of Protein,,,,,[Mg+2],
,,,MG:M:502,Part of Protein,,,,,[Mg+2],
,,,MG:N:500,Part of Protein,,,,,[Mg+2],
,,,MG:N:502,Part of Protein,,,,,[Mg+2],
,,,MG:P:500,Part of Protein,,,,,[Mg+2],
,,,MG:P:502,Part of Protein,,,,,[Mg+2],
,,,OXL:A:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:H:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:I:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:J:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:K:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:L:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:M:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:N:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:P:510,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,3QV8,,,,,,,
,,,PO4:A:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S62:A:499,valid,,,,,c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O,
,,,S62:D:499,valid,,,,,c1cc2c(cc1S(=O)(=O)O)nc(s2)S(=O)(=O)O,
,,3PP7,,,,,,,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:500,Part of Protein,,,,,[K+],
,,,K:B:501,Part of Protein,,,,,[K+],
,,,PTK:A:499,invalid,,,,,c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:B:499,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,4KCT,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,PYR:B:1003,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:1003,valid,,,,,CC(=O)C(=O)O,
,,,FDP:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,4KCV,,,,,,,
,,,AKG:B:1003,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:1003,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,FDP:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,4HYW,,,,,,,
,,,FDP:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CL:B:504,invalid,,,,,[Cl-],
,,4KCU,,,,,,,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,MLT:A:1003,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:503,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,FDP:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,4HYV,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,PEP:A:1003,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1003,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,CL:B:1005,invalid,,,,,[Cl-],
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,FDP:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,4KCW,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,OXL:A:1003,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1003,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,FDP:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
6.2.1.3,,,,,,,,,
,Family. Representative Entry is ,1V25,,,,,,,
,,,ANP:A:666,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1666,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,1V26,,,,,,,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MYR AMP:A:1001,valid,,,,,P(=O)(OC(=O)CCCCCCCCCCCCC)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,MYR AMP:B:2001,valid,,,,,P(=O)(OC(=O)CCCCCCCCCCCCC)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
4.1.1.83,,,,,,,,,
,Family. Representative Entry is ,2YAJ,,,,,,,
,,,4HP:A:1898,valid,,,,,c1cc(ccc1CC(=O)O)O,
,,,4HP:C:1898,valid,,,,,c1cc(ccc1CC(=O)O)O,
,,,SF4:B:87,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:88,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:87,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:88,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
2.6.1.42,,,,,,,,,
,Family. Representative Entry is ,5I60,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,67W:B:402,valid,ic50,=,0.00000001,M,c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3,
,,,67W:A:402,valid,ic50,=,0.00000001,M,c1ccc(c(c1)CC(=O)O)C(=O)Nc2ccc(cc2)c3cc[nH]n3,
,,5CR5,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EL1:B:402,valid,ic50,=,2,uM,CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C,
,,,EL1:A:402,valid,ic50,=,2,uM,CNC(=O)c1ccc(cc1O[C@@H]2CCN(C2)C(=O)c3ccc(s3)Br)c4ccccc4NS(=O)(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,1KT8,,,,,,,
,,,ACY:A:1003,invalid,,,,,CC(=O)O,
,,,ACY:A:1004,invalid,,,,,CC(=O)O,
,,,ACY:A:1005,invalid,,,,,CC(=O)O,
,,,ACY:B:1001,invalid,,,,,CC(=O)O,
,,,ACY:B:1002,invalid,,,,,CC(=O)O,
,,,ACY:B:1006,invalid,,,,,CC(=O)O,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,ILP:A:400,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,ILP:B:900,valid,,,,,CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,5BWR,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,4VT:A:402,valid,ic50,=,25,uM,c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2,
,,,4VT:B:402,valid,ic50,=,25,uM,c1ccc(cc1)CC2=CC(=O)n3c(c(cn3)C#N)N2,
,,5I5W,,,,,,,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,PLP:A:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,68B:B:401,valid,ic50,=,1,mM,c1ccc(cc1)C(=O)Nc2cncnc2,
,,,68B:A:401,valid,ic50,=,1,mM,c1ccc(cc1)C(=O)Nc2cncnc2,
,,5I5S,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,NVU:B:402,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,,NVU:A:402,valid,,,,,c1ccc2c(c1)c(no2)CC(=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,DMS:B:409,invalid,,,,,CS(=O)C,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,5BWW,,,,,,,
,,,CL:B:411,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,4W6:B:402,valid,ic50,=,0.5,uM,CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1,
,,,4W6:A:402,valid,ic50,=,0.5,uM,CCCC1=CC(=O)n2c(c(c(n2)CC(=O)N3CCCC3)C#N)N1,
,,5I5U,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,67Y:A:402,valid,,,,,c1ccc2c(c1)CCC[C@H]2NC(=O)CO,
,,,67Y:B:402,valid,,,,,c1ccc2c(c1)CCC[C@H]2NC(=O)CO,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,5I5Y,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,68D:A:402,valid,ic50,=,1,uM,Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O,
,,,68D:B:402,valid,ic50,=,1,uM,Cc1c2c(sc1C(=O)Nc3ccccc3CC(=O)O)N=CNC2=O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,5BWX,,,,,,,
,,,4W4:A:402,valid,ic50,=,16,nM,CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1,
,,,4W4:B:402,valid,ic50,=,16,nM,CCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,5I5V,,,,,,,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:A:414,invalid,,,,,CS(=O)C,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,68A:B:402,valid,ic50,=,63,uM,Cc1c2c(sc1C(=O)O)N=CN(C2=O)C,
,,,68A:A:402,valid,ic50,=,63,uM,Cc1c2c(sc1C(=O)O)N=CN(C2=O)C,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,5BWV,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,775:A:402,valid,ic50,=,79,nM,CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1,
,,,775:B:402,valid,ic50,=,79,nM,CCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3)Cl)C#N)N1,
,,5HNE,,,,,,,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,EL2:A:402,valid,ic50,=,50,nM,CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5,
,,,EL2:B:402,valid,ic50,=,50,nM,CNC(=O)c1ccc2c(c1)nc(n2[C@@H]3CCC[C@@H](C3)NC(=O)c4ccc(s4)Br)c5ccccn5,
,,5BWU,,,,,,,
,,,4VR:B:402,valid,ic50,=,0.63,uM,CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1,
,,,4VR:A:402,valid,ic50,=,0.63,uM,CCCC1=CC(=O)n2c(nc(n2)NCc3ccc(cc3)Br)N1,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2HDK,,,,,,,
,,,ACY:A:1001,invalid,,,,,CC(=O)O,
,,,COI:B:900,valid,Kd,=,6.1,mM,CC(C)CC(=O)C(=O)O,
,,,PLP:A:400,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2A1H,,,,,,,
,,,ACY:B:1001,invalid,,,,,CC(=O)O,
,,,GBN:A:502,valid,Ki,=,65.4,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,GBN:B:501,valid,Ki,=,65.4,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,PLP:A:400,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:400,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5I5T,,,,,,,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,67X:B:402,valid,,,,,C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N,
,,,67X:A:402,valid,,,,,C[C@@H]1Cc2cccc(c2NC1)S(=O)(=O)N,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,5I5X,,,,,,,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,68C:B:402,valid,ic50,=,0.2,uM,Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O,
,,,68C:A:402,valid,ic50,=,0.2,uM,Cc1c2c(sc1C(=O)Nc3nncs3)N=CNC2=O,
,,,PMP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,2HG8,,,,,,,
,,,ACY:A:1001,invalid,,,,,CC(=O)O,
,,,MLE:A:1414,valid,,,,,CC(C)C[C@@H](C(=O)O)NC,
,,,MLE:A:2414,valid,,,,,CC(C)C[C@@H](C(=O)O)NC,
,,,PLP:A:400,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1KTA,,,,,,,
,,,ACY:A:1003,invalid,,,,,CC(=O)O,
,,,ACY:A:1006,invalid,,,,,CC(=O)O,
,,,ACY:A:1007,invalid,,,,,CC(=O)O,
,,,ACY:B:1001,invalid,,,,,CC(=O)O,
,,,ACY:B:1002,invalid,,,,,CC(=O)O,
,,,ACY:B:1004,invalid,,,,,CC(=O)O,
,,,ACY:B:1005,invalid,,,,,CC(=O)O,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,KIV:B:3001,valid,,,,,CC(C)C(=O)C(=O)O,
,,,PMP:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:900,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,5BWT,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,4VS:A:402,valid,,,,,CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1,
,,,4VS:B:402,valid,,,,,CCC1=CC(=O)n2c(c(c(n2)C)C#N)N1,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2ABJ,,,,,,,
,,,CBC:A:1401,valid,ic50,=,0.8,uM,c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl,
,,,CBC:D:2401,valid,ic50,=,0.8,uM,c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl,
,,,CBC:G:3401,valid,ic50,=,0.8,uM,c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl,
,,,CBC:J:4401,valid,ic50,=,0.8,uM,c1ccc(c(c1)C(F)(F)F)S(=O)(=O)NNC(=O)c2cc3cc(ccc3o2)Cl,
,,,PLP:A:420,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:420,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:G:420,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:J:420,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2COI,,,,,,,
,,,GBN:A:420,valid,Ki,=,3.5,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,GBN:B:420,valid,Ki,=,3.5,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,MG:B:1430,Part of Protein,,,,,[Mg+2],
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2COJ,,,,,,,
,,,GBN:A:420,valid,Ki,=,1.3,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,GBN:B:420,valid,Ki,=,1.3,mM,C1CCC(CC1)(CC(=O)O)CN,
,,,MG:B:430,Part of Protein,,,,,[Mg+2],
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2COG,,,,,,,
,,,4MV:A:420,valid,,,,,CC(C)CCC(=O)O,
,,,4MV:B:420,valid,,,,,CC(C)CCC(=O)O,
,,,MG:B:430,Part of Protein,,,,,[Mg+2],
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3UZO,,,,,,,
,,,GLU:A:600,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:500,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PLP:A:371,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:372,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3UYY,,,,,,,
,,,PLP:A:371,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:372,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1IYE,,,,,,,
,,,PGU:A:513,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:B:913,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:C:1413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,1I1L,,,,,,,
,,,PLP 2ML:A:413,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])(CC(C)C)C)c(O)c(C)nc1)([O-])[O-],
,,,PLP 2ML:B:913,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])(CC(C)C)C)c(O)c(C)nc1)([O-])[O-],
,,,PLP 2ML:C:1413,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])(CC(C)C)C)c(O)c(C)nc1)([O-])[O-],
,,1IYD,,,,,,,
,,,GUA:A:414,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:B:914,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:C:1414,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:913,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1I1M,,,,,,,
,,,4MV:A:414,valid,,,,,CC(C)CCC(=O)O,
,,,4MV:B:914,valid,,,,,CC(C)CCC(=O)O,
,,,4MV:C:1414,valid,,,,,CC(C)CCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:913,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,5U3F,,,,,,,
,,,7TS:B:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O,
,,,7TS:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=CONC2=O)O,
,,3HT5,,,,,,,
,,,PMP:A:6236,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,4CE5,,,,,,,
,,,CA:B:1327,Part of Protein,,,,,[Ca+2],
,,,CL:B:1326,invalid,,,,,[Cl-],
,,,CL:A:1328,invalid,,,,,[Cl-],
,,,CL:A:1329,invalid,,,,,[Cl-],
,,,CL:B:1330,invalid,,,,,[Cl-],
,,,CL:A:1330,invalid,,,,,[Cl-],
,,,CL:B:1328,invalid,,,,,[Cl-],
,,,CL:A:1327,invalid,,,,,[Cl-],
,,,CL:B:1331,invalid,,,,,[Cl-],
,,,CL:B:1329,invalid,,,,,[Cl-],
,,,CL:A:1326,invalid,,,,,[Cl-],
,,,PDG:B:1181,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:A:1181,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PLP:A:1180,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1180,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4CMF,,,,,,,
,,,PXG:A:1323,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,TRS:A:1324,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4UUG,,,,,,,
,,,PXG:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,MPD:B:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:402,invalid,,,,,C[C@H](CC(C)(C)O)O,
3.4.14.5,,,,,,,,,
,Family. Representative Entry is ,1RWQ,,,,,,,
,,,5AP:A:900,valid,ic50,=,0.0001,uM,COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl,
,,,5AP:B:1900,valid,ic50,=,0.0001,uM,COc1cc(cc(c1)OC)c2nc(c(c(n2)N)CN)c3ccc(cc3Cl)Cl,
,,,NAG:A:793,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:794,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:795,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:796,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:793,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:794,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:796,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:797,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3SWW,,,,,,,
,,,KXB:A:1,valid,Ki,=,4,nM,Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN,
,,,KXB:B:2,valid,Ki,=,4,nM,Cc1c(c(c2c(n1)C(=O)N(C2)CCOC)c3ccc(cc3Cl)Cl)CN,
,,,NAG:A:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:921,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1X70,,,,,,,
,,,715:A:801,valid,ic50,=,18,nM,c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N,
,,,715:B:801,valid,ic50,=,18,nM,c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N,
,,,NA:A:1200,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,1WCY,,,,,,,
,,,ILE PRO ILE:C:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(CC)C)CCC1)C(CC)C,
,,,ILE PRO ILE:D:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(CC)C)CCC1)C(CC)C,
,,,NAG:A:1201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:I:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3NOX,,,,,,,
,,,6A5:A:1,valid,Ki,=,2.2,nM,Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN,
,,,6A5:B:2,valid,Ki,=,2.2,nM,Cc1c(c(n2cc(nc2n1)C(=O)N3CCOCC3)c4ccc(cc4Cl)Cl)CN,
,,,GOL:B:1,Part of Protein,,,,,C(C(CO)O)O,
,,,NAG:A:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:921,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2QOE,,,,,,,
,,,448:A:1282,valid,ic50,=,25,nM,C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F,
,,,448:B:2,valid,ic50,=,25,nM,C[C@@H]1c2nc(nn2CCN1C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(F)(F)F,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:E:1,Part of Protein,,,,,,
,,,NAG NDG:S:1,Part of Protein,,,,,,
,,3C45,,,,,,,
,,,317:A:1521,valid,ic50,=,0.00021,uM,CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N,
,,,317:B:2,valid,ic50,=,0.00021,uM,CS(=O)(=O)c1ccc(c(c1)Cl)c2nc(on2)[C@@H](CC3CC3)[C@@H](C(=C4CCCC4)F)N,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:C:1,invalid,,,,,,
,,,NAG NDG:F:1,invalid,,,,,,
,,3F8S,,,,,,,
,,,NAG:A:796,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:799,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:800,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PF2:A:900,valid,ic50,=,12.9,nM,c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F,
,,,PF2:B:900,valid,ic50,=,12.9,nM,c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCC(C4)(F)F,
,,2IIV,,,,,,,
,,,565:A:9001,valid,ic50,=,6.6,nM,C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N,
,,,565:B:9002,valid,ic50,=,6.6,nM,C[C@@H]1C(=O)NCCCN1C(=O)C[C@@H](Cc2cc(c(cc2F)F)F)N,
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3VJK,,,,,,,
,,,M51:A:1000,valid,ic50,=,0.37,nM,Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,,M51:B:1000,valid,ic50,=,0.37,nM,Cc1cc(n(n1)c2ccccc2)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,,NAG:A:1085,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1085,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2HHA,,,,,,,
,,,3TP:A:1000,valid,ic50,=,0.122,uM,C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N,
,,,3TP:B:2000,valid,ic50,=,0.122,uM,C[C@H](c1nc(no1)c2ccc(cc2)S(=O)(=O)C)[C@@H](C(=O)N3CCCC3)N,
,,,NA:A:3000,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,2P8S,,,,,,,
,,,417:A:1001,valid,ic50,=,21,nM,c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3,
,,,417:B:1002,valid,ic50,=,21,nM,c1c(c(cc(c1F)F)F)[C@H]2CC[C@@H](C[C@@H]2N)[N@@]3CCn4c(nnc4C(F)(F)F)C3,
,,,NA:A:9001,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3G0B,,,,,,,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:812,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:807,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:805,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:806,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:807,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:806,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:807,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,T22:A:800,valid,ic50,=,0.007,uM,CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N,
,,,T22:B:800,valid,ic50,=,0.007,uM,CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N,
,,,T22:C:800,valid,ic50,=,0.007,uM,CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N,
,,,T22:D:800,valid,ic50,=,0.007,uM,CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N,
,,2FJP,,,,,,,
,,,NAG:A:1092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,S14:A:1001,valid,ic50,=,4.3,nM,CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,,S14:B:1002,valid,ic50,=,4.3,nM,CN(C)C(=O)[C@@H](c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,2OPH,,,,,,,
,,,277:A:1001,valid,ic50,=,0.016,uM,C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N,
,,,277:B:1002,valid,ic50,=,0.016,uM,C[C@@H](C1CCC(CC1)N(C)C(=O)C)[C@@H](C(=O)N2CC[C@@H](C2)F)N,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,invalid,,,,,,
,,,NAG NDG:C:1,invalid,,,,,,
,,3VJL,,,,,,,
,,,NAG:A:1085,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1229,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1085,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,W94:A:1000,valid,ic50,=,5.6,nM,c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,,W94:B:1000,valid,ic50,=,5.6,nM,c1ccc(cc1)n2c(cc(n2)C(F)(F)F)C3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,2QJR,,,,,,,
,,,NAG:A:799,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:796,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG LGU MAN LGU:D:1,invalid,,,,,,
,,,PZF:A:900,valid,ic50,=,6.4,nM,COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F,
,,,PZF:B:900,valid,ic50,=,6.4,nM,COc1ccc(cn1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F,
,,3G0G,,,,,,,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,RUM:A:800,valid,ic50,=,0.005,uM,c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N,
,,,RUM:B:800,valid,ic50,=,0.005,uM,c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N,
,,,RUM:C:800,valid,ic50,=,0.005,uM,c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N,
,,,RUM:D:800,valid,ic50,=,0.005,uM,c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[C@H](C3)N)Br)C#N,
,,3CCB,,,,,,,
,,,B2Y:A:800,valid,ic50,=,30,uM,c1ccc(cc1)c2ccccc2CN,
,,,B2Y:B:800,valid,ic50,=,30,uM,c1ccc(cc1)c2ccccc2CN,
,,,B2Y:C:800,valid,ic50,=,30,uM,c1ccc(cc1)c2ccccc2CN,
,,,B2Y:D:800,valid,ic50,=,30,uM,c1ccc(cc1)c2ccccc2CN,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:806,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:804,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3VJM,,,,,,,
,,,NAG:A:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1229,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,W61:A:1000,valid,ic50,=,0.37,nM,c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,,W61:B:1000,valid,ic50,=,0.37,nM,c1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN(CC3)[C@H]4C[C@H](NC4)C(=O)N5CCSC5,
,,5T4E,,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,75L:B:811,valid,ic50,=,4376,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C,
,,,75L:A:810,valid,ic50,=,4376,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)C,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:811,Part of Protein,,,,,[Na+],
,,4N8E,,,,,,,
,,,2KV:A:815,valid,ic50,=,0.02,uM,c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN,
,,,2KV:B:810,valid,ic50,=,0.02,uM,c1cc(cc(c1)Cl)C2(CCC(CC2)N3CCCCC3=O)CN,
,,,NAG:B:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,3KWF,,,,,,,
,,,B1Q:A:1,valid,ic50,=,6.8,nM,COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N,
,,,B1Q:B:1,valid,ic50,=,6.8,nM,COc1cc2c(cc1OC)[C@@H]3C[C@@H]([C@H](C[N@]3CC2)N4C[C@H](CC4=O)CF)N,
,,,NAG:A:794,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:796,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:794,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:796,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4LKO,,,,,,,
,,,1WH:B:801,valid,Ki,=,8.3,nM,Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN,
,,,1WH:A:801,valid,Ki,=,8.3,nM,Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)CN,
,,5KBY,,,,,,,
,,,NAG:C:1504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,6RL:B:808,valid,Ki,=,1.5,nM,CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N,
,,,6RL:C:1506,valid,Ki,=,1.5,nM,CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N,
,,,6RL:A:1510,valid,Ki,=,1.5,nM,CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N,
,,,6RL:D:1507,valid,Ki,=,1.5,nM,CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N,
,,3G0D,,,,,,,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:806,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:805,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:806,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:804,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,XIH:A:800,valid,ic50,~,5,nM,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C,
,,,XIH:B:800,valid,ic50,~,5,nM,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C,
,,,XIH:C:800,valid,ic50,~,5,nM,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C,
,,,XIH:D:800,valid,ic50,~,5,nM,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C,
,,2IIT,,,,,,,
,,,872:A:9001,valid,ic50,=,2.6,nM,c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N,
,,,872:B:9002,valid,ic50,=,2.6,nM,c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCCNC(=O)C2CC(F)(F)F)N,
,,,NA:A:9111,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,3HAB,,,,,,,
,,,677:A:767,valid,ic50,=,0.0042,uM,CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N,
,,,677:B:2,valid,ic50,=,0.0042,uM,CS(=O)(=O)c1ccc2c(c1)nc3n2C[C@@H]([C@H](C3)c4cc(c(cc4F)F)F)N,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,4N8D,,,,,,,
,,,NAG:B:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,2KS:A:815,valid,ic50,=,11.9,uM,c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3,
,,,2KS:B:810,valid,ic50,=,11.9,uM,c1ccc(cc1)/C=C/COC2CCC(CC2)(CN)c3ccccc3,
,,3D4L,,,,,,,
,,,605:A:1521,valid,ic50,=,32,nM,c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N,
,,,605:B:1521,valid,ic50,=,32,nM,c1cc(cc(c1)C(=O)N)c2ccc(cc2)[C@@H](Cc3cc(ccc3F)F)N,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,4JH0,,,,,,,
,,,1MD:A:801,valid,Ki,=,0.94,nM,Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN,
,,,1MD:B:801,valid,Ki,=,0.94,nM,Cc1c(c(c2c(n1)CN(C2=O)CC(=O)N(C)C)c3ccc(cc3Cl)Cl)CN,
,,2QTB,,,,,,,
,,,474:A:1521,valid,ic50,=,4.8,nM,CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N,
,,,474:B:2322,valid,ic50,=,4.8,nM,CN(C)C(=O)[C@@H](C1CCC(CC1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CCC(C4)(F)F)N,
,,,NA:A:1522,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Q:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:S:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:T:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:O:1,Part of Protein,,,,,,
,,,NAG NDG:L:1,Part of Protein,,,,,,
,,2OGZ,,,,,,,
,,,U1N:A:767,valid,ic50,=,84,nM,C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F,
,,,U1N:B:767,valid,ic50,=,84,nM,C[C@H](CCc1ccc(cc1)C(=O)N)NCC(=O)c2ccc(cc2)F,
,,1R9N,,,,,,,
,,,NAG:A:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3211,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:6851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3211,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:851,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:3211,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:5201,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2191,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,TYR PRO SER LYS PRO ASP ASN PRO GLY GLU:E:1001,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CO,
,,,TYR PRO SER LYS PRO ASP ASN PRO GLY GLU:F:1001,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CO,
,,,TYR PRO SER LYS PRO ASP ASN PRO GLY GLU:G:1001,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CO,
,,,TYR PRO SER LYS PRO ASP ASN PRO GLY GLU:H:1001,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CO,
,,4A5S,,,,,,,
,,,N7F:A:901,valid,ic50,=,17,nM,c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6,
,,,N7F:B:901,valid,ic50,=,17,nM,c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6,
,,,NAG:A:1150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1219,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1229,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2219,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2229,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,SO4:A:1767,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1773,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1774,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1775,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PNZ,,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,2VH:A:802,valid,,,,,CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N,
,,,2VH:B:801,valid,,,,,CS(=O)(=O)n1cc2c(n1)CN(C2)[C@@H]3C[C@@H]([C@H](OC3)c4cc(c(cc4F)F)F)N,
,,2OLE,,,,,,,
,,,KR2:A:1001,valid,Ki,=,56.2,nM,c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N,
,,,KR2:B:1002,valid,Ki,=,56.2,nM,c1ccc(cc1)C(=O)N2CCCCCN2C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N,
,,2OAG,,,,,,,
,,,DLI:B:4000,valid,Ki,=,3.4,nM,CS(=O)(=O)c1cccc(c1)c2cc(ncn2)N3C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F,
,,2QT9,,,,,,,
,,,524:A:1522,valid,ic50,=,0.0023,uM,CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,,524:B:2322,valid,ic50,=,0.0023,uM,CN(C)C(=O)[C@@H](C1CCC(CC1)c2cccc3n2ncn3)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,,NA:A:1521,Part of Protein,,,,,[Na+],
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Q:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:S:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:T:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:O:1,Part of Protein,,,,,,
,,,NAG NDG:L:1,Part of Protein,,,,,,
,,5T4F,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,75M:B:811,valid,ic50,=,10,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N,
,,,75M:A:812,valid,ic50,=,10,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5ccc(cc5)C#N,
,,,NA:A:813,Part of Protein,,,,,[Na+],
,,3C43,,,,,,,
,,,315:A:1,valid,ic50,=,0.019,uM,CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,,315:B:2,valid,ic50,=,0.019,uM,CS(=O)(=O)c1ccc(c(c1)F)C2NC(ON2)[C@@H](CC3CC3)[C@@H](C(=O)N4CC[C@@H](C4)F)N,
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1281,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1520,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:C:1,Part of Protein,,,,,,
,,5T4B,,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,75N:A:810,valid,ic50,=,0.42,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C,
,,,75N:B:811,valid,ic50,=,0.42,nM,CC#CCn1c2c(nc1N3CCC[C@H](C3)N)-n4ccnc4N(C2=O)Cc5nc(c6ccccc6n5)C,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:811,Part of Protein,,,,,[Na+],
,,5I7U,,,,,,,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:813,Part of Protein,,,,,[Na+],
,,,6AJ:A:812,valid,ic50,=,1.7,nM,CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O,
,,,6AJ:B:812,valid,ic50,=,1.7,nM,CN1C(=O)CN2C1=Nc3c(n(c(n3)N4CCC[C@H](C4)N)Cc5cc(ccc5C#N)F)C2=O,
,,3HAC,,,,,,,
,,,361:A:767,valid,ic50,=,0.0083,uM,c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F,
,,,361:B:2,valid,ic50,=,0.0083,uM,c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NAG:A:1281,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2150,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2092,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:C:1,invalid,,,,,,
,,,NAG NDG:F:1,invalid,,,,,,
,,3EIO,,,,,,,
,,,AJH:A:1,valid,ic50,=,223,nM,c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O,
,,,AJH:B:2,valid,ic50,=,223,nM,c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)C[C@@H](Cc3cc(c(cc3F)F)F)N)C(=O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:821,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:831,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:851,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:871,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:921,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:941,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:971,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,1N1M,,,,,,,
,,,A3M:A:954,valid,Ki,=,2,uM,CC(C)[C@@H](C(=O)N1CCCC1)N,
,,,A3M:B:955,valid,Ki,=,2,uM,CC(C)[C@@H](C(=O)N1CCCC1)N,
,,,NAG:A:782,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:769,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:780,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:I:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NDG FUC:C:1,Part of Protein,,,,,,
,,,NAG NDG MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG FUC:D:1,Part of Protein,,,,,,
,,,NAG NDG:M:1,Part of Protein,,,,,,
,,5ISM,,,,,,,
,,,NAG:B:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,,6DG:A:811,valid,ic50,=,0.7,nM,c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N,
,,,6DG:B:810,valid,ic50,=,0.7,nM,c1cnc2c3c(nn2c1)CN(C3)[C@@H]4C[C@@H]([C@H](OC4)c5cc(ccc5F)F)N,
,,2BGR,,,,,,,
,,,MET ASP PRO VAL ASP PRO ASN ILE GLU:Y:1,valid,Ki,=,250,uM,S(CCC([NH3+])C(=O)NC(C(=O)N1C(C=O)CCC1)CC(=O)[O-])C,
,,,MET ASP PRO VAL ASP PRO ASN ILE GLU:Z:1,valid,Ki,=,250,uM,S(CCC([NH3+])C(=O)NC(C(=O)N1C(C=O)CCC1)CC(=O)[O-])C,
,,,NAG:A:1770,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1780,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1769,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1779,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:H:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,6EOP,,,,,,,
,,,F15:D:101,valid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:F:101,valid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:E:101,valid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,SER LEU ARG PHE LEU TYR GLU GLY:F:10,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)Cc1ccccc1)CCCNC(=[NH2+])N)CC(C)C)C([NH3+])CO,
,,,SER LEU ARG PHE LEU TYR GLU GLY:E:10,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)Cc1ccccc1)CCCNC(=[NH2+])N)CC(C)C)C([NH3+])CO,
,,,SER LEU ARG PHE LEU TYR GLU GLY:D:10,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)Cc1ccccc1)CCCNC(=[NH2+])N)CC(C)C)C([NH3+])CO,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:C:901,Part of Protein,,,,,[Ca+2],
,,,FLC:A:901,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2BUC,,,,,,,
,,,008:A:1767,valid,ic50,=,23,nM,c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N,
,,,008:B:1767,valid,ic50,=,23,nM,c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N,
,,,008:C:1767,valid,ic50,=,23,nM,c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N,
,,,008:D:1767,valid,ic50,=,23,nM,c1ccc2c(c1)C[C@H](N(C2)C(=O)C[C@@H](Cc3ccccc3F)N)C(=O)N,
,,,NAG:A:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1229,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1229,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1321,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1092,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1085,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AJ8,,,,,,,
,,,NAG:A:767,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:768,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:771,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:772,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:767,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:771,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:772,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:773,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:767,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:768,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:769,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:770,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:771,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:767,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:773,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SC3:A:1601,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:A:1608,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:B:1602,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:B:1605,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:C:1603,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:C:1607,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:D:1604,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SC3:D:1606,valid,Ki,=,638,nM,CN1c2c(n(c(n2)N3CC[NH2+]CC3)Cc4ccccc4)C(=O)N(C1=O)C,
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LLS,,,,,,,
,,,NAG:D:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,6Z8:B:809,valid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:D:813,invalid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:A:811,invalid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:C:810,invalid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:A:809,valid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:C:808,valid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:B:811,invalid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
,,,6Z8:D:811,valid,,,,,CN1c2c(n(c(n2)N3CCC[C@H](C3)N)Cc4ccccc4Br)C(=O)N(C1=O)C,
3.4.12.2,,,,,,,,,
,Family. Representative Entry is ,1PCA,,,,,,,
,,,CIT:A:600,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,VAL:A:700,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
1.5.1.30,,,,,,,,,
,Family. Representative Entry is ,5OOH,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,9ZZ:A:303,valid,ic50,=,0.41,uM,c1ccc(c(c1)C2=C3C=C(C(=O)C(=C3Oc4c2cc(c(c4I)O)I)I)I)C(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,5OOG,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,A0B:A:601,valid,ic50,=,0.7,uM,c1c2c(c(c(c1Br)[O-])Br)OC3=C(C(=O)C(=CC3=C2c4c(c(c(c(c4Cl)Cl)Cl)Cl)C(=O)O)Br)Br,
,,,NAP:A:604,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HE3,,,,,,,
,,,MBV:A:1207,Part of Protein,,,,,CCC1=C(C(=O)NC1=Cc2c(c(c([nH]2)C=C/3C(=C(C(=N3)C=C/4C(=C(C(=O)N4)C)CC)CCC(=O)O)C)C)CCC(=O)O)C,
,,,NAP:A:1206,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HDO,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HE4,,,,,,,
,,,FMN:A:1207,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:1206,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HE2,,,,,,,
,,,BLA:A:1207,Part of Protein,,,,,Cc1c(c([nH]c1C=C/2C(=C(C(=O)N2)C=C)C)C=C/3C(=C(C(=N3)C=C/4C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O,
,,,NAP:A:1206,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HE5,,,,,,,
,,,LUM:A:1207,valid,,,,,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,NAP:A:1206,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.1.64,,,,,,,,,
,Family. Representative Entry is ,4XF6,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,IOD:A:310,invalid,,,,,[I-],
,,,IOD:A:309,invalid,,,,,[I-],
,,,IOD:A:307,invalid,,,,,[I-],
,,,IOD:A:311,invalid,,,,,[I-],
,,,IOD:B:306,invalid,,,,,[I-],
,,,IOD:A:313,invalid,,,,,[I-],
,,,IOD:A:308,invalid,,,,,[I-],
,,,IOD:B:305,invalid,,,,,[I-],
,,,IOD:A:306,invalid,,,,,[I-],
,,,IOD:A:314,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:B:307,invalid,,,,,[I-],
,,,IOD:A:315,invalid,,,,,[I-],
,,,IOD:B:308,invalid,,,,,[I-],
,,,IOD:A:312,invalid,,,,,[I-],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,LIP:A:301,valid,,,,,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,LIP:B:301,valid,,,,,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,INS:B:303,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:A:303,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,4XF7,,,,,,,
,,,IOD:B:309,invalid,,,,,[I-],
,,,IOD:A:310,invalid,,,,,[I-],
,,,IOD:A:309,invalid,,,,,[I-],
,,,IOD:A:307,invalid,,,,,[I-],
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:B:304,invalid,,,,,[I-],
,,,IOD:A:311,invalid,,,,,[I-],
,,,IOD:B:306,invalid,,,,,[I-],
,,,IOD:A:313,invalid,,,,,[I-],
,,,IOD:B:310,invalid,,,,,[I-],
,,,IOD:A:308,invalid,,,,,[I-],
,,,IOD:B:313,invalid,,,,,[I-],
,,,IOD:B:305,invalid,,,,,[I-],
,,,IOD:A:306,invalid,,,,,[I-],
,,,IOD:A:314,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:B:311,invalid,,,,,[I-],
,,,IOD:B:307,invalid,,,,,[I-],
,,,IOD:B:312,invalid,,,,,[I-],
,,,IOD:A:315,invalid,,,,,[I-],
,,,IOD:B:308,invalid,,,,,[I-],
,,,IOD:A:312,invalid,,,,,[I-],
,,,ACP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,INS:A:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
3.1.3.12,,,,,,,,,
,Family. Representative Entry is ,6UPE,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,OGS:A:302,valid,Ki,=,56,uM,CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O,
,,,OGS:B:302,valid,Ki,=,56,uM,CCCCCCCCc1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O)O)O,
,,6UPD,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
4.1.2.39,,,,,,,,,
,Family. Representative Entry is ,5YAS,,,,,,,
,,,FAC:A:300,valid,Ki,=,0.55,mM,C(C(F)(F)F)(C(F)(F)F)(O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YAS,,,,,,,
,,,HIS:A:300,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YB7,,,,,,,
,,,ICN:A:300,valid,,,,,CC(C)[C@@](C)(C#N)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SC9,,,,,,,
,,,CNH:A:300,valid,,,,,CC(C)(C#N)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YB6,,,,,,,
,,,MNN:A:300,valid,,,,,c1ccc(cc1)[C@@H](C#N)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
6.3.2.4,,,,,,,,,
,Family. Representative Entry is ,2I80,,,,,,,
,,,G1L:A:400,valid,Ki,=,4,uM,CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F,
,,,G1L:B:400,valid,Ki,=,4,uM,CC(C)(CCl)C(=O)Nc1ccc(cc1)C(F)(F)F,
,,2I8C,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N8D,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5C1P,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:D:404,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:C:408,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DAL DAL:D:402,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,ACT:C:403,invalid,,,,,CC(=O)[O-],
,,5BPF,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:C:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:C:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,5C1O,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,ANP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,5BPH,,,,,,,
,,,ACT:D:403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:403,invalid,,,,,CC(=O)[O-],
,,,ACT:D:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6U1K,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,ADP:C:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:D:405,Part of Protein,,,,,[K+],
,,,K:B:405,Part of Protein,,,,,[K+],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,K:C:405,Part of Protein,,,,,[K+],
,,,CO3:A:407,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:407,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:407,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:407,invalid,,,,,C(=O)([O-])[O-],
,,,DAL DAL:C:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:A:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:B:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:D:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,6U1I,,,,,,,
,,,K:C:403,Part of Protein,,,,,[K+],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DS0:C:405,valid,,,,,C1[C@H](C(=NO1)OP(=O)(O)O)N,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,6U1H,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:C:404,Part of Protein,,,,,[K+],
,,6U1J,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DAL:C:401,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:A:402,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:C:402,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:A:401,valid,,,,,C[C@H](C(=O)O)N,
,,,ADP:C:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:406,Part of Protein,,,,,[K+],
,,,K:C:406,Part of Protein,,,,,[K+],
,,6U1F,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,ATP:B:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CS:A:405,invalid,,,,,[Cs+],
,,,CS:B:406,invalid,,,,,[Cs+],
,,,CS:A:406,invalid,,,,,[Cs+],
,,,CS:B:405,invalid,,,,,[Cs+],
,,,DAL DAL:B:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:A:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,6U1D,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,ATP:B:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,RB:B:406,invalid,,,,,[Rb+],
,,,RB:A:405,invalid,,,,,[Rb+],
,,,RB:A:406,invalid,,,,,[Rb+],
,,,RB:B:405,invalid,,,,,[Rb+],
,,,DAL DAL:B:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:A:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,6U1E,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,ATP:B:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,RB:B:406,invalid,,,,,[Rb+],
,,,RB:A:405,invalid,,,,,[Rb+],
,,,RB:A:406,invalid,,,,,[Rb+],
,,,RB:B:405,invalid,,,,,[Rb+],
,,,DAL DAL:B:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:A:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,6U1G,,,,,,,
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,CS:A:403,invalid,,,,,[Cs+],
,,,CS:B:403,invalid,,,,,[Cs+],
,,,CS:A:404,invalid,,,,,[Cs+],
,,,CS:B:404,invalid,,,,,[Cs+],
,,,ATP:B:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DAL DAL:B:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,,,DAL DAL:A:401,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)C,
,Family. Representative Entry is ,1EHI,,,,,,,
,,,ADP:A:781,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:783,Part of Protein,,,,,[Mg+2],
,,,MG:A:784,Part of Protein,,,,,[Mg+2],
,,,PHY:A:782,valid,,,,,C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O,
,Family. Representative Entry is ,1IOW,,,,,,,
,,,ADP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:330,Part of Protein,,,,,[Mg+2],
,,,MG:A:331,Part of Protein,,,,,[Mg+2],
,,,PHY:A:320,valid,,,,,C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O,
,,1IOV,,,,,,,
,,,ADP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:330,Part of Protein,,,,,[Mg+2],
,,,MG:A:331,Part of Protein,,,,,[Mg+2],
,,,MG:A:332,Part of Protein,,,,,[Mg+2],
,,,POB:A:321,valid,,,,,CC[C@H](C(=O)O)O[P@](=O)([C@@H](C)N)OP(=O)(O)O,
,,2DLN,,,,,,,
,,,ADP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:330,Part of Protein,,,,,[Mg+2],
,,,MG:A:331,Part of Protein,,,,,[Mg+2],
,,,PHY:A:320,valid,,,,,C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O,
,Family. Representative Entry is ,4ME6,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4L1K,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
4.2.1.24,,,,,,,,,
,Family. Representative Entry is ,1W31,,,,,,,
,,,SHO:A:363,valid,Ki,=,0.25,mM,C(CCO)CC(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5MHB,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,PBG:A:401,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,Family. Representative Entry is ,3OBK,,,,,,,
,,,CL:A:400,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:400,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:395,invalid,,,,,[Cl-],
,,,CL:C:400,invalid,,,,,[Cl-],
,,,CL:D:400,invalid,,,,,[Cl-],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:E:395,invalid,,,,,[Cl-],
,,,CL:E:400,invalid,,,,,[Cl-],
,,,CL:F:397,invalid,,,,,[Cl-],
,,,CL:F:400,invalid,,,,,[Cl-],
,,,CL:G:357,invalid,,,,,[Cl-],
,,,CL:G:395,invalid,,,,,[Cl-],
,,,CL:G:400,invalid,,,,,[Cl-],
,,,CL:H:400,invalid,,,,,[Cl-],
,,,EDO:A:375,invalid,,,,,C(CO)O,
,,,EDO:A:380,invalid,,,,,C(CO)O,
,,,EDO:A:385,invalid,,,,,C(CO)O,
,,,EDO:B:370,invalid,,,,,C(CO)O,
,,,EDO:B:375,invalid,,,,,C(CO)O,
,,,EDO:C:370,invalid,,,,,C(CO)O,
,,,EDO:C:375,invalid,,,,,C(CO)O,
,,,EDO:D:370,invalid,,,,,C(CO)O,
,,,EDO:D:375,invalid,,,,,C(CO)O,
,,,EDO:E:375,invalid,,,,,C(CO)O,
,,,EDO:E:390,invalid,,,,,C(CO)O,
,,,EDO:F:370,invalid,,,,,C(CO)O,
,,,EDO:F:375,invalid,,,,,C(CO)O,
,,,EDO:F:385,invalid,,,,,C(CO)O,
,,,EDO:G:375,invalid,,,,,C(CO)O,
,,,EDO:G:385,invalid,,,,,C(CO)O,
,,,EDO:G:390,invalid,,,,,C(CO)O,
,,,EDO:H:375,invalid,,,,,C(CO)O,
,,,EDO:H:385,invalid,,,,,C(CO)O,
,,,MG:A:365,Part of Protein,,,,,[Mg+2],
,,,MG:B:365,Part of Protein,,,,,[Mg+2],
,,,MG:C:365,Part of Protein,,,,,[Mg+2],
,,,MG:D:365,Part of Protein,,,,,[Mg+2],
,,,MG:E:365,Part of Protein,,,,,[Mg+2],
,,,MG:F:365,Part of Protein,,,,,[Mg+2],
,,,MG:G:365,Part of Protein,,,,,[Mg+2],
,,,MG:H:365,Part of Protein,,,,,[Mg+2],
,,,PBG:A:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:B:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:C:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:D:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:E:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:F:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:G:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
,,,PBG:H:360,valid,,,,,c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O,
2.4.1.281,,,,,,,,,
,Family. Representative Entry is ,5AYC,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BMA:B:1,valid,,,,,,
,Family. Representative Entry is ,3WAS,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC BMA:D:1,valid,,,,,,
,,,BGC BMA:C:1,valid,,,,,,
,,3WAT,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC:B:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,3WAU,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:B:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,M1P:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,M1P:B:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
2.7.1.151,,,,,,,,,
,Family. Representative Entry is ,6M88,,,,,,,
,,,MYC:A:501,valid,ic50,=,1.1,uM,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,6M8B,,,,,,,
,,,KMP:A:501,valid,ic50,=,4.4,uM,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,5W2H,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,ADP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I3P:A:704,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6M89,,,,,,,
,,,QUE:A:1001,valid,ic50,=,2.3,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,6M8D,,,,,,,
,,,J8D:A:501,valid,ic50,=,7.2,uM,COc1ccc(cc1O)C2=CC(=O)c3c(cc(cc3O2)O)O,
,,5W2I,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,ADP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I3P:A:704,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,6M8C,,,,,,,
,,,IRH:A:501,valid,ic50,=,2.2,uM,COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,6M8A,,,,,,,
,,,LU2:A:501,valid,ic50,=,5.5,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,6M8E,,,,,,,
,,,J8G:A:501,valid,ic50,=,14,uM,COc1cc(c2c(c1)OC(=C(C2=O)O)c3ccc(c(c3)O)O)O,
,Family. Representative Entry is ,2IF8,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
4.2.1.70,,,,,,,,,
,Family. Representative Entry is ,1KSK,,,,,,,
,,,URA:A:232,valid,,,,,C1=CNC(=O)NC1=O,
,,1KSL,,,,,,,
,,,URA:A:232,valid,,,,,C1=CNC(=O)NC1=O,
3.5.1.5,,,,,,,,,
,Family. Representative Entry is ,1FWE,,,,,,,
,,,HAE:C:989,valid,,,,,CC(=O)NO,
,,,NI:C:574,Part of Protein,,,,,[Ni+2],
,,,NI:C:575,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,6H8J,,,,,,,
,,,SO4:C:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,2PA:C:613,valid,Ki,=,0.62,nM,NP(=O)(N)O,
,,,NI:C:602,Part of Protein,,,,,[Ni+2],
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,5OL4,,,,,,,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NI:C:602,Part of Protein,,,,,[Ni+2],
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,9XN:C:612,valid,,,,,NP(=S)(O)O,
,,,SO4:C:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UBP,,,,,,,
,,,HAE:C:800,valid,Ki,=,2.6,uM,CC(=O)NO,
,,,NI:C:798,Part of Protein,,,,,[Ni+2],
,,,NI:C:799,Part of Protein,,,,,[Ni+2],
,,4AC7,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:C:1578,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:C:1576,invalid,,,,,C(CO)O,
,,,EDO:C:1577,invalid,,,,,C(CO)O,
,,,EDO:C:1573,invalid,,,,,C(CO)O,
,,,EDO:C:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1127,invalid,,,,,C(CO)O,
,,,EDO:C:1575,invalid,,,,,C(CO)O,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:C:600,Part of Protein,,,,,[Ni+2],
,,,OH:C:1571,invalid,,,,,[OH-],
,,,SO4:C:1579,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FLC:C:1572,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,4CEX,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:C:1578,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:C:1576,invalid,,,,,C(CO)O,
,,,EDO:C:1577,invalid,,,,,C(CO)O,
,,,EDO:B:1128,invalid,,,,,C(CO)O,
,,,EDO:C:1573,invalid,,,,,C(CO)O,
,,,EDO:C:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1127,invalid,,,,,C(CO)O,
,,,EDO:C:1575,invalid,,,,,C(CO)O,
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,,NI:C:600,Part of Protein,,,,,[Ni+2],
,,,SO4:C:1579,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F:C:1572,valid,,,,,[F-],
,,,F:C:1571,valid,,,,,[F-],
,,6RKG,,,,,,,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,SO4:C:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2PA:C:617,valid,,,,,NP(=O)(N)O,
,,,NI:C:602,Part of Protein,,,,,[Ni+2],
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,6RP1,,,,,,,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,2PA:C:619,valid,,,,,NP(=O)(N)O,
,,,SO4:C:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NI:C:602,Part of Protein,,,,,[Ni+2],
,,,NI:C:601,Part of Protein,,,,,[Ni+2],
,,3UBP,,,,,,,
,,,2PA:C:902,valid,,,,,NP(=O)(N)O,
,,,NI:C:900,Part of Protein,,,,,[Ni+2],
,,,NI:C:901,Part of Protein,,,,,[Ni+2],
2.7.7.2,,,,,,,,,
,Family. Representative Entry is ,2WSI,,,,,,,
,,,FAD:A:2762,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3G6K,,,,,,,
,,,BGC:B:311,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,FAD:A:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:308,Part of Protein,,,,,[Mg+2],
,,,MG:A:309,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:B:308,Part of Protein,,,,,[Mg+2],
,,,MG:B:309,Part of Protein,,,,,[Mg+2],
,,,MG:C:307,Part of Protein,,,,,[Mg+2],
,,,MG:D:307,Part of Protein,,,,,[Mg+2],
,,,MG:E:307,Part of Protein,,,,,[Mg+2],
,,,MG:F:307,Part of Protein,,,,,[Mg+2],
,,,MG:F:308,Part of Protein,,,,,[Mg+2],
,,,MG:F:309,Part of Protein,,,,,[Mg+2],
,,,MG:F:310,Part of Protein,,,,,[Mg+2],
,,,POP:A:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:E:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:F:305,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:B:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G59,,,,,,,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,POP:A:307,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,3G5A,,,,,,,
,,,APC:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:E:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:F:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,FMN:A:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:C:307,Part of Protein,,,,,[Mg+2],
,,,MG:D:307,Part of Protein,,,,,[Mg+2],
,,,MG:E:307,Part of Protein,,,,,[Mg+2],
,,,MG:F:307,Part of Protein,,,,,[Mg+2],
,,,SO4:D:308,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.3.21,,,,,,,,,
,Family. Representative Entry is ,2RGH,,,,,,,
,,,FAD:A:609,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2RGO,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.14.14.3,,,,,,,,,
,Family. Representative Entry is ,3FGC,,,,,,,
,,,FMN:A:3402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:356,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:359,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:359,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:337,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.32,,,,,,,,,
,Family. Representative Entry is ,4R78,,,,,,,
,,,MES:A:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,AMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4R7B,,,,,,,
,,,CHT:A:301,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:301,valid,,,,,C[N+](C)(C)CCO,
,Family. Representative Entry is ,5EQY,,,,,,,
,,,5RA:A:501,valid,Kd,=,10,nM,CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C,
,,,5RA:B:501,valid,Kd,=,10,nM,CN1CCCN(CC1)Cc2ccc(cc2)c3ccc(cc3C#N)CN4CCCN(CC4)C,
,,3ZM9,,,,,,,
,,,QMQ:A:1458,valid,,,,,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N,
,,,QMQ:B:1458,valid,,,,,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)Cn4cnc5c4ncnc5N,
,,7A04,,,,,,,
,,,QTK:A:501,valid,,,,,c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3,
,,,QTK:B:501,valid,,,,,c1ccc(cc1)C[n+]2ccc(cc2)N3CCCC3,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,5FUT,,,,,,,
,,,EDO:A:1465,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1463,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1461,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1466,invalid,,,,,C(CO)O,
,,,EDO:A:1462,invalid,,,,,C(CO)O,
,,,EDO:A:1464,invalid,,,,,C(CO)O,
,,,PQ7:A:1467,valid,Kd,=,352,nM,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N5CCCC5,
,,4CG9,,,,,,,
,,,GQG:A:0,valid,,,,,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3,
,,4CG8,,,,,,,
,,,G8V:A:1459,valid,,,,,CN(C)c1cc[n+](cc1)Cc2ccccc2,
,,,G8S:A:1458,valid,Kd,=,0.11,uM,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCCCc3ccc(cc3)C[n+]4ccc(cc4)N(C)c5ccc(cc5)Cl,
,,5AFV,,,,,,,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:B:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1461,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1462,invalid,,,,,C(CO)O,
,,,JH5:B:1459,valid,Kd,=,2.6,uM,c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3,
,,,JH5:B:1460,valid,Kd,=,2.6,uM,c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3,
,,,JH5:A:1463,valid,Kd,=,2.6,uM,c1ccc(cc1)CN[n+]2cnn(c2)Cc3ccccc3,
,,5EQE,,,,,,,
,,,5R8:B:501,valid,Kd,=,132,uM,CN1CCCN(CC1)Cc2ccc(cc2)CN,
,,,5R8:A:501,valid,Kd,=,132,uM,CN1CCCN(CC1)Cc2ccc(cc2)CN,
,,5FTG,,,,,,,
,,,EDO:A:1468,invalid,,,,,C(CO)O,
,,,EDO:A:1465,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1463,invalid,,,,,C(CO)O,
,,,EDO:A:1461,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1466,invalid,,,,,C(CO)O,
,,,EDO:A:1467,invalid,,,,,C(CO)O,
,,,EDO:A:1462,invalid,,,,,C(CO)O,
,,,EDO:A:1464,invalid,,,,,C(CO)O,
,,,NBR:A:1458,valid,Kd,=,0.7,uM,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4)N(C)C,
,,2CKQ,,,,,,,
,,,PC:A:1458,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:1458,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,7A06,,,,,,,
,,,QTH:A:501,valid,,,,,c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4,
,,,QTH:A:502,valid,,,,,c1ccc(cc1)c2ccc(cc2)C[n+]3ccc(cc3)N4CCCC4,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,5W6O,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,9X1:B:501,valid,ic50,=,520,nM,CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl,
,,,9X1:A:501,valid,ic50,=,520,nM,CN(c1ccc(cc1)Cl)c2cc[n+](c3c2cccc3)Cc4ccc(cc4)c5ccc(cc5)C[n+]6ccc(c7c6cccc7)N(C)c8ccc(cc8)Cl,
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5EQP,,,,,,,
,,,5R9:A:501,valid,Kd,=,4,uM,CN1CCCN(CC1)Cc2ccc3c(c2)cccn3,
,,,5R9:B:501,valid,Kd,=,4,uM,CN1CCCN(CC1)Cc2ccc3c(c2)cccn3,
,,4BR3,,,,,,,
,,,PO4:B:1460,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U85:A:1458,valid,Kd,=,1.9,uM,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N,
,,,U85:B:1458,valid,Kd,=,1.9,uM,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccc(cc3)Cn4cnc(c-5ncnc45)N,
,,,A4V:A:1459,valid,,,,,c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N,
,,,A4V:B:1459,valid,,,,,c1ccc(cc1)C[n+]2cnc(c3c2[nH]cn3)N,
,,4CGA,,,,,,,
,,,QLW:A:0,valid,,,,,CN(C)c1cc[n+](cc1)Cc2ccc(cc2)CCc3ccccc3,
,Family. Representative Entry is ,4DA5,,,,,,,
,,,0H7:A:502,valid,Ki,=,0.36,uM,c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl,
,,,0H7:B:502,valid,Ki,=,0.36,uM,c1cc(sc1C(c2ccc(s2)Cl)([C@H]3CN4CCC3CC4)O)Cl,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.7.25,,,,,,,,,
,Family. Representative Entry is ,1R89,,,,,,,
,,,CL:A:633,invalid,,,,,[Cl-],
,,,CTP:A:501,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:502,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:750,Part of Protein,,,,,[Mg+2],
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,1R8B,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:691,invalid,,,,,[Cl-],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,1R8C,,,,,,,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
5.4.99.17,,,,,,,,,
,Family. Representative Entry is ,1UMP,,,,,,,
,,,C8E:A:1629,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1629,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1630,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:C:1629,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:C:1630,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,SQA:A:1630,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCC=C(/C)CCC=C(/C)CCCN(C)C)/C)/C)C,
,,,SQA:B:1631,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCC=C(/C)CCC=C(/C)CCCN(C)C)/C)/C)C,
,,,SQA:C:1631,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCC=C(/C)CCC=C(/C)CCCN(C)C)/C)/C)C,
2.5.1.17,,,,,,,,,
,Family. Representative Entry is ,4HUT,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,ATP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:B:203,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:A:203,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,1G5T,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3CI3,,,,,,,
,,,3PO:A:901,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,5AD:A:902,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,MG:A:190,invalid,,,,,[Mg+2],
,,,NA:A:189,Part of Protein,,,,,[Na+],
,,3CI1,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,K:A:189,Part of Protein,,,,,[K+],
,,,MG:A:190,invalid,,,,,[Mg+2],
,,3GAH,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,K:A:191,Part of Protein,,,,,[K+],
,,,MG:A:189,Part of Protein,,,,,[Mg+2],
,,,MG:A:190,Part of Protein,,,,,[Mg+2],
,,3CI4,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CBY:A:800,invalid,,,,,CC1=C2[C@]([C@H]([C@H]3[N-]2[Co+2]45[N]6=C1[C@H](C(C6=CC7=[N]4C(=C(C8=[N]5[C@@]3([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O,
,,,K:A:189,Part of Protein,,,,,[K+],
,,,MG:A:190,invalid,,,,,[Mg+2],
,,3GAI,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,CL:A:192,invalid,,,,,[Cl-],
,,,CL:A:193,invalid,,,,,[Cl-],
,,,GOL:A:888,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:889,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,K:A:190,Part of Protein,,,,,[K+],
,,,K:A:191,Part of Protein,,,,,[K+],
,,,MG:A:189,Part of Protein,,,,,[Mg+2],
,,3GAJ,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,K:A:182,Part of Protein,,,,,[K+],
,,,MG:A:183,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6D5X,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:C:306,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,invalid,,,,,[Mg+2],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5AD:B:301,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:301,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,B12:A:302,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:302,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,3PO:A:305,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,2IDX,,,,,,,
,,,ATP:A:607,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2NT8,,,,,,,
,,,ATP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:888,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:889,invalid,,,,,C(C(CO)O)O,
,,,MG:A:998,invalid,,,,,[Mg+2],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2ZHZ,,,,,,,
,,,ATP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:206,invalid,,,,,C(C(CO)O)O,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
3.6.4.9,,,,,,,,,
,Family. Representative Entry is ,1Q3Q,,,,,,,
,,,ANP:A:1528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:3528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:4528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1527,Part of Protein,,,,,[Mg+2],
,,,MG:B:2527,Part of Protein,,,,,[Mg+2],
,,,MG:C:3527,Part of Protein,,,,,[Mg+2],
,,,MG:D:4527,Part of Protein,,,,,[Mg+2],
5.3.99.6,,,,,,,,,
,Family. Representative Entry is ,4H69,,,,,,,
,,,10Y:A:202,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:B:401,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:C:401,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:D:202,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:F:401,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:B:402,invalid,,,,,CC(C)O,
,,,IPA:D:203,invalid,,,,,CC(C)O,
,,,IPA:F:402,invalid,,,,,CC(C)O,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4H6B,,,,,,,
,,,10X:A:201,valid,,,,,CC/C=CC[C@H]1[C@@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10X:B:301,valid,,,,,CC/C=CC[C@H]1[C@@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10X:J:203,valid,,,,,CC/C=CC[C@H]1[C@@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:A:202,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,10Y:G:203,valid,,,,,CC/C=CC[C@H]1[C@H](O1)C/C=CCCCCCCCC(=O)O,
,,,HEZ:B:304,invalid,,,,,C(CCCO)CCO,
,,,HEZ:C:202,invalid,,,,,C(CCCO)CCO,
,,,HEZ:D:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:E:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:F:301,invalid,,,,,C(CCCO)CCO,
,,,HEZ:F:304,invalid,,,,,C(CCCO)CCO,
,,,HEZ:F:305,invalid,,,,,C(CCCO)CCO,
,,,HEZ:H:203,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:K:201,invalid,,,,,C(CCCO)CCO,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2DIO,,,,,,,
,,,EOD:B:401,valid,,,,,CCCCC[C@H]1[C@H](O1)CCCCCCCCCCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
4.3.3.7,,,,,,,,,
,Family. Representative Entry is ,5F1V,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,3VN:A:304,valid,Ki,~,200,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,3VN:A:301,valid,Ki,~,200,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,3VN:B:305,valid,Ki,~,200,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,3VN:D:305,valid,Ki,~,200,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:301,invalid,,,,,C(COCCOCCO)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,5F1U,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,PG4:A:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,3VN:A:301,valid,ic50,=,400,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,3VN:D:301,valid,ic50,=,400,nM,C(CCN)C[C@@](CC[C@](CCCCN)(C(=O)O)N)(C(=O)O)N,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,PGE:B:302,invalid,,,,,C(COCCOCCO)O,
1.14.11.13,,,,,,,,,
,Family. Representative Entry is ,6KU3,,,,,,,
,,,GA4:A:402,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:B:401,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:D:401,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:C:401,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:A:401,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GA4:C:402,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,AKG:D:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
1.14.11.1,,,,,,,,,
,Family. Representative Entry is ,4BG1,,,,,,,
,,,IVL:A:901,valid,ic50,=,0.49,uM,C[N+]1(CCCC1)CCCC(=O)O,
,,,OGA:A:900,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,16D:A:904,invalid,,,,,C(CCCN)CCN,
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:906,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,4BGK,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,RTK:A:401,valid,ic50,=,0.52,uM,C[N+](C)(C)CCCP(=O)O,
,,,16D:A:404,invalid,,,,,C(CCCN)CCN,
,,,OGA:A:400,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4BHF,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,MZT:A:401,valid,Kd,=,4.1,uM,C[C@H](CCC(=O)O)[N+](C)(C)C,
,,,16D:A:404,invalid,,,,,C(CCCN)CCN,
,,,OGA:A:400,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4CWD,,,,,,,
,,,PEG:A:1387,invalid,,,,,C(COCCO)O,
,,,OGA:A:1386,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:389,Part of Protein,,,,,[Zn+2],
,,,NI:A:388,Part of Protein,,,,,[Ni+2],
,,,449:A:1385,valid,,,,,C[N+]1(CCC(CC1)C(=O)O)C,
,,4C5W,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,NM3:A:401,valid,ic50,=,3.3,uM,CC[N+](C)(C)CCCC(=O)O,
,,,OGA:A:400,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,16D:A:406,invalid,,,,,C(CCCN)CCN,
,,4BGM,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,DLT:A:401,valid,ic50,=,0.61,uM,C[N+](C)(CCCC(=O)O)CCF,
,,,16D:A:404,invalid,,,,,C(CCCN)CCN,
,,,OGA:A:400,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,4BHI,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,RUJ:A:401,valid,Kd,=,9.3,uM,CN(CCC(=O)O)[N+](C)(C)C,
,,,16D:A:404,invalid,,,,,C(CCCN)CCN,
,,,OGA:A:400,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
2.7.7.64,,,,,,,,,
,Family. Representative Entry is ,3OH3,,,,,,,
,,,GOL:A:643,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:644,invalid,,,,,C(C(CO)O)O,
,,,UAD:A:642,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,3OH2,,,,,,,
,,,GDU:A:642,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GOL:A:643,invalid,,,,,C(C(CO)O)O,
,,3OH4,,,,,,,
,,,GOL:A:642,invalid,,,,,C(C(CO)O)O,
,,,UPG:A:7566,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3OH1,,,,,,,
,,,GOL:A:643,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:644,invalid,,,,,C(C(CO)O)O,
,,,UGB:A:642,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,3OH0,,,,,,,
,,,GOL:A:643,invalid,,,,,C(C(CO)O)O,
,,,UTP:A:642,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
1.3.1.10,,,,,,,,,
,Family. Representative Entry is ,4D42,,,,,,,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1260,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,W0I:E:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:C:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:H:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:F:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:B:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:G:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:D:1258,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,W0I:A:1257,valid,Ki,=,0.01,nM,CCCCCCc1cc(c(cc1F)Oc2ccccc2)O,
,,,GLU:A:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4BNK,,,,,,,
,,,FPL:B:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:C:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:E:1259,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:G:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:A:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:F:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:H:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,FPL:D:1258,valid,Ki,=,1.42,nM,c1ccc(cc1)Oc2ccc(cc2O)F,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,CL:E:1257,invalid,,,,,[Cl-],
,,4ALI,,,,,,,
,,,GLU:A:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1260,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TCL:A:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:1257,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:E:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:F:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:G:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:H:1258,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,4CV0,,,,,,,
,,,EDO:D:1259,invalid,,,,,C(CO)O,
,,,EDO:B:1260,invalid,,,,,C(CO)O,
,,,PT6:C:1258,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:D:1258,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:A:1258,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:B:1258,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,SO4:C:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:C:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4D41,,,,,,,
,,,JA1:C:1258,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:A:1259,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:H:1257,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:G:1257,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:E:1258,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:B:1257,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:C:1257,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,JA1:E:1257,valid,Ki,=,0.05,nM,CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-],
,,,GLU:B:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1257,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MPD:D:1257,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:1260,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1257,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:1260,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:1259,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:1258,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:1258,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:1258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1260,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4BNG,,,,,,,
,,,5PP:H:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:E:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:C:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:A:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:B:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:F:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:G:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,5PP:D:1257,valid,Ki,=,0.04,nM,CCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4BNL,,,,,,,
,,,W1G:G:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:F:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:D:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:A:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:B:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:E:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:C:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,W1G:H:1258,valid,Ki,=,110,pM,C=CCc1ccc(c(c1)O)Oc2ccccc2,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4D45,,,,,,,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,J47:F:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:B:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:D:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:H:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:E:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:A:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:G:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,J47:C:1258,valid,Ki,=,0.17,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2C#N)Br,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4BNM,,,,,,,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TCU:E:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:H:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:F:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:B:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:G:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:C:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:D:1258,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,TCU:A:1257,valid,,,,,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C,
,,,GLU:C:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4ALK,,,,,,,
,,,E9P:A:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:B:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:C:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:D:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:E:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:F:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:G:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,E9P:H:1001,valid,,,,,CCc1ccc(c(c1)O)Oc2ccccc2,
,,,GLU:A:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1003,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GR6,,,,,,,
,,,NAP:A:361,valid,Kd,=,18.6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:257,valid,Kd,=,18.6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:257,valid,Kd,=,18.6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:257,valid,Kd,=,18.6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TCL:A:371,valid,Kd,=,2.92,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:258,valid,Kd,=,2.92,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:G:258,valid,Kd,=,2.92,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:J:258,valid,Kd,=,2.92,nM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,4BNH,,,,,,,
,,,6PN:B:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:F:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:H:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:E:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:C:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:A:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:G:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,6PN:D:1258,valid,Ki,=,10,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4BNI,,,,,,,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P1F:C:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:H:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:F:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:A:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:D:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:G:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:B:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,P1F:E:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2N,
,,,GLU:A:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4BNN,,,,,,,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:A:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1001,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,JUS:C:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:H:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:E:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:D:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:G:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:F:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:B:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,,JUS:A:1257,valid,Ki,=,120,pM,CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N,
,,4CV1,,,,,,,
,,,EDO:B:1258,invalid,,,,,C(CO)O,
,,,EDO:H:1257,invalid,,,,,C(CO)O,
,,,EDO:E:1261,invalid,,,,,C(CO)O,
,,,EDO:A:1270,invalid,,,,,C(CO)O,
,,,EDO:G:1358,invalid,,,,,C(CO)O,
,,,EDO:G:1257,invalid,,,,,C(CO)O,
,,,EDO:C:1270,invalid,,,,,C(CO)O,
,,,PT6:A:1261,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:F:1259,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:E:1260,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:D:1258,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:H:1259,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:C:1259,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:G:1260,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,PT6:B:1260,valid,,,,,Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3,
,,,SO4:B:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:F:1357,invalid,,,,,[Cl-],
,,,NDP:B:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:1258,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:1259,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4BNJ,,,,,,,
,,,GLU:G:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MJ5:B:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:E:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:F:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:A:1258,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:C:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:H:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:D:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,,MJ5:G:1257,valid,Ki,=,380,pM,Cc1ccc(c(c1)O)Oc2ccccc2,
,,4FS3,,,,,,,
,,,0WD:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N,
,,,0WE:A:302,valid,Ki,=,12.8,nM,Cc1c2ccccc2oc1CN(C)C(=O)CCc3cc4c(nc3)NC(=O)CC4,
,,4D44,,,,,,,
,,,NAP:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,JA3:G:1258,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:B:1257,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:G:1257,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:E:1258,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:A:1259,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:E:1257,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:C:1257,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,JA3:C:1258,valid,Ki,=,0.35,nM,CCc1cc(c(cc1F)Oc2cccnc2F)O,
,,,GLU:E:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1257,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1258,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MRD:A:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:G:1261,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1259,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:1260,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:1260,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:F:1258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:G:1259,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,6TBB,,,,,,,
,,,NDP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,KAL:H:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:B:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:A:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:D:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:E:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:G:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:C:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,,KAL:F:302,valid,,,,,C[C@@H](C/C=C/C=CCCC(=C)C[C@@H](C)C/C(=C/C(=O)O)/C)CC(=O)C[C@H](CNC(=O)[C@H](C)[C@@H](C)OC(=O)N)O,
,,4D43,,,,,,,
,,,GLU:E:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1261,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1260,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MRD:B:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:G:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:F:1257,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:1259,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:1258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:G:1258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAP:E:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,9W7:B:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:H:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:A:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:D:1258,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:G:1260,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:C:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:F:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,,9W7:E:1259,valid,Ki,=,0.75,nM,CCc1cc(c(cc1F)Oc2ccc(cc2Cl)[N+](=O)[O-])O,
,,4ALJ,,,,,,,
,,,CH8:A:1258,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:B:1258,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:C:1258,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:D:1257,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:E:1259,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:F:1258,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:G:1258,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,CH8:H:1257,valid,,,,,c1ccc(cc1)Oc2ccc(cc2O)Cl,
,,,GLU:A:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1258,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1259,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1257,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4BNF,,,,,,,
,,,PV4:E:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:C:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:G:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:A:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:B:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:F:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:D:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,PV4:H:1258,valid,,,,,CCCc1ccc(c(c1)O)Oc2ccccc2,
,,,NAP:C:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GLU:A:1259,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:1000,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4WAS,,,,,,,
,,,COO:B:402,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COO:A:402,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COO:C:402,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LB9,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,NA:B:407,invalid,,,,,[Na+],
,,,NA:B:408,invalid,,,,,[Na+],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NAP:A:405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LBX,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COO:B:407,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COO:A:410,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CL:A:411,invalid,,,,,[Cl-],
,,1GUF,,,,,,,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1388,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1389,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WYV,,,,,,,
,,,NA:A:1258,Part of Protein,,,,,[Na+],
,,,NA:B:1261,Part of Protein,,,,,[Na+],
,,,NA:C:1260,Part of Protein,,,,,[Na+],
,,,NAD:B:1260,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1258,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2WYW,,,,,,,
,,,NAD:A:1260,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1259,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TCL:A:1261,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:1260,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:1260,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:1260,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,Family. Representative Entry is ,1N9G,,,,,,,
,,,NAP:A:2387,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3387,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:4387,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1532,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1534,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1531,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1533,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1536,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1537,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3OID,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TCL:A:601,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:603,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:C:604,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:D:602,valid,,,,,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
1.14.14.-,,,,,,,,,
,Family. Representative Entry is ,5L92,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,C0R:A:502,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,MLA:A:503,valid,,,,,C(C(=O)O)C(=O)O,
,,5L91,,,,,,,
,,,C0R:A:505,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:B:505,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:B:503,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:B:502,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:B:504,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:A:504,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:A:503,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,C0R:A:502,valid,Kd,=,91,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5L94,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TES:A:502,valid,Kd,=,105,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,6DAA,,,,,,,
,,,G0M:A:602,valid,Kd,=,0.042,uM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6MA8,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,PMF:A:604,valid,Kd,=,2650,uM,c1ccc(cc1)CS(=O)(=O)F,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D6Z,,,,,,,
,,,GOL:A:1603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1605,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IMD:A:1601,invalid,,,,,c1c[nH+]c[nH]1,
,,,PK9:A:1600,valid,,,,,CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1,
,,5VCE,,,,,,,
,,,RIT:A:602,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3UA1,,,,,,,
,,,08Y:A:600,valid,Kd,=,0.37,uM,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O,
,,,HEM:A:508,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6DAB,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,G0V:A:603,valid,Kd,=,0.042,uM,CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6UNG,,,,,,,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QEP:A:602,valid,ic50,=,0.055,uM,CC(C)(C)OC(=O)N[C@@H](Cc1cccc2c1cccc2)CSC[C@@H](C(=O)NCc3cccnc3)Nc4ccccc4,
,,6MA6,,,,,,,
,,,MYT:A:603,valid,Kd,=,2.4,uM,CC(C)(c1cccnc1)C(=O)c2cccnc2,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6OOB,,,,,,,
,,,MWS:A:602,valid,,,,,C/C(=C/COc1c2ccoc2cc3c1C=CC(=O)O3)/CC[C@@H](C(C)(C)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6DAJ,,,,,,,
,,,GLN:A:604,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FZV:A:602,valid,Kd,=,0.055,uM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3cccnc3,
,,4K9T,,,,,,,
,,,1RD:A:603,valid,ic50,=,15,uM,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2,
,,,1RD:A:602,valid,ic50,=,15,uM,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)NCCCCNC(=O)OCc2cncs2,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4K9W,,,,,,,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7AW:D:602,valid,ic50,=,2.8,uM,CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3,
,,,7AW:C:602,valid,ic50,=,2.8,uM,CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3,
,,,7AW:B:602,valid,ic50,=,2.8,uM,CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3,
,,,7AW:A:602,valid,ic50,=,2.8,uM,CCC[C@@H](CC[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc2csc(n2)C(C)C)NC(=O)OCc3cncs3,
,,6DA5,,,,,,,
,,,G1J:A:602,valid,Kd,=,0.07,uM,CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@@H](Cc2ccccc2)C(=O)NCc3cccnc3,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6OO9,,,,,,,
,,,MWV:A:602,valid,,,,,CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5A1R,,,,,,,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,STR:A:600,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,6MA7,,,,,,,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,TPF:A:602,valid,Kd,=,17,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5A1P,,,,,,,
,,,HEM:A:1500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CIT:A:1700,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,STR:A:1600,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,6DA3,,,,,,,
,,,G0D:A:602,valid,Kd,=,0.063,uM,CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCc3cccnc3,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3NXU,,,,,,,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:B:704,invalid,,,,,CS(=O)C,
,,,DMS:B:705,invalid,,,,,CS(=O)C,
,,,HEM:A:508,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:508,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RIT:A:600,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,,RIT:B:600,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,4D75,,,,,,,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PK9:A:600,valid,Kd,=,105,uM,CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccnc1,
,,5VCG,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,08Y:A:602,valid,,,,,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
5.3.99.2,,,,,,,,,
,Family. Representative Entry is ,4ORR,,,,,,,
,,,PE3:A:401,valid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4IMO,,,,,,,
,,,SCN:A:204,invalid,,,,,C(#N)[S-],
,,,SCN:A:203,invalid,,,,,C(#N)[S-],
,,,PWZ:A:202,valid,,,,,CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O,
,,,PWZ:A:201,valid,,,,,CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O,
,Family. Representative Entry is ,5YWX,,,,,,,
,,,GSH:C:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,93C:D:302,valid,Kd,=,0.14,nM,c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O,
,,,93C:C:203,valid,Kd,=,0.14,nM,c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O,
,,,93C:B:203,valid,Kd,=,0.14,nM,c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O,
,,,93C:A:302,valid,Kd,=,0.14,nM,c1ccnc(c1)c2ncc(cn2)C(=O)Nc3ccc(cc3)N4CCCC4=O,
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,2VD1,,,,,,,
,,,D28:B:1200,valid,ic50,=,0.138,uM,Cc1cc(ccc1F)c2csc(n2)Nc3ccc(c(c3)O)C(=O)O,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:B:1201,invalid,,,,,[Mg+2],
,,4EC0,,,,,,,
,,,7PQ:A:203,valid,,,,,c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CN,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,5AIX,,,,,,,
,,,MG:A:1200,invalid,,,,,[Mg+2],
,,,MG:D:1200,invalid,,,,,[Mg+2],
,,,GSH:C:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,KRX:B:1201,valid,Kd,=,0.012,uM,COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F,
,,,KRX:C:1201,valid,Kd,=,0.012,uM,COc1cccc(c1)c2ccc(cn2)C(=O)NC3CCN(CC3)CC(F)(F)F,
,,2CVD,,,,,,,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3004,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:2001,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:2002,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:2003,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:2004,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,HQL:A:2201,valid,Kd,=,0.8,uM,c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4,
,,,HQL:B:2401,valid,Kd,=,0.8,uM,c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4,
,,,HQL:C:2601,valid,Kd,=,0.8,uM,c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4,
,,,HQL:D:2801,valid,Kd,=,0.8,uM,c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH]nnn4,
,,,MG:A:4001,invalid,,,,,[Mg+2],
,,,MG:B:4002,invalid,,,,,[Mg+2],
,,3VI7,,,,,,,
,,,CA:C:902,Part of Protein,,,,,[Ca+2],
,,,CA:D:901,Part of Protein,,,,,[Ca+2],
,,,CBD:A:201,invalid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O,
,,,CBD:B:401,invalid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O,
,,,GSH:A:200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:400,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:600,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4EDY,,,,,,,
,,,9PQ:A:203,valid,,,,,c1ccc2c(c1)ccc(c2c3ccc(cc3)C(=O)NCCN4CCOCC4)CO,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:201,invalid,,,,,[Mg+2],
,,4EE0,,,,,,,
,,,0O4:A:202,valid,,,,,c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,0O4:B:201,valid,,,,,c1ccc2c(c1)ccnc2c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,GSF:A:203,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSF:B:202,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:201,invalid,,,,,[Mg+2],
,,5AIS,,,,,,,
,,,CWC:C:1200,valid,Kd,=,0.57,uM,CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3,
,,,CWC:B:1200,valid,Kd,=,0.57,uM,CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3,
,,,CWC:A:1200,valid,Kd,=,0.57,uM,CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3,
,,,CWC:D:1200,valid,Kd,=,0.57,uM,CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3,
,,,GSH:B:1202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:D:1201,invalid,,,,,[Mg+2],
,,,MG:B:1201,invalid,,,,,[Mg+2],
,,2VCX,,,,,,,
,,,D26:B:1201,valid,ic50,=,0.021,uM,c1ccc(cc1)c2ncc(s2)c3cc[nH]n3,
,,,D26:C:1202,valid,ic50,=,0.021,uM,c1ccc(cc1)c2ncc(s2)c3cc[nH]n3,
,,,D26:D:1201,valid,ic50,=,0.021,uM,c1ccc(cc1)c2ncc(s2)c3cc[nH]n3,
,,,GSH:A:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:1200,invalid,,,,,[Mg+2],
,,,MG:C:1200,invalid,,,,,[Mg+2],
,,6W8H,,,,,,,
,,,GSH:C:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,TJG:C:202,valid,ic50,=,9.4,nM,CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O,
,,,TJG:A:203,valid,ic50,=,9.4,nM,CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(nc3nc2)C4CC4)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,3VI5,,,,,,,
,,,CA:C:901,Part of Protein,,,,,[Ca+2],
,,,CA:D:900,Part of Protein,,,,,[Ca+2],
,,,GOL:D:1001,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:400,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,M4M:C:803,valid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N,
,,,M4M:D:804,valid,,,,,c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(cc4)S(=O)(=O)N,
,,5AIV,,,,,,,
,,,M1W:A:1200,valid,Kd,=,0.65,uM,COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3,
,,,M1W:B:1200,valid,Kd,=,0.65,uM,COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3,
,,,M1W:D:1200,valid,Kd,=,0.65,uM,COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3,
,,,M1W:C:1200,valid,Kd,=,0.65,uM,COCCCNC(=O)c1nc(no1)c2cccc3c2cc[nH]3,
,,,MG:A:1202,invalid,,,,,[Mg+2],
,,,MG:C:1202,invalid,,,,,[Mg+2],
,,,GSH:D:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1V40,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3005,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:3200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:3400,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:3600,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:3800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:3900,invalid,,,,,[Mg+2],
,,,MG:B:3901,invalid,,,,,[Mg+2],
,,,O16:A:3201,Part of Protein,,,,,c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5,
,,,O16:B:3401,Part of Protein,,,,,c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5,
,,,O16:C:3601,Part of Protein,,,,,c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5,
,,,O16:D:3801,Part of Protein,,,,,c1ccc(cc1)C=Cc2nn([n+](n2)c3ccc4c(c3)C(=O)NNC4=O)c5nc6ccccc6s5,
,,1IYI,,,,,,,
,,,CA:C:1901,Part of Protein,,,,,[Ca+2],
,,,CA:D:1900,Part of Protein,,,,,[Ca+2],
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1400,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1600,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,6W58,,,,,,,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SWS:A:202,valid,ic50,=,3.9,nM,CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O,
,,,SWS:B:201,valid,ic50,=,3.9,nM,CC(C)(C1CCC(CC1)NC(=O)c2cc3cnc(cc3nc2)N4CCC4)O,
,,2VCW,,,,,,,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ZZA:B:1201,valid,ic50,=,890,uM,c1ccc(cc1)n2cc(cn2)C(=O)O,
,,2VCZ,,,,,,,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,VC3:B:1200,valid,,,,,c1cc(ccc1c2cc[nH]n2)[N+](=O)[O-],
,,4EDZ,,,,,,,
,,,0O5:A:202,valid,,,,,Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,0O5:B:203,valid,,,,,Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,0O5:C:203,valid,,,,,Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,0O5:D:202,valid,,,,,Cc1cc2ccccc2c(n1)c3ccc(cc3)C(=O)NCCN4CCOCC4,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,3EE2,,,,,,,
,,,GSH:A:200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:B:300,invalid,,,,,[Mg+2],
,,,NZO:A:201,valid,ic50,~,65,uM,COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3,
,,1IYH,,,,,,,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1400,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1600,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1800,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:1901,invalid,,,,,[Mg+2],
,,,MG:B:1902,invalid,,,,,[Mg+2],
,,2VD0,,,,,,,
,,,D27:B:1200,valid,ic50,=,11.6,uM,COc1ccc(cc1OC)C=CC(=O)Nc2ccccc2C(=O)O,
,,,GOL:C:1200,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,6N4E,,,,,,,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,KCD:A:202,valid,ic50,=,9.9,nM,CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O,
,,2VCQ,,,,,,,
,,,D25:A:1201,valid,ic50,=,0.92,uM,c1ccc(cc1)c2cc(on2)c3cc[nH]n3,
,,,D25:B:1201,valid,ic50,=,0.92,uM,c1ccc(cc1)c2cc(on2)c3cc[nH]n3,
,,,D25:C:1201,valid,ic50,=,0.92,uM,c1ccc(cc1)c2cc(on2)c3cc[nH]n3,
,,,GSH:A:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:1200,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6N69,,,,,,,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,KDV:B:202,valid,ic50,=,220000,nM,c1ccc2c(c1)cc(cn2)C#N,
,,,KDV:A:202,valid,ic50,=,220000,nM,c1ccc2c(c1)cc(cn2)C#N,
,,1PD2,,,,,,,
,,,GSH:1:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:2:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
1.1.3.22,,,,,,,,,
,Family. Representative Entry is ,1FIQ,,,,,,,
,,,9494_9495_9496_9497_:C:1334,invalid,,,,,,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:C:1336,invalid,,,,,C(C(CO)O)O,
,,,MTE:C:1333,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SAL:C:1335,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,3B9J,,,,,,,
,,,18878_18879_18880_18881_:C:1334,invalid,,,,,,
,,,18978_18979_18980_18981_ 290:K:1334,invalid,,,,,,
,,,290:C:1335,valid,,,,,CC1=NC(=O)Nc2c1nc[nH]2,
,,,CA:C:1,invalid,,,,,[Ca+2],
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MTE:C:1333,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:K:1333,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
2.1.1.66,,,,,,,,,
,Family. Representative Entry is ,3GYQ,,,,,,,
,,,SAM:A:270,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:270,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
4.1.2.38,,,,,,,,,
,Family. Representative Entry is ,2UZ1,,,,,,,
,,,MPD:B:1559,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1560,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:1559,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TPP:A:1556,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:1557,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:1556,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,3IAE,,,,,,,
,,,CA:A:572,Part of Protein,,,,,[Ca+2],
,,,CA:B:572,Part of Protein,,,,,[Ca+2],
,,,D7K:A:571,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,D7K:B:571,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3D7K,,,,,,,
,,,CA:A:571,Part of Protein,,,,,[Ca+2],
,,,CA:B:571,Part of Protein,,,,,[Ca+2],
,,,D7K:A:572,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,D7K:B:572,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](c3ccccc3)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
4.2.3.12,,,,,,,,,
,Family. Representative Entry is ,2A0S,,,,,,,
,,,BIO:A:282,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,BIO:B:382,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:281,Part of Protein,,,,,[Zn+2],
,,,ZN:B:381,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1Y13,,,,,,,
,,,BIO:A:175,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,BIO:B:175,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,BIO:C:175,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:174,Part of Protein,,,,,[Zn+2],
,,,ZN:B:174,Part of Protein,,,,,[Zn+2],
,,,ZN:C:174,Part of Protein,,,,,[Zn+2],
3.1.2.-,,,,,,,,,
,Family. Representative Entry is ,4K4D,,,,,,,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,HFQ:B:201,valid,Ki,=,5.9,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,,HFQ:A:201,valid,Ki,=,5.9,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O,
,,,MLI:A:202,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4K4C,,,,,,,
,,,0FQ:D:201,valid,Ki,=,65,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:A:201,valid,Ki,=,65,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:B:201,valid,Ki,=,65,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,,,0FQ:C:201,valid,Ki,=,65,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccccc4)O,
,Family. Representative Entry is ,2CYE,,,,,,,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:604,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:602,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3BJK,,,,,,,
,,,CIT:A:1,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:155,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:155,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:156,invalid,,,,,C(CO)O,
,,,EDO:A:157,invalid,,,,,C(CO)O,
,,,EDO:A:158,invalid,,,,,C(CO)O,
,,,EDO:A:159,invalid,,,,,C(CO)O,
,,,EDO:A:160,invalid,,,,,C(CO)O,
,,,EDO:A:161,invalid,,,,,C(CO)O,
,,,EDO:B:155,invalid,,,,,C(CO)O,
,,,EDO:B:156,invalid,,,,,C(CO)O,
,,,EDO:B:157,invalid,,,,,C(CO)O,
,,,EDO:B:158,invalid,,,,,C(CO)O,
,,,EDO:C:155,invalid,,,,,C(CO)O,
,,,EDO:C:156,invalid,,,,,C(CO)O,
,,,EDO:C:157,invalid,,,,,C(CO)O,
,,,EDO:D:156,invalid,,,,,C(CO)O,
,,,EDO:D:157,invalid,,,,,C(CO)O,
,,,EDO:D:158,invalid,,,,,C(CO)O,
,,,EDO:D:159,invalid,,,,,C(CO)O,
,,,EDO:D:160,invalid,,,,,C(CO)O,
,,,EDO:D:161,invalid,,,,,C(CO)O,
,,,EDO:D:162,invalid,,,,,C(CO)O,
,,,EDO:E:155,invalid,,,,,C(CO)O,
,,,EDO:E:156,invalid,,,,,C(CO)O,
,,,EDO:E:157,invalid,,,,,C(CO)O,
,,,EDO:E:158,invalid,,,,,C(CO)O,
,,,EDO:F:155,invalid,,,,,C(CO)O,
,,1YLI,,,,,,,
,,,CA:A:155,invalid,,,,,[Ca+2],
,,,CA:A:156,invalid,,,,,[Ca+2],
,,,CA:B:1,invalid,,,,,[Ca+2],
,,,CA:B:155,invalid,,,,,[Ca+2],
,,,COA:A:157,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:156,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:B:157,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:158,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3WVC,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FEG:B:201,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,,ZGP:A:203,invalid,,,,,Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S,
,Family. Representative Entry is ,5SYN,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,71T:D:301,valid,Kd,=,240,nM,COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4,
,,,71T:A:301,valid,Kd,=,240,nM,COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4,
,,,71T:C:301,valid,Kd,=,240,nM,COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4,
,,,71T:B:301,valid,Kd,=,240,nM,COc1ccc(cc1)N2CCN(CC2)C(=O)c3cc4c(s3)-c5ccccc5S(=O)(=O)C4,
,Family. Representative Entry is ,1VPM,,,,,,,
,,,COA:A:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PO4:B:158,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5SYM,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,71Q:A:301,valid,Ki,=,280,nM,c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F,
,,,71Q:B:301,valid,Ki,=,280,nM,c1cc(oc1)C(=O)N2CCN(CC2)CC(=O)Nc3cc(ccc3Cl)C(F)(F)F,
3.4.22.2,,,,,,,,,
,Family. Representative Entry is ,1PIP,,,,,,,
,,,SIN GLN VAL VAL ALA ALA NIT:B:213,valid,Ki,<,10,uM,,
,,1BQI,,,,,,,
,,,SBA:A:300,valid,,,,,CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,
3.7.1.11,,,,,,,,,
,Family. Representative Entry is ,4D5G,,,,,,,
,,,PEG:B:1596,invalid,,,,,C(COCCO)O,
,,,PEG:A:1596,invalid,,,,,C(COCCO)O,
,,,PEG:A:1597,invalid,,,,,C(COCCO)O,
,,,TPP:A:1589,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1590,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,PG4:A:1599,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1595,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1594,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1598,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1593,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1594,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1597,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1595,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1591,invalid,,,,,C(COCCOCCOCCO)O,
,,,MG:A:1590,Part of Protein,,,,,[Mg+2],
,,,MG:B:1591,Part of Protein,,,,,[Mg+2],
,,,MG:A:1600,invalid,,,,,[Mg+2],
,,,2PE:B:1592,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:1593,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:B:1589,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1588,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,1PG:A:1592,invalid,,,,,COCCOCCOCCOCCOCCO,
,,4D5E,,,,,,,
,,,PG4:B:1601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1600,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1599,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1600,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1596,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1598,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1599,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1596,invalid,,,,,C(COCCOCCOCCO)O,
,,,2PE:B:1597,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:1598,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:1595,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,MG:B:1593,invalid,,,,,[Mg+2],
,,,MG:B:1594,Part of Protein,,,,,[Mg+2],
,,,MG:A:1592,Part of Protein,,,,,[Mg+2],
,,,MES:B:1591,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1590,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,TPP:A:1589,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1590,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,1PG:A:1594,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,P6G:A:1595,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1593,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,FAD:B:1589,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1588,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:1591,invalid,,,,,[Cl-],
,,,CL:B:1592,invalid,,,,,[Cl-],
,,,PEG:A:1597,invalid,,,,,C(COCCO)O,
2.4.1.218,,,,,,,,,
,Family. Representative Entry is ,2VCH,,,,,,,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,UDP:A:1477,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2VCE,,,,,,,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,TC7:A:1478,valid,,,,,c1c(c(cc(c1Cl)Cl)Cl)O,
,,,U2F:A:1477,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,2VG8,,,,,,,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1482,invalid,,,,,C(CO)O,
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1484,invalid,,,,,C(CO)O,
,,,EDO:A:1485,invalid,,,,,C(CO)O,
,,,EDO:A:1486,invalid,,,,,C(CO)O,
,,,EDO:A:1487,invalid,,,,,C(CO)O,
,,,TRS:A:1478,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UDP:A:1477,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
1.18.1.-,,,,,,,,,
,Family. Representative Entry is ,1Q1R,,,,,,,
,,,FAD:A:749,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:750,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2PIA,,,,,,,
,,,FES:A:323,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:A:322,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.7.7.1,,,,,,,,,
,Family. Representative Entry is ,4YP5,,,,,,,
,,,NAP:B:2000,valid,Ki,=,65,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:2000,valid,Ki,=,65,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2000,valid,Ki,=,65,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HYB,,,,,,,
,,,NMN:A:1340,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:1759,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M8G,,,,,,,
,,,NAD:A:1339,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4YP6,,,,,,,
,,,NAP:B:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1EJ2,,,,,,,
,,,NA:A:1000,invalid,,,,,[Na+],
,,,NAD:A:1339,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1759,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M8J,,,,,,,
,,,NAD:A:1339,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1759,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YP7,,,,,,,
,,,NAP:B:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1M8F,,,,,,,
,,,NAD:A:1339,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4ITR,,,,,,,
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:D:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:203,Part of Protein,,,,,[Mg+2],
,,,AMP:C:201,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:201,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6SIU,,,,,,,
,,,SO4:B:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,LJN:C:203,invalid,,,,,CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,LJN:D:203,invalid,,,,,CC(=O)NCc1cn(nn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2QJT,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:B:506,Part of Protein,,,,,[Mn+2],
,,,MN:B:507,Part of Protein,,,,,[Mn+2],
,,,MN:B:509,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1KQN,,,,,,,
,,,NAD:A:777,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:778,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:779,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:781,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:782,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,XE:A:748,invalid,,,,,[Xe],
,,,XE:A:749,invalid,,,,,[Xe],
,,,XE:A:750,invalid,,,,,[Xe],
,,,XE:B:751,invalid,,,,,[Xe],
,,,XE:B:752,invalid,,,,,[Xe],
,,,XE:B:755,invalid,,,,,[Xe],
,,,XE:B:760,invalid,,,,,[Xe],
,,,XE:C:753,invalid,,,,,[Xe],
,,,XE:C:754,invalid,,,,,[Xe],
,,,XE:C:759,invalid,,,,,[Xe],
,,,XE:D:761,invalid,,,,,[Xe],
,,,XE:D:762,invalid,,,,,[Xe],
,,,XE:E:757,invalid,,,,,[Xe],
,,,XE:E:758,invalid,,,,,[Xe],
,,,XE:F:756,invalid,,,,,[Xe],
,,1KR2,,,,,,,
,,,TAD:A:809,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:B:810,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:C:811,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:D:812,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:E:813,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:F:814,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,1KQO,,,,,,,
,,,DND:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
5.4.4.2,,,,,,,,,
,Family. Representative Entry is ,5JY4,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,ISC:B:402,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISC:A:402,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,Family. Representative Entry is ,5JXZ,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,ISC:B:402,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISC:A:402,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISJ:B:403,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,ISJ:A:403,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,5JZD,,,,,,,
,,,ISC:A:401,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISC:B:401,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,3HWO,,,,,,,
,,,ISC:A:1900,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISC:B:1800,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,MG:A:1702,Part of Protein,,,,,[Mg+2],
,,,MG:A:1703,Part of Protein,,,,,[Mg+2],
,,,MG:B:1701,Part of Protein,,,,,[Mg+2],
,,,MG:B:1704,Part of Protein,,,,,[Mg+2],
6.5.1.2,,,,,,,,,
,Family. Representative Entry is ,4LH7,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NMN:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,1X8:A:401,valid,ic50,=,34,uM,c1c2c(c(cnc2N)C(=O)N)sc1C(=O)N,
,,1TA8,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,NMN:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LH6,,,,,,,
,,,1X7:A:401,valid,ic50,=,77,uM,c1c2c(c(cnc2N)C(=O)N)sc1Br,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NMN:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4CC6,,,,,,,
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L5Y:A:1311,valid,ic50,=,0.23,uM,c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NCCO,
,,5FPO,,,,,,,
,,,10L:A:1310,valid,,,,,c1cc2cn[nH]c2c(c1)N,
,,,10L:A:1312,valid,,,,,c1cc2cn[nH]c2c(c1)N,
,,,10L:A:1311,valid,,,,,c1cc2cn[nH]c2c(c1)N,
,,5FPR,,,,,,,
,,,SO4:A:1311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LGA:A:1312,valid,,,,,c1cnc(nc1)N,
,,4CC5,,,,,,,
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L5V:A:1311,valid,Kd,=,38,uM,c1c(nc(cn1)Cl)c2nc[nH]n2,
,Family. Representative Entry is ,5TT5,,,,,,,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:703,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4GLW,,,,,,,
,,,0XT:A:402,valid,Kd,=,0.8,uM,Cc1c(nc2c(n1)c(nc(n2)N)N)OC,
,,,0XT:B:402,valid,Kd,=,0.8,uM,Cc1c(nc2c(n1)c(nc(n2)N)N)OC,
,,,NMN:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3PN1,,,,,,,
,,,IVH:A:319,valid,Ki,=,110,nM,CCCCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,IWH:A:320,invalid,,,,,Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N,
,,4UFZ,,,,,,,
,,,IA7:A:1318,valid,,,,,CC(C)(C)c1nc(c2c(c(c(nc2n1)N)C#N)N)c3nccs3,
,,,IWH:A:1319,valid,,,,,Cc1ccc(c(c1)C)CN2C=C(C=CC2=O)C(=O)N,
,,3UQ8,,,,,,,
,,,AMP:A:700,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NAD:A:1,valid,Kd,=,45,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.3.1.13,,,,,,,,,
,Family. Representative Entry is ,5T9F,,,,,,,
,,,TYR:B:302,valid,ic50,=,4.7,mM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:302,valid,ic50,=,4.7,mM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5WHX,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5T95,,,,,,,
,,,TYR:B:302,valid,ic50,=,5.9,mM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:A:302,valid,ic50,=,5.9,mM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5T9E,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.8.2.2,,,,,,,,,
,Family. Representative Entry is ,1J99,,,,,,,
,,,AND:A:401,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,
,,,HGI:A:301,invalid,,,,,I[Hg]I,
,,,HGI:A:302,invalid,,,,,I[Hg]I,
,,,HGI:A:303,invalid,,,,,I[Hg]I,
,,,IOD:A:300,invalid,,,,,[I-],
,,1EFH,,,,,,,
,,,A3P:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
1.13.11.15,,,,,,,,,
,Family. Representative Entry is ,2IGA,,,,,,,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CL:B:700,invalid,,,,,[Cl-],
,,,CL:C:700,invalid,,,,,[Cl-],
,,,CL:D:700,invalid,,,,,[Cl-],
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:B:500,Part of Protein,,,,,[Fe+2],
,,,FE2:C:500,Part of Protein,,,,,[Fe+2],
,,,FE2:D:500,Part of Protein,,,,,[Fe+2],
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:805,invalid,,,,,C(C(CO)O)O,
,,,OXY:C:600,invalid,,,,,O=O,
,,,XX2:C:601,valid,,,,,C1=CC(=O)[C](C=C1[N+](=O)[O-])O,
,,,XX3:B:600,valid,,,,,C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO,
,,,XX3:D:600,valid,,,,,C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO,
,,,XXP:A:600,valid,,,,,C(=C/C(=O)C(=O)O)/C(=CO)/[N+](=O)[O-],
,,4Z6V,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,4NC:C:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,4GHE,,,,,,,
,,,4NC:C:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4Z6S,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,4SX:C:402,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,,4SX:D:403,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,4GHF,,,,,,,
,,,4NC:A:402,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:C:402,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:D:402,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,OXY:C:405,invalid,,,,,O=O,
,,,OXY:D:404,invalid,,,,,O=O,
,,,P6G:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:405,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:403,invalid,,,,,C(COCCOCCOCCO)O,
,,3ECK,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:C:501,invalid,,,,,[Cl-],
,,,CL:D:501,invalid,,,,,[Cl-],
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
,,,FE2:B:500,Part of Protein,,,,,[Fe+2],
,,,FE2:C:500,Part of Protein,,,,,[Fe+2],
,,,FE2:D:500,Part of Protein,,,,,[Fe+2],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,XXG:C:502,valid,,,,,C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O,
,,,XXG:D:502,valid,,,,,C1=CC(=O)C(C=C1S(=O)(=O)O)(O)O,
,,5BWH,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DHY:D:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,4Z6U,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,4NC:C:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,4GHH,,,,,,,
,,,4NC:C:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:D:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,4Z6P,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,4Z6O,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,PG4:D:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DHY:D:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,3OJK,,,,,,,
,,,4NC:A:601,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:C:601,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:D:601,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,CA:B:366,Part of Protein,,,,,[Ca+2],
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CL:B:700,invalid,,,,,[Cl-],
,,,CL:C:700,invalid,,,,,[Cl-],
,,,CL:D:700,invalid,,,,,[Cl-],
,,,CO:A:500,Part of Protein,,,,,[Co+2],
,,,CO:B:500,Part of Protein,,,,,[Co+2],
,,,CO:C:500,Part of Protein,,,,,[Co+2],
,,,CO:D:500,Part of Protein,,,,,[Co+2],
,,,P6G:A:366,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:368,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:369,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:367,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:367,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:367,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:366,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:366,invalid,,,,,C(COCCOCCOCCO)O,
,,4Z6Z,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,4SX:D:403,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,,4SX:C:403,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,MPO:B:406,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:404,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,PG4:D:405,invalid,,,,,C(COCCOCCOCCO)O,
,,4Z6W,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,4NC:B:406,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:A:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:C:403,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,4NC:D:404,valid,,,,,c1cc(c(cc1[N+](=O)[O-])O)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:D:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,4Z6R,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,PEG:C:405,invalid,,,,,C(COCCO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,4SX:C:403,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,4GHD,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:404,invalid,,,,,C(COCCOCCOCCO)O,
,,1Q0C,,,,,,,
,,,DHY:A:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:B:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:C:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:D:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FE:B:500,Part of Protein,,,,,[Fe+3],
,,,FE:C:500,Part of Protein,,,,,[Fe+3],
,,,FE:D:500,Part of Protein,,,,,[Fe+3],
,,4Z6T,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,PG4:D:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,4SX:C:403,valid,,,,,c1cc(c(cc1S(=O)(=O)O)O)O,
,,4Z6Q,,,,,,,
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DHY:D:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,4GHG,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,DHY:C:403,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:404,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1F1V,,,,,,,
,,,DHY:A:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,DHY:B:999,valid,,,,,c1cc(c(cc1CC(=O)O)O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
6.3.2.36,,,,,,,,,
,Family. Representative Entry is ,3WDM,,,,,,,
,,,ADN:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,3WDK,,,,,,,
,,,FLC:A:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PTJ:A:301,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PTJ:C:301,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PTJ:D:301,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PTJ:B:901,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,4MB2,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,3WDL,,,,,,,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
3.1.3.32,,,,,,,,,
,Family. Representative Entry is ,2W3O,,,,,,,
,,,CA:A:1108,Part of Protein,,,,,[Ca+2],
,,,CA:A:1109,Part of Protein,,,,,[Ca+2],
,,,CA:B:1109,Part of Protein,,,,,[Ca+2],
,,,CA:B:1110,Part of Protein,,,,,[Ca+2],
,,,CA:C:1008,Part of Protein,,,,,[Ca+2],
,,,CA:D:1008,Part of Protein,,,,,[Ca+2],
,,,TYR ALA GLY SEP TPO ASP GLU ASN:C:515,valid,Kd,=,0.19,uM,P(=O)(OC(C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C)COP(=O)([O-])[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)N)CCC(=O)[O-])CC(=O)[O-])C)([O-])[O-],
,,,TYR ALA GLY SEP TPO ASP GLU ASN:D:515,valid,Kd,=,0.19,uM,P(=O)(OC(C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C)COP(=O)([O-])[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)N)CCC(=O)[O-])CC(=O)[O-])C)([O-])[O-],
3.2.2.10,,,,,,,,,
,Family. Representative Entry is ,4O08,,,,,,,
,,,PO6:A:303,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,,PO6:A:301,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,,PO6:B:302,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,,PO6:B:301,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,,PO6:A:302,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.2.12,,,,,,,,,
,Family. Representative Entry is ,4O12,,,,,,,
,,,2QG:B:601,valid,ic50,=,0.002,uM,c1cc(ccc1OCCCCCC/N=C(NC#N)/Nc2ccncc2)Cl,
,,,2QG:A:601,valid,ic50,=,0.002,uM,c1cc(ccc1OCCCCCC/N=C(NC#N)/Nc2ccncc2)Cl,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4O0Z,,,,,,,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2RM:A:601,valid,ic50,=,0.057,uM,c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F,
,,,2RM:B:601,valid,ic50,=,0.057,uM,c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F,
,,5KIT,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,6TA:A:501,valid,ic50,=,0.013,uM,CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3,
,,,6TA:B:501,valid,ic50,=,0.013,uM,CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2CNC(=O)N3Cc4ccncc4C3,
,,3DKJ,,,,,,,
,,,PRP:A:501,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:501,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,UNU:A:502,valid,,,,,c1ccc(cc1)C(=O)N,
,,,UNU:B:502,valid,,,,,c1ccc(cc1)C(=O)N,
,,4L4L,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,1XC:B:601,valid,,,,,c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F,
,,,1XC:A:601,valid,,,,,c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2GVG,,,,,,,
,,,NMN:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:C:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:D:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:E:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:F:506,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:610,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:611,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:612,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4LVB,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,20N:B:601,valid,,,,,CC(=O)Nc1ccc(cc1)NC(=O)C2CC2,
,,,20N:A:601,valid,,,,,CC(=O)Nc1ccc(cc1)NC(=O)C2CC2,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4N9D,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2HJ:A:601,valid,ic50,=,0.019,uM,CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3,
,,,2HJ:B:601,valid,ic50,=,0.019,uM,CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3,
,,4M6P,,,,,,,
,,,20R:A:601,valid,ic50,=,0.054,uM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3,
,,,20R:B:601,valid,ic50,=,0.054,uM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4LVG,,,,,,,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,20O:A:601,valid,,,,,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4,
,,,20O:B:601,valid,,,,,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)[C@H]3C[C@@H]3c4cccnc4,
,,4O10,,,,,,,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2QF:A:601,valid,ic50,=,0.078,uM,c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F,
,,,2QF:B:601,valid,ic50,=,0.078,uM,c1cc2cc(ccn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F,
,,4O28,,,,,,,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1QS:A:601,valid,ic50,=,0.029,uM,c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,,1QS:B:601,valid,ic50,=,0.029,uM,c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,4LV9,,,,,,,
,,,20J:B:602,valid,,,,,CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,20J:A:602,valid,,,,,CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,20J:B:601,valid,,,,,CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,20J:A:601,valid,,,,,CC1=Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,3DKL,,,,,,,
,,,BEF:A:505,invalid,,,,,[Be-](F)(F)F,
,,,BEF:B:506,invalid,,,,,[Be-](F)(F)F,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG  PRP:A:501,invalid,,,,,,
,,,PRP:B:503,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,UNU:A:504,valid,,,,,c1ccc(cc1)C(=O)N,
,,,UNU:B:505,valid,,,,,c1ccc(cc1)C(=O)N,
,,4LVD,,,,,,,
,,,1EB:A:603,valid,,,,,c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-],
,,,1EB:B:603,valid,,,,,c1cc(ccc1NC(=O)C2CC2)[N+](=O)[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,2H3D,,,,,,,
,,,NMN:A:3819,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:4819,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,4O1B,,,,,,,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DGB:B:601,valid,ic50,=,0.385,uM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
,,,DGB:A:601,valid,ic50,=,0.385,uM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
,,5NSD,,,,,,,
,,,96Q:A:511,valid,,,,,c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F,
,,,96Q:B:507,valid,,,,,c1cc(ccc1c2cc3cc(oc3c(c2)c4ccc(cc4)F)CNC(=O)/C=C/c5ccc(nc5)N)C(=O)N6CCC(CC6)(F)F,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,4O13,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,2P1:B:601,valid,ic50,=,0.015,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F,
,,,2P1:A:601,valid,ic50,=,0.015,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JR5,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,1LS:A:601,valid,ic50,=,0.007,uM,c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3,
,,,1LS:B:601,valid,ic50,=,0.007,uM,c1cc(cnc1)CNC(=S)Nc2ccc(cc2)S(=O)(=O)N3CCCCC3,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DGR,,,,,,,
,,,A12:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,2E5C,,,,,,,
,,,PRP:A:902,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:901,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,4LTS,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LTS:B:601,valid,ic50,=,4.4,nM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=NC#N)/Nc3ccncc3)OC(F)(F)F,
,,,LTS:A:601,valid,ic50,=,4.4,nM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CN/C(=NC#N)/Nc3ccncc3)OC(F)(F)F,
,,5U2N,,,,,,,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7TA:A:504,valid,,,,,CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3,
,,,7TA:B:504,valid,,,,,CC(C)C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccncc4c3,
,,4JNM,,,,,,,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1LJ:A:601,valid,ic50,=,3,nM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N,
,,,1LJ:B:601,valid,ic50,=,3,nM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)NC(=O)NCc3ccc(nc3)N,
,,4N9C,,,,,,,
,,,2ZM:B:601,valid,Kd,=,126,uM,c1cc2c(cc1[N+](=O)[O-])nc[nH]2,
,,,2ZM:A:601,valid,Kd,=,126,uM,c1cc2c(cc1[N+](=O)[O-])nc[nH]2,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KFO,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,1QS:A:601,valid,,,,,c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,,1QS:B:601,valid,,,,,c1cc(ccc1CNC(=O)c2ccc3nccn3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4L4M,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1XD:B:601,valid,ic50,=,0.01,uM,c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,,1XD:A:601,valid,ic50,=,0.01,uM,c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F,
,,3DHD,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NMN:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,POP:A:504,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:504,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4M6Q,,,,,,,
,,,POP:B:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,20T:B:601,valid,ic50,=,0.0061,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F,
,,,20T:A:601,valid,ic50,=,0.0061,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnn(c4nc3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(F)(F)F,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KFN,,,,,,,
,,,1QR:B:601,valid,,,,,c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4,
,,,1QR:A:601,valid,,,,,c1cc(ccc1CNC(=O)c2cc3cnccc3[nH]2)S(=O)(=O)N4CCCCC4,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2E5D,,,,,,,
,,,NCA:A:1501,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1502,valid,,,,,c1cc(cnc1)C(=O)N,
,,4WQ6,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,3TQ:B:601,valid,ic50,=,0.026,uM,CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3,
,,,3TQ:A:601,valid,ic50,=,0.026,uM,CC(C)CN1CCC(CC1)S(=O)c2ccc(cc2)CNC(=O)c3cc4ccncc4o3,
,,4O15,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,2P1:B:601,valid,ic50,=,0.095,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F,
,,,2P1:A:601,valid,ic50,=,0.095,uM,c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4c[nH]nc4nc3)C(F)(F)F,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4O1D,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:610,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:611,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DGB:B:601,valid,ic50,=,0.024,uM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
,,,DGB:A:601,valid,ic50,=,0.024,uM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
,,5UPF,,,,,,,
,,,8HV:A:901,valid,Ki,=,2.5,nM,CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O,
,,,8HV:B:501,valid,Ki,=,2.5,nM,CC(C)(C(=O)N1CCC(CC1)c2ccc(cc2)NC(=O)n3cc4ccc(cc4c3)F)O,
,,4LVF,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,20P:A:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3,
,,,20P:B:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3ccncc3,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4LWW,,,,,,,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LWW:B:601,valid,ic50,=,29,nM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3,
,,,LWW:A:601,valid,ic50,=,29,nM,c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4cnccc4[nH]3,
,,5UPE,,,,,,,
,,,8HY:A:901,valid,Ki,=,9,nM,c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3,
,,,8HY:B:501,valid,Ki,=,9,nM,c1ccc(cc1)CCCNC(=O)c2ccc(cc2)NC(=O)n3cc4ccccc4c3,
,,3DHF,,,,,,,
,,,BEF:A:505,invalid,,,,,[Be-](F)(F)F,
,,,BEF:B:505,invalid,,,,,[Be-](F)(F)F,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NMN:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,POP:A:504,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:504,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4LVA,,,,,,,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4 EDO:A:604,invalid,,,,,,
,,,PO4 EDO:B:604,invalid,,,,,,
,,,20M:B:601,valid,,,,,c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5,
,,,20M:A:601,valid,,,,,c1cc(ccc1CNC2=Nc3ccncc3S(=O)(=O)N2)S(=O)(=O)N4CCC(CC4)N5CCCC5,
,,4O16,,,,,,,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,1XC:A:601,valid,,,,,c1cc(ccc1CNC(=O)c2ccc3n(c2)cc[n+]3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)S(=O)(=O)c5cc(cc(c5)F)F,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6PEB,,,,,,,
,,,OE4:C:601,valid,ic50,=,2.7,nM,c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5,
,,,OE4:B:601,valid,ic50,=,2.7,nM,c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5,
,,,OE4:A:601,valid,ic50,=,2.7,nM,c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(cc3)NC(=O)N4CC(C4)c5cccnc5,
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5WI0,,,,,,,
,,,AQ1:B:501,valid,ic50,=,360,uM,CCCC1=CC(=O)NC(=N1)Nc2ccccc2F,
,,,AQ1:A:901,valid,ic50,=,360,uM,CCCC1=CC(=O)NC(=N1)Nc2ccccc2F,
,,4N9E,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,DTT:A:616,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:615,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2HL:B:601,valid,ic50,=,0.015,uM,c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5,
,,,2HL:A:601,valid,ic50,=,0.015,uM,c1ccc(cc1)C(=O)N2CCC(CC2)Cn3cnc4c3ccc(c4)C(=O)Nc5cccnc5,
,,5U2M,,,,,,,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7T7:A:901,valid,,,,,c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4,
,,,7T7:B:501,valid,,,,,c1ccc2c(c1)CN(C2)C(=O)Nc3ccc(cc3)C(=O)NC[C@@H]4CCOC4,
,,5WI1,,,,,,,
,,,AOY:B:501,valid,ic50,=,10,uM,c1ccc(cc1)N/C=C/2CCCOC2=O,
,,,AOY:A:901,valid,ic50,=,10,uM,c1ccc(cc1)N/C=C/2CCCOC2=O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KFP,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1R7:A:601,valid,ic50,=,0.01,uM,c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5,
,,,1R7:B:601,valid,ic50,=,0.01,uM,c1cc(ccc1CNC(=O)n2cc3ccncc3c2)S(=O)(=O)C4CCN(CC4)C5CCOCC5,
,Family. Representative Entry is ,2GVJ,,,,,,,
,,,DGB:A:502,valid,Ki,=,0.3,nM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
,,,DGB:B:501,valid,Ki,=,0.3,nM,c1ccc(cc1)C(=O)N2CCC(CC2)CCCCNC(=O)/C=C/c3cccnc3,
4.2.1.93,,,,,,,,,
,Family. Representative Entry is ,3RS8,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,APR:A:493,valid,Kd,=,5.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:A:494,valid,Kd,=,5.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:A:495,valid,Kd,=,5.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,GOL:A:496,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RT9,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,COA:A:492,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:493,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:494,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:495,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RTG,,,,,,,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,ATP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:493,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:495,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:496,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RRF,,,,,,,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,ATP:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:495,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RTB,,,,,,,
,,,A3P:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GOL:A:493,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RTE,,,,,,,
,,,ATP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,,NAP:A:493,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:495,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PRO ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,3RTC,,,,,,,
,,,ALA PRO ALA TRP LEU PHE GLU ALA:B:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,ATP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,,NAD:A:493,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:495,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3RSG,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,APR:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,MG:A:492,invalid,,,,,[Mg+2],
,,,NAD:A:493,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:495,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3RSF,,,,,,,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,B4P:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RT7,,,,,,,
,,,ADQ:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ADQ:A:495,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GOL:A:496,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RRJ,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,AP5:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,GOL:A:493,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RS9,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,BA3:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,BA3:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,GOL:A:495,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RSS,,,,,,,
,,,ALA PRO ALA TRP LEU PHE GLU ALA:B:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,NAP:A:492,valid,Kd,=,6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3RTA,,,,,,,
,,,ACO:A:492,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:493,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RRB,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,AMP:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:A:491,Part of Protein,,,,,[K+],
,,3RSQ,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,NAI:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAX:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N,
,,3RU2,,,,,,,
,,,ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,NDP:A:492,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NPW:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3RRE,,,,,,,
,,,ADP:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:495,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,GOL:A:496,invalid,,,,,C(C(CO)O)O,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,3RTD,,,,,,,
,,,ADP:A:494,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALA ALA TRP LEU PHE GLU ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1c2c([nH]c1)cccc2)CC(C)C,
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:492,invalid,,,,,[Mg+2],
,,,NAI:A:493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAX:A:495,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N,
1.1.1.88,,,,,,,,,
,Family. Representative Entry is ,6DIO,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:C:513,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:C:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6EEV,,,,,,,
,,,MEV:A:501,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:B:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6P7K,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,COA:A:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4I4B,,,,,,,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,1CO:B:1002,invalid,,,,,C[C@@](CCS)(CC(=O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1CV:A:501,valid,,,,,C[C@@](C[C@H](S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O)O,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1R31,,,,,,,
,,,COA:A:1002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MEV:A:1003,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,MEV:B:1004,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I6A,,,,,,,
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HMG:A:501,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,4I6W,,,,,,,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1CO:B:1001,valid,,,,,C[C@@](CCS)(CC(=O)O)O,
,,,1CO:A:501,valid,,,,,C[C@@](CCS)(CC(=O)O)O,
,,4I56,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1CZ:A:501,valid,,,,,C[C@](CC(=O)O)(CC(=S)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,4I6Y,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MEV:A:501,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,MEV:B:1001,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,NO2:B:1007,invalid,,,,,N(=O)[O-],
3.4.21.4,,,,,,,,,
,Family. Representative Entry is ,1XUJ,,,,,,,
,,,BOZ:A:246,valid,Ki,<,1,nM,c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=O)Nc5c4ccc(c5)C(N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2V,,,,,,,
,,,BEN:T:1,valid,Ki,=,427,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZDN,,,,,,,
,,,49U:A:501,valid,,,,,[H]/N=C(c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCC3)/N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,2ZQ1,,,,,,,
,,,11U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TNH,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,FBA:A:900,valid,Ki,=,0.43,mM,c1cc(ccc1C[NH3+])F,
,,2BYA,,,,,,,
,,,BAM:X:1246,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:1250,Part of Protein,,,,,[Ca+2],
,,,GOL:X:1247,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:1248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SV0,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1Y5A,,,,,,,
,,,CA:T:1,Part of Protein,,,,,[Ca+2],
,,,GOL:T:1989,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:1990,invalid,,,,,C(C(CO)O)O,
,,,IMD:T:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:T:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:T:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TL2:T:790,valid,Ki,=,1.33,uM,[H]/N=C(c1ccc(cc1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4cccc(c4)C(=N)N)/N,
,,5MNG,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BAM:A:306,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,6SW0,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,2AYW,,,,,,,
,,,BEN:A:801,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:250,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,MES:A:901,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ONO:A:501,valid,,,,,CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC,
,,,ONO:A:601,valid,,,,,CC(C)(C)[C@@H](C=O)NC(=O)c1ccc(c(c1)C(=O)O)c2ccc(nc2C(=O)Nc3ccc(cc3)C(N)N)OC,
,,6SV9,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,6SVR,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1Y3Y,,,,,,,
,,,CA:A:3333,Part of Protein,,,,,[Ca+2],
,,,UIR:A:2222,valid,Ki,=,2300,nM,c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N,
,,3PTB,,,,,,,
,,,BEN:A:1,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,5FXL,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1O2I,,,,,,,
,,,655:A:246,valid,Ki,=,0.052,uM,c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GI6,,,,,,,
,,,124:A:246,valid,Ki,=,1.7,uM,c1ccc(c(c1)c2cc3cc(ccc3[nH]2)C(=[NH2+])N)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MON,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2AP:A:302,valid,Kd,=,3.3,mM,c1cc[nH+]c(c1)N,
,,1O3D,,,,,,,
,,,780:A:246,valid,Ki,=,0.074,uM,c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,5F6M,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1Y59,,,,,,,
,,,CA:T:2900,Part of Protein,,,,,[Ca+2],
,,,GOL:T:1989,invalid,,,,,C(C(CO)O)O,
,,,IMD:T:5,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:T:8,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:T:9,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:T:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TL1:T:350,valid,Ki,=,1.19,uM,c1cc(cc(c1)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3Oc4cccc(c4)C(=N)N)C(=N)N,
,,1O39,,,,,,,
,,,780:A:246,valid,Ki,=,0.074,uM,c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1QL7,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEN:A:999,valid,Kd,=,15,uM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5,
,,2ZDM,,,,,,,
,,,46U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,3NK8,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,JKZ:A:1,valid,,,,,C1CC2=C(C1)NC(=O)C=C2C(F)(F)F,
,,1C2I,,,,,,,
,,,BAK:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:299,invalid,,,,,[Cl-],
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,1C2E,,,,,,,
,,,BAK:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,1G3C,,,,,,,
,,,109 FE 109:A:602,valid,Ki,=,1.6,uM,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YP9,,,,,,,
,,,CA:A:3333,Part of Protein,,,,,[Ca+2],
,,,GOL:A:4444,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4445,invalid,,,,,C(C(CO)O)O,
,,,UIZ:A:2222,valid,Ki,=,7700,nM,[H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5)OCO6)Cc7ccccc7)N,
,,6B6T,,,,,,,
,,,MOH:A:320,invalid,,,,,CO,
,,,MOH:A:314,invalid,,,,,CO,
,,,MOH:A:324,invalid,,,,,CO,
,,,MOH:A:322,invalid,,,,,CO,
,,,MOH:A:313,invalid,,,,,CO,
,,,MOH:A:305,invalid,,,,,CO,
,,,MOH:A:307,invalid,,,,,CO,
,,,MOH:A:318,invalid,,,,,CO,
,,,MOH:A:315,invalid,,,,,CO,
,,,MOH:A:309,invalid,,,,,CO,
,,,MOH:A:310,invalid,,,,,CO,
,,,MOH:A:323,invalid,,,,,CO,
,,,MOH:A:319,invalid,,,,,CO,
,,,MOH:A:311,invalid,,,,,CO,
,,,MOH:A:321,invalid,,,,,CO,
,,,MOH:A:317,invalid,,,,,CO,
,,,MOH:A:316,invalid,,,,,CO,
,,,MOH:A:308,invalid,,,,,CO,
,,,MOH:A:306,invalid,,,,,CO,
,,,MOH:A:312,invalid,,,,,CO,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2L,,,,,,,
,,,BEN:T:1,valid,Ki,=,51,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Y3X,,,,,,,
,,,CA:A:3394,Part of Protein,,,,,[Ca+2],
,,,UIB:A:1994,valid,Ki,=,7315,nM,CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5,
,,1OYQ,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,SO4:A:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T87:A:1,valid,Ki,=,110,nM,[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=NOCC(=O)OCC)/c5ccccn5)N,
,,6SY3,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,LXW:A:303,valid,Ki,=,497,uM,c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N,
,,1XUG,,,,,,,
,,,BAB:A:246,valid,Ki,=,0.09,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,3AAU,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,GZC CU:A:3001,valid,Ki,=,9,uM,Oc1c(C=NCC=NCc2c(O)ccc([NH+]=C(N)N)c2)cc(NC(=[NH2+])N)cc1.[Cu+2],
,,1C5S,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,ESX:A:246,valid,Ki,=,1,uM,c1ccc2c(c1)cc(s2)C(=[NH2+])N,
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2N,,,,,,,
,,,BBA:T:1,valid,Ki,=,1.25,uM,c1cc(ccc1C[C@@H]2CCCC[C@H](C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,1XUH,,,,,,,
,,,BAO:A:369,valid,,,,,c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CO:A:246,Part of Protein,,,,,[Co+2],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2G8T,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MI2:A:401,valid,,,,,[H]/N=C(c1ccc2c(c1)cc([nH]2)c3ccccc3C)/N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BY8,,,,,,,
,,,BAM:X:4222,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:4226,Part of Protein,,,,,[Ca+2],
,,,GOL:X:4223,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:4224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:4225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MN1,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2AP:A:306,valid,Kd,=,3.3,mM,c1cc[nH+]c(c1)N,
,,1XUK,,,,,,,
,,,BAB:A:246,valid,Ki,=,19,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2J,,,,,,,
,,,BEN:T:1,valid,Ki,=,566,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EG4,,,,,,,
,,,5N7:A:504,valid,Ki,=,21,nM,[H]/N=C(c1ccc(cc1)CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](C(=O)N2)NS(=O)(=O)NC6CCCCC6)CC4)/N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6SVJ,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1K1N,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,CCR:A:999,valid,Kd,=,153,nM,Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC,
,,1V2M,,,,,,,
,,,BEN:T:1,valid,Ki,=,51,uM,[H]/N=C(c1ccccc1)/N,
,,,SO4:T:1600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C1T,,,,,,,
,,,BAB:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1G3E,,,,,,,
,,,109:A:601,valid,Ki,=,4.2,uM,C[C@@H](C(=O)O)NCc1ccc(cc1O)C(=N)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CU:A:501,invalid,,,,,[Cu+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FX6,,,,,,,
,,,270:A:246,valid,Ki,=,200,uM,C1=CC2=NC(N=C2C=C1)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,2ZQ2,,,,,,,
,,,13U:A:501,valid,Kd,=,276,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,1MTW,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,DX9:A:999,valid,,,,,[H]/N=C(C)/N1CC[C@@H](C1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)/C(=N/[H])/N)C(=O)O,
,,1QA0,,,,,,,
,,,270:A:300,valid,,,,,C1=CC2=NC(N=C2C=C1)N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,1F0T,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,PR1:A:304,valid,Ki,=,1000,nM,c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3E,,,,,,,
,,,696:A:246,valid,Ki,=,0.011,uM,c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1AZ8,,,,,,,
,,,IN4:A:1,valid,,,,,[H]/N=C(c1cccc(c1)[C@@H](CCc2ccc(cc2)C(=N)N)CC(=O)OC)/N,
,,1Y3W,,,,,,,
,,,CA:A:3394,Part of Protein,,,,,[Ca+2],
,,,UIP:A:1994,valid,Ki,=,1680,nM,CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N,
,,2BY9,,,,,,,
,,,BAM:X:4222,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:4226,Part of Protein,,,,,[Ca+2],
,,,GOL:X:4223,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:4224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:4225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QB6,,,,,,,
,,,623:A:300,valid,Ki,=,870,nM,[H]/N=C(/c1cccc(c1)Oc2c(c(c(c([nH+]2)Oc3cccc(c3)/C(=N/[H])/N)F)C)F)N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,K:A:302,Part of Protein,,,,,[K+],
,,1O3N,,,,,,,
,,,785:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,3GY3,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:247,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,PNT:A:246,valid,Kd,=,2.36,uM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,3NKK,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,JLZ:A:1,valid,Kd,=,20,uM,[H]/N=C(/c1ccc(c(c1)F)C)N,
,,3GY4,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:246,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,PBZ:A:1,valid,Kd,=,8,uM,c1cc(ccc1C(=[NH2+])N)N,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TNL,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,TPA:A:900,valid,Ki,=,13.3,mM,c1ccc(cc1)[C@H]2C[C@@H]2[NH3+],
,,1C2K,,,,,,,
,,,ABI:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]cn2,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:250,invalid,,,,,[Cl-],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,1V2K,,,,,,,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEN:T:1,valid,Ki,=,0.65,uM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5,
,,1O3J,,,,,,,
,,,334:A:246,valid,Ki,=,0.17,uM,Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,2BZA,,,,,,,
,,,ABN:A:703,valid,Ki,=,1.58,mM,c1ccc(cc1)CN,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CL:A:2,invalid,,,,,[Cl-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZDK,,,,,,,
,,,50U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC3CCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,DMS:A:801,invalid,,,,,CS(=O)C,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MNQ,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J3I:A:307,valid,Kd,=,3.6,uM,[H]/N=C(N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N,
,,,DMS:A:309,invalid,,,,,CS(=O)C,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,1C5P,,,,,,,
,,,BAM:A:246,valid,Ki,=,21,uM,c1ccc(cc1)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1K1M,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,FD4:A:999,valid,Kd,=,40,nM,CC(=O)N1CCN(CC1)C(=O)[C@H](Cc2cccc(c2)C(=N)N)NS(=O)(=O)c3ccc4ccccc4c3,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B6R,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MRD:A:307,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:306,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1MTS,,,,,,,
,,,BX3:A:999,valid,,,,,CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,1UTO,,,,,,,
,,,CA:A:1248,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,PEA:A:1246,valid,Kd,=,5.32,mM,c1ccc(cc1)CC[NH3+],
,,3AAS,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CU:A:3001,Part of Protein,,,,,[Cu+2],
,,,GUS:A:1001,valid,Ki,=,31,uM,[H]/N=C(N)/Nc1ccc(c(c1)/C=N/[C@@H](C)C(=O)O)O,
,,1TNK,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,PRA:A:900,valid,Ki,=,32.5,mM,c1ccc(cc1)CCCN,
,,3GY7,,,,,,,
,,,BEN:A:1,valid,Kd,=,30,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:246,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O30,,,,,,,
,,,693:A:246,valid,Ki,=,0.17,uM,c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,2BY6,,,,,,,
,,,BAM:X:4222,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:4226,Part of Protein,,,,,[Ca+2],
,,,GOL:X:4223,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:4224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:4225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AGG,,,,,,,
,,,CA:X:501,Part of Protein,,,,,[Ca+2],
,,,SIN ALA ALA PRO LYS:A:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C=O)CCCC[NH3+])CCC1)C)C(NC=O)C,
,,,SO4:X:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6T5W,,,,,,,
,,,J5K:A:304,valid,Ki,=,47,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GY5,,,,,,,
,,,BRN:A:246,valid,Kd,=,1.8,uM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:247,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1S0R,,,,,,,
,,,BEN:A:225,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:224,Part of Protein,,,,,[Ca+2],
,,6B6N,,,,,,,
,,,MRD:A:304,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:305,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C5Q,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,ESI:A:246,valid,Ki,=,0.44,uM,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,3T25,,,,,,,
,,,BEN:A:251,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMO:A:261,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:262,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:266,invalid,,,,,C[N+](C)(C)[O-],
,,1GHZ,,,,,,,
,,,120:A:246,valid,Ki,=,16,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C5U,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,ESP:A:246,valid,,,,,c1cc2cc(sc2nc1)C(=[NH2+])N,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N6X,,,,,,,
,,,ABN:A:246,valid,,,,,c1ccc(cc1)CN,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GOL:A:253,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2V,,,,,,,
,,,847:A:246,valid,Ki,=,1.4,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1V2Q,,,,,,,
,,,ANH:T:800,valid,Ki,=,73.62,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:601,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SV8,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1TNG,,,,,,,
,,,AMC:A:900,valid,Ki,=,1.17,mM,C1CCC(CC1)C[NH3+],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,3T26,,,,,,,
,,,BEN:A:251,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,SAR:A:261,invalid,,,,,CNCC(=O)O,
,,,SAR:A:262,invalid,,,,,CNCC(=O)O,
,,6FID,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,5MNO,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,MRZ:A:304,valid,Kd,=,143,uM,[H]/N=C(N)/N1CCCCC1,
,,4YTA,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,BEN:A:312,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1GI4,,,,,,,
,,,122:A:246,valid,Ki,=,0.065,uM,c1ccc(c(c1)c2[nH]c3cc(ccc3n2)C(=[NH2+])N)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,1BTY,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1K1P,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,MEL:A:999,valid,,,,,c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N,
,,1V2T,,,,,,,
,,,ANH:T:800,valid,Ki,=,19.56,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3G,,,,,,,
,,,696:A:246,valid,Ki,=,0.011,uM,c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,2TIO,,,,,,,
,,,BEN:A:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,HEX:A:251,invalid,,,,,CCCCCC,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C2D,,,,,,,
,,,BAK:A:246,valid,Ki,=,0.0052,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,1C1R,,,,,,,
,,,BAI:A:246,valid,Ki,=,0.0235,uM,c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,1C2H,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,BAK:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,ZN A:411:0,Part of Protein,,,,,,
,,1O36,,,,,,,
,,,607:A:246,valid,Ki,=,1.1,uM,c1ccc(c(c1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,2BY7,,,,,,,
,,,BAM:X:4222,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:4226,Part of Protein,,,,,[Ca+2],
,,,GOL:X:4223,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:4224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:4225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GY8,,,,,,,
,,,BRN:A:1,valid,Kd,=,1.8,uM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:246,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,5T3H,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SEY:A:307,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:308,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:306,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:303,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:310,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:311,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:304,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:305,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:312,invalid,,,,,C(=[Se])(N)N,
,,,SEY:A:309,invalid,,,,,C(=[Se])(N)N,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ITI,,,,,,,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BRV:A:301,valid,ic50,=,0.27,uM,c1(c(c(c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,2ZFS,,,,,,,
,,,12U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,3GY6,,,,,,,
,,,BRN:A:1,valid,Kd,=,1.8,uM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,SO4:A:246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3L,,,,,,,
,,,678:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)cc([nH]2)c3cc(cc(c3[O-])Br)CC(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1BJU,,,,,,,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,DMS:A:300,invalid,,,,,CS(=O)C,
,,,GP6:A:910,valid,Ki,=,6.2,uM,[H]/N=C(c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TX7,,,,,,,
,,,4CM:A:247,valid,Ki,=,25,uM,C[P@](=O)(c1ccc(cc1)C(=N)N)O,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,6B6O,,,,,,,
,,,XYS:A:306,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,XYP:A:305,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,3M35,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,M35:A:301,valid,,,,,CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)NC(=O)c3cc(nn3c4cccc(c4)CN)C(F)(F)F,
,,1MTU,,,,,,,
,,,BX3:A:998,valid,,,,,CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,1O32,,,,,,,
,,,801:A:246,valid,Ki,=,1.8,uM,c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,3T27,,,,,,,
,,,BEN:A:251,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BET:A:261,invalid,,,,,C[N+](C)(C)CC(=O)O,
,,,BET:A:262,invalid,,,,,C[N+](C)(C)CC(=O)O,
,,,BET:A:263,invalid,,,,,C[N+](C)(C)CC(=O)O,
,,,BET:A:264,invalid,,,,,C[N+](C)(C)CC(=O)O,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LH4,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6W4:A:305,valid,,,,,c1ccc(cc1)C(CNC(=O)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)CN)n4cc(nn4)C5CC5)c6ccccc6,
,,1O2Q,,,,,,,
,,,991:A:246,valid,Ki,=,0.021,uM,c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1K1J,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,FD2:A:999,valid,Kd,=,28,nM,[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)C(=O)OC)NS(=O)(=O)c3ccc4ccccc4c3)N,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MNN,,,,,,,
,,,MRZ:A:302,valid,,,,,[H]/N=C(N)/N1CCCCC1,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,1C1S,,,,,,,
,,,BAB:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,NA:A:263,Part of Protein,,,,,[Na+],
,,,PO4:A:331,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:467,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:468,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1QBO,,,,,,,
,,,711:A:300,valid,Ki,=,18,nM,Cc1[nH]c2ccc(cc2[n+]1Cc3ccc4ccc(cc4c3)C(=N)N)OC5CCN(CC5)C(=N)C,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:455,Part of Protein,,,,,[Ca+2],
,,1V2R,,,,,,,
,,,ANH:T:800,valid,Ki,=,278.96,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:601,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C5R,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,ESI:A:246,valid,,,,,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,,FLC:A:467,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SVV,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1K1O,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,IGN:A:999,valid,,,,,C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O,
,,2ZFT,,,,,,,
,,,10U:A:501,valid,,,,,c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,DMS:A:801,invalid,,,,,CS(=O)C,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,1TIO,,,,,,,
,,,BAM:A:247,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:248,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,CHX:A:255,invalid,,,,,C1CCCCC1,
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2U,,,,,,,
,,,BEN:T:1,valid,Ki,=,427,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MTV,,,,,,,
,,,BX3:A:999,valid,,,,,CC(=N)N1CCC(CC1)Oc2ccc(cc2)[C@H](Cc3ccc4ccc(cc4c3)C(=N)N)C(=O)O,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,1Y5B,,,,,,,
,,,CA:T:3004,Part of Protein,,,,,[Ca+2],
,,,IMD:T:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:T:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TL3:T:720,valid,Kd,=,1.26,uM,c1cc(ccc1C(=N)N)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N,
,,1G36,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,R11:A:990,valid,Ki,=,67,nM,[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)N,
,,,SO4:A:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SVZ,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1O2L,,,,,,,
,,,762:A:246,valid,,,,,c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1TX8,,,,,,,
,,,AM4:A:302,valid,Ki,=,1800,uM,CS(=O)(=O)c1ccc(cc1)C(=N)N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,1GI1,,,,,,,
,,,BMZ:A:246,valid,Ki,=,3.6,uM,c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2W,,,,,,,
,,,ANH:T:800,valid,Ki,=,97.79,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SV6,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1O3H,,,,,,,
,,,907:A:246,valid,Ki,=,0.05,uM,Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,4NCY,,,,,,,
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,IMD:A:314,invalid,,,,,c1c[nH+]c[nH]1,
,,1O35,,,,,,,
,,,802:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PPC,,,,,,,
,,,CA:E:480,Part of Protein,,,,,[Ca+2],
,,,MID:E:5,valid,Ki,=,0.69,uM,[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)N,
,,1TNI,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,PBN:A:900,valid,Ki,=,0.1,mM,c1ccc(cc1)CCCCN,
,,6SVU,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1V2S,,,,,,,
,,,BEN:T:1,valid,Ki,=,68,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LQE,,,,,,,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,IMA:A:250,valid,Ki,=,1507,nM,C[N+](C)(C)c1ccc(cc1)CNC(=O)c2cc3cc(ccc3n2Cc4cccc(c4)C(=N)N)OCc5ccccc5,
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2S,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,CR4:A:246,valid,Ki,=,3.4,uM,c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,,1O3M,,,,,,,
,,,785:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,6E5M,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYS THR LYS SER ILE PRO PRO GLN CYS:I:1,valid,,,,,O=C(N)CCC1C(=O)NC(C(=O)[O-])CSSCC([NH3+])C(=O)NC(C(O)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CO)C(=O)NC(C(CC)C)C(=O)N2C(C(=O)N3C(C(=O)N1)CCC3)CCC2,
,,1O2X,,,,,,,
,,,847:A:246,valid,Ki,=,1.4,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1O38,,,,,,,
,,,653:A:246,valid,Ki,=,0.15,uM,c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1G3B,,,,,,,
,,,108:A:601,valid,Ki,=,1.8,uM,C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BJV,,,,,,,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,DMS:A:300,invalid,,,,,CS(=O)C,
,,,GP8:A:900,valid,Ki,=,13,uM,c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=N)N,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C1P,,,,,,,
,,,BAI:A:246,valid,,,,,c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C2J,,,,,,,
,,,BAK:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,1C2F,,,,,,,
,,,BAH:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,3LJJ,,,,,,,
,,,10U:A:501,valid,Kd,=,300,nM,c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3I,,,,,,,
,,,907:A:246,valid,Ki,=,0.05,uM,Cc1cc(c(c(c1)Br)[O-])c2cc3cc(ccc3[nH]2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1Y3V,,,,,,,
,,,CA:A:3394,Part of Protein,,,,,[Ca+2],
,,,UIR:A:1994,valid,Ki,=,2300,nM,c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N,
,,1UTP,,,,,,,
,,,CA:A:1248,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,PBN:A:1246,valid,Kd,=,36,mM,c1ccc(cc1)CCCCN,
,,2BLV,,,,,,,
,,,BEN:A:1247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1252,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SVG,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1TNJ,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,PEA:A:900,valid,Ki,=,11,mM,c1ccc(cc1)CC[NH3+],
,,3GY2,,,,,,,
,,,BRN:A:1,valid,Kd,=,1.8,uM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:246,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6T0M,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOZ:A:305,valid,Ki,=,39,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(nc(c3)N)N)N,
,,6B6S,,,,,,,
,,,EOH:A:306,invalid,,,,,CCO,
,,,EOH:A:310,invalid,,,,,CCO,
,,,EOH:A:316,invalid,,,,,CCO,
,,,EOH:A:315,invalid,,,,,CCO,
,,,EOH:A:308,invalid,,,,,CCO,
,,,EOH:A:311,invalid,,,,,CCO,
,,,EOH:A:309,invalid,,,,,CCO,
,,,EOH:A:312,invalid,,,,,CCO,
,,,EOH:A:314,invalid,,,,,CCO,
,,,EOH:A:307,invalid,,,,,CCO,
,,,EOH:A:313,invalid,,,,,CCO,
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2P,,,,,,,
,,,972:A:246,valid,,,,,CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)Cl,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1K1I,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,FD1:A:999,valid,Kd,=,264,nM,[H]/N=C(c1cccc(c1)C[C@@H](C(=O)N2CCCC[C@@H]2C(=O)O)NS(=O)(=O)c3ccc4ccccc4c3)/N,
,,1GJ6,,,,,,,
,,,132:A:246,valid,Ki,=,0.23,uM,c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,3LJO,,,,,,,
,,,11U:A:501,valid,Kd,=,239,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2Y,,,,,,,
,,,847:A:246,valid,Ki,=,1.4,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,6SVN,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1O31,,,,,,,
,,,801:A:246,valid,Ki,=,1.8,uM,c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,2BY5,,,,,,,
,,,BAM:X:4222,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:X:4226,Part of Protein,,,,,[Ca+2],
,,,GOL:X:4223,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:4224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:4225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XUI,,,,,,,
,,,BAO:A:246,valid,,,,,c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,NA:A:487,invalid,,,,,[Na+],
,,1C5T,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,ESP:A:246,valid,Ki,=,80,uM,c1cc2cc(sc2nc1)C(=[NH2+])N,
,,1EB2,,,,,,,
,,,BPO:A:1248,valid,Ki,=,16,nM,[H]/N=C(c1cccc(c1)C(=O)N[C@H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc4)/N,
,,,CA:A:1247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SVB,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1O2K,,,,,,,
,,,656:A:246,valid,Ki,=,0.12,uM,CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LGO,,,,,,,
,,,6VZ:A:303,valid,,,,,CNC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccc(c(c2)OC)CN)N3CCc4c(ncnc4OCCC5CC5)C3,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,1GI0,,,,,,,
,,,BMZ:A:246,valid,,,,,c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V2P,,,,,,,
,,,ANH:T:800,valid,Ki,=,18.45,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:700,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TPS,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,OSL DLE THR ARG GLU LEU YNM VAL:B:246,valid,ic50,=,10,nM,S(=O)(=O)(OCC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C=O)C(C)C)Cc1ccc(O)cc1)C)CC(C)C)CC[CH-][O-])CCCNC(=[NH2+])N)C(O)C)CC(C)C)[O-],
,,1N6Y,,,,,,,
,,,ABN:A:246,valid,,,,,c1ccc(cc1)CN,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GOL:A:253,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O34,,,,,,,
,,,801:A:246,valid,Ki,=,1.8,uM,c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,6SUX,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,2ZDL,,,,,,,
,,,45U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)COC3CCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PPH,,,,,,,
,,,0ZG:E:1,valid,Ki,=,1.2,uM,[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)N,
,,,CA:E:246,Part of Protein,,,,,[Ca+2],
,,,SO4:E:578,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2G5N,,,,,,,
,,,23M:A:301,valid,,,,,[H]/N=C(c1ccc2c(c1)cc([nH]2)c3cccc(c3)C)/N,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1G3D,,,,,,,
,,,108:A:601,valid,Ki,=,2.8,uM,C[C@@H](C(=O)O)NCc1cc(ccc1O)C(=N)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CU:A:501,invalid,,,,,[Cu+2],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MOO,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WOT:A:302,valid,Kd,=,48.5,mM,c1ccc(cc1)[NH3+],
,,1O2U,,,,,,,
,,,847:A:246,valid,Ki,=,1.4,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1O2R,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,CR9:A:246,valid,,,,,C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F,
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QK1,,,,,,,
,,,BEN:A:1010,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:1000,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1007,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SVX,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,5MNH,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BAM:A:304,valid,Kd,=,20.7,uM,c1ccc(cc1)C(=[NH2+])N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,6B6P,,,,,,,
,,,XYS:A:306,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,XYP:A:305,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,3T29,,,,,,,
,,,BEN:A:250,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,TMO:A:261,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:262,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:263,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:264,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:265,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:267,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:268,invalid,,,,,C[N+](C)(C)[O-],
,,6EAT,,,,,,,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CYS THR LYS SER ILE PRO PRO GLN CYS:I:1,valid,,,,,O=C(N)CCC1C(=O)NC(C(=O)[O-])CSSCC([NH3+])C(=O)NC(C(O)C)C(=O)NC(CCCC[NH3+])C(=O)NC(CO)C(=O)NC(C(CC)C)C(=O)N2C(C(=O)N3C(C(=O)N1)CCC3)CCC2,
,,1O2H,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CR3:A:246,valid,Ki,=,0.068,uM,c1cc(c(c(c1)OC2CCCC2)[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,1QB9,,,,,,,
,,,806:A:300,valid,Ki,=,36,nM,[H]/N=C(/C)N1CCC(CC1)Oc2ccc3c4ccccc4n(c3c2)Cc5ccc6ccc(cc6c5)C(=N)N,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,K:A:303,Part of Protein,,,,,[K+],
,,2BLW,,,,,,,
,,,BEN:A:1247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1252,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3B,,,,,,,
,,,780:A:246,valid,Ki,=,0.074,uM,c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1O2Z,,,,,,,
,,,312:A:246,valid,Ki,=,0.78,uM,COc1ccccc1c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1K1L,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,FD3:A:999,valid,Kd,=,125,nM,[H]/N=C(/c1cccc(c1)C[C@@H](C(=O)N2CCNCC2)NS(=O)(=O)c3ccc4ccccc4c3)N,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2O,,,,,,,
,,,950:A:246,valid,Ki,=,0.44,uM,CC(C)COc1cccc(c1[O-])c2[nH]c3cc(c(cc3n2)C(=[NH2+])N)F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C1Q,,,,,,,
,,,BAI:A:246,valid,,,,,c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SO4:A:468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1F0U,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,RPR:A:501,valid,Ki,=,69,nM,C[C@H]([C@@H](Cc1cccc(c1)C(=N)N)C(=O)OC)NC(=O)c2ccc(cc2)c3cccc(c3)CN,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C2G,,,,,,,
,,,BAH:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,DMS:A:333,invalid,,,,,CS(=O)C,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,1O37,,,,,,,
,,,653:A:246,valid,Ki,=,0.15,uM,c1ccc(cc1)c2cc(cc(c2[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N)CC[NH3+],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1O3F,,,,,,,
,,,696:A:246,valid,Ki,=,0.011,uM,c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1JIR,,,,,,,
,,,AML:A:301,valid,,,,,CCCCCN,
,,,AML:A:327,valid,,,,,CCCCCN,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2N,,,,,,,
,,,762:A:246,valid,Ki,=,0.81,uM,c1ccc(cc1)c2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)Cl,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O3O,,,,,,,
,,,785:A:246,valid,,,,,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(ccc3[O-])OC(F)(F)F,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1CE5,,,,,,,
,,,BEN:A:703,valid,Ki,=,18.4,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CL:A:2,invalid,,,,,[Cl-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MNB,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2AP:A:304,valid,Kd,=,3.3,mM,c1cc[nH+]c(c1)N,
,,6DZF,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYS:A:304,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,5LH8,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,6WH:A:304,valid,,,,,COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6,
,,2ZHD,,,,,,,
,,,12U:A:501,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCCC3)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O2J,,,,,,,
,,,656:A:246,valid,Ki,=,0.12,uM,CC(C)COc1cccc(c1[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AQ7,,,,,,,
,,,34H DIL XPR AG2:B:1,valid,ic50,=,0.9,uM,S(=O)(=O)(OC1CC2N(C(=O)C(NC(=O)C(O)CC3C=CC(=O)C=C3)C(CC)C)C(C(=O)NCCCC[NH+]=C(N)N)CC2CC1)[O-],
,,1O3K,,,,,,,
,,,334:A:246,valid,Ki,=,0.17,uM,Cc1cc(c(c(c1)Br)[O-])c2[nH]c3ccc(cc3n2)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,2G5V,,,,,,,
,,,22M:A:301,valid,,,,,[H]/N=C(c1ccc2cc([nH]c2c1)c3ccccc3C)/N,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,1Y5U,,,,,,,
,,,CA:T:9,Part of Protein,,,,,[Ca+2],
,,,GOL:T:2010,invalid,,,,,C(C(CO)O)O,
,,,IMD:T:12,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEG:T:501,invalid,,,,,C(COCCO)O,
,,,SO4:T:3022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:3023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TL4:T:360,valid,Kd,=,0.22,uM,c1cc(cc(c1)O[C@H]2CO[C@H]3[C@@H]2OC[C@H]3Oc4ccc(cc4)C(=N)N)C(=N)N,
,,6SVI,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1J8A,,,,,,,
,,,BEN:A:500,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:507,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6B6Q,,,,,,,
,,,XYS:A:306,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,XYP:A:305,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,1QB1,,,,,,,
,,,974:A:300,valid,Ki,=,170,nM,Cn1ccnc1c2cccc(c2)Oc3c(c(c(c([nH+]3)Oc4cc(ccc4O)C(=N)N)F)N5CCC[C@H](C5)C(=O)O)F,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,1O2W,,,,,,,
,,,847:A:246,valid,Ki,=,1.4,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)c3cc(cc(c3[O-])Br)[C@@H](CC(=O)[O-])C(=O)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1XUF,,,,,,,
,,,BAZ:A:246,valid,Ki,=,0.09,uM,[H]/N=C(c1ccc2c(c1)NC3=[N]2[Zn+2][N]4=C(C3)Nc5c4ccc(c5)C(=N)N)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1QBN,,,,,,,
,,,688:A:300,valid,Ki,=,1400,nM,c1cc(cc(c1)Oc2cc(cc(n2)Oc3cc(ccc3O)C(=N)N)C(=O)O)c4[nH]ccn4,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:455,Part of Protein,,,,,[Ca+2],
,,1O33,,,,,,,
,,,801:A:246,valid,Ki,=,1.8,uM,c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CL:A:260,invalid,,,,,[Cl-],
,,1V2O,,,,,,,
,,,ANH:T:800,valid,Ki,=,18.45,uM,Cc1ccc(cc1)S(=O)(=O)NCC(=O)N[C@@H](Cc2cccc(c2)C(=N)N)C(=O)OC,
,,,CA:T:601,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1C1N,,,,,,,
,,,BAM:A:246,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,1UTN,,,,,,,
,,,ABN:A:246,valid,Kd,=,0.321,mM,c1ccc(cc1)CN,
,,,ABN:A:247,valid,Kd,=,0.321,mM,c1ccc(cc1)CN,
,,,CA:A:6000,Part of Protein,,,,,[Ca+2],
,,,GOL:A:253,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:254,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:256,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6SVD,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,6T0P,,,,,,,
,,,M6Q:A:304,valid,Ki,=,62,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,6SVW,,,,,,,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,BEN:A:302,valid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,1UTJ,,,,,,,
,,,ABN:A:246,valid,Kd,=,0.144,mM,c1ccc(cc1)CN,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,1BIT,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:248,Part of Protein,,,,,[Ca+2],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HJ8,,,,,,,
,,,BAM:A:247,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:248,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UTL,,,,,,,
,,,CA:M:247,Part of Protein,,,,,[Ca+2],
,,,MPD:M:248,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PRA:M:246,valid,Ka,=,293,M^-1,c1ccc(cc1)CCCN,
,,2TBS,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,2ZPQ,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1002,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:B:3002,Part of Protein,,,,,[Ca+2],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UTM,,,,,,,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,PEA:A:246,valid,Ka,=,243,M^-1,c1ccc(cc1)CC[NH3+],
,,1MBQ,,,,,,,
,,,BEN:A:1222,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,2ZPS,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,2ZPR,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1002,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1QL9,,,,,,,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEN:A:999,valid,Ki,=,4.45,uM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5,
,,1ANE,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1J16,,,,,,,
,,,BEN:A:1,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:3,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:4,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J14,,,,,,,
,,,BEN:A:1,valid,Ki,=,32.2,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BRA,,,,,,,
,,,BEN:A:246,valid,Ki,=,15000,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,1J15,,,,,,,
,,,BEN:A:1,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:3,valid,Ki,=,143,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TRM,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,CA:B:247,Part of Protein,,,,,[Ca+2],
,,1J17,,,,,,,
,,,CA:T:480,Part of Protein,,,,,[Ca+2],
,,,SO4:T:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZEN:T:1,valid,Ki,=,6.05,uM,c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5ccncc5,
,,1ANC,,,,,,,
,,,BEN:A:290,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:384,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:289,Part of Protein,,,,,[Ca+2],
,,1DPO,,,,,,,
,,,BEN:A:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:248,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:249,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AND,,,,,,,
,,,BEN:A:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CU:A:246,Part of Protein,,,,,[Cu+2],
,Family. Representative Entry is ,1PQ7,,,,,,,
,,,ARG:A:703,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GDN,,,,,,,
,,,GLY ALA LYS:B:1,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C[NH3+])C,
,,,GOL:A:243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:246,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FY5,,,,,,,
,,,GLY ALA LYS:B:1,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C[NH3+])C,
,,,GOL:A:243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:246,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FY4,,,,,,,
,,,GLY ALA ARG:B:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])C,
,,,GOL:A:243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:246,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PQ8,,,,,,,
,,,CIT:A:601,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLY GLY ARG:C:1,valid,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FN8,,,,,,,
,,,GLY ALA ARG:B:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])C,
,,,GOL:A:243,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:246,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PQ5,,,,,,,
,,,ARG:A:703,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5TP0,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BRN:A:306,valid,Ki,=,3.66,uM,c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N,
,,1H4W,,,,,,,
,,,BEN:A:250,valid,Ki,=,22,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1OSS,,,,,,,
,,,BEN:A:246,valid,Ki,=,16.4,uM,[H]/N=C(c1ccccc1)/N,
,,,CA:A:249,Part of Protein,,,,,[Ca+2],
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BEU,,,,,,,
,,,BEN:A:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:7,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:8,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:247,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:249,Part of Protein,,,,,[Ca+2],
,,,CA:B:249,Part of Protein,,,,,[Ca+2],
,,,NA:A:248,Part of Protein,,,,,[Na+],
,,,NA:B:248,Part of Protein,,,,,[Na+],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1YF4,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2:B:1,valid,Ki,=,5,nM,O=C(NCC(=O)[NH3+])C(NC(=O)C1N(C(=O)C2NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(Cc3ccccc3)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C([NH3+])CSSC2)CCC1)CCCNC(=[NH2+])N,
,,5XWL,,,,,,,
,,,ACE THR ARG GLU:C:401,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C)C(O)C,
,,,ACE THR ARG GLU:D:401,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C)C(O)C,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5XWJ,,,,,,,
,,,ACE THR ARG GLU:C:401,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C)C(O)C,
,,,ACE THR ARG GLU:D:401,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C)C(O)C,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1V6D,,,,,,,
,,,ACT:A:390,invalid,,,,,CC(=O)[O-],
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,PRO ASP AIB LEU AIB LEU ALA TBF NME:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC)C)CC(C)C)(C)C)CC(C)C)C(NC(=O)C(NC(=O)C1N(C(OC(C)(C)C)=O)CCC1)CC(=O)[O-])(C)C,
,,1S6H,,,,,,,
,,,4BZ:A:1,valid,,,,,[H]/N=C(c1ccc(cc1)CO)/N,
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,MG:A:5,invalid,,,,,[Mg+2],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1S83,,,,,,,
,,,4HA:A:5,valid,,,,,C(CCO)C[NH3+],
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1S5S,,,,,,,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,PG3:A:1,valid,,,,,C(CNC(=[NH2+])N)CO,
,Family. Representative Entry is ,1A0J,,,,,,,
,,,BEN:A:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:D:246,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CA:A:247,Part of Protein,,,,,[Ca+2],
,,,SO4:A:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2TPI,,,,,,,
,,,ILE VAL:Z:1016,valid,Kd,=,49,uM,O=C([O-])C(NC(=O)C(N)C(CC)C)C(C)C,
,,4TPI,,,,,,,
,,,CA:Z:462,Part of Protein,,,,,[Ca+2],
,,,SO4:I:59,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:60,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAL VAL:Z:1016,valid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)C(C)C,
,,3TPI,,,,,,,
,,,CA:Z:462,Part of Protein,,,,,[Ca+2],
,,,ILE VAL:Z:1016,valid,,,,,O=C([O-])C(NC(=O)C(N)C(CC)C)C(C)C,
,,,SO4:I:59,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:60,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5XWA,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,ACE PRO ARG TYR:C:401,valid,,,,,,
,,5XW8,,,,,,,
,,,ACE PRO ARG ASN:C:401,valid,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5XW9,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,ACE PRO ARG TYR:C:401,valid,,,,,,
,,1UHB,,,,,,,
,,,ACT:P:390,invalid,,,,,CC(=O)[O-],
,,,CA:A:256,Part of Protein,,,,,[Ca+2],
,,,GLY LYS ASP SER CYS GLN GLY ASP SER:P:1,valid,,,,,,
1.3.3.1,,,,,,,,,
,Family. Representative Entry is ,1EP2,,,,,,,
,,,FAD:B:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:504,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:502,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,1EP3,,,,,,,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:503,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1EP1,,,,,,,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:503,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3C3N,,,,,,,
,,,FMN:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:316,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:316,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:317,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2E6D,,,,,,,
,,,FMN:A:1350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FUM:A:1352,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:2352,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1365,invalid,,,,,C(C(CO)O)O,
,,,NCO:A:1351,invalid,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,Family. Representative Entry is ,1OVD,,,,,,,
,,,FMN:A:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:495,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:491,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:494,invalid,,,,,C(C(CO)O)O,
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,,,MG:B:851,Part of Protein,,,,,[Mg+2],
,,,ORO:A:900,valid,Kd,=,7.6,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:901,valid,Kd,=,7.6,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,1JQX,,,,,,,
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,MG:A:314,Part of Protein,,,,,[Mg+2],
,,,MG:B:314,Part of Protein,,,,,[Mg+2],
,,,ORO:A:1313,valid,Kd,=,95,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:2313,valid,Kd,=,95,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,1JQV,,,,,,,
,,,ACY:A:1001,invalid,,,,,CC(=O)O,
,,,ACY:A:1004,invalid,,,,,CC(=O)O,
,,,ACY:B:1002,invalid,,,,,CC(=O)O,
,,,ACY:B:1003,invalid,,,,,CC(=O)O,
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:314,Part of Protein,,,,,[Mg+2],
,,,MG:B:314,Part of Protein,,,,,[Mg+2],
,,,ORO:A:1313,valid,Kd,=,117,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:2313,valid,Kd,=,117,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,2DOR,,,,,,,
,,,FMN:A:312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:313,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:313,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,1DOR,,,,,,,
,,,FMN:A:312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1JRB,,,,,,,
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1313,valid,Kd,=,1450,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:2313,valid,Kd,=,1450,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,1JUE,,,,,,,
,,,ACY:A:900,invalid,,,,,CC(=O)O,
,,,ACY:B:1900,invalid,,,,,CC(=O)O,
,,,FMN:A:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,,,MG:B:850,Part of Protein,,,,,[Mg+2],
,,1JRC,,,,,,,
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1313,valid,Kd,=,44,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:2313,valid,Kd,=,44,uM,C1=C(NC(=O)NC1=O)C(=O)O,
,,2BX7,,,,,,,
,,,34D:B:1313,valid,,,,,c1c(cc(cc1O)O)C(=O)O,
,,,ACT:A:1313,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1315,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1314,Part of Protein,,,,,[Mg+2],
,,,MG:B:1314,Part of Protein,,,,,[Mg+2],
,,2BSL,,,,,,,
,,,ACT:A:1313,invalid,,,,,CC(=O)[O-],
,,,DHB:B:1313,valid,Kd,=,8,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FMN:A:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1312,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1315,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1314,Part of Protein,,,,,[Mg+2],
,,,MG:B:1314,Part of Protein,,,,,[Mg+2],
,,1JUB,,,,,,,
,,,FMN:A:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,,,MG:B:850,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3MJY,,,,,,,
,,,FMN:A:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:316,invalid,,,,,C(C(CO)O)O,
,,,IJZ:A:314,valid,Ki,=,82.8,uM,C1(=C(NC(=O)NC1=O)C(=O)O)N,
,,,IJZ:B:314,valid,Ki,=,82.8,uM,C1(=C(NC(=O)NC1=O)C(=O)O)N,
,,,SO4:A:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EF8,,,,,,,
,,,0FI:A:402,invalid,,,,,c1ccc(cc1)NC=S,
,,,0FI:B:401,invalid,,,,,c1ccc(cc1)NC=S,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EF9,,,,,,,
,,,4NF:A:401,invalid,,,,,c1cc(ccc1NC=S)[N+](=O)[O-],
,,,4NF:B:401,invalid,,,,,c1cc(ccc1NC=S)[N+](=O)[O-],
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3MHU,,,,,,,
,,,EJZ:A:314,valid,Ki,=,212.93,uM,C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-],
,,,EJZ:B:314,valid,Ki,=,212.93,uM,C1(=C(NC(=O)NC1=O)C(=O)O)[N+](=O)[O-],
,,,FMN:A:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:315,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TQ0,,,,,,,
,,,FMN:A:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:313,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FUM:A:314,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:314,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:315,invalid,,,,,C(C(CO)O)O,
,,,NI:A:316,invalid,,,,,[Ni+2],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3OIX,,,,,,,
,,,FMN:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:500,invalid,,,,,C(C(CO)O)O,
5.3.99.3,,,,,,,,,
,Family. Representative Entry is ,4BPM,,,,,,,
,,,LVJ:A:1173,valid,Ki,=,2.4,nM,CC(C)(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl,
,,,GSH:A:1172,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5BQI,,,,,,,
,,,4UL:A:201,valid,ic50,=,0.9,nM,Cc1c(nc([nH]1)NC(=O)c2cc(cnc2C(F)F)CNC(=O)C(C)C)c3ccc(cc3)C(F)(F)F,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,1KA:A:206,invalid,,,,,C(COCC=O)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,4AL0,,,,,,,
,,,GSH:A:1153,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PLM:A:1155,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1154,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1156,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,BOG:A:1158,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1157,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4YL3,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,4U9:A:201,valid,ic50,=,3.94,uM,c1cc(c(c(c1)Cl)c2[nH]c(c(n2)Br)c3ccc(nc3)C#Cc4ccc(cc4)C(F)(F)F)F,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,5T36,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,755:A:201,valid,ic50,=,0.043,uM,CC(C)(C)C(=O)N[C@H]1CCC[C@H]1CNc2cc(ccc2C(=O)O)Cl,
,,5T37,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,758:A:201,valid,ic50,=,0.241,uM,CC(C)(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]ccn2)Cl,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:207,invalid,,,,,C(COCCOCCOCCO)O,
,,5K0I,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,6PW:A:201,valid,ic50,=,0.002,uM,Cc1cccc2c1nc(cc2)N3CC[C@@H](C(C3)(C)C)C(=O)N[C@H]4CCO[C@@H](C4)CO,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,5BQG,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PGE:A:205,invalid,,,,,C(COCCOCCO)O,
,,,JZR:A:203,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,4UJ:A:201,valid,ic50,=,17.4,uM,c1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3Cl,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,5TL9,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:A:207,invalid,,,,,C(COCCO)O,
,,,7DN:A:201,valid,ic50,=,1,nM,Cc1cccc2c1nc(cc2)N3CCC(CC3)C(=O)N[C@H]4CCC[C@H]4CCc5ccccc5C(=O)O,
,,,JZR:A:203,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,5BQH,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,4UK:A:201,valid,ic50,<,3,nM,CC(C)C(=O)NCc1ccc(c(c1)C(=O)Nc2[nH]cc(n2)c3ccc(cc3)Cl)C(F)F,
,,,1KA:A:206,invalid,,,,,C(COCC=O)O,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,4AL1,,,,,,,
,,,48T:A:1153,valid,,,,,c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,PLM:A:202,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,BOG:A:201,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YL0,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:203,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,4DZ:A:201,valid,ic50,=,1.59,uM,c1ccc2c(c1)c3cc(ccc3c4c2nc([nH]4)c5c(cccc5C#N)C#N)Cl,
,,,PG4:A:205,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,6VL4,,,,,,,
,,,QY1:A:201,valid,,,,,c1ccc2c(c1)ccc(n2)COc3ccc(cc3)[C@@H](C4CCCC4)C(=O)O,
,,,PG4:A:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,BOG:A:202,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4YL1,,,,,,,
,,,BOG:A:204,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:205,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,4U8:A:201,valid,ic50,=,2.58,uM,CC(C)Oc1ccc(cc1)n2c3ccc(cc3cc2C(=O)O)c4ccc(cc4)C(C)(C)C,
,,,GSH:A:203,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4YK5,,,,,,,
,,,4DV:A:201,valid,ic50,=,0.96,uM,Cc1ccccc1c2ccc(cc2F)c3ccc4c(c3)c(c(n4Cc5ccc(cc5)Cl)CC(C)(C)C(=O)O)C,
,,,JZR:A:204,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:205,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PG0:A:202,invalid,,,,,COCCOCCO,
,,,PG4:A:206,invalid,,,,,C(COCCOCCOCCO)O,
,,,GSH:A:203,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
5.3.1.29,,,,,,,,,
,Family. Representative Entry is ,5YFT,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,RI2:B:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,MRD:A:404,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,5YFS,,,,,,,
,,,RI2:B:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,MPD:A:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5YFW,,,,,,,
,,,AMP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,RI2:B:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,MRD:B:404,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5YG7,,,,,,,
,,,RI2:B:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,G:C:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:B:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:C:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:A:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MRD:A:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5YGA,,,,,,,
,,,RI2:B:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,10,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,G:C:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:B:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,AMP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:A:404,Part of Protein,,,,,[K+],
,,,K:C:403,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5YFU,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,RUB:C:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:B:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:A:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MPD:A:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5YG6,,,,,,,
,,,G:A:405,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:B:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:A:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:A:406,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,RI2:B:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:A:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RI2:C:401,valid,Kd,=,13.8,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5YFJ,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,RUB:C:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:A:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,RUB:B:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
3.5.3.11,,,,,,,,,
,Family. Representative Entry is ,1WOG,,,,,,,
,,,16D:A:1401,valid,,,,,C(CCCN)CCN,
,,,16D:B:1402,valid,,,,,C(CCCN)CCN,
,,,16D:C:1403,valid,,,,,C(CCCN)CCN,
,,,16D:D:1404,valid,,,,,C(CCCN)CCN,
,,,16D:E:1405,valid,,,,,C(CCCN)CCN,
,,,16D:F:1406,valid,,,,,C(CCCN)CCN,
,,,MN:A:1601,Part of Protein,,,,,[Mn+2],
,,,MN:A:1602,Part of Protein,,,,,[Mn+2],
,,,MN:B:1603,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:C:1605,Part of Protein,,,,,[Mn+2],
,,,MN:C:1606,Part of Protein,,,,,[Mn+2],
,,,MN:D:1607,Part of Protein,,,,,[Mn+2],
,,,MN:D:1608,Part of Protein,,,,,[Mn+2],
,,,MN:E:1609,Part of Protein,,,,,[Mn+2],
,,,MN:E:1610,Part of Protein,,,,,[Mn+2],
,,,MN:F:1611,Part of Protein,,,,,[Mn+2],
,,,MN:F:1612,Part of Protein,,,,,[Mn+2],
2.7.1.35,,,,,,,,,
,Family. Representative Entry is ,4C5N,,,,,,,
,,,SO4:D:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UEG:D:300,invalid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,PXL:A:300,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,PXL:C:300,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,PXL:B:300,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,4C5L,,,,,,,
,,,UEG:D:300,invalid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,UEG:A:300,invalid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,UEG:C:300,invalid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PXL:B:300,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,4C5K,,,,,,,
,,,SO4:B:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:D:1277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1277,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4C5M,,,,,,,
,,,SO4:D:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6K92,,,,,,,
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,invalid,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,CA:A:805,invalid,,,,,[Ca+2],
,,,GT0:B:602,valid,,,,,Cc1c(c(c(cn1)CO)COC)O,
,,,GT0:A:802,valid,,,,,Cc1c(c(c(cn1)CO)COC)O,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,PO4:A:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6K90,,,,,,,
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,invalid,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,PXM:A:501,valid,,,,,Cc1c(c(c(cn1)CO)CN)O,
,,,PXM:B:602,valid,,,,,Cc1c(c(c(cn1)CO)CN)O,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,6K91,,,,,,,
,,,CA:B:906,invalid,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:605,invalid,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,invalid,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,PO4:B:908,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UEG:A:602,valid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,UEG:B:902,valid,,,,,Cc1c(c(c(cn1)CO)CO)O,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:907,invalid,,,,,[Cl-],
,,6K8Z,,,,,,,
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4EN4,,,,,,,
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GT0:A:405,valid,Ki,=,3,uM,Cc1c(c(c(cn1)CO)COC)O,
,,,GT0:B:414,valid,Ki,=,3,uM,Cc1c(c(c(cn1)CO)COC)O,
,,,GT1:A:410,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)COC)O,
,,,GT1:B:405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)COC)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MPD:A:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:408,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:409,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FHY,,,,,,,
,,,ATP:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MPD:A:318,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:319,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:320,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:321,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:322,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:323,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:324,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:325,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EOH,,,,,,,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:408,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:409,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:411,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:B:401,invalid,,,,,[Na+],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEP:A:402,valid,Ki,=,50,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:B:402,valid,Ki,=,50,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,3FHX,,,,,,,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MPD:A:321,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:319,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:320,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:321,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,PLP:B:314,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PXL:A:313,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,PXL:B:313,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YXU,,,,,,,
,,,ATP:A:1410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1404,Part of Protein,,,,,[Mg+2],
,,,MG:B:2404,Part of Protein,,,,,[Mg+2],
,,,MPD:A:1011,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1013,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1037,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1015,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1019,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1021,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1023,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1025,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1029,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1031,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1039,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1041,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1406,Part of Protein,,,,,[Na+],
,,,NA:B:2406,Part of Protein,,,,,[Na+],
,,,PO4:A:1501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1517,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1527,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5ZWB,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:B:301,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ADP:A:304,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1TD2,,,,,,,
,,,PXL:A:288,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,PXL:B:289,valid,,,,,Cc1c(c(c(cn1)CO)C=O)O,
,,,SO4:B:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3ZS7,,,,,,,
,,,ATP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5ZWA,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:309,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:310,invalid,,,,,[Mg+2],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,PLP:B:302,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GOL:B:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
7.-.-.-,,,,,,,,,
,Family. Representative Entry is ,5WQC,,,,,,,
,,,1PE:A:3501,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,7MA:A:2001,valid,,,,,CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C,
,,,OLA:A:3004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:3005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:3001,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:3003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:3002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,4S0V,,,,,,,
,,,SUV:A:2001,valid,,,,,Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5,
,,,OLA:A:2002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,5WS3,,,,,,,
,,,OLA:A:2002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,7MA:A:2001,valid,,,,,CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C,
,,,1PE:A:2006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5CCO,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,5NYZ,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5CCT,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1NSA,,,,,,,
,,,BEN:A:1,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:2,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:3,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6CFC,,,,,,,
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BLG:A:601,valid,Kd,=,210,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,Family. Representative Entry is ,6C8T,,,,,,,
,,,EQJ:B:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:A:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EQJ:C:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,CL:D:401,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6HLY,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,G9Z:A:410,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,6HLZ,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:428,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:427,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,PEG:A:435,invalid,,,,,C(COCCO)O,
,,,PEG:A:434,invalid,,,,,C(COCCO)O,
,,,PEG:A:440,invalid,,,,,C(COCCO)O,
,,,PEG:B:421,invalid,,,,,C(COCCO)O,
,,,PEG:A:441,invalid,,,,,C(COCCO)O,
,,,PEG:B:423,invalid,,,,,C(COCCO)O,
,,,PEG:B:424,invalid,,,,,C(COCCO)O,
,,,PEG:A:438,invalid,,,,,C(COCCO)O,
,,,PEG:A:436,invalid,,,,,C(COCCO)O,
,,,PEG:A:437,invalid,,,,,C(COCCO)O,
,,,PEG:B:422,invalid,,,,,C(COCCO)O,
,,,PEG:A:433,invalid,,,,,C(COCCO)O,
,,,PEG:A:439,invalid,,,,,C(COCCO)O,
,,,P4G:B:418,invalid,,,,,CCOCCOCCOCC,
,,,P4G:A:429,invalid,,,,,CCOCCOCCOCC,
,,,P4G:A:430,invalid,,,,,CCOCCOCCOCC,
,,,P4G:B:419,invalid,,,,,CCOCCOCCOCC,
,,,P4G:B:417,invalid,,,,,CCOCCOCCOCC,
,,,P4G:A:431,invalid,,,,,CCOCCOCCOCC,
,,,P6G:A:442,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,G9Z:A:432,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,G9Z:B:420,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,6HM2,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,NA:C:404,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:D:405,Part of Protein,,,,,[Na+],
,,,G9Z:E:401,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,G9Z:D:401,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,G9Z:B:401,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,G9Z:C:401,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,G9Z:A:401,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,Family. Representative Entry is ,5WZE,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,MN:C:508,Part of Protein,,,,,[Mn+2],
,,,MN:B:512,invalid,,,,,[Mn+2],
,,,MN:A:509,invalid,,,,,[Mn+2],
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,MN:C:509,Part of Protein,,,,,[Mn+2],
,,,MN:B:511,Part of Protein,,,,,[Mn+2],
,,,MN:D:509,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,invalid,,,,,[Mn+2],
,,,MN:B:510,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,MN:C:507,invalid,,,,,[Mn+2],
,,,NA:B:502,invalid,,,,,[Na+],
,,,NA:C:501,invalid,,,,,[Na+],
,,,NA:A:501,invalid,,,,,[Na+],
,,,NA:B:501,invalid,,,,,[Na+],
,,,CA:B:509,invalid,,,,,[Ca+2],
,,,CA:A:506,invalid,,,,,[Ca+2],
,,,CA:C:505,invalid,,,,,[Ca+2],
,,,CA:B:508,Part of Protein,,,,,[Ca+2],
,,,CA:C:506,invalid,,,,,[Ca+2],
,,,ALA:B:507,invalid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:A:505,invalid,,,,,C[C@@H](C(=O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO:A:504,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:510,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:506,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:504,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5AWQ,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5AWP,,,,,,,
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC GLC:B:1,valid,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,1SS4,,,,,,,
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,CIT:A:431,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:401,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,GSH:B:432,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5O2T,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSP:A:202,valid,Kd,=,3.9,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,5WFO,,,,,,,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,5UU:N:1101,valid,,,,,c1cc(ccc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)F,
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6T5U,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MKW:B:203,valid,,,,,CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl,
,,,MKW:A:203,valid,,,,,CCC(=O)N1CCN2c3c4cc(c(cc4ncc3OC[C@H]2C1)c5c(ccc6c5c[nH]n6)C)Cl,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5WHA,,,,,,,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:J:201,Part of Protein,,,,,[Mg+2],
,,,MG:G:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,CA:G:204,Part of Protein,,,,,[Ca+2],
,,,CA:G:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:I:101,Part of Protein,,,,,[Ca+2],
,,,CA:I:102,Part of Protein,,,,,[Ca+2],
,,,GDP:J:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:G:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6EPO,,,,,,,
,,,BPW:S:1101,valid,,,,,c1cc(ccc1CCCN)Cl,
,,,BPW:S:1102,valid,,,,,c1cc(ccc1CCCN)Cl,
,,,GOL:R:201,invalid,,,,,C(C(CO)O)O,
,,6OB3,,,,,,,
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:B:1502,invalid,,,,,[Cl-],
,,,CL:B:1501,invalid,,,,,[Cl-],
,,,MES:B:1504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1501,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6FA3,,,,,,,
,,,D1Z:F:201,valid,Kd,=,0.038,uM,CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5,
,,,D1Z:A:201,valid,Kd,=,0.038,uM,CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5,
,,,D1Z:B:203,valid,Kd,=,0.038,uM,CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5,
,,,D1Z:C:203,valid,Kd,=,0.038,uM,CN(C)Cc1cccc(c1)Nc2ccc(nc2OC)c3cccc4c3O[C@@H](CO4)CNC(=O)C5CCOCC5,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,DMS:F:204,invalid,,,,,CS(=O)C,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,6WGN,,,,,,,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GNP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5WFQ,,,,,,,
,,,5UV:N:1101,valid,,,,,c1cc(c(cc1Nc2c3cc(ccc3nc4c2CCCC4)Cl)Cl)F,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5E95,,,,,,,
,,,GDP:A:201,valid,Kd,=,15.7,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,6FA4,,,,,,,
,,,D1W:D:203,valid,Kd,=,0.051,uM,CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4,
,,,D1W:A:203,valid,Kd,=,0.051,uM,CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4,
,,,D1W:F:203,valid,Kd,=,0.051,uM,CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4,
,,,D1W:B:203,valid,Kd,=,0.051,uM,CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4,
,,,D1W:A:204,valid,Kd,=,0.051,uM,CN(C)Cc1ccc(cc1)Nc2ccc(nc2OC)c3cccc4c3OCCO4,
,,,GNP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,6H46,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1WQ1,,,,,,,
,,,AF3:R:169,valid,,,,,F[Al](F)F,
,,,GDP:R:167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:R:168,Part of Protein,,,,,[Mg+2],
,,3KUD,,,,,,,
,,,GDP:A:170,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,6EPP,,,,,,,
,,,GOL:R:201,invalid,,,,,C(C(CO)O)O,
,,,BOQ:S:1101,valid,,,,,CCOC(=O)c1cc(oc1CN)C(C)(C)C,
,,5WPM,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LFD,,,,,,,
,,,GNP:B:1380,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:2380,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1373,Part of Protein,,,,,[Mg+2],
,,,MG:D:2373,Part of Protein,,,,,[Mg+2],
,,5WFR,,,,,,,
,,,5UW:N:1101,valid,,,,,c1ccc(cc1)C(CCNC2CCNCC2)c3ccccc3,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5UFQ,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CD:A:206,invalid,,,,,[Cd+2],
,,,CD:B:205,invalid,,,,,[Cd+2],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:D:101,invalid,,,,,[Cl-],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,6AMB,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6EPN,,,,,,,
,,,DMS:S:1102,invalid,,,,,CS(=O)C,
,,,GOL:R:201,invalid,,,,,C(C(CO)O)O,
,,,BQ2:S:1101,valid,,,,,c1ccc2c(c1)CCN(C2)C(=O)CO,
,,6FA1,,,,,,,
,,,GNP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,D2Z:F:203,valid,,,,,C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2,
,,,D2Z:A:203,valid,,,,,C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2,
,,,D2Z:B:203,valid,,,,,C[NH+](C)CCOc1ccc(cc1)C(=O)NC[C@@H]2COc3ccccc3O2,
,,6GQX,,,,,,,
,,,GNP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,F8K:A:203,valid,,,,,C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC,
,,,F8K:C:203,valid,,,,,C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC,
,,,F8K:B:203,valid,,,,,C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2OC)c3cccc(c3)OC,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,5UFE,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:A:207,invalid,,,,,[Cd+2],
,,,CD:A:206,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CA:B:101,invalid,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CO:A:212,Part of Protein,,,,,[Co+2],
,,,CO:A:213,Part of Protein,,,,,[Co+2],
,,,CO:A:214,Part of Protein,,,,,[Co+2],
,,,MG:A:211,Part of Protein,,,,,[Mg+2],
,,6EPM,,,,,,,
,,,BQ5:S:1101,valid,,,,,c1ccc(cc1)n2c3c(c(n2)CN)CCC3,
,,,GOL:R:201,invalid,,,,,C(C(CO)O)O,
,,5WFP,,,,,,,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,5UX:N:1101,valid,,,,,c1cc(c(cc1Nc2c3ccc(cc3nc4c2CCCC4)Cl)Cl)F,
,,5WHB,,,,,,,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:G:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:J:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:101,Part of Protein,,,,,[Ca+2],
,,,CA:J:203,invalid,,,,,[Ca+2],
,,,CA:F:102,Part of Protein,,,,,[Ca+2],
,,,CA:J:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:F:101,Part of Protein,,,,,[Ca+2],
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:C:102,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,MG:J:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:G:202,Part of Protein,,,,,[Mg+2],
,,5WPL,,,,,,,
,,,CA:G:204,Part of Protein,,,,,[Ca+2],
,,,CA:J:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:J:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:L:101,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,GNP:G:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:J:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:J:202,Part of Protein,,,,,[Mg+2],
,,,MG:G:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:G:202,Part of Protein,,,,,[Mg+2],
,,5XCO,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,1NVU,,,,,,,
,,,GTP:Q:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:Q:1002,Part of Protein,,,,,[Mg+2],
,,,PO4:Q:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1047,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1048,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:1049,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5WHE,,,,,,,
,,,GNP:G:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:J:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,CA:D:803,Part of Protein,,,,,[Ca+2],
,,,CA:G:802,Part of Protein,,,,,[Ca+2],
,,,CA:F:102,Part of Protein,,,,,[Ca+2],
,,,CA:G:803,Part of Protein,,,,,[Ca+2],
,,,CA:A:805,invalid,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:D:802,Part of Protein,,,,,[Ca+2],
,,,CA:F:101,Part of Protein,,,,,[Ca+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,MG:A:806,Part of Protein,,,,,[Mg+2],
,,,MG:J:802,Part of Protein,,,,,[Mg+2],
,,,MG:D:804,Part of Protein,,,,,[Mg+2],
,,,MG:G:804,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4I3G,,,,,,,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,MPO:B:906,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:910,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,BGC:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5XLS,,,,,,,
,,,KEG:A:502,invalid,,,,,O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12,
,,,KEG:A:503,invalid,,,,,O=[W]1234O[W]567(=O)O18[P]91O%10%11[W]%12%13(=O)(O2)O[W]%102(=O)(O5)O[W]%115(=O)(O%12)O[W]%10%11%12(=O)O99[W](=O)(O%10)(O3)(O%13)O[W]93(=O)(O%11)O[W]8(=O)(O4)(O6)O[W]46(=O)(O3)O11[W](=O)(O4)(O7)(O2)O[W]1(=O)(O6)(O5)O%12,
,,,URA:A:501,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,5M1T,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,C2E:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2W5T,,,,,,,
,,,ACT:A:1643,invalid,,,,,CC(=O)[O-],
,,,GP9:A:1644,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,MN:A:1642,Part of Protein,,,,,[Mn+2],
,,2W5R,,,,,,,
,,,ACT:A:1642,invalid,,,,,CC(=O)[O-],
,,,GP9:A:1644,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,MN:A:1643,Part of Protein,,,,,[Mn+2],
,,2W5S,,,,,,,
,,,ACT:A:1643,invalid,,,,,CC(=O)[O-],
,,,GP9:A:1644,valid,,,,,C(C(COP(=O)([O-])[O-])O)O,
,,,MN:A:1642,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4JUI,,,,,,,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,EGR:A:501,valid,,,,,CCOC(=O)c1cc(c(c(c1)O)O)O,
,,,EGR:B:501,valid,,,,,CCOC(=O)c1cc(c(c(c1)O)O)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:502,invalid,,,,,C(COCCOCCO)O,
,,4J0H,,,,,,,
,,,GDE:B:501,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,GDE:A:501,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PG4:B:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,4J0K,,,,,,,
,,,EGR:B:501,valid,,,,,CCOC(=O)c1cc(c(c(c1)O)O)O,
,,,EGR:A:501,valid,,,,,CCOC(=O)c1cc(c(c(c1)O)O)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PG4:B:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,4J0I,,,,,,,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,DHB:B:501,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:A:501,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,PG4:B:502,invalid,,,,,C(COCCOCCOCCO)O,
,,4J0J,,,,,,,
,,,E35:B:501,valid,,,,,CCOC(=O)c1cc(cc(c1)O)O,
,,,E35:A:501,valid,,,,,CCOC(=O)c1cc(cc(c1)O)O,
,Family. Representative Entry is ,1GXU,,,,,,,
,,,2HP:A:1092,valid,,,,,OP(=O)(O)[O-],
,Family. Representative Entry is ,4UZ3,,,,,,,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,DIO:C:1069,invalid,,,,,C1COCCO1,
,,,DIO:A:1128,invalid,,,,,C1COCCO1,
,,,NDG NAG NAG NAG NAG NAG:D:1,valid,,,,,,
,,,NDG NAG NAG NAG NAG NAG:F:1,valid,,,,,,
,,,NDG NAG NAG NAG NAG NAG:A:1112,valid,,,,,,
,Family. Representative Entry is ,5B6D,,,,,,,
,,,C5P:B:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,5JP9,,,,,,,
,,,DCM:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:B:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,5B6E,,,,,,,
,,,5HM:B:401,valid,,,,,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO,
,,,5HM:A:401,valid,,,,,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)CO,
,Family. Representative Entry is ,5TAR,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FAR:A:201,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,4F4S,,,,,,,
,,,EFO:B:101,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:B:102,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:E:101,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:K:101,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:K:102,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:M:101,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,,,EFO:O:101,valid,,,,,CC[C@@H]1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C,
,Family. Representative Entry is ,6NIE,,,,,,,
,,,LYS:C:301,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:301,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:301,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:301,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,FE2:B:302,Part of Protein,,,,,[Fe+2],
,,,FE2:D:302,Part of Protein,,,,,[Fe+2],
,,,FE2:C:302,Part of Protein,,,,,[Fe+2],
,,,FE2:A:302,Part of Protein,,,,,[Fe+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,AKG:D:304,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:304,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:304,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:304,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:B:305,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6EUX,,,,,,,
,,,BYB:A:601,valid,,,,,c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F,
,Family. Representative Entry is ,5MUJ,,,,,,,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,XXM RAM 8OQ GAL 8PK ARA RAM RAM:B:1,valid,,,,,O=C([O-])C1(O)C(OC2C(OC3C(OC)C(O)C(OC(O)C)C(C)O3)C(O)C(OC3C(OC4C(O)C(O)C(O)C(C)O4)C(OC4C(O)C(O)C(O)C(C)O4)C(O)CO3)C(CO)O2)C(OC2C(O)C(O)C(OC3(CO)C(O)C(O)OC3)OC2C)OC1C,
,,5MUI,,,,,,,
,,,RAM 8OQ GAL 8PK ARA RAM RAM FUB:B:1,valid,,,,,O=C([O-])C1(O)C(OC2C(OC3C(OC)C(O)C(OC(O)C)C(C)O3)C(O)C(OC3C(OC4C(OC5C(O)C(O)C(CO)O5)C(O)C(O)C(C)O4)C(OC4C(O)C(O)C(O)C(C)O4)C(O)CO3)C(CO)O2)C(OC2C(O)C(O)OC(C)C2O)OC1C,
,Family. Representative Entry is ,2HF9,,,,,,,
,,,GSP:A:300,valid,Kd,=,3.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:300,valid,Kd,=,3.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,2HF8,,,,,,,
,,,GSP:A:300,valid,Kd,=,3.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:300,valid,Kd,=,3.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EFC,,,,,,,
,,,GTP:A:501,valid,Kd,=,14.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5EFA,,,,,,,
,,,MGT:A:501,valid,Kd,=,14.7,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6WI4,,,,,,,
,,,ACE ASP GLU VAL ASP:E:1,valid,,,,,,
,,,ACE ASP GLU VAL ASP:D:1,valid,,,,,,
,,,ACE ASP GLU VAL ASP ASP GLU VAL ASP:E:2,invalid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP ASP GLU VAL ASP:D:1,invalid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,LYS LEU PHE SER PHE GLY GLY:C:121,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC=O)Cc1ccccc1)CO)Cc1ccccc1)CC(C)C)C([NH3+])CC,
,Family. Representative Entry is ,6TZK,,,,,,,
,,,C8E:A:1204,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,HEZ:A:1202,invalid,,,,,C(CCCO)CCO,
,,,CA:A:1206,Part of Protein,,,,,[Ca+2],
,,,3PE:A:1205,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,,,LMT:A:1201,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PE5:A:1203,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,4WP9,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ZDA:B:301,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,ZDA:A:303,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,5D0E,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,,5D0H,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,4WPA,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,PPV:A:302,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:302,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,4WP8,,,,,,,
,,,ZDA:B:302,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,ZDA:A:303,valid,,,,,C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,5D0G,,,,,,,
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2ZXI,,,,,,,
,,,FAD:A:618,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:618,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:618,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:618,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6AZQ,,,,,,,
,,,C5J:B:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:H:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:G:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:E:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:A:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:C:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,C5J:D:301,valid,,,,,C(=O)(N)NC(=O)N,
,,,CA:B:302,invalid,,,,,[Ca+2],
,,,CA:C:302,invalid,,,,,[Ca+2],
,,,CA:C:303,invalid,,,,,[Ca+2],
,,,CA:G:302,invalid,,,,,[Ca+2],
,,,CA:F:301,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,4IBF,,,,,,,
,,,1D5:A:401,valid,Kd,=,36.8,uM,c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br,
,,,1D5:B:401,valid,Kd,=,36.8,uM,c1cc(ccc1CC(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc(cs4)Br,
,,4IBG,,,,,,,
,,,1D6:A:401,valid,Kd,=,108,uM,Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O,
,,,1D6:B:401,valid,Kd,=,108,uM,Cc1cccc(c1)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5ccc(cc5)CC(=O)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,4IBD,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,1DL:A:401,valid,Kd,=,214.6,uM,Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br,
,,,1DL:B:401,valid,Kd,=,214.6,uM,Cc1ccc(cc1C(=O)O)N2[C@H](C(=C(C2=O)O)C(=O)c3ccccc3)c4cc(cs4)Br,
,,4IBE,,,,,,,
,,,11Y:A:401,valid,Kd,=,70.6,uM,c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O,
,,,11Y:B:401,valid,Kd,=,70.6,uM,c1ccc(cc1)C(=O)C2=C(C(=O)N([C@H]2c3cc(cs3)Br)c4ccc(c(c4)C(=O)O)Cl)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4IBB,,,,,,,
,,,1DK:B:401,valid,Kd,=,270.7,uM,Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C,
,,,1DK:A:401,valid,Kd,=,270.7,uM,Cc1cc(c(cc1C)C2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4cccs4)C,
,,4IBK,,,,,,,
,,,1DE:B:401,valid,Kd,=,50.4,uM,c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O,
,,,1DE:A:401,valid,Kd,=,50.4,uM,c1cc(cc(c1)N2[C@H](C(=C(C2=O)O)C(=O)c3ccc(s3)Cl)c4cc5c(c(c4)Cl)OCO5)C(=O)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4IBJ,,,,,,,
,,,1D9:B:401,valid,Kd,=,47,uM,c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F,
,,,1D9:A:401,valid,Kd,=,47,uM,c1cc(cc(c1)C(F)(F)F)[C@H]2C(=C(C(=O)N2c3cccc(c3)C(=O)O)O)C(=O)c4cccc(c4)C(F)(F)F,
,,4IBC,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,12G:B:401,valid,Kd,=,1049,uM,c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl,
,,,12G:A:401,valid,Kd,=,1049,uM,c1ccc(c(c1)[C@H]2C(=C(C(=O)N2c3ccc(cc3)CC(=O)O)O)C(=O)c4ccccc4Cl)Cl,
,,4IBI,,,,,,,
,,,1D8:A:401,valid,Kd,=,73,uM,c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O,
,,,1D8:B:401,valid,Kd,=,73,uM,c1cc(cc(c1)C(F)(F)F)C(=O)C2=C(C(=O)N([C@H]2c3cc4c(c(c3)Cl)OCO4)c5cccc(c5)C(=O)O)O,
,Family. Representative Entry is ,4MVK,,,,,,,
,,,ACE VAL PHE PHE ALA GLU ASP NH2:B:17,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)Cc1ccccc1)Cc1ccccc1)C)CCC(=O)[O-])CC(=O)[O-],
,Family. Representative Entry is ,6FFL,,,,,,,
,,,PT:A:405,invalid,,,,,[Pt+2],
,,,PT:A:403,invalid,,,,,[Pt+2],
,,,PT:A:401,invalid,,,,,[Pt+2],
,,,PT:A:402,invalid,,,,,[Pt+2],
,,,PT:A:404,invalid,,,,,[Pt+2],
,,,GLC GLC GLC:B:1,valid,Kd,=,8.5,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5H81,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,NAP:B:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5ZCE,,,,,,,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,5ZCC,,,,,,,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5ZCD,,,,,,,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2X24,,,,,,,
,,,X24:A:1715,valid,,,,,CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN,
,,,X24:B:1714,valid,,,,,CC(C)(C)OC(=O)NCC1CCC(CC1)CNC(=O)c2cc(nc3c2cccc3)c4ccc(cc4)CN,
,Family. Representative Entry is ,4V0K,,,,,,,
,,,CD:A:1183,invalid,,,,,[Cd+2],
,,,CD:A:1186,invalid,,,,,[Cd+2],
,,,CD:A:1184,invalid,,,,,[Cd+2],
,,,CD:A:1182,invalid,,,,,[Cd+2],
,,,CD:B:1182,invalid,,,,,[Cd+2],
,,,CD:B:1184,invalid,,,,,[Cd+2],
,,,CD:B:1183,invalid,,,,,[Cd+2],
,,,CD:B:1181,invalid,,,,,[Cd+2],
,,,CD:A:1185,invalid,,,,,[Cd+2],
,,,CD:A:1181,invalid,,,,,[Cd+2],
,,,GDP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4V0L,,,,,,,
,,,GTP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6NEL,,,,,,,
,,,KKV:A:304,valid,ic50,=,11,nM,c1cc(ccc1C2=C(NC(=O)C(=C2)O)c3ccc(cc3)F)C(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,4M5R,,,,,,,
,,,MN:A:307,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MSR:A:306,valid,ic50,=,1000,uM,c1cc(ccc1n2ccnc2)O,
,,,MSR:A:304,valid,ic50,=,1000,uM,c1cc(ccc1n2ccnc2)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,4M4Q,,,,,,,
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,21A:A:304,valid,ic50,=,0.011,uM,c1cc(ccc1c2cc(c(nc2c3ccc(cc3)F)O)O)c4[nH]nnn4,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MK1,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,27Y:A:308,valid,ic50,=,16,uM,C1=C(C(=O)NC=C1Br)O,
,,,27Y:A:307,valid,ic50,=,16,uM,C1=C(C(=O)NC=C1Br)O,
,,,27Y:A:309,valid,ic50,=,16,uM,C1=C(C(=O)NC=C1Br)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,4M5O,,,,,,,
,,,X48:A:307,valid,ic50,=,0.38,uM,c1ccc(cc1)C2=NC(=O)C(=CC2)O,
,,,X48:A:306,valid,ic50,=,0.38,uM,c1ccc(cc1)C2=NC(=O)C(=CC2)O,
,,,X48:A:308,valid,ic50,=,0.38,uM,c1ccc(cc1)C2=NC(=O)C(=CC2)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,6NEM,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,KKS:A:304,valid,ic50,=,12,nM,c1ccc2c(c1)cccc2CC3=C(NC(=O)C(=C3)O)c4ccc(cc4)c5[nH]nnn5,
,,4MK5,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,28A:A:306,valid,ic50,=,0.45,uM,COc1cccc(c1)C2=NC(=O)C(=CC2)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,4M5U,,,,,,,
,,,20F:A:305,valid,ic50,=,0.023,uM,c1cc(ccc1c2[nH]nnn2)C3=C(C=C(C(=O)N3)O)c4ccc(cc4)F,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,invalid,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4W9S,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3K1:A:304,valid,ic50,=,0.15,uM,c1cc(ccc1c2[nH]nnn2)C3=NC=C(C(=O)N3)O,
,,4MK2,,,,,,,
,,,28B:A:306,valid,ic50,=,0.73,uM,c1cc(cc(c1)C2=CNC(=O)C(=C2)O)C#N,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:305,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5KDX,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1014,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1020,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:B:1017,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:B:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:B:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1012,invalid,,,,,C(CO)O,
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:B:1006,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,,A2G SER GAL:D:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:C:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,2FN1,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,PYR:A:505,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:502,valid,,,,,CC(=O)C(=O)O,
,,,SAL:A:506,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:503,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,6GXA,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,TB8:B:504,valid,ic50,=,60,nM,c1ccc(c(c1)/C=C/C(=O)NO)Cl,
,,,TB8:A:504,invalid,ic50,=,60,nM,c1ccc(c(c1)/C=C/C(=O)NO)Cl,
,,,TB8:D:504,valid,ic50,=,60,nM,c1ccc(c(c1)/C=C/C(=O)NO)Cl,
,,,TB8:C:504,valid,ic50,=,60,nM,c1ccc(c(c1)/C=C/C(=O)NO)Cl,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4BZ8,,,,,,,
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,J38:C:700,valid,,,,,C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO,
,,,J38:D:700,valid,,,,,C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO,
,,,J38:B:700,valid,,,,,C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO,
,,,J38:A:700,valid,,,,,C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO,
,,6HQY,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GKW:A:504,valid,Kd,=,367,nM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:C:504,valid,Kd,=,367,nM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:B:504,valid,Kd,=,367,nM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:D:504,valid,Kd,=,367,nM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4BZ7,,,,,,,
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,GOL:C:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,B3N:A:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:700,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:A:700,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:700,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:D:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:B:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:D:700,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,,B3N:C:701,valid,,,,,CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO,
,,6HU2,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,T34:A:504,valid,ic50,=,1260,nM,Cc1ccc(cc1NCc2ccccc2)C(=O)NO,
,,,T34:B:504,valid,ic50,=,1260,nM,Cc1ccc(cc1NCc2ccccc2)C(=O)NO,
,,,T34:C:504,valid,ic50,=,1260,nM,Cc1ccc(cc1NCc2ccccc2)C(=O)NO,
,,,T34:D:504,valid,ic50,=,1260,nM,Cc1ccc(cc1NCc2ccccc2)C(=O)NO,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,6HU0,,,,,,,
,,,GOL:C:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:516,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:514,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:513,invalid,,,,,CN(C)C=O,
,,,DMF:C:515,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,T86:D:504,valid,ic50,=,122,nM,COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO,
,,,T86:A:504,valid,ic50,=,122,nM,COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO,
,,,T86:C:504,valid,ic50,=,122,nM,COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO,
,,,T86:B:504,valid,ic50,=,122,nM,COc1ccc(cc1NC(=O)c2ccc(cc2Cl)Cl)C(=O)NO,
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,DMF GOL:C:512,invalid,,,,,,
,,,DMF GOL:C:508,invalid,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,4CQF,,,,,,,
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,DMF:B:802,invalid,,,,,CN(C)C=O,
,,,DMF:C:802,invalid,,,,,CN(C)C=O,
,,,DMF:A:800,invalid,,,,,CN(C)C=O,
,,,DMF:A:801,invalid,,,,,CN(C)C=O,
,,,DMF:C:800,invalid,,,,,CN(C)C=O,
,,,DMF:C:803,invalid,,,,,CN(C)C=O,
,,,DMF:B:801,invalid,,,,,CN(C)C=O,
,,,DMF:C:801,invalid,,,,,CN(C)C=O,
,,,DMF:D:801,invalid,,,,,CN(C)C=O,
,,,DMF:D:800,invalid,,,,,CN(C)C=O,
,,,DMF:B:800,invalid,,,,,CN(C)C=O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:901,invalid,,,,,C(C(CO)O)O,
,,,9Z8:A:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCNC(=O)CS,
,,,9Z8:C:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCNC(=O)CS,
,,,9Z8:D:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCNC(=O)CS,
,,,9Z8:B:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCNC(=O)CS,
,,6HTG,,,,,,,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:607,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:604,invalid,,,,,CN(C)C=O,
,,,DMF:B:608,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:605,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:611,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:610,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:606,invalid,,,,,CN(C)C=O,
,,,DMF:B:609,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,GOL:D:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,T61:B:603,valid,ic50,=,67,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO,
,,,T61:C:504,valid,ic50,=,67,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO,
,,,T61:A:504,valid,ic50,=,67,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO,
,,,T61:D:504,valid,ic50,=,67,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2Cl)C(=O)NO,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:614,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,6GX3,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,FF2:B:505,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:C:504,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:D:505,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:A:505,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:B:504,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:D:504,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:A:504,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,FF2:C:505,valid,ic50,=,250,nM,c1cc2c(cc(s2)C(=O)NO)c(c1)Cl,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6GXU,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:501,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:513,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,FG8:C:504,valid,ic50,=,180,nM,c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl,
,,,FG8:D:504,valid,ic50,=,180,nM,c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl,
,,,FG8:A:504,valid,ic50,=,180,nM,c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl,
,,,FG8:B:505,valid,ic50,=,180,nM,c1ccc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,GOL:C:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:509,invalid,,,,,C(C(CO)O)O,
,,6HTI,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GQW:B:501,valid,ic50,=,97,nM,c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO,
,,,GQW:C:501,valid,ic50,=,97,nM,c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO,
,,,GQW:A:505,valid,ic50,=,97,nM,c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO,
,,,GQW:D:501,valid,ic50,=,97,nM,c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO,
,,6HSG,,,,,,,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,GM5:D:504,valid,,,,,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:B:504,valid,,,,,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:A:504,valid,,,,,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:C:504,valid,,,,,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,DMF GOL:C:508,invalid,,,,,,
,,6TLD,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:512,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:D:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:501,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,NK5:D:505,valid,Kd,=,4.4,uM,c1ccc(cc1)n2cc(nn2)C(=O)NO,
,,,NK5:B:504,valid,Kd,=,4.4,uM,c1ccc(cc1)n2cc(nn2)C(=O)NO,
,,,NK5:C:504,valid,Kd,=,4.4,uM,c1ccc(cc1)n2cc(nn2)C(=O)NO,
,,,NK5:A:504,valid,Kd,=,4.4,uM,c1ccc(cc1)n2cc(nn2)C(=O)NO,
,,6HT8,,,,,,,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GQE:D:504,valid,ic50,=,190,nM,COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GQE:A:504,valid,ic50,=,190,nM,COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GQE:B:504,valid,ic50,=,190,nM,COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GQE:C:504,valid,ic50,=,190,nM,COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,GOL DMF:B:507,invalid,,,,,,
,,6HU1,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:D:512,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:511,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:510,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,GOL:D:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GT2:D:504,valid,ic50,=,191,nM,c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl,
,,,GT2:A:504,valid,ic50,=,191,nM,c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl,
,,,GT2:B:504,valid,ic50,=,191,nM,c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl,
,,,GT2:C:504,valid,ic50,=,191,nM,c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)Cl,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,6HRQ,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:514,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:513,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:511,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,GM5:D:504,valid,Kd,=,81.7,nM,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:B:504,valid,Kd,=,81.7,nM,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:A:504,valid,Kd,=,81.7,nM,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,GM5:C:504,valid,Kd,=,81.7,nM,c1ccc(cc1)SCn2cc(nn2)c3cccc(c3)C(=O)NO,
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,6HSF,,,,,,,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GKW:A:504,valid,,,,,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:C:504,valid,,,,,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:B:504,valid,,,,,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,GKW:D:504,valid,,,,,COc1ccc(cc1)Cn2ccc3c2cc(cc3)C(=O)NO,
,,,DMF GOL:C:508,invalid,,,,,,
,,4BZ9,,,,,,,
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,KMY:B:700,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:C:701,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:C:700,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:D:701,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:A:700,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:B:701,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:D:700,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,KMY:A:701,valid,,,,,c1ccc2c(c1)c(c(s2)C(=O)NO)Cl,
,,,DMF:C:902,invalid,,,,,CN(C)C=O,
,,,DMF:D:901,invalid,,,,,CN(C)C=O,
,,,DMF:C:900,invalid,,,,,CN(C)C=O,
,,,DMF:D:900,invalid,,,,,CN(C)C=O,
,,,DMF:A:901,invalid,,,,,CN(C)C=O,
,,,DMF:C:901,invalid,,,,,CN(C)C=O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:800,invalid,,,,,C(C(CO)O)O,
,,6HSZ,,,,,,,
,,,GOW:C:504,valid,ic50,=,116,nM,Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GOW:B:504,valid,ic50,=,116,nM,Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GOW:A:504,valid,ic50,=,116,nM,Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,GOW:D:504,valid,ic50,=,116,nM,Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6GXW,,,,,,,
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:C:803,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:804,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,DMF:C:801,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,GOL:C:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,FGN:C:805,valid,ic50,=,440,nM,c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl,
,,,FGN:A:504,valid,ic50,=,440,nM,c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl,
,,,FGN:D:504,valid,ic50,=,440,nM,c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl,
,,,FGN:B:504,valid,ic50,=,440,nM,c1ccc(c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl,
,,6FU1,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,E7Q:A:506,valid,ic50,=,4.4,uM,CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O,
,,,E7Q:B:504,valid,ic50,=,4.4,uM,CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O,
,,,E7Q:B:505,valid,ic50,=,4.4,uM,CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O,
,,,E7Q:A:504,valid,ic50,=,4.4,uM,CCCCCC(=O)N([C@H]1CC(=O)N(C1=O)c2ccc(cc2)Cl)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,5FUE,,,,,,,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:801,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,UV4:A:700,valid,ic50,=,468.2,nM,c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O,
,,,UV4:B:700,valid,ic50,=,468.2,nM,c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O,
,,,UV4:D:700,valid,ic50,=,468.2,nM,c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O,
,,,UV4:C:700,valid,ic50,=,468.2,nM,c1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)N=O,
,,,DMF:D:901,invalid,,,,,CN(C)C=O,
,,,DMF:C:900,invalid,,,,,CN(C)C=O,
,,,DMF:B:901,invalid,,,,,CN(C)C=O,
,,,DMF:C:901,invalid,,,,,CN(C)C=O,
,,,DMF:B:900,invalid,,,,,CN(C)C=O,
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,6HSH,,,,,,,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:517,invalid,,,,,C(C(CO)O)O,
,,,DMF GOL:B:511,invalid,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:A:511,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:501,invalid,,,,,CN(C)C=O,
,,,DMF:C:513,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:514,invalid,,,,,CN(C)C=O,
,,,DMF:D:510,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GOK:D:504,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:C:505,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:A:504,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:B:504,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:B:505,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,,GOK:C:506,valid,Kd,=,28.4,nM,Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C(=O)NO,
,,6HU3,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,GOL:D:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GRZ:D:504,valid,ic50,=,504,nM,c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F,
,,,GRZ:C:504,valid,ic50,=,504,nM,c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F,
,,,GRZ:A:504,valid,ic50,=,504,nM,c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F,
,,,GRZ:B:504,valid,ic50,=,504,nM,c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,6HTT,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:D:512,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:D:501,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:511,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:510,invalid,,,,,CN(C)C=O,
,,,DMF:D:513,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GQZ:D:505,valid,ic50,=,220,nM,c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO,
,,,GQZ:B:504,valid,ic50,=,220,nM,c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO,
,,,GQZ:C:504,valid,ic50,=,220,nM,c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO,
,,,GQZ:A:504,valid,ic50,=,220,nM,c1ccc(cc1)NC(=O)c2cccc(c2)C(=O)NO,
,,,GOL:D:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,4BZ6,,,,,,,
,,,DMF:B:653,invalid,,,,,CN(C)C=O,
,,,DMF:C:652,invalid,,,,,CN(C)C=O,
,,,DMF:B:652,invalid,,,,,CN(C)C=O,
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,GOL:B:651,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:651,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:651,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:651,invalid,,,,,C(C(CO)O)O,
,,,SHH:B:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:C:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:D:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:A:700,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,4BZ5,,,,,,,
,,,K:D:600,Part of Protein,,,,,[K+],
,,,K:C:600,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:B:600,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:A:600,Part of Protein,,,,,[K+],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,TLA:C:700,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:700,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:700,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:700,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6HTZ,,,,,,,
,,,DMF:B:510,invalid,,,,,CN(C)C=O,
,,,DMF:B:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:509,invalid,,,,,CN(C)C=O,
,,,DMF:C:506,invalid,,,,,CN(C)C=O,
,,,DMF:A:508,invalid,,,,,CN(C)C=O,
,,,DMF:C:505,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:513,invalid,,,,,CN(C)C=O,
,,,DMF:A:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:D:505,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:506,invalid,,,,,CN(C)C=O,
,,,DMF:D:510,invalid,,,,,CN(C)C=O,
,,,DMF:A:507,invalid,,,,,CN(C)C=O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:511,invalid,,,,,C(C(CO)O)O,
,,,GRK:D:504,valid,ic50,=,183,nM,COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO,
,,,GRK:B:504,valid,ic50,=,183,nM,COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO,
,,,GRK:C:504,valid,ic50,=,183,nM,COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO,
,,,GRK:A:504,valid,ic50,=,183,nM,COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,6HTH,,,,,,,
,,,DMF:B:517,invalid,,,,,CN(C)C=O,
,,,DMF:C:507,invalid,,,,,CN(C)C=O,
,,,DMF:C:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:507,invalid,,,,,CN(C)C=O,
,,,DMF:B:519,invalid,,,,,CN(C)C=O,
,,,DMF:D:508,invalid,,,,,CN(C)C=O,
,,,DMF:B:514,invalid,,,,,CN(C)C=O,
,,,DMF:C:510,invalid,,,,,CN(C)C=O,
,,,DMF:C:511,invalid,,,,,CN(C)C=O,
,,,DMF:D:509,invalid,,,,,CN(C)C=O,
,,,DMF:D:506,invalid,,,,,CN(C)C=O,
,,,DMF:B:513,invalid,,,,,CN(C)C=O,
,,,DMF:B:512,invalid,,,,,CN(C)C=O,
,,,DMF:B:516,invalid,,,,,CN(C)C=O,
,,,DMF:B:511,invalid,,,,,CN(C)C=O,
,,,DMF:C:508,invalid,,,,,CN(C)C=O,
,,,DMF:A:509,invalid,,,,,CN(C)C=O,
,,,DMF:B:515,invalid,,,,,CN(C)C=O,
,,,DMF:B:518,invalid,,,,,CN(C)C=O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:C:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,GQN:C:504,valid,ic50,=,75,nM,COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO,
,,,GQN:B:504,valid,ic50,=,75,nM,COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO,
,,,GQN:D:504,valid,ic50,=,75,nM,COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO,
,,,GQN:A:504,valid,ic50,=,75,nM,COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O)NO,
,Family. Representative Entry is ,6NOP,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6NOO,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6JWS,,,,,,,
,,,MG:B:807,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ATP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PT1:A:801,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,,PT1:B:801,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,6JWY,,,,,,,
,,,CKL:A:801,valid,,,,,COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N,
,,,CKL:B:801,valid,,,,,COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,MG:A:805,Part of Protein,,,,,[Mg+2],
,,,PH2:A:802,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,ATP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,CA:A:806,Part of Protein,,,,,[Ca+2],
,,6KCM,,,,,,,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,PE0:B:801,valid,,,,,c1cnc2c(n1)C(=O)NC(=N2)N,
,,,PE0:A:801,valid,,,,,c1cnc2c(n1)C(=O)NC(=N2)N,
,,,ATP:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PHB:B:802,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:A:802,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
,,,CA:A:806,Part of Protein,,,,,[Ca+2],
,,,ACT:B:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,MG:A:805,Part of Protein,,,,,[Mg+2],
,,,MG:B:805,Part of Protein,,,,,[Mg+2],
,,6JWQ,,,,,,,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,AMP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6KCK,,,,,,,
,,,PE0:B:801,valid,,,,,c1cnc2c(n1)C(=O)NC(=N2)N,
,,,PE0:A:801,valid,,,,,c1cnc2c(n1)C(=O)NC(=N2)N,
,,,PHB:B:802,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:A:802,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,MG:B:805,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:808,invalid,,,,,C(C(CO)O)O,
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
,,,CA:A:805,Part of Protein,,,,,[Ca+2],
,,,APC:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,ACT:B:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,6JWX,,,,,,,
,,,CKL:A:801,valid,,,,,COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N,
,,,CKL:B:801,valid,,,,,COc1c(ncnc1OC)NS(=O)(=O)c2ccc(cc2)NCC3=NC4=C(NC3)N=C(NC4=O)N,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,PH2:A:802,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,CA:A:807,Part of Protein,,,,,[Ca+2],
,,,CA:B:807,Part of Protein,,,,,[Ca+2],
,,,AMP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4GZP,,,,,,,
,,,CA:A:510,Part of Protein,,,,,[Ca+2],
,,,CA:A:511,Part of Protein,,,,,[Ca+2],
,,,G39:A:512,valid,Ki,=,14.3,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,4GZT,,,,,,,
,,,CA:A:511,Part of Protein,,,,,[Ca+2],
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,CA:B:510,Part of Protein,,,,,[Ca+2],
,,,CA:C:510,Part of Protein,,,,,[Ca+2],
,,,CA:D:513,Part of Protein,,,,,[Ca+2],
,,,G39:A:501,valid,Ki,=,17,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:501,valid,Ki,=,17,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:C:501,valid,Ki,=,17,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:501,valid,Ki,=,17,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:I:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG FUC:K:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA BMA BMA:H:1,invalid,,,,,,
,,,NAG NAG BMA BMA BMA:E:1,invalid,,,,,,
,,,NAG NAG BMA BMA BMA:G:1,invalid,,,,,,
,,,NAG NAG BMA BMA BMA:J:1,invalid,,,,,,
,,4GZX,,,,,,,
,,,CA:A:811,Part of Protein,,,,,[Ca+2],
,,,CA:A:812,Part of Protein,,,,,[Ca+2],
,,,CA:B:811,Part of Protein,,,,,[Ca+2],
,,,CA:C:812,Part of Protein,,,,,[Ca+2],
,,,CA:D:811,Part of Protein,,,,,[Ca+2],
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUL:L:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:I:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG FUC:J:1,invalid,,,,,,
,,,SIA:C:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:D:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4GZW,,,,,,,
,,,CA:A:513,Part of Protein,,,,,[Ca+2],
,,,CA:B:512,Part of Protein,,,,,[Ca+2],
,,,CA:C:812,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:513,Part of Protein,,,,,[Ca+2],
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:L:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG FUC:M:1,invalid,,,,,,
,,,SIA:D:502,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:G:1,valid,Kd,=,30,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:E:1,valid,Kd,=,30,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4GZQ,,,,,,,
,,,CA:A:510,Part of Protein,,,,,[Ca+2],
,,,CA:A:511,Part of Protein,,,,,[Ca+2],
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,SIA:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6BR6,,,,,,,
,,,NI:A:508,Part of Protein,,,,,[Ni+2],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,E3M:A:511,valid,Kd,=,3245,nM,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)S(=O)(=O)O)N,
,,,CA:A:509,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN:B:1,invalid,,,,,,
,,6BR5,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GYG:A:512,valid,ic50,=,19.9,nM,[H]/N=C(/N)N[C@H]1C[C@H](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)S(=O)(=O)O,
,,,CA:A:510,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5WGR,,,,,,,
,,,PM7:A:711,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:712,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,,CL:A:710,invalid,,,,,[Cl-],
,,5WGY,,,,,,,
,,,MB5:A:715,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,MB5:A:714,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CL:A:713,invalid,,,,,[Cl-],
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,5WGZ,,,,,,,
,,,IM7:A:715,valid,,,,,CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,IM7:A:716,valid,,,,,CC1(c2c(c3cc(ccc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:714,invalid,,,,,[Cl-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,5WGU,,,,,,,
,,,CL:A:712,invalid,,,,,[Cl-],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,PM7:A:714,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:713,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,5WGT,,,,,,,
,,,CL:A:712,invalid,,,,,[Cl-],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,PM7:A:714,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:713,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,5WGS,,,,,,,
,,,PM7:A:711,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:712,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:710,invalid,,,,,[Cl-],
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,5WGW,,,,,,,
,,,MB5:A:715,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,MB5:A:714,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CL:A:713,invalid,,,,,[Cl-],
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,5WGX,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CD:A:705,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,,SO4 MB5:A:714,valid,,,,,Clc1cc2n(OS(=O)(=O)[O-])c3C(C)(C)C4C5(NC(=O)C6([NH+](C5)CCC6)C4)Cc3c2cc1,
,,,MB5:A:718,valid,,,,,CC1(c2c(c3ccc(cc3[nH]2)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,CL:A:717,invalid,,,,,[Cl-],
,,5WGV,,,,,,,
,,,PM7:A:712,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,PM7:A:713,valid,,,,,CC1(c2c(c3ccccc3[nH]2)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CD:A:702,invalid,,,,,[Cd+2],
,,,CD:A:703,invalid,,,,,[Cd+2],
,,,CD:A:704,invalid,,,,,[Cd+2],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:711,invalid,,,,,[Cl-],
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4JYD,,,,,,,
,,,BR:A:413,invalid,,,,,[Br-],
,,,BR:A:412,invalid,,,,,[Br-],
,,,BR:A:414,invalid,,,,,[Br-],
,,,BR:A:411,invalid,,,,,[Br-],
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,1N7:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:407,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,H2S:A:409,invalid,,,,,S,
,,,H2S:A:410,invalid,,,,,S,
,,,FE:A:408,Part of Protein,,,,,[Fe+3],
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3CIW,,,,,,,
,,,CL:A:349,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,CPS:A:1701,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1702,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1703,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1704,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1705,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SAH:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAT:A:1706,invalid,,,,,C(C(=O)O)S(=O)(=O)O,
,,,SF4:A:2460,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4JYE,,,,,,,
,,,BR:A:413,invalid,,,,,[Br-],
,,,BR:A:409,invalid,,,,,[Br-],
,,,BR:A:412,invalid,,,,,[Br-],
,,,BR:A:410,invalid,,,,,[Br-],
,,,BR:A:411,invalid,,,,,[Br-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,1N7:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:407,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,F3S:A:408,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,CO3:A:414,invalid,,,,,C(=O)([O-])[O-],
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3CIX,,,,,,,
,,,CL:A:1713,invalid,,,,,[Cl-],
,,,CL:A:1714,invalid,,,,,[Cl-],
,,,CPS:A:1701,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1702,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1703,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1704,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1705,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:1707,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1706,invalid,,,,,C(COCCO)O,
,,,SAH:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAT:A:1722,invalid,,,,,C(C(=O)O)S(=O)(=O)O,
,,,SCN:A:1712,invalid,,,,,C(#N)[S-],
,,,SF4:A:2460,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5FEX,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,5AD SEC:A:410,valid,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MET:A:411,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,5FF3,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:409,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,H2S:A:411,invalid,,,,,S,
,,,H2S:A:412,invalid,,,,,S,
,,,PRS:A:413,valid,,,,,C1[C@H](NCS1)C(=O)O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SAH:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5FEP,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,SAM:A:407,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,41K:A:409,valid,,,,,C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3IIZ,,,,,,,
,,,CL:A:349,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CO3:A:351,invalid,,,,,C(=O)([O-])[O-],
,,,CPS:A:1701,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1702,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1703,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1704,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1705,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:2648,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,H2S:A:2649,invalid,,,,,S,
,,,H2S:A:2650,invalid,,,,,S,
,,,SAM:A:1501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:2460,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5FES,,,,,,,
,,,9SE:A:409,valid,,,,,C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SAM:A:408,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5FF0,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:410,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,5X8:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N,
,,,SFS:A:401,invalid,,,,,[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45,
,,,MET:A:408,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4JXC,,,,,,,
,,,IPA:A:412,invalid,,,,,CC(C)O,
,,,CL:A:414,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,1N7:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:407,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:409,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,H2S:A:411,invalid,,,,,S,
,,,H2S:A:410,invalid,,,,,S,
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JY9,,,,,,,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,1N7:A:410,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:408,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:407,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,FES:A:409,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4JYF,,,,,,,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,H2S:A:408,invalid,,,,,S,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,1N7:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,1N7:A:407,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CC(CS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CO3:A:412,invalid,,,,,C(=O)([O-])[O-],
,,5FF4,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SAH:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SE:A:411,Part of Protein,,,,,[SeH2],
,,,SE:A:410,Part of Protein,,,,,[SeH2],
,,,SFS:A:401,invalid,,,,,[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,5ZZ:A:409,valid,,,,,C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O,
,,3IIX,,,,,,,
,,,5AD:A:1501,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:A:349,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,CO3:A:352,invalid,,,,,C(=O)([O-])[O-],
,,,CPS:A:1701,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1702,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1703,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1704,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1705,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,H2S:A:1801,invalid,,,,,S,
,,,H2S:A:1802,invalid,,,,,S,
,,,H2S:A:1803,invalid,,,,,S,
,,,H2S:A:1804,invalid,,,,,S,
,,,MET:A:1401,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SF4:A:2460,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5FEW,,,,,,,
,,,5X8:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC[C@@H](C(=O)O)N)O)O)N,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SAH:A:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,41K:A:412,valid,,,,,C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O,
,,,MET:A:409,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5FF2,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,H2S:A:411,invalid,,,,,S,
,,,H2S:A:410,invalid,,,,,S,
,,,SAH:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5XB:A:409,valid,,,,,C1[C@H](N[C@H](S1)C(=O)O)C(=O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:407,invalid,,,,,[Cl-],
,,5FEZ,,,,,,,
,,,CPS:A:404,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:405,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:406,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:403,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,9SE:A:410,valid,,,,,C[C@]1(N[C@@H](C[Se]1)C(=O)O)C(=O)O,
,,,MET:A:409,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SFS:A:401,invalid,,,,,[Fe]12[Se]3[Fe]4[Se]1[Fe]5[Se]2[Fe]3[Se]45,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,5AD:A:408,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3OMC,,,,,,,
,,,CL:B:1000,invalid,,,,,[Cl-],
,,,THR GLY 2MR ALA ARG ALA ARG ALA:C:2,valid,,,,,O=CC([NH3+])CCCN=C(NC)NC,
,,,THR GLY 2MR ALA ARG ALA ARG ALA:D:3,valid,,,,,O=CC([NH3+])CCCN=C(NC)NC,
,,3OMG,,,,,,,
,,,ARG GLY ARG ALA 2MR GLY GLN GLU:C:2,valid,,,,,O=C(NCC(=O)NC(C=O)CCC(=O)N)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C)CCCN=C(NC)NC,
,,,ARG GLY ARG ALA 2MR GLY GLN GLU:D:3,valid,,,,,O=C(NCC(=O)NC(C=O)CCC(=O)N)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C)CCCN=C(NC)NC,
,Family. Representative Entry is ,4P53,,,,,,,
,,,NAI:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6XYA,,,,,,,
,,,MGP:B:1901,valid,Kd,=,138,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:B:1902,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4R4U,,,,,,,
,,,COA:A:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,MLA:D:303,invalid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,2YN4,,,,,,,
,,,39J:B:1237,valid,,,,,CC[C@@H](C(=O)O)Cl,
,,,39J:A:1237,valid,,,,,CC[C@@H](C(=O)O)Cl,
,Family. Representative Entry is ,5L77,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GUX:A:506,valid,ic50,=,0.1,nM,C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-],
,,,CL:A:507,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5N58,,,,,,,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,93W:B:502,valid,Kd,=,0.8,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O,
,,,93W:A:502,valid,Kd,=,0.8,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)C(=O)O)O,
,,5N55,,,,,,,
,,,8NN:B:502,valid,Kd,=,1.03,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O,
,,,8NN:A:502,valid,Kd,=,1.03,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O,
,,,8NN:C:502,valid,Kd,=,1.03,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5MKG,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,invalid,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,C2E:A:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3WWX,,,,,,,
,,,DIA:A:401,valid,,,,,C(CCCCN)CCCN,
,Family. Representative Entry is ,5H5O,,,,,,,
,,,PCG:B:201,valid,Kd,=,0.293,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:A:201,valid,Kd,=,0.293,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6L7V,,,,,,,
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:A:307,invalid,,,,,[I-],
,,,IOD:A:309,invalid,,,,,[I-],
,,,IOD:A:308,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:A:306,invalid,,,,,[I-],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,3PO:A:302,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,6L7X,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,E7R:A:301,valid,,,,,CCCn1cnc2c1C(=O)N(C(=O)N2C)C,
,Family. Representative Entry is ,5M77,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,7K2 7K3:D:1,valid,Kd,=,24.7,nM,S(CC1C(O)C(O)C(O)C(SCC2C(O)C(O)C[NH2+]C2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,7K2 7K3:C:1,valid,Kd,=,24.7,nM,S(CC1C(O)C(O)C(O)C(SCC2C(O)C(O)C[NH2+]C2)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2Z1U,,,,,,,
,,,ATP:A:342,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:343,Part of Protein,,,,,[Mg+2],
,,,MG:A:344,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6VEO,,,,,,,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YD4:A:1103,valid,,,,,Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5,
,Family. Representative Entry is ,6P29,,,,,,,
,,,PGE:A:202,invalid,,,,,C(COCCOCCO)O,
,,,NQ7:B:201,valid,,,,,C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N,
,,,NQ7:A:201,valid,,,,,C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O3)N,
,Family. Representative Entry is ,4YS0,,,,,,,
,,,MG:A:902,invalid,,,,,[Mg+2],
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2E4G,,,,,,,
,,,TRP:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1000,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2OA1,,,,,,,
,,,ADN:B:2005,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,FAD:A:2004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRP:A:2002,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:2003,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2OAL,,,,,,,
,,,CL:A:1000,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2J1P,,,,,,,
,,,BME:B:1305,invalid,,,,,C(CS)O,
,,,BME:B:1306,invalid,,,,,C(CS)O,
,,,GRG:A:1308,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,PGO:B:1303,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:1304,invalid,,,,,C[C@@H](CO)O,
,Family. Representative Entry is ,5Z4T,,,,,,,
,,,BMA BMA:C:1,valid,,,,,,
,,,BMA BMA:D:1,valid,,,,,,
,,5YLK,,,,,,,
,,,BMA BMA:E:1,valid,,,,,,
,,,BMA BMA:D:1,valid,,,,,,
,,,BMA BMA:F:1,valid,,,,,,
,,,BMA BMA:C:1,valid,,,,,,
,,,BMA:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,5YLI,,,,,,,
,,,BMA BMA BMA BMA:D:1,valid,,,,,O=CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1,
,,,BMA BMA BMA BMA:C:1,valid,,,,,O=CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1,
,,5YLL,,,,,,,
,,,BMA BMA BMA:D:1,valid,,,,,,
,,,BMA BMA BMA:C:1,valid,,,,,,
,Family. Representative Entry is ,5XKT,,,,,,,
,,,GNP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,NI:A:303,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1RVV,,,,,,,
,,,INI:1:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:2:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:3:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:4:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:A:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:B:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:C:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:D:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:E:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:F:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:G:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:H:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:I:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:J:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:K:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:L:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:M:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:N:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:O:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:P:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:Q:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:R:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:S:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:T:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:U:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:V:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:W:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:X:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:Y:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:Z:200,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,PO4:1:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:2:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:3:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:4:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:N:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:O:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Q:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:R:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:S:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:T:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:U:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:V:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:W:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:X:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Y:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:Z:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2IUT,,,,,,,
,,,MG:A:1724,Part of Protein,,,,,[Mg+2],
,,,MG:B:1723,Part of Protein,,,,,[Mg+2],
,,,AGS:A:1723,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:1724,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,6TMC,,,,,,,
,,,NL5:A:401,valid,ic50,=,0.53,uM,CC(C)OCc1c(nn[nH]1)CCS(=O)(=O)c2ccccc2,
,,,OH:A:404,invalid,,,,,[OH-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,IOD:A:405,invalid,,,,,[I-],
,,5LE1,,,,,,,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,6UW:A:503,valid,ic50,=,10.6,uM,c1cc2c(c(c1)C(=O)O)C(=O)N(C2)Cc3c(cccc3Cl)F,
,Family. Representative Entry is ,6AYB,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,KKK:A:508,valid,,,,,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,6AY6,,,,,,,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VOR:A:501,valid,,,,,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,Family. Representative Entry is ,6RYZ,,,,,,,
,,,SAM:C:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,2Q6K,,,,,,,
,,,ADN:A:699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,2Q6O,,,,,,,
,,,CL:A:284,invalid,,,,,[Cl-],
,,,CL:B:284,invalid,,,,,[Cl-],
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6RZ2,,,,,,,
,,,5CD:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,,,5CD:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,,,5CD:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,Family. Representative Entry is ,6JAV,,,,,,,
,,,BC0:A:2101,valid,Ki,=,1.72,uM,CN1Cc2c(c3c(nc(nc3s2)SCc4ccc(cc4)Cl)NCC=C)C=C1,
,,,NAG:A:2102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5Y2B,,,,,,,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ILE LYS THR GLU LEU LEU ASN PRO LYS ILE:A:1983,invalid,,,,,,
,,,NAG NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C.O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG NAG NAG:B:4,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,6JAW,,,,,,,
,,,NAG:A:2102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BBO:A:2101,valid,Ki,=,2.18,uM,c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4,
,,6JAX,,,,,,,
,,,GCS GCS GCS GCS GCS GCS GCS GCS:C:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])C(OC3C(O)C([NH3+])C(OC4C(O)C([NH3+])C(O)OC4CO)OC3CO)OC2CO)OC1CO)C1C([NH3+])C(O)C(OC2C([NH3+])C(O)C(OC3C([NH3+])C(O)C(OC4C([NH3+])C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6JAY,,,,,,,
,,,NAG:A:2101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,JUK:A:2102,valid,Ki,=,1.99,uM,c1cc(oc1)C[n+]2c(c(cc3c2N=C4C=CC=CN4C3=O)C(=O)NC[C@@H]5CCCO5)N,
,Family. Representative Entry is ,5KBZ,,,,,,,
,,,3B2:B:1701,valid,,,,,Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O,
,,,3B2:A:1701,valid,,,,,Cc1cc(no1)CSCc2cc(no2)CSCC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O,
,,3HRR,,,,,,,
,,,HC8:A:4000,valid,,,,,CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC,
,,,HC8:B:4000,valid,,,,,CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC,
,,3HRQ,,,,,,,
,,,PLM:A:4000,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:4000,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6F90,,,,,,,
,,,CA:B:801,Part of Protein,,,,,[Ca+2],
,,,CA:C:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,MVL:B:802,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:A:802,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:C:802,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,Family. Representative Entry is ,6NSD,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5MUL,,,,,,,
,,,BDP:A:501,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,Family. Representative Entry is ,5FRE,,,,,,,
,,,CA:B:213,Part of Protein,,,,,[Ca+2],
,,,CA:C:210,Part of Protein,,,,,[Ca+2],
,,,CA:C:211,Part of Protein,,,,,[Ca+2],
,,,CA:A:210,Part of Protein,,,,,[Ca+2],
,,,CA:A:212,Part of Protein,,,,,[Ca+2],
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CA:A:211,Part of Protein,,,,,[Ca+2],
,,,CA:B:214,Part of Protein,,,,,[Ca+2],
,,,1PG:B:1190,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:1190,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,ACT:B:1191,invalid,,,,,CC(=O)[O-],
,,,GAL SIA:E:1,valid,Kd,=,32,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:F:1,valid,Kd,=,32,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:D:1,valid,Kd,=,32,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,5FRA,,,,,,,
,,,ACT:B:1190,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1190,invalid,,,,,CC(=O)[O-],
,,,SIA:D:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:F:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:G:1,valid,Kd,=,68,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:I:1,valid,Kd,=,68,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:H:1,valid,Kd,=,68,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,5O58,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,IPA:A:421,invalid,,,,,CC(C)O,
,,,IPA:A:422,invalid,,,,,CC(C)O,
,,,IPA:A:423,invalid,,,,,CC(C)O,
,,,IPA:A:420,invalid,,,,,CC(C)O,
,,,IPA:A:419,invalid,,,,,CC(C)O,
,,,A   G  :B:1,valid,Kd,=,191,nM,,
,,,CL:A:425,invalid,,,,,[Cl-],
,,,CL:A:424,invalid,,,,,[Cl-],
,,5O1U,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,AMP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5O70,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,5O4Z,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A   A  :A:401,valid,Kd,=,860,nM,,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,5O7F,,,,,,,
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,5GP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4S00,,,,,,,
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,AKR:B:503,valid,,,,,C=CC(=O)O,
,,,AKR:A:503,valid,,,,,C=CC(=O)O,
,,,AKR:C:503,valid,,,,,C=CC(=O)O,
,,,AKR:B:504,valid,,,,,C=CC(=O)O,
,,4S01,,,,,,,
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:C:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,AKR:B:503,valid,,,,,C=CC(=O)O,
,,,AKR:D:503,valid,,,,,C=CC(=O)O,
,,,AKR:A:503,valid,,,,,C=CC(=O)O,
,,,AKR:C:503,valid,,,,,C=CC(=O)O,
,Family. Representative Entry is ,1ECM,,,,,,,
,,,TSA:A:500,valid,Kd,=,2.8,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:B:501,valid,Kd,=,2.8,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,Family. Representative Entry is ,6W1K,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OOG:B:402,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,OOG:A:402,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,OOG:C:404,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,OOG:D:402,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,NI:C:403,Part of Protein,,,,,[Ni+2],
,,,NI:D:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4QN6,,,,,,,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,LNV:A:511,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:B:511,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6ENO,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,BJ8:A:501,valid,,,,,S([Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S]71,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3BFV,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:296,invalid,,,,,[Mg+2],
,,,MG:B:276,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3P2H,,,,,,,
,,,MTA:A:204,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,NOO:A:300,valid,,,,,CCCCCCCC(=O)NC1=CC(=O)CCC1,
,Family. Representative Entry is ,5H6S,,,,,,,
,,,HDH:B:601,valid,,,,,c1cc(ccc1C(=O)NN)O,
,,,HDH:D:501,valid,,,,,c1cc(ccc1C(=O)NN)O,
,,,HDH:A:600,valid,,,,,c1cc(ccc1C(=O)NN)O,
,,,HDH:C:501,valid,,,,,c1cc(ccc1C(=O)NN)O,
,Family. Representative Entry is ,5X1M,,,,,,,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,DHB:B:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:A:501,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:A:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:C:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,TRS:C:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,THG:C:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,5X1L,,,,,,,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,THG:C:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,5X1J,,,,,,,
,,,VNL:B:501,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:A:501,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:C:501,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5X1K,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,7WR:B:501,valid,,,,,COc1cc(cc(c1O)O)C(=O)O,
,,,7WR:A:501,valid,,,,,COc1cc(cc(c1O)O)C(=O)O,
,,,7WR:C:501,valid,,,,,COc1cc(cc(c1O)O)C(=O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5X1N,,,,,,,
,,,THG:A:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,DHB:B:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:A:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1NWU,,,,,,,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG NDG:F:1,valid,,,,,,
,,,NAG NAG NAG NDG:L:1,valid,,,,,,
,,,NAG NAG NAG NDG:J:1,valid,,,,,,
,,,NDG NAG NAG NDG:H:1,valid,,,,,,
,,1NWT,,,,,,,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG NAG NDG NAG:F:1,valid,,,,,,
,,,NAG NAG NAG NAG NDG NAG:L:1,valid,,,,,,
,,,NAG NAG NAG NAG NDG NAG:J:1,valid,,,,,,
,,,NDG NAG NAG NDG NAG:H:1,valid,,,,,,
,,1HJW,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1385,invalid,,,,,C(C(CO)O)O,
,,,NAG:B:1383,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5WL0,,,,,,,
,,,21G:A:801,valid,Kd,=,0.67,nM,c1c(cnc2c1c(c[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F,
,,,PEG:A:802,invalid,,,,,C(COCCO)O,
,,5FMM,,,,,,,
,,,FLC:A:1677,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MGT:A:1676,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4A0S,,,,,,,
,,,CO8:A:1446,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:B:1447,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:C:1446,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CO8:D:1446,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:A:1447,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1446,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1445,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1445,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4UAA,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,3GK:A:302,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:301,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:A:301,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:302,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,Family. Representative Entry is ,5XKR,,,,,,,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,,BZE:A:201,valid,Kd,=,7,uM,c1ccc(cc1)c2nc(nc(n2)N)N,
,,,BZE:D:202,valid,Kd,=,7,uM,c1ccc(cc1)c2nc(nc(n2)N)N,
,,,BZE:C:202,valid,Kd,=,7,uM,c1ccc(cc1)c2nc(nc(n2)N)N,
,,,BZE:B:201,valid,Kd,=,7,uM,c1ccc(cc1)c2nc(nc(n2)N)N,
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,ACT:C:201,invalid,,,,,CC(=O)[O-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:C:204,invalid,,,,,CC(=O)[O-],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3O94,,,,,,,
,,,NCA:A:192,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:192,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:C:192,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:D:192,valid,,,,,c1cc(cnc1)C(=O)N,
,,,ZN:A:193,Part of Protein,,,,,[Zn+2],
,,,ZN:B:193,Part of Protein,,,,,[Zn+2],
,,,ZN:C:193,Part of Protein,,,,,[Zn+2],
,,,ZN:D:193,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FCU,,,,,,,
,,,AKG:A:897,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:898,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DSU:A:896,invalid,,,,,CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O,
,,2FCV,,,,,,,
,,,AKG:A:897,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:898,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BR:A:901,invalid,,,,,[Br-],
,,,BR:A:903,invalid,,,,,[Br-],
,,,BR:B:902,invalid,,,,,[Br-],
,,,BR:B:904,invalid,,,,,[Br-],
,,,DSU:A:896,invalid,,,,,CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O,
,,,FE2:A:900,Part of Protein,,,,,[Fe+2],
,,,FE2:B:899,Part of Protein,,,,,[Fe+2],
,,2FCT,,,,,,,
,,,AKG:A:897,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:898,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:B:902,invalid,,,,,[Cl-],
,,,CL:B:904,invalid,,,,,[Cl-],
,,,DSU:A:896,invalid,,,,,CCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)OC)O)O)O)O)O,
,,,FE2:A:900,Part of Protein,,,,,[Fe+2],
,,,FE2:B:899,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,2FSH,,,,,,,
,,,ANP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,2FSG,,,,,,,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2FSI,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1H65,,,,,,,
,,,GDP:A:281,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:281,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:281,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:282,Part of Protein,,,,,[Mg+2],
,,,MG:B:282,Part of Protein,,,,,[Mg+2],
,,,MG:C:282,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4WA4,,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,G39:A:501,valid,ic50,=,0.66,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,4WA5,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ZMR:A:501,valid,ic50,=,1.29,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,Family. Representative Entry is ,2Q1A,,,,,,,
,,,2KT:X:295,valid,,,,,CCC(=O)C(=O)O,
,,,MG:X:294,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5K5M,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,MES:A:1004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,68T:A:1003,valid,,,,,COc1cccc(c1)S(=O)(=O)NC(=O)c2cc(c(cc2OC)OC)c3ccc(s3)C#CCO,
,Family. Representative Entry is ,1XKQ,,,,,,,
,,,NDP:A:1281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:4281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4OAV,,,,,,,
,,,MG:D:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,PO4 PO4 A   A   A   A   PO4:A:1,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(OP(=O)(OCC2C(O)C(OP(=O)(OCC3C(O)C(OP(=O)(OCC4C(O)C(OP(=O)([O-])[O-])C(n5c6ncnc(N)c6nc5)O4)[O-])C(n4c5ncnc(N)c5nc4)O3)[O-])C(n3c4ncnc(N)c4nc3)O2)[O-])C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,PO4 PO4 A   A   A   A   PO4:C:1,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(OP(=O)(OCC2C(O)C(OP(=O)(OCC3C(O)C(OP(=O)(OCC4C(O)C(OP(=O)([O-])[O-])C(n5c6ncnc(N)c6nc5)O4)[O-])C(n4c5ncnc(N)c5nc4)O3)[O-])C(n3c4ncnc(N)c4nc3)O2)[O-])C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,ACP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,PUP:D:1004,valid,,,,,C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6BQ6,,,,,,,
,,,TER:B:402,valid,,,,,C(CCNCCCNCCCN)CN,
,,,TER:A:402,valid,,,,,C(CCNCCCNCCCN)CN,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,6BQ7,,,,,,,
,,,SPD:A:401,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:401,valid,,,,,C(CCNCCCN)CN,
,,6BQ5,,,,,,,
,,,B3P:B:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MTA:A:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6BQ4,,,,,,,
,,,MES:B:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,B3P:A:402,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,ADN:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6BQ3,,,,,,,
,,,DSH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N,
,,,DSH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N,
,Family. Representative Entry is ,1D5C,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5NGL,,,,,,,
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NOJ BGC:B:501,valid,,,,,O(CC1C(O)C(O)C(O)C[NH2+]1)C1C(O)C(O)C(O)C(CO)O1,
,,,NOJ BGC:A:501,valid,,,,,O(CC1C(O)C(O)C(O)C[NH2+]1)C1C(O)C(O)C(O)C(CO)O1,
,,,NOJ BGC:C:501,valid,,,,,O(CC1C(O)C(O)C(O)C[NH2+]1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1TQ4,,,,,,,
,,,GDP:A:500,valid,Kd,=,0.64,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,1TPZ,,,,,,,
,,,EDO:B:2000,invalid,,,,,C(CO)O,
,,,GDP:A:1500,valid,Kd,=,0.64,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2500,valid,Kd,=,0.64,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:B:2501,Part of Protein,,,,,[Mg+2],
,,,MPD:B:1000,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6F92,,,,,,,
,,,CL:C:803,invalid,,,,,[Cl-],
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:D:803,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:D:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,CA:C:802,Part of Protein,,,,,[Ca+2],
,,,CA:D:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,MVL:B:804,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:A:804,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:C:804,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:D:804,valid,,,,,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,NO3:D:807,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:806,invalid,,,,,[N+](=O)([O-])[O-],
,,,NA:D:801,Part of Protein,,,,,[Na+],
,,,NA:C:801,Part of Protein,,,,,[Na+],
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,NA:B:801,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6F0W,,,,,,,
,,,OGA:A:401,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6SIR,,,,,,,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:701,Part of Protein,,,,,[Ca+2],
,,,GTP:C:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,5OYH,,,,,,,
,,,GOL:I:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:703,invalid,,,,,C(C(CO)O)O,
,,,T99:I:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:K:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:O:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:G:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:J:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:C:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:H:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:N:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:L:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:F:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:P:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:E:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,T99:M:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:O:702,Part of Protein,,,,,[Ca+2],
,,,CA:M:702,Part of Protein,,,,,[Ca+2],
,,,CA:L:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:G:702,Part of Protein,,,,,[Ca+2],
,,,CA:J:704,Part of Protein,,,,,[Ca+2],
,,,CA:N:702,Part of Protein,,,,,[Ca+2],
,,,CA:E:702,Part of Protein,,,,,[Ca+2],
,,,CA:F:704,Part of Protein,,,,,[Ca+2],
,,,CA:D:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:H:702,Part of Protein,,,,,[Ca+2],
,,,CA:K:702,Part of Protein,,,,,[Ca+2],
,,,CA:I:703,Part of Protein,,,,,[Ca+2],
,,,CA:P:702,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5I39,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5FI3,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6IOX,,,,,,,
,,,ACO:B:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6S5M,,,,,,,
,,,KWH:A:401,valid,,,,,CCC[C@H]1c2c(c3ccccc3[nH]2)CCN1,
,,6S5J,,,,,,,
,,,KW8:A:401,valid,,,,,CC[C@H]1c2c(c3ccccc3[nH]2)CCN1,
,,6S5Q,,,,,,,
,,,KWQ:A:401,valid,,,,,CC(C)C[C@H]1c2c(c3ccccc3[nH]2)CCN1,
,,6S5U,,,,,,,
,,,KWK:D:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:C:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:A:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:E:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:B:403,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:C:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:D:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:B:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:F:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:E:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:F:401,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:B:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,,,KWK:A:402,valid,,,,,CC(C)CCNCCc1c[nH]c2c1cccc2,
,Family. Representative Entry is ,5DNC,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:D:605,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,ASN:B:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,5DND,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,ASN:A:700,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,5DNE,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,ASN:B:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:601,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,Family. Representative Entry is ,6B2W,,,,,,,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,AG2:B:401,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:A:401,valid,,,,,C(CCNC(=N)N)CN,
,Family. Representative Entry is ,6JON,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,DTP:A:401,valid,Kd,=,13.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,6JOP,,,,,,,
,,,TTP:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,6JOQ,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,DGT:A:401,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6M6P,,,,,,,
,,,GLC BGC BGC BGC:B:1,valid,Kd,=,28.7,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6WMV,,,,,,,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:C:303,Part of Protein,,,,,[Na+],
,,,OLC:C:305,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:308,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:307,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:309,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:306,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:308,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:307,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:311,invalid,,,,,C(C(CO)O)O,
,,,FLC:C:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,1PE:A:306,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:304,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,C5P:C:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,8K6:C:309,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:C:310,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:313,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:312,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:310,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:311,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,TCE:A:305,invalid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,LIP:A:301,valid,,,,,[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,Family. Representative Entry is ,2ZIF,,,,,,,
,,,SAM:A:298,valid,Kd,=,43,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:298,valid,Kd,=,43,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5N9M,,,,,,,
,,,PG4:A:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,GLN:A:301,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4YFB,,,,,,,
,,,GOL:L:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:602,invalid,,,,,C(C(CO)O)O,
,,,PAC:F:601,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,PAC:L:601,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,PAC:I:601,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,PAC:C:601,valid,,,,,c1ccc(cc1)CC(=O)O,
,,4YFA,,,,,,,
,,,DKA:I:601,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:L:601,invalid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:F:601,invalid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:C:601,valid,,,,,CCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1UX7,,,,,,,
,,,CA:A:1134,Part of Protein,,,,,[Ca+2],
,,,CA:A:1135,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1136,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP XYP XYP:B:1,valid,Kd,~,1,mM,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,2O0J,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2O0H,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5XSP,,,,,,,
,,,A   A  :A:703,valid,,,,,,
,,,A   A  :B:703,valid,,,,,,
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,5XSN,,,,,,,
,,,2BA:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,MN:B:702,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6X1Z,,,,,,,
,,,UL1:B:601,valid,,,,,COc1ccc(cc1OC)/C=C2/C(=O)NC(=S)S2,
,,,UL1:A:601,valid,,,,,COc1ccc(cc1OC)/C=C2/C(=O)NC(=S)S2,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MES:A:603,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:603,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4O24,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,2Q0:B:401,valid,,,,,CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S,
,,,2Q0:A:401,valid,,,,,CC(C)CN1C(=O)/C(=C/c2ccc(cc2)O)/SC1=S,
,,6ASC,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,BU7:A:403,valid,,,,,CCCCN1C(=O)/C(=Cc2ccc(cc2)O)/SC1=S,
,,,BU7:B:403,valid,,,,,CCCCN1C(=O)/C(=Cc2ccc(cc2)O)/SC1=S,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,4O4K,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,2PK:A:403,valid,,,,,[H]/N=C1/NC(=O)/C(=Cc2ccc(cc2)O)/S1,
,,,2PK:B:403,valid,,,,,[H]/N=C1/NC(=O)/C(=Cc2ccc(cc2)O)/S1,
,,6X1Y,,,,,,,
,,,MES:B:801,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:801,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,UKV:A:802,valid,,,,,COc1cccc(c1)/C=C2/C(=O)NC(=S)S2,
,,,UKV:B:802,valid,,,,,COc1cccc(c1)/C=C2/C(=O)NC(=S)S2,
,,4O5G,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,2PV:A:403,valid,,,,,[H]/N=C1/NC(=O)/C(=Cc2ccc(cc2)N)/S1,
,,,2PV:B:403,valid,,,,,[H]/N=C1/NC(=O)/C(=Cc2ccc(cc2)N)/S1,
,,4O43,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,2PW:A:403,valid,,,,,CC[C@@H](C)N1C(=O)/C(=Cc2ccc(cc2)O)/SC1=S,
,,,2PW:A:404,valid,,,,,CC[C@@H](C)N1C(=O)/C(=Cc2ccc(cc2)O)/SC1=S,
,Family. Representative Entry is ,5XHA,,,,,,,
,,,FRU FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU:A:704,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5J7Z,,,,,,,
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,BGC 18C GAL SIA NGA GAL:C:1,valid,,,,,O=C(NC(C(O)C=CCCCCCC)COC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(OC3C(NC(=O)C)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(CO)O3)C(CO)O2)C(CO)O1)CCCCCCCCCC,
,,5J14,,,,,,,
,,,BGC 18C GAL:D:1,valid,,,,,O=C(NC(C(O)C=CCCCCCCCCCCCCC)COC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)CCCCCCCCCCCCCCCCC,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,BGC 18C GAL SIA:C:1,valid,,,,,O=C(NC(C(O)C=CCCCCCCCCCCCCC)COC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)O1)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,2X9L,,,,,,,
,,,BOG:A:4001,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ZN:A:3001,Part of Protein,,,,,[Zn+2],
,,3DFK,,,,,,,
,,,DKA:A:400,valid,,,,,CCCCCCCCCC(=O)O,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6AZT,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,ALA ALA CE7:B:1,valid,,,,,O=C(NC(C(=O)NC(C(O)O)CC(=O)N)C)C([NH3+])C,
,Family. Representative Entry is ,3ATY,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ATZ,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:600,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:601,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:C:602,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:D:603,valid,,,,,c1cc(ccc1C=O)O,
,Family. Representative Entry is ,5E8B,,,,,,,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,NA:B:202,invalid,,,,,[Na+],
,,,BEN:B:201,valid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,5H4R,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1UPT,,,,,,,
,,,GTP:A:1182,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:G:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1183,Part of Protein,,,,,[Mg+2],
,,,MG:C:1182,Part of Protein,,,,,[Mg+2],
,,,MG:E:1182,Part of Protein,,,,,[Mg+2],
,,,MG:G:1182,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4HNN,,,,,,,
,,,LYS:D:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:E:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:H:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:F:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:G:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:401,valid,Kd,=,0.002,mM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4R2I,,,,,,,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5ML3,,,,,,,
,,,DL3:B:201,valid,Kd,=,203,pM,CNc1nccc(n1)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5,
,,5X72,,,,,,,
,,,P59:A:201,valid,Kd,=,467,nM,c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F,
,,,P69:A:202,valid,Kd,=,467,nM,c1ccc(cc1)N2[C@H](Nc3ccccc3C2=O)c4ccccc4F,
,,5ML2,,,,,,,
,,,NH6:B:201,valid,Kd,=,13,nM,c1ccc(cc1)CNS(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc3ccc(cc3)Cl)C4CCCC4,
,,5ML6,,,,,,,
,,,9GD:B:201,valid,Kd,=,358,pM,c1cc(ccc1CN(C2CCCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(c(c4)N)C(=O)O)CC5CCNCC5)Cl,
,,5X74,,,,,,,
,,,JAY:A:201,valid,Kd,=,2.3,nM,c1ccc(c(c1)[C@@H]2Nc3ccccc3C(=O)N2CCN4CCC(CC4)N5[C@@H](Nc6ccccc6C5=O)c7ccccc7F)F,
,,4JV6,,,,,,,
,,,18F:B:201,valid,Kd,=,217,nM,c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4,
,,,18F:B:202,valid,Kd,=,217,nM,c1ccc(cc1)Cn2c3ccccc3nc2c4ccccc4,
,,5ML4,,,,,,,
,,,RRQ:B:201,valid,Kd,<,2,nM,CNc1cc(ccc1C(=O)O)CN(CC2CCNCC2)S(=O)(=O)c3ccc(cc3)S(=O)(=O)N(Cc4ccc(cc4)Cl)C5CCCC5,
,,5E8F,,,,,,,
,,,LYS SER LYS THR CMT GER:D:851,valid,Kd,=,2.3,nM,S(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CCCC[NH3+])C(O)C)C(=O)OC)CCC(CCCC(CCCC(CCCC(C)C)C)C)C,
,,,LYS SER LYS THR CMT GER:E:851,valid,Kd,=,2.3,nM,S(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CCCC[NH3+])C(O)C)C(=O)OC)CCC(CCCC(CCCC(CCCC(C)C)C)C)C,
,,4JVB,,,,,,,
,,,1M0:B:201,valid,Kd,=,39,nM,C=CC[C@H](COc1ccc(cc1)c2nc3ccccc3n2Cc4ccccc4)n5c6ccccc6nc5c7ccccc7,
,,3T5I,,,,,,,
,,,CYS SER GLN GLN GLY LYS SER SER CMT FAR:R:12,valid,,,,,S(CC(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(=O)OC)CC=C(CCC=C(CCC=C(C)C)C)C,
,,,CYS SER GLN GLN GLY LYS SER SER CMT FAR:Q:12,valid,,,,,S(CC(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(=O)OC)CC=C(CCC=C(CCC=C(C)C)C)C,
,,,FAR:B:3010,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,FAR:C:4010,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,,4JVF,,,,,,,
,,,17X:B:201,valid,Kd,=,10,nM,c1ccc(cc1)Cn2c3ccccc3nc2N4CCC(CC4)C(=O)OC[C@H](C5CCNCC5)n6c7ccccc7nc6c8ccccc8,
,,5X73,,,,,,,
,,,P59:A:201,valid,Kd,=,184,nM,c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F,
,,,P59:A:202,valid,Kd,=,184,nM,c1ccc(cc1)N2[C@@H](Nc3ccccc3C2=O)c4ccccc4F,
,,4JV8,,,,,,,
,,,1M1:B:201,valid,,,,,c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5,
,,,1M1:B:202,valid,,,,,c1ccc2c(c1)-c3nc4ccccc4n3[C@@H](N2)c5ccccn5,
,Family. Representative Entry is ,2VF7,,,,,,,
,,,ADP:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP MG:C:902,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,ZN:C:904,Part of Protein,,,,,[Zn+2],
,,,ZN:C:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EDL,,,,,,,
,,,MPG:A:203,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:202,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,VIB:A:201,valid,Kd,=,4.5,nM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,Family. Representative Entry is ,4AR8,,,,,,,
,,,ZN:A:1731,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1731,Part of Protein,,,,,[Zn+2],
,,,CA:B:1732,Part of Protein,,,,,[Ca+2],
,,,CA:A:1732,Part of Protein,,,,,[Ca+2],
,,,IP8 GLY PRO ALA:D:0,valid,,,,,P(=O)(OCCC(C)C)([O-])NCC=O.O=C([O-])C(NC(=O)C1[NH2+]CCC1)C,
,,,IP8 GLY PRO ALA:C:0,valid,,,,,P(=O)(OCCC(C)C)([O-])NCC=O.O=C([O-])C(NC(=O)C1[NH2+]CCC1)C,
,Family. Representative Entry is ,5D4Y,,,,,,,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,3ZF8,,,,,,,
,,,MN:A:1396,Part of Protein,,,,,[Mn+2],
,,,GDP:A:1395,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5G48,,,,,,,
,,,1FL:B:1375,valid,,,,,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,,,1FL:A:1375,valid,,,,,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,Family. Representative Entry is ,3RK0,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3B0P,,,,,,,
,,,FMN:A:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3B0U,,,,,,,
,,,FMN:X:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:Y:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,G   G   H2U A:A:18,Part of Protein,,,,,,
,,,G   G   H2U A:B:18,Part of Protein,,,,,,
,Family. Representative Entry is ,4O1F,,,,,,,
,,,THG:B:4000,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:A:3000,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,4O1E,,,,,,,
,,,C2F:A:3000,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:4000,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,6EOA,,,,,,,
,,,FMN:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4JEJ,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,1GP:A:301,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5FR0,,,,,,,
,,,PO4:A:1586,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SIZ:A:1585,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)F)O)O)O,
,,5FQF,,,,,,,
,,,NGA:B:1586,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1589,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1588,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:1585,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,FMT:A:1592,invalid,,,,,C(=O)O,
,,,FMT:A:1591,invalid,,,,,C(=O)O,
,,,FMT:A:1595,invalid,,,,,C(=O)O,
,,,FMT:B:1601,invalid,,,,,C(=O)O,
,,,FMT:A:1593,invalid,,,,,C(=O)O,
,,,FMT:B:1589,invalid,,,,,C(=O)O,
,,,FMT:A:1594,invalid,,,,,C(=O)O,
,,,FMT:B:1587,invalid,,,,,C(=O)O,
,,,FMT:A:1600,invalid,,,,,C(=O)O,
,,,FMT:B:1591,invalid,,,,,C(=O)O,
,,,FMT:B:1590,invalid,,,,,C(=O)O,
,,,FMT:B:1600,invalid,,,,,C(=O)O,
,,,FMT:B:1588,invalid,,,,,C(=O)O,
,,,FMT:A:1590,invalid,,,,,C(=O)O,
,,,FMT:A:1596,invalid,,,,,C(=O)O,
,,5FQG,,,,,,,
,,,FMT:A:1591,invalid,,,,,C(=O)O,
,,,FMT:A:1592,invalid,,,,,C(=O)O,
,,,FMT:A:1590,invalid,,,,,C(=O)O,
,,,FMT:A:1593,invalid,,,,,C(=O)O,
,,,GAL NGA:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,5FQH,,,,,,,
,,,PO4:A:1589,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC GAL NGA:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,3QVL,,,,,,,
,,,5HY:A:1,valid,,,,,C([C@@H]1C(=O)NC(=O)N1)C(=O)O,
,,,5HY:B:1,valid,,,,,C([C@@H]1C(=O)NC(=O)N1)C(=O)O,
,,3QVK,,,,,,,
,,,2AL:A:451,valid,,,,,C1(=O)C(=NC(=O)N1)NC(=O)N,
,,,2AL:B:451,valid,,,,,C1(=O)C(=NC(=O)N1)NC(=O)N,
,Family. Representative Entry is ,5AJU,,,,,,,
,,,SO4:A:1242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RP5:A:1241,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5E62,,,,,,,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,Z3Q GAL 5N6:M:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OC2C(O)C(OC3C(O)C(CO)OC(OCCN=[N+]=[N-])C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])O1)C,
,,,Z3Q GAL 5N6:H:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OC2C(O)C(OC3C(O)C(CO)OC(OCCN=[N+]=[N-])C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])O1)C,
,,,NAG:D:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5NCJ,,,,,,,
,,,SIN:A:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:302,valid,,,,,C(CC(=O)O)C(=O)O,
,,,HL5:B:303,valid,,,,,C[C@H](C[C@@H](C(=O)O)N)CO,
,,,HL5:A:303,valid,,,,,C[C@H](C[C@@H](C(=O)O)N)CO,
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,5NCI,,,,,,,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,LEU:B:303,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:A:303,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5I79,,,,,,,
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:402,invalid,,,,,C(COCCOCCO)O,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1A59,,,,,,,
,,,CIT:A:379,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,COA:A:380,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6B0K,,,,,,,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,G4S 9RN G4S 9RN G4S:C:503,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
,,,G4S 9RN G4S 9RN G4S:B:502,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,9RN G4S 9RN G4S:A:502,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(O)OC2CO3)OC1CO)[O-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CIT:A:506,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ARG:A:507,invalid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,6B0J,,,,,,,
,,,ARG:A:512,invalid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:509,invalid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,TRS:A:511,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:512,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,G4S 9RN DGS G4S:G:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(O)OC2CO3)OC1CO)[O-],
,,,G4S DGS:E:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(O)C(O2)CO3)C(O)C(O)OC1CO)[O-],
,,,G4S G4S 9RN DGS G4S 9RN:C:502,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(OC4C(O)C(OC5C(O)C6C(O)C(O5)CO6)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
,,,G4S G4S 9RN DGS G4S 9RN:A:502,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(OC4C(O)C(OC5C(O)C6C(O)C(O5)CO6)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
,,,G4S G4S 9RN DGS G4S 9RN:A:502,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(OC4C(O)C(OC5C(O)C6C(O)C(O5)CO6)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
,Family. Representative Entry is ,5O3N,,,,,,,
,,,4LU:A:508,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:B:504,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5FUI,,,,,,,
,,,GOL:A:131,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1386,Part of Protein,,,,,[Mg+2],
,,,APY:A:132,valid,,,,,c1ccnc(c1)CN,
,,,APY:A:133,valid,,,,,c1ccnc(c1)CN,
,Family. Representative Entry is ,5HQA,,,,,,,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,FMT:A:709,invalid,,,,,C(=O)O,
,,,FMT:A:711,invalid,,,,,C(=O)O,
,,,FMT:A:708,invalid,,,,,C(=O)O,
,,,FMT:A:710,invalid,,,,,C(=O)O,
,,,UNX:A:712,invalid,,,,,*,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,5HQB,,,,,,,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:714,invalid,,,,,C(=O)O,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,UNX:A:715,invalid,,,,,*,
,Family. Representative Entry is ,5FJN,,,,,,,
,,,BE2:B:1476,valid,Kd,=,18.4,mM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:1476,valid,Kd,=,18.4,mM,c1ccc(c(c1)C(=O)O)N,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5FJM,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4XZ3,,,,,,,
,,,ACP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,COA:C:504,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4LCQ,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,URQ:A:603,valid,,,,,C[C@@H](CNC(=O)N)C(=O)O,
,,4LCR,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,URP:A:601,valid,,,,,C(CNC(=O)N)C(=O)O,
,,4LCS,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,HYN:A:603,valid,,,,,C1C(=O)NC(=O)N1,
,Family. Representative Entry is ,5XIO,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ANP:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HFG:A:801,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:B:802,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,Family. Representative Entry is ,5CQG,,,,,,,
,,,55C:A:601,valid,,,,,C/C(=CC(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2,
,,,55C:B:601,valid,,,,,C/C(=CC(=O)Nc1ccccc1C(=O)O)/c2ccc3ccccc3c2,
,Family. Representative Entry is ,6EUW,,,,,,,
,,,BYB:A:501,valid,Kd,=,0.017,uM,c1c(cnc2c1c(n[nH]2)c3ncc(c(n3)N[C@@H]4[C@H](C5CCC4CC5)C(=O)O)F)F,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,4CB7,,,,,,,
,,,GOL:B:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1478,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1479,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1480,invalid,,,,,C(C(CO)O)O,
,,,41G:B:1481,valid,,,,,Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)O)O,
,,4CB5,,,,,,,
,,,CL:A:1485,invalid,,,,,[Cl-],
,,,CL:A:1487,invalid,,,,,[Cl-],
,,,CL:A:1486,invalid,,,,,[Cl-],
,,,93G:A:1484,valid,Kd,=,13,uM,Cn1c[n+](c2c1C(=O)NC(=N2)N)CC(=O)c3ccc(c(c3)C(=O)N)O,
,,4NCE,,,,,,,
,,,MGT:A:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,11H:A:502,invalid,,,,,c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O,
,,,11H:A:503,invalid,,,,,c1cc2c(cc1S(=O)(=O)O)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O,
,,4CB4,,,,,,,
,,,CL:A:1485,invalid,,,,,[Cl-],
,,,CL:A:1487,invalid,,,,,[Cl-],
,,,CL:A:1486,invalid,,,,,[Cl-],
,,,MGT:A:1484,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,4EQK,,,,,,,
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,,MGT:A:502,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,4CB6,,,,,,,
,,,IOD:B:1486,invalid,,,,,[I-],
,,,IOD:A:1485,invalid,,,,,[I-],
,,,IOD:A:1490,invalid,,,,,[I-],
,,,IOD:B:1485,invalid,,,,,[I-],
,,,IOD:B:1484,invalid,,,,,[I-],
,,,IOD:A:1488,invalid,,,,,[I-],
,,,IOD:A:1486,invalid,,,,,[I-],
,,,IOD:A:1487,invalid,,,,,[I-],
,,,IOD:A:1489,invalid,,,,,[I-],
,,,IOD:A:1484,invalid,,,,,[I-],
,,,IOD:B:1489,invalid,,,,,[I-],
,,,IOD:B:1487,invalid,,,,,[I-],
,,,IOD:B:1488,invalid,,,,,[I-],
,,,29R:A:1483,valid,,,,,Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O,
,,,29R:B:1483,valid,,,,,Cn1c[n+](c2c1C(=O)NC(=N2)NCCCCC(=O)O)CCCCC(=O)O,
,,3WI1,,,,,,,
,,,MGT:A:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,5F79,,,,,,,
,,,4V7:A:4000,valid,,,,,c1c(cnc2c1c(c([nH]2)CO)c3ncc(c(n3)N[C@H]4CCC[C@H](C4)NC(=O)N5CCCC5)F)F,
,,4ES5,,,,,,,
,,,MGT:C:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:A:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:D:501,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4W8B,,,,,,,
,,,BGC BGC BGC XYS XYS:C:1,valid,,,,,,
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GLC BGC BGC XYS BGC XYS XYS GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,5JM8,,,,,,,
,,,ATP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:G:601,Part of Protein,,,,,[Mg+2],
,,,MG:H:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6E1J,,,,,,,
,,,KMT:A:603,valid,,,,,CSCCC(=O)C(=O)O,
,,,KMT:B:602,valid,,,,,CSCCC(=O)C(=O)O,
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,COA:A:604,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,7CU1,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6SLS,,,,,,,
,,,FAD:A:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:604,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:B:605,Part of Protein,,,,,[K+],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,7CU0,,,,,,,
,,,TRP:A:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,7CU2,,,,,,,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3AHO,,,,,,,
,,,3A2:A:566,valid,Ki,=,88.9,nM,CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O,
,,,3A2:B:566,valid,Ki,=,88.9,nM,CCCCC(C(=O)O)NC(=O)C1CCCN1C(=O)CC[P@](=O)([C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)CN)O,
,,,ACT:A:567,invalid,,,,,CC(=O)[O-],
,,,ACT:A:568,invalid,,,,,CC(=O)[O-],
,,,ACT:A:569,invalid,,,,,CC(=O)[O-],
,,,ACT:B:567,invalid,,,,,CC(=O)[O-],
,,,ACT:B:568,invalid,,,,,CC(=O)[O-],
,,,ZN:A:565,Part of Protein,,,,,[Zn+2],
,,,ZN:B:565,Part of Protein,,,,,[Zn+2],
,,3AHN,,,,,,,
,,,3A1:A:565,valid,Ki,=,90.1,nM,C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O,
,,,3A1:B:566,valid,Ki,=,90.1,nM,C[C@H](C[P@](=O)([C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)O)C(=O)NC(CCCCN)C(=O)N[C@H](CO)C(=O)O,
,,,ACT:A:567,invalid,,,,,CC(=O)[O-],
,,,ACT:A:568,invalid,,,,,CC(=O)[O-],
,,,ACT:B:567,invalid,,,,,CC(=O)[O-],
,,,ACT:B:568,invalid,,,,,CC(=O)[O-],
,,,ACT:B:569,invalid,,,,,CC(=O)[O-],
,,,ZN:A:566,Part of Protein,,,,,[Zn+2],
,,,ZN:B:565,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3KXW,,,,,,,
,,,1ZZ:A:589,valid,,,,,CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3LNV,,,,,,,
,,,1ZZ:A:589,valid,,,,,CCCCCCCCCCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,POP:A:590,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,4B16,,,,,,,
,,,MPD:A:1279,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:1275,valid,Ka,=,2900,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1276,valid,Ka,=,2900,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:1280,Part of Protein,,,,,[Na+],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ACT:A:1274,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2UVF,,,,,,,
,,,ACT:B:1626,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1627,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1628,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1629,invalid,,,,,CC(=O)[O-],
,,,NI:A:1613,Part of Protein,,,,,[Ni+2],
,,,NI:A:1614,Part of Protein,,,,,[Ni+2],
,,,NI:A:1615,Part of Protein,,,,,[Ni+2],
,,,NI:A:1616,Part of Protein,,,,,[Ni+2],
,,,NI:B:1620,Part of Protein,,,,,[Ni+2],
,,,NI:B:1621,Part of Protein,,,,,[Ni+2],
,,,NI:B:1622,Part of Protein,,,,,[Ni+2],
,,,NI:B:1623,Part of Protein,,,,,[Ni+2],
,,,NI:B:1624,Part of Protein,,,,,[Ni+2],
,,,NI:B:1625,Part of Protein,,,,,[Ni+2],
,,,PEG:B:1630,invalid,,,,,C(COCCO)O,
,,,PEG:B:1631,invalid,,,,,C(COCCO)O,
,,,SO4:A:1607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4ZO3,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,C6L:A:403,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,,,C6L:B:403,valid,,,,,CCCCCC(=O)N[C@@H](CCO)C(=O)O,
,Family. Representative Entry is ,3ZO7,,,,,,,
,,,K6H:H:1093,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:J:1093,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:A:1093,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:G:1095,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:E:1092,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:I:1094,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:D:1092,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:F:1093,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:B:1095,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,K6H:C:1097,valid,,,,,C1=CC(=O)O[C@H]1[C@@H](C(=O)O)Cl,
,,,CL:A:1095,invalid,,,,,[Cl-],
,,,CL:C:1095,invalid,,,,,[Cl-],
,,,CL:F:1092,invalid,,,,,[Cl-],
,,,CL:G:1096,invalid,,,,,[Cl-],
,,,CL:E:1093,invalid,,,,,[Cl-],
,,,CL:C:1096,invalid,,,,,[Cl-],
,,,CL:H:1094,invalid,,,,,[Cl-],
,,,CL:J:1094,invalid,,,,,[Cl-],
,,,CL:B:1097,invalid,,,,,[Cl-],
,,,CL:D:1093,invalid,,,,,[Cl-],
,,,CL:B:1096,invalid,,,,,[Cl-],
,,,CL:A:1094,invalid,,,,,[Cl-],
,,,CL:B:1098,invalid,,,,,[Cl-],
,,,CL:I:1093,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1ZGD,,,,,,,
,,,NAP:A:755,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1755,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6RYK,,,,,,,
,,,CTP:A:502,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:502,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2F99,,,,,,,
,,,AKV:A:1335,valid,,,,,CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O,
,,,AKV:B:1334,valid,,,,,CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O,
,,,AKV:C:1333,valid,,,,,CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O,
,,,AKV:D:1336,valid,,,,,CCC(C[C@H](c1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)CC(=O)OC)O)O,
,,,SO4:A:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1286,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1285,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2F98,,,,,,,
,,,NGV:A:333,valid,,,,,CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC,
,,,NGV:B:336,valid,,,,,CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC,
,,,NGV:C:335,valid,,,,,CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC,
,,,NGV:D:334,valid,,,,,CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC,
,,,SO4:A:276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:277,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3WJP,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,BEN:A:405,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:406,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:417,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:416,invalid,,,,,C(COCCOCCO)O,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3WJR,,,,,,,
,,,BEN:A:402,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:401,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:411,invalid,,,,,C(COCCO)O,
,,,MG:A:412,Part of Protein,,,,,[Mg+2],
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,,AMP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3WJQ,,,,,,,
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,BEN:A:405,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:412,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:418,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:417,invalid,,,,,C(COCCOCCO)O,
,,,ATP:A:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:419,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:416,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3FZG,,,,,,,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6J1F,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,THG:A:602,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,Family. Representative Entry is ,2P8B,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,NSK:A:501,valid,,,,,C(CCN)C[C@@H](C(=O)O)NC(=O)CCC(=O)O,
,,2P8C,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,SUG:A:501,valid,,,,,C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CNC(=N)N,
,Family. Representative Entry is ,4GR5,,,,,,,
,,,APC:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,TLA:A:602,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:602,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:603,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:602,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:602,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:603,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,4ZNL,,,,,,,
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BEF ADP:C:302,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,BEF ADP:B:302,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,BEF ADP:A:302,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5BVA,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,5BUL,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5EQU,,,,,,,
,,,AKG:B:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,5R6:B:302,valid,,,,,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O,
,,,5R6:C:302,valid,,,,,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O,
,,,5R6:D:302,valid,,,,,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O,
,,,5R6:A:302,valid,,,,,C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@]([C@@H](c3c2c(c4c(c3)C(=O)c5c(c(cc6c5O[C@H]7C[C@@H]([C@@H]([C@@]6(O7)C)O)N(C)C)O)C4=O)O)C(=O)OC)(C)O)O)O,
,,,FE:C:300,Part of Protein,,,,,[Fe+3],
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:D:300,Part of Protein,,,,,[Fe+3],
,,,FE:B:300,Part of Protein,,,,,[Fe+3],
,,5EP9,,,,,,,
,,,AKG:B:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FE:C:302,Part of Protein,,,,,[Fe+3],
,,,FE:B:302,Part of Protein,,,,,[Fe+3],
,,,FE:D:302,Part of Protein,,,,,[Fe+3],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5K3W,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GAB:A:402,valid,,,,,c1cc(cc(c1)N)C(=O)O,
,Family. Representative Entry is ,3LDW,,,,,,,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:B:1106,invalid,,,,,C(CO)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1105,invalid,,,,,C(C(CO)O)O,
,,,IPE:A:1101,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1101,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:C:1101,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:D:1101,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:B:1103,Part of Protein,,,,,[Mg+2],
,,,MG:B:1104,Part of Protein,,,,,[Mg+2],
,,,MG:C:1102,Part of Protein,,,,,[Mg+2],
,,,MG:C:1103,Part of Protein,,,,,[Mg+2],
,,,MG:C:1104,Part of Protein,,,,,[Mg+2],
,,,MG:D:1102,Part of Protein,,,,,[Mg+2],
,,,MG:D:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1104,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:397,valid,Ki,=,10.7,nM,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,ZOL:B:397,valid,Ki,=,10.7,nM,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,ZOL:C:397,valid,Ki,=,10.7,nM,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,ZOL:D:397,valid,Ki,=,10.7,nM,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,3PH7,,,,,,,
,,,GRG:A:1502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:1502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:C:1502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:D:1502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,5HN7,,,,,,,
,,,04M:B:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:A:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:F:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:D:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:E:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:H:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:G:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,,04M:C:401,valid,ic50,=,120,uM,CCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)S(=O)(=O)N3CCOCC3,
,,5HN9,,,,,,,
,,,04W:B:401,valid,ic50,=,50,uM,CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-],
,,,04W:C:401,valid,ic50,=,50,uM,CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-],
,,,04W:D:401,valid,ic50,=,50,uM,CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-],
,,,04W:A:401,valid,ic50,=,50,uM,CCCCCCCCCCOc1cccc(c1)COc2ccc(cc2C(=O)O)[N+](=O)[O-],
,Family. Representative Entry is ,6W1H,,,,,,,
,,,OOG:A:501,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,NI:A:500,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,2D3M,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2D52,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3X27,,,,,,,
,,,TRP:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5MF5,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,C2E:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,5MFU,,,,,,,
,,,G   G  :A:503,valid,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2PO3,,,,,,,
,,,T4K:A:1500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T4K:B:2500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,Family. Representative Entry is ,5WX3,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5WX6,,,,,,,
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:D:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:405,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5WX7,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5D9O,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5D9M,,,,,,,
,,,GLC BGC BGC XYS BGC XYS XYS:C:1,valid,,,,,,
,,5D9N,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,BGC BGC BGC XYS BGC XYS XYS:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,5D9P,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,NBG BGC BGC XYS BGC XYS XYS:F:1,invalid,,,,,O=C(NC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)CO5)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)O1)C,
,,,NBG BGC BGC XYS BGC XYS XYS:C:1,valid,,,,,O=C(NC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)CO5)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)O1)C,
,,,NBG BGC BGC XYS BGC XYS XYS:D:1,invalid,,,,,O=C(NC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)CO5)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)O1)C,
,,,NBG BGC BGC XYS BGC XYS XYS:E:1,valid,,,,,O=C(NC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)CO5)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)O1)C,
,Family. Representative Entry is ,5AB7,,,,,,,
,,,SO4:D:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MLC:F:1412,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:A:1410,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:E:1411,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:D:1411,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:B:1410,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:C:1413,valid,Kd,=,90,uM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,5AB6,,,,,,,
,,,SO4:D:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAA:E:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:A:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:F:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:1409,valid,Kd,=,0.9,mM,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5MBC,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5MBJ,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5MBD,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5NBY,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5M27,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,5MBK,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,5MBH,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5MBE,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5M2A,,,,,,,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,FMN:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5XK9,,,,,,,
,,,GST:H:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:A:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:B:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:E:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:F:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:D:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:G:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:C:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:F:500,Part of Protein,,,,,[Mg+2],
,,,MG:H:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:G:500,Part of Protein,,,,,[Mg+2],
,,,MG:E:500,Part of Protein,,,,,[Mg+2],
,,,MG:C:500,Part of Protein,,,,,[Mg+2],
,,,MG:D:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,DMA:E:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:D:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:G:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:A:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:C:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:F:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:H:502,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,5XK7,,,,,,,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,POP:A:302,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:302,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:302,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:302,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:303,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,DMA:D:303,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:C:303,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:303,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5XK8,,,,,,,
,,,GPP:A:501,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:C:501,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:B:501,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:D:501,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5Z54,,,,,,,
,,,0HZ:B:303,valid,,,,,NULL,
,,,0HZ:A:303,valid,,,,,NULL,
,,,0HZ:C:303,valid,,,,,NULL,
,,,0HZ:D:303,valid,,,,,NULL,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6R2J,,,,,,,
,,,TRS:C:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3N94,,,,,,,
,,,SO4:A:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4WNB,,,,,,,
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:B:201,invalid,,,,,[Cd+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,4BN:A:203,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4LPS,,,,,,,
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MLI:A:308,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:309,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:308,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,NI:A:304,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4M6T,,,,,,,
,,,SAM:A:201,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4X8D,,,,,,,
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:515,invalid,,,,,[Cl-],
,,,MG:A:506,invalid,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,invalid,,,,,[Mg+2],
,,,3GC:B:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,3GC:A:501,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N,
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,AVI:A:502,valid,,,,,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,,AVI:B:502,valid,,,,,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,,CA:A:517,Part of Protein,,,,,[Ca+2],
,,,CA:B:511,Part of Protein,,,,,[Ca+2],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4X8E,,,,,,,
,,,FE:B:508,Part of Protein,,,,,[Fe+3],
,,,FE:A:515,Part of Protein,,,,,[Fe+3],
,,,MG:B:510,Part of Protein,,,,,[Mg+2],
,,,MG:A:517,invalid,,,,,[Mg+2],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,AVJ:B:501,valid,,,,,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,,AVJ:A:501,valid,,,,,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CA:A:516,Part of Protein,,,,,[Ca+2],
,,,CA:B:509,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6EXS,,,,,,,
,,,OLC:A:512,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:513,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:503,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:505,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:504,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:502,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:501,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:507,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,C3H:A:514,valid,ic50,=,362,uM,CCC[C@@](C)(CCO)SC[C@@H](C(=O)NCC(=O)O)N,
,Family. Representative Entry is ,5DGR,,,,,,,
,,,GCS:B:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,GCS:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3O0F,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,FE:A:303,Part of Protein,,,,,[Fe+3],
,,,FE:A:304,Part of Protein,,,,,[Fe+3],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3S1S,,,,,,,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:915,invalid,,,,,C(CO)O,
,,,EDO:A:916,invalid,,,,,C(CO)O,
,,,EDO:A:917,invalid,,,,,C(CO)O,
,,,EDO:A:918,invalid,,,,,C(CO)O,
,,,EDO:A:919,invalid,,,,,C(CO)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,IOD:A:931,invalid,,,,,[I-],
,,,IOD:A:932,invalid,,,,,[I-],
,,,IOD:A:933,invalid,,,,,[I-],
,,,IOD:A:934,invalid,,,,,[I-],
,,,IOD:A:935,invalid,,,,,[I-],
,,,IOD:A:936,invalid,,,,,[I-],
,,,IOD:A:937,invalid,,,,,[I-],
,,,IOD:A:938,invalid,,,,,[I-],
,,,IOD:A:939,invalid,,,,,[I-],
,,,IOD:A:940,invalid,,,,,[I-],
,,,IOD:A:941,invalid,,,,,[I-],
,,,IOD:A:942,invalid,,,,,[I-],
,,,IOD:A:943,invalid,,,,,[I-],
,,,IOD:A:944,invalid,,,,,[I-],
,,,IOD:A:945,invalid,,,,,[I-],
,,,IOD:A:946,invalid,,,,,[I-],
,,,IOD:A:947,invalid,,,,,[I-],
,,,IOD:A:948,invalid,,,,,[I-],
,,,IOD:A:949,invalid,,,,,[I-],
,,,IOD:A:950,invalid,,,,,[I-],
,,,IOD:A:951,invalid,,,,,[I-],
,,,IOD:A:952,invalid,,,,,[I-],
,,,IOD:A:953,invalid,,,,,[I-],
,,,IOD:A:954,invalid,,,,,[I-],
,,,IOD:A:955,invalid,,,,,[I-],
,,,IOD:A:956,invalid,,,,,[I-],
,,,IOD:A:957,invalid,,,,,[I-],
,,,IOD:A:958,invalid,,,,,[I-],
,,,IOD:A:959,invalid,,,,,[I-],
,,,IOD:A:960,invalid,,,,,[I-],
,,,IOD:A:961,invalid,,,,,[I-],
,,,IOD:A:962,invalid,,,,,[I-],
,,,IOD:A:963,invalid,,,,,[I-],
,,,IOD:A:964,invalid,,,,,[I-],
,,,IOD:A:965,invalid,,,,,[I-],
,,,IOD:A:966,invalid,,,,,[I-],
,,,IOD:A:967,invalid,,,,,[I-],
,,,IOD:A:968,invalid,,,,,[I-],
,,,MN:A:930,Part of Protein,,,,,[Mn+2],
,,,SAH:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6K4D,,,,,,,
,,,D4F:A:601,valid,,,,,c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,,ESJ:A:602,valid,,,,,c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O,
,,6K4C,,,,,,,
,,,SLU:A:601,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2XI7,,,,,,,
,,,MN:A:1184,Part of Protein,,,,,[Mn+2],
,,,MN:A:1185,Part of Protein,,,,,[Mn+2],
,,,MN:B:1184,Part of Protein,,,,,[Mn+2],
,,,MN:B:1185,Part of Protein,,,,,[Mn+2],
,,,MN:C:1184,Part of Protein,,,,,[Mn+2],
,,,MN:C:1185,Part of Protein,,,,,[Mn+2],
,,,MN:D:1184,Part of Protein,,,,,[Mn+2],
,,,MN:D:1185,Part of Protein,,,,,[Mn+2],
,,,XI7:A:1186,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:B:1186,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:C:1186,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:D:1186,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,Family. Representative Entry is ,4LBP,,,,,,,
,,,1WG:A:201,valid,Kd,=,11.4,uM,C1=C(C(=O)C=C(C1=O)O)O,
,Family. Representative Entry is ,6LOP,,,,,,,
,,,ELX:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C,
,,,ELX:B:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C,
,,6LOO,,,,,,,
,,,ELR:A:401,valid,,,,,C[C@@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,,ELR:B:401,valid,,,,,C[C@@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,,ELU:A:402,valid,,,,,C[C@H](CC/C=C(C)/CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,6EC8,,,,,,,
,,,J4G:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)[C@H](CCC(=O)O)N)O)N,
,Family. Representative Entry is ,3RHZ,,,,,,,
,,,CL:B:330,invalid,,,,,[Cl-],
,,,UDP:A:7517,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:7517,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3QKW,,,,,,,
,,,UDP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5TB5,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,GDP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FAR:C:201,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,FAR:A:201,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,5CX6,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:720,Part of Protein,,,,,[Mg+2],
,,,CDP:B:713,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:A:721,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:719,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:718,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4PMZ,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,4PN2,,,,,,,
,,,XYP XYP XYP:B:402,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:A:402,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,4PMY,,,,,,,
,,,XYP:A:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2W58,,,,,,,
,,,ADP:A:1310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1311,Part of Protein,,,,,[Mg+2],
,,,PO4:B:2305,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4QN7,,,,,,,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,G39:A:508,valid,ic50,=,0.84,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:508,valid,ic50,=,0.84,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4XYM,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:501,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,COA:A:508,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:508,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,A12:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,4YAK,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACO:C:500,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4XYL,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:C:501,invalid,,,,,[Cl-],
,,,COA:A:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4YBZ,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,ADP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4YB8,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:C:501,invalid,,,,,[Na+],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,,ADP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4Y8V,,,,,,,
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:C:601,invalid,,,,,[Mg+2],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,,ADP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:300,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5HBR,,,,,,,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:502,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:C:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6GI2,,,,,,,
,,,NO3:A:303,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:303,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,8SW:A:302,valid,,,,,C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O,
,,,8SW:B:302,valid,,,,,C#CCNC(=O)[C@H](CNC(=O)[C@H](CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O,
,,,FE:A:301,invalid,,,,,[Fe+3],
,,,FE:B:301,invalid,,,,,[Fe+3],
,,6GI1,,,,,,,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,NO3:B:302,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:303,invalid,,,,,[N+](=O)([O-])[O-],
,,,EB4:B:309,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O,
,,,DBS:A:302,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,FE:A:301,invalid,,,,,[Fe+3],
,,,FE:B:301,invalid,,,,,[Fe+3],
,Family. Representative Entry is ,5W8E,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SXZ:A:301,valid,,,,,CC(C)CC(=O)N[C@@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)C(=O)O,
,,,ADE:A:304,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5W8A,,,,,,,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,A1S:A:301,valid,,,,,CC(C)CCSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5W8G,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5W8C,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,MTA:A:302,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,IVC:A:301,valid,,,,,CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5W8D,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,MTA:A:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6P63,,,,,,,
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,AMP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6XRC,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5YZ2,,,,,,,
,,,AMP:A:301,valid,Kd,=,11.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:301,valid,Kd,=,11.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4C1W,,,,,,,
,,,TRS:A:1306,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GAL SIA:B:1,valid,,,,,,
,Family. Representative Entry is ,6GR0,,,,,,,
,,,F8W:A:201,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,F8W:B:201,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,F8W:B:203,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,F8W:B:204,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,F8W:C:203,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,F8W:C:201,valid,Kd,=,88,pM,c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O)O,
,,,GA:C:204,Part of Protein,,,,,[Ga+3],
,,,GA:C:205,Part of Protein,,,,,[Ga+3],
,,,GA:B:206,Part of Protein,,,,,[Ga+3],
,,,GA:B:205,Part of Protein,,,,,[Ga+3],
,Family. Representative Entry is ,6DNT,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,EPZ:A:402,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,Family. Representative Entry is ,3E1T,,,,,,,
,,,CL:A:513,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4PSR,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,NA:B:606,Part of Protein,,,,,[Na+],
,,,NA:A:619,Part of Protein,,,,,[Na+],
,,,NA:B:605,Part of Protein,,,,,[Na+],
,,,TRS:B:604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:616,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:618,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:617,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FUL:A:622,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:609,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6O9P,,,,,,,
,,,MG:A:609,Part of Protein,,,,,[Mg+2],
,,,MG:A:608,Part of Protein,,,,,[Mg+2],
,,,MG:A:610,invalid,,,,,[Mg+2],
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,BFQ:A:601,valid,,,,,CCCCC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,4UA7,,,,,,,
,,,3GK:A:301,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:302,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:A:302,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:301,valid,,,,,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3HIY,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,7JID,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,AWU:B:301,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,AWU:A:301,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,NAP:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6LRD,,,,,,,
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,,,MN:A:802,Part of Protein,,,,,[Mn+2],
,,,ASP LEU PRO PHE:B:208,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C=O)Cc2ccccc2)CCC1)CC(C)C)C([NH3+])CC(=O)[O-],
,,,3DR DT  DT  DT  DT  DT :C:1,valid,Kd,=,28.43,nM,P(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(O)CC(N4C(=O)NC(=O)C(C)=C4)O3)[O-])CC(N3C(=O)NC(=O)C(C)=C3)O2)[O-])CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)(OC3C(COP(=O)([O-])[O-])OCC3)[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(N2C(=O)NC(=O)C(C)=C2)C1)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JAY,,,,,,,
,,,F42:A:214,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:214,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,NA:A:215,Part of Protein,,,,,[Na+],
,,,NA:B:1215,Part of Protein,,,,,[Na+],
,,,NAP:A:213,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:213,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4URG,,,,,,,
,,,C2E:A:1240,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:1241,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4UCI,,,,,,,
,,,GOL:B:2412,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2411,invalid,,,,,C(C(CO)O)O,
,,,ADN:A:2414,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:2415,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GTP:A:2410,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:2410,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ZN:A:2408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2408,Part of Protein,,,,,[Zn+2],
,,,SAM:A:2409,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:2409,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5DKY,,,,,,,
,,,NOJ:A:1000,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,5DKZ,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5DL0,,,,,,,
,,,MAN GLC:B:1,valid,,,,,,
,Family. Representative Entry is ,5MM0,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,LDA:A:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:406,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:405,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:404,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GDD:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,5MLZ,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,LDA:A:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:410,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:406,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:405,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:409,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:404,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3PY5,,,,,,,
,,,AMP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TLA:A:304,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3MD7,,,,,,,
,,,5GP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,TLA:A:304,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3QH8,,,,,,,
,,,AMP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TLA:A:304,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3PY6,,,,,,,
,,,5GP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,TAR:A:304,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5Y2C,,,,,,,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,NAG NAG MAN MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG MAN MAN MAN MAN:D:1,invalid,,,,,,
,Family. Representative Entry is ,4RP9,,,,,,,
,,,BNG:A:504,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:502,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:503,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,TGL:A:505,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,
,,,1PE:A:507,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:506,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ASC:A:501,valid,Kd,=,6.1,uM,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,4RP8,,,,,,,
,,,ASC:C:501,valid,Kd,=,6.1,uM,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ASC:A:501,valid,Kd,=,6.1,uM,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,BNG:C:502,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3REU,,,,,,,
,,,ATP:A:298,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:295,Part of Protein,,,,,[Mg+2],
,,,MG:A:296,Part of Protein,,,,,[Mg+2],
,,,MG:A:297,Part of Protein,,,,,[Mg+2],
,,,MG:B:296,Part of Protein,,,,,[Mg+2],
,,,MG:B:297,Part of Protein,,,,,[Mg+2],
,,,MG:B:298,Part of Protein,,,,,[Mg+2],
,,3RL6,,,,,,,
,,,AMP:A:296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:297,Part of Protein,,,,,[Mg+2],
,,3REX,,,,,,,
,,,AMP:A:295,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:295,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:296,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5E65,,,,,,,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG:D:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL 5N6:M:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])O1)C,
,,,GAL 5N6:H:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])O1)C,
,Family. Representative Entry is ,5Y1G,,,,,,,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AKB:A:401,valid,,,,,CC(=O)[C@@H](C(=O)O)N,
,,5Y1F,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5Y1E,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SER:A:402,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,5FYR,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,INS:D:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:C:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:A:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5BZ4,,,,,,,
,,,COA:H:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:K:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3DC4,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,3DCB,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3RK1,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2CZL,,,,,,,
,,,K:A:601,Part of Protein,,,,,[K+],
,,,TLA:A:401,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,XPE:A:501,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,3A3U,,,,,,,
,,,7PE:A:501,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,K:A:301,Part of Protein,,,,,[K+],
,,,TLA:A:401,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3W9Z,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4ZRB,,,,,,,
,,,COA:E:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:H:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5TSH,,,,,,,
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,,ZN:F:601,Part of Protein,,,,,[Zn+2],
,,,ZN:E:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ADP:F:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5W10,,,,,,,
,,,CMP:B:201,valid,Kd,=,0.24,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:201,valid,Kd,=,0.24,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:201,valid,Kd,=,0.24,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:201,valid,Kd,=,0.24,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,3HLF,,,,,,,
,,,SIM:A:500,valid,,,,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,3HLG,,,,,,,
,,,LVA:A:500,valid,,,,,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,3HLE,,,,,,,
,,,DTT:A:414,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MJA:A:500,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,
,,3HLD,,,,,,,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:A:415,invalid,,,,,C(=O)O,
,,,FMT:A:416,invalid,,,,,C(=O)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,MJA:A:501,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,
,,,MJA:A:502,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O,
,Family. Representative Entry is ,5K21,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,6QF:A:201,valid,,,,,c1ccc2c(c1)nc3cccc(c3n2)O,
,,,6QF:B:201,valid,,,,,c1ccc2c(c1)nc3cccc(c3n2)O,
,,,6QF:C:201,valid,,,,,c1ccc2c(c1)nc3cccc(c3n2)O,
,Family. Representative Entry is ,5NTD,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:G:603,Part of Protein,,,,,[Mn+2],
,,,MN:L:604,Part of Protein,,,,,[Mn+2],
,,,MN:D:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:L:603,Part of Protein,,,,,[Mn+2],
,,,MN:J:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:I:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:603,Part of Protein,,,,,[Mn+2],
,,,MN:J:603,Part of Protein,,,,,[Mn+2],
,,,MN:I:603,Part of Protein,,,,,[Mn+2],
,,,MN:F:603,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:603,Part of Protein,,,,,[Mn+2],
,,,MN:E:603,Part of Protein,,,,,[Mn+2],
,,,MN:K:602,Part of Protein,,,,,[Mn+2],
,,,MN:K:603,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,BES:L:605,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:C:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:K:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:F:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:A:605,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:D:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:J:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:H:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:I:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:G:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:E:604,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BCT:G:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:K:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:F:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:L:606,invalid,,,,,C(=O)(O)[O-],
,,,BCT:I:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:606,invalid,,,,,C(=O)(O)[O-],
,,,BCT:J:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:H:605,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:605,invalid,,,,,C(=O)(O)[O-],
,,,EPE:L:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:E:601,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,3DR4,,,,,,,
,,,EDO:B:1260,invalid,,,,,C(CO)O,
,,,EDO:B:1261,invalid,,,,,C(CO)O,
,,,G4M:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,,G4M:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,,G4M:C:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,,G4M:D:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,3BN1,,,,,,,
,,,ACT:A:372,invalid,,,,,CC(=O)[O-],
,,,ACT:C:372,invalid,,,,,CC(=O)[O-],
,,,ACT:D:372,invalid,,,,,CC(=O)[O-],
,,,AKG:A:374,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NA:A:373,Part of Protein,,,,,[Na+],
,,3DR7,,,,,,,
,,,EDO:B:1040,invalid,,,,,C(CO)O,
,,,EDO:D:1041,invalid,,,,,C(CO)O,
,,,GPD:A:500,valid,,,,,C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N,
,,,GPD:A:501,valid,,,,,C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N,
,,,GPD:D:500,valid,,,,,C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N,
,,,GPD:D:501,valid,,,,,C[C@@H]1[C@H](C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)N,
,Family. Representative Entry is ,1Q19,,,,,,,
,,,APC:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,SSC:A:506,valid,,,,,C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O,
,,,SSC:B:506,valid,,,,,C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O,
,,,SSC:C:506,valid,,,,,C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O,
,,,SSC:D:506,valid,,,,,C1C[C@H](N[C@@H]1CC(=O)O)C(=O)O,
,Family. Representative Entry is ,4P4M,,,,,,,
,,,DA  DT  DA  DC  DT  DG :E:6,invalid,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,DC  DA  DG  DT  DA :D:1,invalid,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,D3T:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,6J1J,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,THG:A:602,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,6J1I,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6J1G,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6J1E,,,,,,,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6J0P,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2QGI,,,,,,,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,UDP:B:800,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4IKM,,,,,,,
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4POO,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6FBT,,,,,,,
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG AH0 ALA DGL API DAL DAL:E:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C2OC(C1NC(=O)C)OC2)C)C)CO)C(=O)NC(C(=O)NC(CO)C)C,
,Family. Representative Entry is ,4IKZ,,,,,,,
,,,AFS:A:607,valid,,,,,C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5YIF,,,,,,,
,,,8VR:B:501,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O,
,,,8VR:A:501,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)O)O)O)C(=O)O,
,Family. Representative Entry is ,4NRT,,,,,,,
,,,2NG:A:601,valid,ic50,=,1000,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,4LQ9,,,,,,,
,,,21D:A:601,valid,,,,,c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O,
,,,21D:A:602,valid,,,,,c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,7CCG,,,,,,,
,,,MET:A:301,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,5CD:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,Family. Representative Entry is ,5BUK,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6SLF,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,ACT:D:404,invalid,,,,,CC(=O)[O-],
,,,ACT:C:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,LJ8:A:403,valid,,,,,C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O,
,,,LJ8:B:403,valid,,,,,C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O,
,,,LJ8:C:403,valid,,,,,C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O,
,,,LJ8:D:403,valid,,,,,C[C@@H](CCc1ccccc1)CCP(=O)(C[C@@H](CCC(=O)N)C(=O)O)O,
,,,BTB:D:405,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,Family. Representative Entry is ,2XA2,,,,,,,
,,,UPG:A:1415,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:1415,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2XMP,,,,,,,
,,,UDP:A:7517,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:7517,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6CUL,,,,,,,
,,,FGD:D:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:H:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:E:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:C:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:F:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,FGD:G:301,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(N3)N,
,,,CIT:C:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:H:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4CYI,,,,,,,
,,,ATP:E:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:1000,Part of Protein,,,,,[Mg+2],
,,,MG:D:1000,Part of Protein,,,,,[Mg+2],
,,,MG:F:1000,Part of Protein,,,,,[Mg+2],
,,,MG:H:1000,Part of Protein,,,,,[Mg+2],
,,,MG:E:1000,Part of Protein,,,,,[Mg+2],
,,,MG:C:1000,Part of Protein,,,,,[Mg+2],
,,,MG:G:1000,Part of Protein,,,,,[Mg+2],
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TIC,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,NAG:B:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZMR:A:1002,valid,ic50,=,1.36,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:1002,valid,ic50,=,1.36,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:C:1002,valid,ic50,=,1.36,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:D:1002,valid,ic50,=,1.36,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,3TIA,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,LNV:A:801,valid,ic50,=,3.12,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:B:801,valid,ic50,=,3.12,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:C:801,valid,ic50,=,3.12,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:D:801,valid,ic50,=,3.12,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG:B:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3TIB,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,LVO:A:801,valid,ic50,=,129,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,LVO:B:801,valid,ic50,=,129,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,LVO:C:801,valid,ic50,=,129,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,LVO:D:801,valid,ic50,=,129,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:L:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6MFX,,,,,,,
,,,APC:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,9EF:A:2000,invalid,,,,,CC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O,
,,,VAL:A:2002,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,6MFW,,,,,,,
,,,PO4:A:1305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VAL:A:1304,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,FON:A:1302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,APC MG :A:1303,valid,,,,,P(=O)(OP(=O)([O-])CP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])([O-])[O-].[Mg+2],
,,,MG:A:1306,invalid,,,,,[Mg+2],
,,,JQG:A:1301,invalid,,,,,CC(C)[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(=O)O)O)NC=O,
,Family. Representative Entry is ,4KQP,,,,,,,
,,,GLN:A:501,valid,Kd,=,0.9,uM,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6UL2,,,,,,,
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:C:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4J7H,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,TRH:A:502,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:502,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TLO:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,,TLO:B:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)O,
,,4J7G,,,,,,,
,,,1JB:A:502,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,1JB:B:502,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:501,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:A:501,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,Family. Representative Entry is ,5M60,,,,,,,
,,,NA:A:906,Part of Protein,,,,,[Na+],
,,,BGC:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3HJ1,,,,,,,
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4AZC,,,,,,,
,,,MG:A:2044,invalid,,,,,[Mg+2],
,,,MG:A:2043,invalid,,,,,[Mg+2],
,,,MG:C:2042,invalid,,,,,[Mg+2],
,,,MG:B:2045,invalid,,,,,[Mg+2],
,,,MG:C:2044,Part of Protein,,,,,[Mg+2],
,,,MG:A:2045,Part of Protein,,,,,[Mg+2],
,,,MG:C:2043,invalid,,,,,[Mg+2],
,,,MG:A:2046,Part of Protein,,,,,[Mg+2],
,,,EDO:C:2045,invalid,,,,,C(CO)O,
,,,EDO:C:2047,invalid,,,,,C(CO)O,
,,,EDO:C:2046,invalid,,,,,C(CO)O,
,,,EDO:A:2047,invalid,,,,,C(CO)O,
,,,NGW:D:2040,valid,Kd,=,1.38,uM,C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGW:A:2042,valid,Kd,=,1.38,uM,C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGW:B:2044,valid,Kd,=,1.38,uM,C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,,,NGW:C:2041,valid,Kd,=,1.38,uM,C[C@H]1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O,
,Family. Representative Entry is ,3CBC,,,,,,,
,,,DBS:A:301,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:B:302,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:C:303,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,NA:A:180,Part of Protein,,,,,[Na+],
,,,NA:B:180,Part of Protein,,,,,[Na+],
,,,NA:C:182,Part of Protein,,,,,[Na+],
,,,NA:C:183,Part of Protein,,,,,[Na+],
,,,NA:C:184,Part of Protein,,,,,[Na+],
,,,SO4:A:179,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:179,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:179,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:181,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3HW5,,,,,,,
,,,AMP:A:257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,MG:C:999,Part of Protein,,,,,[Mg+2],
,,,MG:D:999,Part of Protein,,,,,[Mg+2],
,,3HW4,,,,,,,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,MG:C:999,Part of Protein,,,,,[Mg+2],
,,,MG:D:999,Part of Protein,,,,,[Mg+2],
,,,TMP:A:257,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:257,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:257,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,3HW3,,,,,,,
,,,MG:A:999,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,MG:C:999,Part of Protein,,,,,[Mg+2],
,,,MG:D:999,Part of Protein,,,,,[Mg+2],
,,,U5P:A:257,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1TU3,,,,,,,
,,,GNP:A:1202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:2202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:3202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:4202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:5202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:B:2201,Part of Protein,,,,,[Mg+2],
,,,MG:C:3201,Part of Protein,,,,,[Mg+2],
,,,MG:D:4201,Part of Protein,,,,,[Mg+2],
,,,MG:E:5201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5JJR,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,PEG:A:1008,invalid,,,,,C(COCCO)O,
,,,PEG:A:1014,invalid,,,,,C(COCCO)O,
,,,PEG:A:1010,invalid,,,,,C(COCCO)O,
,,,SAH:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,68E:A:1004,valid,ic50,=,0.016,uM,Cc1cc(c(cc1C(=O)NS(=O)(=O)c2cccc3c2nccc3)c4ccc(s4)C#CCO)OC,
,,,MG:A:1006,Part of Protein,,,,,[Mg+2],
,,4V0Q,,,,,,,
,,,ACT:A:1888,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1887,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1889,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1885,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1886,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1884,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:1051,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,4V0R,,,,,,,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:1889,invalid,,,,,C(=O)O,
,,,FMT:A:1887,invalid,,,,,C(=O)O,
,,,FMT:A:1888,invalid,,,,,C(=O)O,
,,,GTP:A:1884,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SAH:A:1051,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,MG:A:1886,invalid,,,,,[Mg+2],
,,,MG:A:1885,Part of Protein,,,,,[Mg+2],
,,5JJS,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,SAH:A:1009,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,PEG:A:1006,invalid,,,,,C(COCCO)O,
,,,PEG:A:1003,invalid,,,,,C(COCCO)O,
,,,PEG:A:1015,invalid,,,,,C(COCCO)O,
,,,PEG:A:1012,invalid,,,,,C(COCCO)O,
,,,6L2:A:1004,valid,ic50,=,0.048,uM,COc1cc(c(cc1c2ccc(s2)C#CCO)C(=O)NS(=O)(=O)[C@@H]3CCC[C@H](C3)OC)OC,
,Family. Representative Entry is ,5UAO,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:D:602,invalid,,,,,[Cl-],
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5D6J,,,,,,,
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,ATP:A:702,valid,Kd,=,36,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5C2F,,,,,,,
,,,JTH:A:503,valid,,,,,CC(C)C1=CC=C(C(=O)C(=C1)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2QJN,,,,,,,
,,,KDG:A:2001,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:B:2002,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:C:2003,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:D:2004,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,,2QJM,,,,,,,
,,,CS2:A:2001,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
,,,CS2:B:2002,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
,,,CS2:C:2003,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
,,,CS2:D:2004,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6M12,,,,,,,
,,,J60:B:802,valid,ic50,=,7.6,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C/2c3cc(ccc3NC2=O)Cl)C,
,,,J60:A:801,valid,ic50,=,7.6,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C/2c3cc(ccc3NC2=O)Cl)C,
,,,25L:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,,25L:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4O1P,,,,,,,
,,,ANP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,,,25L:C:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,,25L:D:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,,25L:A:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,,25L:B:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)O)O)N,
,,6M11,,,,,,,
,,,25A:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N,
,,,25A:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5ncnc6N)CO[P@@](=O)(O)O[C@@H]7[C@@H]([C@H](O[C@H]7n8cnc9c8ncnc9N)COP(=O)(O)O)O)O)O)O)N,
,,,B49:A:1001,valid,ic50,=,33,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,B49:B:802,valid,ic50,=,33,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,PO4:B:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5MIL,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,DUP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5KD8,,,,,,,
,,,NA:A:906,Part of Protein,,,,,[Na+],
,,,NA:A:905,Part of Protein,,,,,[Na+],
,,,NI:A:904,Part of Protein,,,,,[Ni+2],
,,,NI:A:903,Part of Protein,,,,,[Ni+2],
,,,TNR:A:902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)N)CO)O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4YSL,,,,,,,
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,GSH:A:302,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5BUV,,,,,,,
,,,CYT:B:203,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,CYT:A:203,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:204,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1UUY,,,,,,,
,,,CU1:A:1169,invalid,,,,,[Cu+],
,,,FMT:A:1168,invalid,,,,,C(=O)O,
,,,IMD:A:1167,invalid,,,,,c1c[nH+]c[nH]1,
,,,MTE AMP:A:1164,valid,,,,,,
,,,PPI:A:1166,valid,,,,,CCC(=O)O,
,,1UUX,,,,,,,
,,,CU1:A:1168,invalid,,,,,[Cu+],
,,,FMT:A:1167,invalid,,,,,C(=O)O,
,,,IMD:A:1166,invalid,,,,,c1c[nH+]c[nH]1,
,,,MTE:A:1164,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,PPI:A:1165,valid,,,,,CCC(=O)O,
,Family. Representative Entry is ,5DFM,,,,,,,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2MJP,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3N6M,,,,,,,
,,,GTP:A:464,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NI:A:463,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1NX4,,,,,,,
,,,AKG:A:280,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:281,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:282,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:B:300,Part of Protein,,,,,[Fe+3],
,,,FE:C:300,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6C92,,,,,,,
,,,EQJ:A:401,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,EGV:C:401,valid,,,,,[H]/N=C(/N)NC[C@H](CC(=O)C(=O)O)O,
,,,EGV:B:401,valid,,,,,[H]/N=C(/N)NC[C@H](CC(=O)C(=O)O)O,
,Family. Representative Entry is ,5A6B,,,,,,,
,,,OAN:C:1627,valid,Ki,=,7.9,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:B:1627,valid,Ki,=,7.9,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:A:1627,valid,Ki,=,7.9,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,OAN:D:1627,valid,Ki,=,7.9,nM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O/C1=NOC(=O)Nc2ccccc2)CO)O)O,
,,,MG:C:1628,invalid,,,,,[Mg+2],
,,,MG:B:1628,Part of Protein,,,,,[Mg+2],
,,,MG:A:1628,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4OXI,,,,,,,
,,,GAP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)([O-])OC(=O)C[NH3+])O)O)N,
,Family. Representative Entry is ,3AWJ,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5NKN,,,,,,,
,,,LOC:A:201,valid,Kd,=,120,pM,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,Family. Representative Entry is ,2HI8,,,,,,,
,,,BR:X:1001,invalid,,,,,[Br-],
,,,BR:X:1002,invalid,,,,,[Br-],
,,,BR:X:1003,invalid,,,,,[Br-],
,,,BR:X:1004,invalid,,,,,[Br-],
,,,BR:X:1005,invalid,,,,,[Br-],
,,,BR:X:1006,invalid,,,,,[Br-],
,,,BR:X:1007,invalid,,,,,[Br-],
,,,BR:X:1008,invalid,,,,,[Br-],
,,,BR:X:1009,invalid,,,,,[Br-],
,,,BR:X:1010,invalid,,,,,[Br-],
,,,BR:X:1011,invalid,,,,,[Br-],
,,,BR:X:1012,invalid,,,,,[Br-],
,,,BR:X:1013,invalid,,,,,[Br-],
,,,BR:X:1014,invalid,,,,,[Br-],
,,,BR:X:1015,invalid,,,,,[Br-],
,,,CA:X:1016,Part of Protein,,,,,[Ca+2],
,,,CA:X:1017,Part of Protein,,,,,[Ca+2],
,,,CL:X:1018,invalid,,,,,[Cl-],
,,,CYS THR PRO SER ARG:P:1,valid,,,,,,
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5YVK,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,0HZ:A:301,valid,,,,,NULL,
,Family. Representative Entry is ,3P4X,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:1,invalid,,,,,[Cl-],
,,,MG:A:799,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5B6I,,,,,,,
,,,ADN:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MET:B:301,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:301,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3C1O,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5VGS,,,,,,,
,,,9A7:A:202,valid,,,,,C/C=C/CO,
,,,9A4:A:201,valid,,,,,C/C=CCO,
,Family. Representative Entry is ,4C91,,,,,,,
,,,REL:A:1856,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,FLC:A:1855,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2FAV,,,,,,,
,,,APR:B:477,valid,Kd,=,24,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,5ZFJ,,,,,,,
,,,9BF:B:303,valid,,,,,CC(=O)CCc1c[nH]c2c1cccc2,
,,,9BF:C:303,valid,,,,,CC(=O)CCc1c[nH]c2c1cccc2,
,,,9BF:D:304,valid,,,,,CC(=O)CCc1c[nH]c2c1cccc2,
,,,9BF:A:304,valid,,,,,CC(=O)CCc1c[nH]c2c1cccc2,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,TRS:A:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,5Z53,,,,,,,
,,,0HZ:B:303,valid,,,,,NULL,
,,,0HZ:A:303,valid,,,,,NULL,
,,,0HZ:C:303,valid,,,,,NULL,
,,,0HZ:D:303,valid,,,,,NULL,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4HZX,,,,,,,
,,,CA:A:507,invalid,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,G39:A:508,valid,ic50,=,0.5,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,4HZZ,,,,,,,
,,,G39:A:509,valid,ic50,=,8.31,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:508,invalid,,,,,[Ca+2],
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,4I00,,,,,,,
,,,ZMR:A:509,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:508,invalid,,,,,[Ca+2],
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,4HZW,,,,,,,
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:508,invalid,,,,,[Ca+2],
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,LNV:A:509,valid,ic50,=,1.31,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,Family. Representative Entry is ,5UV1,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,0FV:A:704,valid,Ki,=,2.4,uM,CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)F)/C)C,
,,5UV2,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,LA6:A:704,valid,Ki,=,39.5,uM,CC(=CCC/C(=C(CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C,
,Family. Representative Entry is ,6HPF,,,,,,,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACY:A:506,invalid,,,,,CC(=O)O,
,,,CL:A:514,invalid,,,,,[Cl-],
,,,MAN BMA GLA BMA GLA:B:1,valid,,,,,,
,Family. Representative Entry is ,5XXM,,,,,,,
,,,LGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,PG4:A:803,invalid,,,,,C(COCCOCCOCCO)O,
,,5XXN,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,,GLC:A:804,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PG4:A:806,invalid,,,,,C(COCCOCCOCCO)O,
,,5XXO,,,,,,,
,,,BGC:C:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PG4:A:804,invalid,,,,,C(COCCOCCOCCO)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4URS,,,,,,,
,,,MES:A:1250,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,C2E:B:1249,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:1252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:1252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:1251,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,GOL:A:1249,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1250,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4URX,,,,,,,
,,,FMT:S:2048,invalid,,,,,C(=O)O,
,,,HXY:S:2047,valid,Kd,=,1.3,mM,c1cc(ccc1CN2CCCC2)Br,
,,,FK1:S:2046,valid,Kd,=,6,mM,c1cc(cc2c1cc[nH]2)Br,
,,4URZ,,,,,,,
,,,VJP:R:1167,valid,Kd,=,3,mM,c1cc(ccc1N)S(=O)(=O)N2CCCCC2=O,
,,4URY,,,,,,,
,,,RV1:S:2046,valid,Kd,=,6,mM,c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2,
,,,RV1:R:1167,valid,Kd,=,6,mM,c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2,
3.6.3.24,,,,,,,,,
,Family. Representative Entry is ,1ZLQ,,,,,,,
,,,ACT:A:1502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1505,invalid,,,,,CC(=O)[O-],
,,,CL:A:1509,invalid,,,,,[Cl-],
,,,CL:A:1510,invalid,,,,,[Cl-],
,,,CL:A:1511,invalid,,,,,[Cl-],
,,,CL:A:1512,invalid,,,,,[Cl-],
,,,CL:B:1506,invalid,,,,,[Cl-],
,,,DTT:A:1514,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,EDT:A:1513,valid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,EDT:B:1511,valid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,,FE:A:1501,invalid,,,,,[Fe+3],
,,,FE:B:1502,invalid,,,,,[Fe+3],
,,,GOL:A:1515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DP8,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:C:504,invalid,,,,,CC(=O)[O-],
,,,ACT:C:505,invalid,,,,,CC(=O)[O-],
,,,ACT:C:506,invalid,,,,,CC(=O)[O-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,HCT:A:511,valid,,,,,C(CC(=O)O)[C@H](CC(=O)O)C(=O)O,
,,,HCT:B:511,valid,,,,,C(CC(=O)O)[C@H](CC(=O)O)C(=O)O,
,,,HCT:C:509,valid,,,,,C(CC(=O)O)[C@H](CC(=O)O)C(=O)O,
,,,NI:A:503,Part of Protein,,,,,[Ni+2],
,,,NI:B:503,Part of Protein,,,,,[Ni+2],
,,,NI:C:503,Part of Protein,,,,,[Ni+2],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7A0C,,,,,,,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,MG:B:608,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,MG:B:607,Part of Protein,,,,,[Mg+2],
,,,MG:B:609,Part of Protein,,,,,[Mg+2],
,,,MG:A:617,Part of Protein,,,,,[Mg+2],
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,FE:A:601,invalid,,,,,[Fe+3],
,,,FE:B:602,invalid,,,,,[Fe+3],
,,,QTT:B:601,valid,,,,,Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O,
,,,QTT:A:602,valid,,,,,Cc1cccc(n1)CN(C)[C@H]2CCCC[C@@H]2N(Cc3cccc(n3)C)CC(=O)O,
,,,CL:B:611,invalid,,,,,[Cl-],
,,4I8C,,,,,,,
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,ACT:B:614,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:608,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:B:609,invalid,,,,,CC(=O)[O-],
,,,ACT:C:606,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,ACT:B:607,invalid,,,,,CC(=O)[O-],
,,,ACT:C:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,ACT:C:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:B:605,invalid,,,,,CC(=O)[O-],
,,,CL:B:604,invalid,,,,,[Cl-],
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,HIS:C:601,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:602,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:601,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:602,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:601,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:602,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,SO4:B:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NI:C:603,Part of Protein,,,,,[Ni+2],
,,,NI:B:603,Part of Protein,,,,,[Ni+2],
,,,NI:A:603,Part of Protein,,,,,[Ni+2],
1.7.1.2,,,,,,,,,
,Family. Representative Entry is ,2BII,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,MTV:A:1479,valid,,,,,C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O,
,,,MTV:B:1479,valid,,,,,C(C1=C2C(=C3[C@@H](O1)NC4=NC(=NC(=O)C4=N3)N)S[Mo@-](=O)(S2)O)OP(=O)(O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:B:603,Part of Protein,,,,,[Na+],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.248,,,,,,,,,
,Family. Representative Entry is ,3O26,,,,,,,
,,,NDP:A:312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.4.23.32,,,,,,,,,
,Family. Representative Entry is ,2IFW,,,,,,,
,,,ACE PHE LYS PHE PSA LEU AAR:C:501,valid,Ki,=,0.12,nM,O=C(NC(C(=O)N)CCC[NH+]=C(N)N)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CCCC[NH3+])Cc1ccccc1)Cc1ccccc1)CC(C)C,
,,,ACE PHE LYS PHE PSA LEU AAR:D:501,valid,Ki,=,0.12,nM,O=C(NC(C(=O)N)CCC[NH+]=C(N)N)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CCCC[NH3+])Cc1ccccc1)Cc1ccccc1)CC(C)C,
,,,ACY:A:398,invalid,,,,,CC(=O)O,
,,,ACY:B:400,invalid,,,,,CC(=O)O,
,,,GOL:A:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:397,invalid,,,,,C(C(CO)O)O,
,,2IFR,,,,,,,
,,,ACE PHE LYS PHE TA2 ALA LEU ARG NH2:B:501,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)CCCC[NH3+])Cc1ccccc1)c1ccccc1)C)CC(C)C)CCCNC(=[NH2+])N,
,,,ACY:A:437,invalid,,,,,CC(=O)O,
,,1S2K,,,,,,,
,,,ALA ILE HIS:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)Cc1nc[nH]c1,
,,,TYR:A:1001,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
3.4.21.5,,,,,,,,,
,Family. Representative Entry is ,3UTU,,,,,,,
,,,1TS:H:901,valid,Ki,=,0.012,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)NCc3ccc(cc3)C#N)NS(=O)(=O)c4ccc(c(c4)Cl)OC)N,
,,,NA:H:902,Part of Protein,,,,,[Na+],
,,,NA:H:903,Part of Protein,,,,,[Na+],
,,4BAQ,,,,,,,
,,,NA:B:1288,Part of Protein,,,,,[Na+],
,,,NA:B:1289,Part of Protein,,,,,[Na+],
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,M4Z:B:1287,valid,Ki,=,0.98,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCC)N,
,,2C8Z,,,,,,,
,,,C2A:B:1250,valid,ic50,>,1,mM,c1cc(cc(c1)Cl)CN,
,,,DMS:B:1249,invalid,,,,,CS(=O)C,
,,,NA:B:1248,Part of Protein,,,,,[Na+],
,,1C1W,,,,,,,
,,,BAH:H:410,valid,,,,,c1cc2c(cc1C(=[NH2+])N)[nH]c(n2)C(c3[nH]c4cc(ccc4n3)C(=[NH2+])N)(O)O,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,,ZN:H:254,Part of Protein,,,,,[Zn+2],
,,,ZN:H:255,Part of Protein,,,,,[Zn+2],
,,,ZN:L:249,Part of Protein,,,,,[Zn+2],
,,4BAH,,,,,,,
,,,NA:B:1293,Part of Protein,,,,,[Na+],
,,,NA:B:1292,Part of Protein,,,,,[Na+],
,,,MEL:B:1291,valid,Ki,=,2.01,nM,c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N,
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2C90,,,,,,,
,,,C1M:B:1250,valid,ic50,=,330,uM,c1cc(ccc1n2cnnn2)Cl,
,,,DMS:B:1248,invalid,,,,,CS(=O)C,
,,,NA:B:1249,Part of Protein,,,,,[Na+],
,,6ZUH,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,N6H:H:1001,valid,ic50,=,27,nM,CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,,DMS:H:1003,invalid,,,,,CS(=O)C,
,,3SHC,,,,,,,
,,,B01:H:3,valid,Ki,=,1.9,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccn3)Cl)N,
,,,NA:H:1,Part of Protein,,,,,[Na+],
,,,NA:H:2,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6T3Q,,,,,,,
,,,PO4:H:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU GLN:I:518,Part of Protein,,,,,,
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,NA:H:305,Part of Protein,,,,,[Na+],
,,,NA:H:304,Part of Protein,,,,,[Na+],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,M6Q:H:306,valid,Ki,=,379,nM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccnc(c3)N)N,
,,3SI3,,,,,,,
,,,B03:H:5,valid,Ki,=,69.3,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccccn3)N,
,,,GOL:H:3,invalid,,,,,C(C(CO)O)O,
,,,NA:H:1,Part of Protein,,,,,[Na+],
,,,NA:H:2,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4BAM,,,,,,,
,,,MM9:B:1287,valid,Ki,=,1.14,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N(C)C)N,
,,,NA:B:1288,Part of Protein,,,,,[Na+],
,,,NA:B:1289,Part of Protein,,,,,[Na+],
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4YES,,,,,,,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,45S:B:704,valid,Ki,=,9.6,nM,Cc1ccc([nH]1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CN)Cl,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,3DUX,,,,,,,
,,,64U:H:901,valid,Ki,=,100,nM,c1cc(cc(c1)Cl)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N,
,,,NA:H:902,Part of Protein,,,,,[Na+],
,,,NA:H:903,Part of Protein,,,,,[Na+],
,,1K22,,,,,,,
,,,MEL:H:999,valid,Ki,=,4,nM,c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)N,
,,,NA:H:391,Part of Protein,,,,,[Na+],
,,,NA:H:392,Part of Protein,,,,,[Na+],
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2ZHQ,,,,,,,
,,,27U:H:501,valid,Ki,=,0.75,uM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCc3ccccc3)N,
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,3HAT,,,,,,,
,,,MBN ABN RNG GLY VAL ARG:T:303,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)CC1NNCCC1)C(C)C)CCCNC(=[NH2+])N,
,,2ZGX,,,,,,,
,,,29U:H:1601,valid,Ki,=,180,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC)N)N,
,,,NA:H:1701,Part of Protein,,,,,[Na+],
,,,NA:H:1702,Part of Protein,,,,,[Na+],
,,2ZC9,,,,,,,
,,,22U:H:1501,valid,Ki,=,180,nM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl)N,
,,,NA:H:1601,Part of Protein,,,,,[Na+],
,,,NA:H:1602,Part of Protein,,,,,[Na+],
,,1G32,,,,,,,
,,,R11:B:1,valid,Ki,=,780,nM,[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)Cn4c(nc5c4cccc5)C)N,
,,3F68,,,,,,,
,,,91U:H:901,valid,Ki,=,8.7,uM,CC(=O)N[C@H](CC1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)Cl,
,,,NA:H:902,Part of Protein,,,,,[Na+],
,,,NA:H:903,Part of Protein,,,,,[Na+],
,,2ZFP,,,,,,,
,,,19U:H:801,valid,Ki,=,6.8,uM,CC[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N,
,,,NA:H:802,Part of Protein,,,,,[Na+],
,,,NA:H:803,Part of Protein,,,,,[Na+],
,,1A4W,,,,,,,
,,,NA:H:541,Part of Protein,,,,,[Na+],
,,,NA:H:542,Part of Protein,,,,,[Na+],
,,,QWE:H:373,valid,Ki,=,1.2,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N3CCCC[C@@H]3CCC(=O)c4nccs4,
,,2ZGB,,,,,,,
,,,21U:H:1801,valid,Ki,=,0.54,uM,CC(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCc2cccc(c2)Cl)N,
,,,NA:H:1802,Part of Protein,,,,,[Na+],
,,,NA:H:1803,Part of Protein,,,,,[Na+],
,,3SI4,,,,,,,
,,,B04:H:1,valid,Ki,=,132.2,uM,C[n+]1ccccc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N,
,,,GOL:H:3,invalid,,,,,C(C(CO)O)O,
,,,NA:H:4,Part of Protein,,,,,[Na+],
,,,NA:H:5,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2C8X,,,,,,,
,,,C5M:B:1251,valid,ic50,=,220,nM,Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC,
,,,DMS:B:1248,invalid,,,,,CS(=O)C,
,,,DMS:B:1249,invalid,,,,,CS(=O)C,
,,,NA:B:1250,Part of Protein,,,,,[Na+],
,,1C5O,,,,,,,
,,,BAM:H:410,valid,Ki,=,320,uM,c1ccc(cc1)C(=[NH2+])N,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,2C8Y,,,,,,,
,,,C3M:B:1252,valid,,,,,c1ccc(cc1)C[C@@H]([C@@H](CNS(=O)(=O)c2ccc3ccccc3c2)O)N,
,,,DMS:B:1248,invalid,,,,,CS(=O)C,
,,,DMS:B:1249,invalid,,,,,CS(=O)C,
,,,DMS:B:1251,invalid,,,,,CS(=O)C,
,,,NA:B:1250,Part of Protein,,,,,[Na+],
,,1D4P,,,,,,,
,,,BPP:B:400,valid,Ka,=,2000000,M^-1,[H]/N=C(c1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)Cc4ccccc4)/N,
,,,NA:B:398,Part of Protein,,,,,[Na+],
,,,NA:B:399,Part of Protein,,,,,[Na+],
,,,NAG:B:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3SHA,,,,,,,
,,,GOL:H:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:4,invalid,,,,,C(C(CO)O)O,
,,,NA:H:5,Part of Protein,,,,,[Na+],
,,,NA:H:6,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P97:H:1,valid,Ki,=,2.6,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl)N,
,,,PO4:H:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6ZUU,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,QQN:H:1001,valid,ic50,=,3900,nM,C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)nc(o3)NCc4cccc(c4)Cl,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,2ZNK,,,,,,,
,,,31U:H:3001,valid,Ki,=,0.02,uM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N)N,
,,,NA:H:3002,Part of Protein,,,,,[Na+],
,,,NA:H:3003,Part of Protein,,,,,[Na+],
,,3QX5,,,,,,,
,,,02P:H:5,valid,Ki,=,63.5,uM,C[n+]1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl,
,,,GOL:H:4,invalid,,,,,C(C(CO)O)O,
,,,NA:H:1,Part of Protein,,,,,[Na+],
,,,NA:H:2,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4BAK,,,,,,,
,,,NA:B:1288,Part of Protein,,,,,[Na+],
,,,NA:B:1289,Part of Protein,,,,,[Na+],
,,,M67:B:1287,valid,Ki,=,1.22,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NCCC)N,
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3P17,,,,,,,
,,,99P:H:1001,valid,Ki,=,33.4,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccnc3)N,
,,,NA:H:1701,Part of Protein,,,,,[Na+],
,,,NA:H:1702,Part of Protein,,,,,[Na+],
,,,NAG:H:600,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6ZUN,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,,QQ5:H:1001,valid,ic50,=,10,nM,C[C@@H]1CN(CC[C@H]1O)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl,
,,1GHV,,,,,,,
,,,120:H:246,valid,Ki,=,45,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,1C1U,,,,,,,
,,,BAI:H:410,valid,,,,,c1ccc2c(c1)[nH]c(n2)Cc3[nH]c4ccc(cc4n3)C(=N)N,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,,ZN:H:254,Part of Protein,,,,,[Zn+2],
,,6ZV7,,,,,,,
,,,QQW:H:302,valid,ic50,=,6,nM,C[C@@H]1CN([C@@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2ZI2,,,,,,,
,,,24U:H:801,valid,Ki,=,5.7,uM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CCC)N,
,,,BEN:H:901,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,NA:H:701,Part of Protein,,,,,[Na+],
,,,NA:H:702,Part of Protein,,,,,[Na+],
,,1QBV,,,,,,,
,,,PPX:H:907,valid,Ki,=,4100,nM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCNc3ccncc3)N,
,,3EGK,,,,,,,
,,,M18:H:601,valid,Ki,=,22,uM,CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1COC(=O)Cc2cccc(c2)Cl,
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NA:H:603,Part of Protein,,,,,[Na+],
,,1D3P,,,,,,,
,,,BT3:B:400,valid,Ka,=,24300000,M^-1,c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5CCCC5)O)OCCN6CCCC6,
,,,NA:B:398,Part of Protein,,,,,[Na+],
,,,NA:B:399,Part of Protein,,,,,[Na+],
,,,NAG:B:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1A2C,,,,,,,
,,,34H LEU PRJ OAR:J:1,valid,ic50,=,0.5,uM,O=C(NC(C(=O)N1C(=C(O)NC(CO)CCC[NH+]=C(N)N)CC2C1CC(O)CC2)CC(C)C)C(O)Cc1ccc(O)cc1,
,,,NA:H:626,Part of Protein,,,,,[Na+],
,,6EO9,,,,,,,
,,,DMS:H:301,invalid,,,,,CS(=O)C,
,,,DMS:H:303,invalid,,,,,CS(=O)C,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,DMS:H:306,invalid,,,,,CS(=O)C,
,,,DMS:H:302,invalid,,,,,CS(=O)C,
,,,DMS:H:305,invalid,,,,,CS(=O)C,
,,,2OJ:H:307,valid,Ki,=,160,nM,CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C,
,,6ZUX,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,QQE:H:1001,valid,ic50,=,4,nM,C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,3QTV,,,,,,,
,,,06P:H:1001,valid,Ki,=,22.5,uM,C[n+]1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N,
,,,GOL:H:1701,invalid,,,,,C(C(CO)O)O,
,,,NA:H:2001,Part of Protein,,,,,[Na+],
,,,NA:H:2002,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1AIX,,,,,,,
,,,T19:H:3,valid,,,,,B([C@H](C(C)C)NC(=O)c1cccn1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)(O)O,
,,2ZDA,,,,,,,
,,,32U:H:1000,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(cc3)C(=[NH2+])N)N,
,,,NA:H:1100,Part of Protein,,,,,[Na+],
,,,NA:H:1101,Part of Protein,,,,,[Na+],
,,,PO4:H:1102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1K21,,,,,,,
,,,IGN:H:999,valid,Ki,=,4.2,nM,C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCNC(=N)N)NCC(=O)O,
,,,NA:H:391,Part of Protein,,,,,[Na+],
,,,NA:H:392,Part of Protein,,,,,[Na+],
,,,NAG NAG:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4BAN,,,,,,,
,,,M6S:B:1287,valid,Ki,=,2.43,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)NC)N,
,,,NA:B:1288,Part of Protein,,,,,[Na+],
,,,NA:B:1289,Part of Protein,,,,,[Na+],
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6ROT,,,,,,,
,,,KDQ:H:301,valid,Ki,=,483.63,nM,c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3CO)Cl,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,DMS:H:307,invalid,,,,,CS(=O)C,
,,,DMS:H:308,invalid,,,,,CS(=O)C,
,,,NA:H:306,Part of Protein,,,,,[Na+],
,,,NA:H:305,Part of Protein,,,,,[Na+],
,,,PO4:H:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:H:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6T4A,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU GLN:I:518,Part of Protein,,,,,,
,,,NA:H:306,Part of Protein,,,,,[Na+],
,,,NA:H:305,Part of Protein,,,,,[Na+],
,,,J5K:H:302,valid,Ki,=,140,nM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccc(nc3)N)N,
,,,PO4:H:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:H:304,invalid,,,,,C(C(CO)O)O,
,,1G30,,,,,,,
,,,T87:B:1,valid,Ki,=,140,nM,[H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=NOCC(=O)OCC)/c5ccccn5)N,
,,6EO8,,,,,,,
,,,DMS:H:301,invalid,,,,,CS(=O)C,
,,,DMS:H:303,invalid,,,,,CS(=O)C,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,DMS:H:306,invalid,,,,,CS(=O)C,
,,,DMS:H:302,invalid,,,,,CS(=O)C,
,,,DMS:H:305,invalid,,,,,CS(=O)C,
,,,2FN:H:307,valid,Ki,=,100,nM,CC(C)N1CCC(CC1)C(=O)Nc2c(cccc2OCc3cc(on3)c4ccc(s4)Cl)OCCCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O,
,,1MU6,,,,,,,
,,,CDA:B:248,valid,Ki,=,4.2,nM,CC1=CN=C(C(=O)N1CC(=O)NCc2c(cccn2)F)NCC(c3ccccn3)(F)F,
,,1FPC,,,,,,,
,,,0ZI:H:371,valid,Ki,=,0.1,uM,NULL,
,,6TDT,,,,,,,
,,,LXW:H:305,valid,Ki,=,1213,nM,c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,PO4:H:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU GLN:I:555,Part of Protein,,,,,,
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,NAG:H:306,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2ZF0,,,,,,,
,,,51U:H:501,valid,,,,,Cc1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N,
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,1W7G,,,,,,,
,,,MIU:H:300,valid,Ki,~,13,uM,c1cc(cc(c1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCN(CC2)CCCN)C(F)(F)F,
,,3DHK,,,,,,,
,,,23U:H:1601,valid,Ki,=,47,nM,c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cccc(c4)Cl)N,
,,,NA:H:1701,Part of Protein,,,,,[Na+],
,,,NA:H:1702,Part of Protein,,,,,[Na+],
,,2ZDV,,,,,,,
,,,37U:H:501,valid,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cccc(c3)F)N,
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,PO4:H:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2ZO3,,,,,,,
,,,33U:H:2501,valid,Ki,=,0.1,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(c3ccccc3)c4ccccc4)N)N,
,,,NA:H:2502,Part of Protein,,,,,[Na+],
,,,NA:H:2503,Part of Protein,,,,,[Na+],
,,1NRS,,,,,,,
,,,LEU ASP PRO ARG:R:38,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1)CC(=O)[O-])C([NH3+])CC(C)C,
,,3TU7,,,,,,,
,,,0BM:H:1,valid,Ki,=,8.17,nM,[H]/N=C(N)/N1CCC(CC1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)C,
,,6GBW,,,,,,,
,,,DMS:H:304,invalid,,,,,CS(=O)C,
,,,DMS:H:305,invalid,,,,,CS(=O)C,
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,EU5:H:306,valid,Ki,=,3.51,nM,[H]/N=C(N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc2cc(ccc2CN)Cl)NS(=O)(=O)Cc3ccccc3,
,,6ZUW,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,,QQK:H:1001,valid,ic50,=,0.4,nM,CC[C@@H]1CO[C@@](CN1C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](C)c4cccc(c4)Cl)(C)CCO,
,,1KTS,,,,,,,
,,,C24:B:999,valid,Ki,=,4.5,nM,CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc3c(c2)nc(n3C)CNc4ccc(cc4)C(=N)N,
,,1GHY,,,,,,,
,,,121:H:246,valid,Ki,=,0.008,uM,c1cc(c(nc1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O,
,,,CA:H:673,Part of Protein,,,,,[Ca+2],
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,,ZN:H:247,Part of Protein,,,,,[Zn+2],
,,,ZN:H:248,Part of Protein,,,,,[Zn+2],
,,,ZN:L:580,Part of Protein,,,,,[Zn+2],
,,1MU8,,,,,,,
,,,CDB:B:248,valid,Ki,=,1,nM,Cc1ccnc(c1F)CNC(=O)CN2C(=C[NH+]=C(C2=O)NCC(c3cccc[nH+]3)(F)F)C,
,,1MUE,,,,,,,
,,,CDD:B:248,valid,Ki,=,2.3,nM,c1ccc(c(c1)CNC(=O)CN2C(=CN=C(C2=O)NCC(c3cccc[n+]3[O-])(F)F)Cl)F,
,,2C8W,,,,,,,
,,,C7M:B:1249,valid,ic50,=,3.7,nM,COc1ccc(cc1)S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)[NH2+]Cc3cc(ccc3N4C=NNN4)Cl)O,
,,,NA:B:1248,Part of Protein,,,,,[Na+],
,,1O5G,,,,,,,
,,,CA:H:392,Part of Protein,,,,,[Ca+2],
,,,CR9:H:393,valid,Ki,=,11,uM,C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F,
,,,NA:H:391,Part of Protein,,,,,[Na+],
,,1BCU,,,,,,,
,,,PRL:H:280,valid,Kd,=,0.53,mM,c1cc(cc2c1cc3ccc(cc3n2)N)N,
,,3QTO,,,,,,,
,,,10P:H:1001,valid,Ki,=,74.8,uM,C[n+]1cccc(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N,
,,,GOL:H:1501,invalid,,,,,C(C(CO)O)O,
,,,NA:H:2001,Part of Protein,,,,,[Na+],
,,,NA:H:2002,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1GHW,,,,,,,
,,,BMZ:H:246,valid,Ki,=,4,uM,c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,1C1V,,,,,,,
,,,BAB:H:410,valid,Ki,=,0.023,uM,c1cc2c(cc1C(=[NH2+])N)[nH]c([nH+]2)Cc3[nH]c4cc(ccc4n3)C(=[NH2+])N,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,,ZN:H:254,Part of Protein,,,,,[Zn+2],
,,,ZN:H:255,Part of Protein,,,,,[Zn+2],
,,1TOM,,,,,,,
,,,MIN:H:1,valid,Ki,=,5,nM,CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N,
,,1KTT,,,,,,,
,,,C02:B:1,valid,ic50,=,1.5,uM,Cn1c2ccc(cc2nc1Cc3ccc(cc3)C(=N)N)NS(=O)(=O)c4ccccc4,
,,6ZV8,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,,QQT:H:1001,valid,ic50,=,0.7,nM,C[C@H]1CN([C@H](CO1)CCO)C(=O)c2cc3c(c(c2)OC)oc(n3)N[C@H](CF)c4cccc(c4)Cl,
,,3SV2,,,,,,,
,,,GOL:H:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:5,invalid,,,,,C(C(CO)O)O,
,,,NA:H:6,Part of Protein,,,,,[Na+],
,,,NA:H:7,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P05:H:1,valid,Ki,=,64,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3ccncc3)N,
,,,PO4:H:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1O2G,,,,,,,
,,,696:H:410,valid,Ki,=,0.76,uM,c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,2C93,,,,,,,
,,,C4M:B:1251,valid,ic50,=,12,uM,Cc1cc(c(c(c1S(=O)(=O)NC[C@H]([C@H](Cc2ccccc2)N)O)C)C)OC,
,,,DMS:B:1248,invalid,,,,,CS(=O)C,
,,,DMS:B:1250,invalid,,,,,CS(=O)C,
,,,NA:B:1249,Part of Protein,,,,,[Na+],
,,4LXB,,,,,,,
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7R9:H:304,valid,ic50,=,7,nM,CN(C)[C@H]1CCN(C1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cccc(c3OC(F)F)N4CCCCC4=O,
,,3QWC,,,,,,,
,,,98P:H:2001,valid,Ki,=,55.4,uM,C[n+]1ccc(c(c1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)N)Cl,
,,,GOL:H:1501,invalid,,,,,C(C(CO)O)O,
,,,NA:H:1001,Part of Protein,,,,,[Na+],
,,,NA:H:1002,Part of Protein,,,,,[Na+],
,,,NAG:H:260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2A2X,,,,,,,
,,,NA9:H:501,valid,ic50,=,20.2,nM,[H]/N=C(c1ccc(cn1)CNC(=O)[C@H](C)N(C)C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)/N,
,Family. Representative Entry is ,4AX9,,,,,,,
,,,N5N:H:1246,valid,Ki,=,0.00027,uM,[H]/N=C(/N)N1CCC[C@H](C1)CNC(=O)C[C@@H](C(=O)N(CC(=O)O)C2CC2)NS(=O)(=O)c3ccc4ccccc4c3,
,,,NA:H:1244,Part of Protein,,,,,[Na+],
,,,NA:H:1245,Part of Protein,,,,,[Na+],
,,,NAG:H:1247,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1D3D,,,,,,,
,,,BZT:B:400,valid,Ka,=,1240000000,M^-1,c1cc(ccc1c2c(c3ccc(cc3s2)O)Cc4ccc(c(c4)Br)CN5CCCC5)OCCN6CCCC6,
,,,NA:B:398,Part of Protein,,,,,[Na+],
,,,NA:B:399,Part of Protein,,,,,[Na+],
,,,NAG:B:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UFG,,,,,,,
,,,D6J:H:1249,valid,,,,,CC[C@@H](C(=O)NCc1ccc(cc1)C(=N)N)N(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NAG:H:1251,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AFZ,,,,,,,
,,,NAG:H:1250,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UET:H:1248,valid,Kd,=,0.16,uM,c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N)NS(=O)(=O)Cc3ccccc3,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1246,Part of Protein,,,,,[Na+],
,,,PO4:H:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TYS:I:1565,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O,
,,4UE7,,,,,,,
,,,IOD:H:1247,invalid,,,,,[I-],
,,,PO4:H:1253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:H:1252,Part of Protein,,,,,[Na+],
,,,NA:H:1251,Part of Protein,,,,,[Na+],
,,,GOL:H:1250,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1249,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1248,invalid,,,,,C(C(CO)O)O,
,,,DMS:H:1255,invalid,,,,,CS(=O)C,
,,,DMS:H:1254,invalid,,,,,CS(=O)C,
,,,DMS:H:1257,invalid,,,,,CS(=O)C,
,,,EDO:H:1256,invalid,,,,,C(CO)O,
,,,MRZ:H:1258,valid,Kd,=,107,uM,[H]/N=C(N)/N1CCCCC1,
,,,NAG:H:1259,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3BIU,,,,,,,
,,,10U:H:999,valid,,,,,c1cc(ccc1CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCC3)C(=N)N,
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NAG:H:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UFF,,,,,,,
,,,NAG:H:1260,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,6V2:H:1248,valid,,,,,[H]/N=C(c1ccc(cc1)CNC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1246,Part of Protein,,,,,[Na+],
,,,PO4:H:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AHG,,,,,,,
,,,DMS:H:1249,invalid,,,,,CS(=O)C,
,,,DMS:H:1250,invalid,,,,,CS(=O)C,
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,NAG:H:1254,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,Y4L:H:1253,valid,,,,,CN(C)S(=O)(=O)Nc1ccc(cc1)Cl,
,,3BIV,,,,,,,
,,,11U:H:999,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)CNC3CCCCC3)N,
,,,NAG:H:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UEH,,,,,,,
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,BEN:H:1249,valid,Kd,=,355,uM,[H]/N=C(c1ccccc1)/N,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NAG:H:1060,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4UFD,,,,,,,
,,,GOL:H:1250,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1249,invalid,,,,,C(C(CO)O)O,
,,,PO4:H:1252,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NAG:H:1060,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,S49:H:1251,valid,,,,,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc3ccccc3)NS(=O)(=O)Cc4ccccc4)N,
,,2V3O,,,,,,,
,,,CA:H:1249,Part of Protein,,,,,[Ca+2],
,,,I26:H:1246,valid,,,,,[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2F)OCC(C)(C)CN(C)C)CC)C(=O)O)N,
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,5AF9,,,,,,,
,,,DMS:H:1248,invalid,,,,,CS(=O)C,
,,,DMS:H:1249,invalid,,,,,CS(=O)C,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,SJR:H:1250,valid,Kd,=,1003,uM,COc1ccc(cc1)C(=O)Nc2ccccn2,
,,,NAG:H:1060,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1246,Part of Protein,,,,,[Na+],
,,,EDO:H:1255,invalid,,,,,C(CO)O,
,,,PO4:H:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4UD9,,,,,,,
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,EDO:H:1256,invalid,,,,,C(CO)O,
,,,EDO:H:1255,invalid,,,,,C(CO)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,DMS:H:1251,invalid,,,,,CS(=O)C,
,,,DMS:H:1250,invalid,,,,,CS(=O)C,
,,,TYS:H:1259,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O,
,,,PO4:H:1249,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FQI:H:1257,valid,Kd,=,475,uM,c1cc(sc1C(=O)N)Cl,
,,,NAG:H:1258,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1T4U,,,,,,,
,,,81A:H:4815,valid,,,,,[H]/N=C(N)/NOCC1(CC1)COc2cc(cc(c2)OS(=O)(=O)c3ccccc3S(=O)(=O)C)C,
,,2R2M,,,,,,,
,,,I50:B:5000,valid,Ki,=,47.1,nM,[H]/N=C(/N)NOCCNC(=O)Cc1c(ccc(c1F)NCC(c2ccccc2)(F)F)Cl,
,,5AFY,,,,,,,
,,,DMS:H:1249,invalid,,,,,CS(=O)C,
,,,DMS:H:1250,invalid,,,,,CS(=O)C,
,,,NAG:H:1256,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,TYS:H:1255,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OS(=O)(=O)O,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1246,Part of Protein,,,,,[Na+],
,,,PO4:H:1251,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,WCE:H:1248,valid,,,,,c1cc(cc(c1)Cl)C(=O)N,
,,6ZUG,,,,,,,
,,,NAG:H:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,QPW:H:1001,valid,ic50,=,12,nM,CCCN(C[C@@H]1CCOC1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl,
,,,GLY ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:9,Part of Protein,,,,,,
,,1T4V,,,,,,,
,,,14A:H:1411,valid,Ki,=,0.021,uM,C=CCN(C1CCCC1)C(=O)c2cc(cc(c2)Cl)OCCCONC(=N)N,
,,4UFE,,,,,,,
,,,3ZD:H:1249,valid,,,,,[H]/N=C(c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc3ccccc3)/N,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,NAG:H:1251,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4UDW,,,,,,,
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,,N6L:H:1249,valid,Kd,=,0.27,uM,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCc3cc(ccc3Cl)Cl)N,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU GLN:I:555,Part of Protein,,,,,,
,,,NAG:H:1252,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:H:1250,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2CF8,,,,,,,
,,,CA:H:1249,Part of Protein,,,,,[Ca+2],
,,,ESH:H:1246,valid,Ki,=,0.008,uM,[H]/N=C(c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)Cl)C(C)C)/N,
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,2CF9,,,,,,,
,,,348:H:1247,valid,Ki,=,0.015,uM,[H]/N=C(c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc(cc5)OC)C(C)C)/N,
,,,CA:H:1249,Part of Protein,,,,,[Ca+2],
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,1VZQ,,,,,,,
,,,CA:H:1258,Part of Protein,,,,,[Ca+2],
,,,NA:H:1257,Part of Protein,,,,,[Na+],
,,,SHY:H:1256,valid,Ki,=,36,nM,[H]/N=C(c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2C[C@@H](C4)O)C(=O)N(C3=O)Cc5ccc6c(c5)OCO6)/N,
,Family. Representative Entry is ,1SL3,,,,,,,
,,,170:A:1001,valid,Ki,=,1.4,pM,c1cc[n+](c(c1)C(CNC2=NC=C(N(C2=O)CC(=O)NCc3cc(ccc3n4cnnn4)Cl)Cl)(F)F)[O-],
,,1NM6,,,,,,,
,,,L86:A:247,valid,Ki,=,0.09,nM,c1ccc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl,
,,1NT1,,,,,,,
,,,T76:A:247,valid,Ki,=,1.3,nM,c1cc2c(cc1Cl)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](NC(=O)CCNC(=O)CO2)C4CCCCC4,
,,1TA6,,,,,,,
,,,177:A:401,valid,Ki,=,0.74,nM,CCNC(=O)COc1ccc(cc1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C3CCCCC3)N)Cl,
,,1Z71,,,,,,,
,,,L17:A:1001,valid,Ki,=,0.66,nM,C[C@H](c1cccc(c1)Cl)NC(=O)Cc2c(ccc([n+]2[O-])NCC(c3cccc[n+]3[O-])(F)F)Cl,
,,1ZRB,,,,,,,
,,,062:A:1001,valid,Ki,=,0.77,nM,c1ccc2c(c1)-c3c[n+](ccc3[C@]2(C(=O)N4CCC[C@H]4C(=O)NCc5cc(ccc5CN)Cl)O)[O-],
,,3C1K,,,,,,,
,,,T15:A:403,valid,Ki,=,0.36,nM,Cc1c(n(cn1)CC(=O)NC(C)(C)C)CNC(=O)CN2C(=CC=C(C2=O)NS(=O)(=O)Cc3ccccc3)C,
,,1TA2,,,,,,,
,,,176:A:401,valid,Ki,=,3,nM,c1ccc(cc1)C(c2ccccc2)[C@H](C(=O)N3CCC[C@H]3C(=O)NCc4cc(ccc4Cl)Cl)N,
,Family. Representative Entry is ,1EB1,,,,,,,
,,,ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE:A:10,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccc(O)cc3)CCC(=O)[O-])CCC2)C(CC)C)CCC1)CCC(=O)[O-])CCC(=O)[O-])C)Cc1ccccc1,
,,,ZAL PRO MMO:B:1,valid,Ki,=,37,pM,O=C(C([NH3+])CC1CCCCC1)N1C(C(=O)N(C(C=O)CCC[NH+]=C(N)N)C)CCC1,
,,1YPE,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,GOL:H:7777,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:7778,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:7779,invalid,,,,,C(C(CO)O)O,
,,,NA:H:6666,Part of Protein,,,,,[Na+],
,,,NA:H:6667,Part of Protein,,,,,[Na+],
,,,UIP:H:5555,valid,Ki,=,8,nM,CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6ccc(cc6)C(=N)N,
,,1YPM,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,RA4:H:5555,valid,Ki,=,1.9,uM,[H]/N=C(N)/NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2)[N+](=O)[O-],
,,1YPJ,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,UIB:H:5555,valid,Ki,=,95,nM,CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)OCO5,
,,1YPG,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,UIR:H:5555,valid,Ki,=,10,nM,c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N,
,,1H8D,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,PHW:H:301,valid,,,,,CO/C=C/C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6,
,,1H8I,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,PHV:H:301,Part of Protein,,,,,COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O,
,,1YPL,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,GOL:H:6666,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:6667,invalid,,,,,C(C(CO)O)O,
,,,NA:H:7777,Part of Protein,,,,,[Na+],
,,,NA:H:7778,Part of Protein,,,,,[Na+],
,,,RA8:H:5555,valid,Ki,=,10.6,uM,[H]/N=C(/N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(=O)Cc2ccccc2,
,,3U8T,,,,,,,
,,,CL:H:604,invalid,,,,,[Cl-],
,,,DPN PRO DAR CYS NH2:I:1,valid,Ki,=,16.5,uM,SCC(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N)C(=O)[NH3+],
,,,IOD:H:603,invalid,,,,,[I-],
,,,MPD:H:605,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NAG:H:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1YPK,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:1,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CCR:H:5555,valid,,,,,Cc1cc(c(c(c1S(=O)(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccc(cc2)C(=N)N)C(=O)N3CCCCC3)C)C)OC,
,,1SB1,,,,,,,
,,,165:H:1001,valid,Ki,=,128,nM,c1ccc(cc1)CS(=O)(=O)N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)Nc4ccc5c(c4)sc(n5)N,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])CCC(=O)[O-])C=O)cc1)[O-],
,,,NA:H:501,Part of Protein,,,,,[Na+],
,,,NA:H:502,Part of Protein,,,,,[Na+],
,,4LOY,,,,,,,
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,6XS:H:304,valid,,,,,CN1CCN(CC1)C(=O)[C@H](CNC(=O)c2ccc(s2)Cl)NS(=O)(=O)c3cc(cc(c3Cl)N4CCCCC4=O)F,
,,4HFP,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,15U:D:402,valid,Kd,=,42,nM,[H]/N=C(N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C,
,,,15U:B:402,valid,Kd,=,42,nM,[H]/N=C(N)/NCCC[C@@H](C(=O)N1CC[C@H](C[C@@H]1C(=O)O)C)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C,
,,1TWX,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU:C:300,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])C(=O)NC(C(=O)[O-])CC(C)C)cc1)[O-],
,,,NAG:B:400,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1VR1,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,3BV9,,,,,,,
,,,DAR OIC PRO DAL 4PH NH2:C:401,valid,Ki,=,4.4,uM,O=C(NC(C(=O)N)CC1CCC(C)CC1)C(NC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)C3C(C2)CCCC3)CCC1)C,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:B:303,invalid,,,,,[I-],
,,,IOD:B:304,invalid,,,,,[I-],
,,,NA:B:307,Part of Protein,,,,,[Na+],
,,3U8R,,,,,,,
,,,CL:H:604,invalid,,,,,[Cl-],
,,,DPN PRO DAR ILE NH2:I:1,valid,Ki,=,7.7,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N)C(CC)C,
,,,IOD:H:603,invalid,,,,,[I-],
,,,MPD:H:605,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:H:606,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NAG:H:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3U8O,,,,,,,
,,,CL:H:604,invalid,,,,,[Cl-],
,,,DPN PRO DAR DTH NH2:I:1,valid,Ki,=,0.92,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N)C(O)C,
,,,IOD:H:603,invalid,,,,,[I-],
,,,MRD:H:605,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:606,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:H:602,Part of Protein,,,,,[Na+],
,,,NAG:H:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3VXE,,,,,,,
,,,DPN PRO ARG:I:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N,
,,,NAG:H:300,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2HGT,,,,,,,
,,,DPN PRO ARG:I:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,1NZQ,,,,,,,
,,,162:H:248,valid,ic50,=,11,nM,Cn1cc(cc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O,
,Family. Representative Entry is ,6GWE,,,,,,,
,,,EDO:H:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:H:304,Part of Protein,,,,,[Na+],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ODB:H:301,valid,Ki,=,42,nM,[H]/N=C(/N)NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N,
,,,ODB:A:301,valid,Ki,=,42,nM,[H]/N=C(/N)NCCC[C@H]1C(=O)N[C@@H](CSCc2ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4ccccc4CO)C(=O)N,
,Family. Representative Entry is ,1BHX,,,,,,,
,,,ASP PHE GLU GLU ILE:E:55,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])CCC(=O)[O-])C(CC)C,
,,,R56:F:1,valid,Ki,=,0.145,uM,c1ccc(cc1)CS(=O)(=O)N[C@@H]2CC[C@H]3N(C2=O)[C@@H](CS3)C(=O)NCCCNC(=N)N,
,,3PO1,,,,,,,
,,,ACT:C:287,invalid,,,,,CC(=O)[O-],
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU:D:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])C(=O)NC(C(=O)[O-])CC(C)C)cc1)[O-],
,,,MKY:C:1,valid,Kd,=,95,uM,[H]/N=C(N)/N=C1/N(c2ccc(cc2S1)O)CC(=O)OCC,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,2PKS,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU:D:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])C(=O)NC(C(=O)[O-])CC(C)C)cc1)[O-],
,,,G44:C:101,valid,ic50,=,11,uM,[H]/N=C(c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)/N,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1TB6,,,,,,,
,,,GU4 GU6 GU0 GU5 GU8 GU9 GU8 GU9 GU8 GU9 GU8 GU5 GU1 GU6 GU2 GU3:I:433,valid,,,,,,
,,,MPD:H:781,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:782,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:783,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:784,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:864,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:865,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:866,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:867,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG NAG BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG FUC:A:1,Part of Protein,,,,,,
,,,NAG:I:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1D9I,,,,,,,
,,,00P:A:380,valid,Ki,=,0.78,nM,c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)N,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NA:A:950,Part of Protein,,,,,[Na+],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,1JWT,,,,,,,
,,,BLI:A:300,valid,Ki,=,14,nM,c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H](N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N,
,,1XM1,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,GAH:A:1001,valid,,,,,[H]/N=C(N)/NCCCC[C@@H](C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)O)NC(=O)[C@@H]2CCN2C(=O)[C@@H](CC3CCCCC3)NC(=O)C4CCC(CC4)CN/C(=N/[H])/N,
,,1HAG,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NAG:E:400,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1ZGV,,,,,,,
,,,501:A:1001,valid,ic50,~,1,uM,CCCCNc1cc(nc2n1nc(n2)Nc3cc(ccc3C)Cl)C,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:B:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,2BDY,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:B:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,UNB:A:401,valid,ic50,=,0.017,uM,[H]/N=C(c1ccc(cc1)CNC(=O)Cc2c(ccc(c2O)NS(=O)(=O)c3cccc4c3cccc4)C)/N,
,,1G37,,,,,,,
,,,110:A:900,invalid,,,,,CCCCOC(=O)[C@H]([C@H](C1CCC(CC1)N)NC(=O)c2ccc3n2C(=O)CN(C3)S(=O)(=O)Cc4ccccc4)O,
,,,PHE GLU ALA ILE PRO ALA GLU TYR LEU:B:356,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CCC(=O)[O-])C)C(CC)C)CCC1)C)CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C,
,,1ZGI,,,,,,,
,,,382:A:1001,valid,Ki,=,4.6,uM,c1ccc(c(c1)Cc2nc3c(o2)ccnc3NCC([C@H]4CCCCN4)(F)F)n5cncn5,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:B:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,1D6W,,,,,,,
,,,00R:A:380,valid,Ki,=,1100,nM,c1ccc(cc1)S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NC4CCC(CC4)c5cnc([nH]5)N,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NA:A:950,Part of Protein,,,,,[Na+],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2FEQ,,,,,,,
,,,34P:H:1,valid,ic50,=,1.39,nM,[H]/N=C(/c1csc(n1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)N,
,Family. Representative Entry is ,1C4V,,,,,,,
,,,IH2:2:370,valid,Ki,=,0.016,nM,[H]/N=C(C1CCC(CC1)CNC(=O)[C@@H]2C=C(CN3N2C(=O)N(C3=O)CC(c4ccccc4)c5ccccc5)C)/N,
,,,NA:2:504,invalid,,,,,[Na+],
,Family. Representative Entry is ,2ANK,,,,,,,
,,,N12:H:501,valid,ic50,=,47.3,nM,[H]/N=C(c1ccc(cn1)CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)/N,
,Family. Representative Entry is ,1ETS,,,,,,,
,,,MID:H:1,valid,Ki,=,6,nM,[H]/N=C(/c1ccc(cc1)C[C@H](C(=O)N2CCCCC2)NC(=O)CNS(=O)(=O)c3ccc4ccccc4c3)N,
,,1UVT,,,,,,,
,,,I48:H:1,valid,Ki,=,0.023,uM,Cc1cc(cc(c1)OCCNc2cc[nH+]cc2)NS(=O)(=O)c3ccccc3,
,,1ETT,,,,,,,
,,,4QQ:H:301,valid,Ki,=,1.3,uM,[H]/N=C(c1ccc(cc1)C[C@@H](C(=O)N2CCCCC2)NS(=O)(=O)c3ccc(cc3)C)/N,
,,1ETR,,,,,,,
,,,MIT:H:1,valid,,,,,C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=[NH2+])N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C,
,Family. Representative Entry is ,2CN0,,,,,,,
,,,CA:H:1249,Part of Protein,,,,,[Ca+2],
,,,F25:H:1246,valid,Ki,=,22,nM,c1cc(ccc1CN2[C@@H]([C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(N)N)C(F)F)F,
,,,NA:H:1248,Part of Protein,,,,,[Na+],
,,2V3H,,,,,,,
,,,CA:H:1248,Part of Protein,,,,,[Ca+2],
,,,I25:H:1246,valid,,,,,[H]/N=C(/c1ccc(cc1)N[C@H](c2cc(cc(c2)OCC(C)(C)CN(C)C)CC)C(=O)O)N,
,,,NA:H:1247,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1RIW,,,,,,,
,,,NA:C:701,Part of Protein,,,,,[Na+],
,,,NA:C:702,Part of Protein,,,,,[Na+],
,,,NAG:B:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OSC:C:1001,valid,ic50,=,28,nM,c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O)[C@@H](Cc5ccccc5)O,
,Family. Representative Entry is ,2ANM,,,,,,,
,,,CDO:H:1001,valid,ic50,=,1.8,nM,[H]/N=C(/c1ccc(cn1)CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)N,
,,1HXF,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU:I:55,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc2ccc(O)cc2)CCC(=O)[O-])CCC1)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,,1C5N,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:H:521,Part of Protein,,,,,[Ca+2],
,,,ESI:H:522,valid,Ki,=,20,uM,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,2JH0,,,,,,,
,,,701:D:1247,valid,Ki,=,2,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C=C(/C)c3ccc(s3)Cl,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:D:1248,Part of Protein,,,,,[Ca+2],
,,,NA:D:1249,Part of Protein,,,,,[Na+],
,,1WBG,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,DMS:B:1249,invalid,,,,,CS(=O)C,
,,,DMS:B:1250,invalid,,,,,CS(=O)C,
,,,DMS:B:1251,invalid,,,,,CS(=O)C,
,,,L03:B:1248,valid,ic50,=,1,mM,CSc1[nH]c(nn1)c2ccc(cc2)Cl,
,,1AFE,,,,,,,
,,,ALZ:H:600,valid,,,,,c1ccc(cc1)COC(=O)N2CCC[C@H]2C(=O)NNCCCCN,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NAG:H:400,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3DA9,,,,,,,
,,,44U:B:1,valid,Kd,=,3.1,uM,CCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)N,
,,,ASP PHE GLU GLU ILE PRO GLY GLU PTR:D:355,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])C=O)cc1)([O-])[O-],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,2UUJ,,,,,,,
,,,896:B:1250,valid,,,,,CCN(C(C)C)C(=O)c1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:B:1249,Part of Protein,,,,,[Ca+2],
,,,NA:B:1248,Part of Protein,,,,,[Na+],
,,1QHR,,,,,,,
,,,157:B:500,invalid,,,,,C1C[C@@H]([C@H](C1)O)[C@@H](CCCCC(=N)N)C=O,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,1QJ1,,,,,,,
,,,166:B:1248,invalid,,,,,c1cc(ccc1c2ccc3c(c2)[C@@H]([C@H](C3)O)[C@@H](CCCCC(=N)N)C(=O)O)O,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,ic50,=,9,nM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,1AE8,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,AZL:H:600,valid,,,,,CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN,
,,,NAG:H:400,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1C5L,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:H:521,Part of Protein,,,,,[Ca+2],
,,,NA:H:409,Part of Protein,,,,,[Na+],
,,4BAO,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:D:355,invalid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,MVF:B:1287,valid,Ki,=,4.29,nM,[H]/N=C(/c1ccc(cc1)CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)N)N,
,,,NA:B:1288,Part of Protein,,,,,[Na+],
,,,NA:B:1289,Part of Protein,,,,,[Na+],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2JH5,,,,,,,
,,,895:D:1249,valid,Ki,=,367,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C=Cc3ccc(s3)Cl,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:D:1247,Part of Protein,,,,,[Ca+2],
,,,NA:D:1248,Part of Protein,,,,,[Na+],
,,1HXE,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU:I:55,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc2ccc(O)cc2)CCC(=O)[O-])CCC1)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,,,RB:H:550,invalid,,,,,[Rb+],
,,,RB:H:551,invalid,,,,,[Rb+],
,,1QJ6,,,,,,,
,,,167:B:1248,invalid,,,,,COc1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,ic50,=,18,nM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,1AWF,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,Ki,=,0.97,uM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,GR4:H:1,invalid,,,,,CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC(=O)C)C)O)C)CO)O)C,
,,2GDE,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU:D:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)CCC2)CCC(=O)[O-])C(=O)NC(C(=O)[O-])CC(C)C)cc1)[O-],
,,,NA:H:402,invalid,,,,,[Na+],
,,,SN3:H:401,valid,ic50,=,5.7,nM,[H]/N=C(N)/N1CC=C(C1)CCNC(=O)[C@@H]2C[C@@H]3C[C@@H]([C@H](C[C@@H]3N2C(=O)[C@@H]([C@@H](C(C)C)Cl)NC(=O)[C@@H](COS(=O)(=O)O)OC)O)O,
,,8KME,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:3:355,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,ACE 0BN CHG MLY LEU PRO NH2:4:379,valid,Ki,=,8,uM,,
,,,NA:2:950,Part of Protein,,,,,[Na+],
,,,NA:2:951,Part of Protein,,,,,[Na+],
,,1NY2,,,,,,,
,,,ARG PRO PRO GLY PHE:4:380,invalid,,,,,O=C(NC(C=O)Cc1ccccc1)CNC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:3:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,2H9T,,,,,,,
,,,PHE PRO ARG:I:1,valid,,,,,O=C(C([NH3+])Cc1ccccc1)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1,
,,,SVR:H:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,1QJ7,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,ic50,=,18,nM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,GR1:B:1248,invalid,,,,,CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O,
,,1UMA,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,IN2:H:500,valid,,,,,CN(C)C(=O)NN(CCCCN)C(=O)O,
,,,IN2:H:600,valid,,,,,CN(C)C(=O)NN(CCCCN)C(=O)O,
,,,NAG:H:400,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2UUK,,,,,,,
,,,897:B:2250,valid,,,,,Cc1cc(cc(c1)OC[C@H](C)Nc2ccncc2)C(=O)N(CCC(=O)NC(C)(C)C)C(C)C,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:B:2249,Part of Protein,,,,,[Ca+2],
,,,NA:B:2248,Part of Protein,,,,,[Na+],
,,1AD8,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,Ki,=,247,nM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,MDL:H:250,invalid,,,,,CN[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)C(C(F)(F)F)(F)F,
,,,NA:H:1,Part of Protein,,,,,[Na+],
,,2UUF,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:B:2249,Part of Protein,,,,,[Ca+2],
,,,NA:B:2248,Part of Protein,,,,,[Na+],
,,1XMN,,,,,,,
,,,0G6:B:1,Part of Protein,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N,
,,,0G6:D:1,Part of Protein,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N,
,,,0G6:F:1,Part of Protein,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N,
,,,0G6:H:1,Part of Protein,,,,,c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=[NH2+])N)[C@@H](CCl)O)N,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1005,invalid,,,,,C(C(CO)O)O,
,,,NA:B:3004,Part of Protein,,,,,[Na+],
,,,NA:D:3001,Part of Protein,,,,,[Na+],
,,,NA:F:3002,Part of Protein,,,,,[Na+],
,,,NA:H:3003,Part of Protein,,,,,[Na+],
,,,SGN IDS SGN IDS SGN:K:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)CC(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,IDS SGN IDS SGN IDS SGN:I:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)CC(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(O)OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,NAG NAG BMA MAN MAN:N:1,Part of Protein,,,,,,
,,,NAG NDG:L:1,Part of Protein,,,,,,
,,,NAG NDG:M:1,Part of Protein,,,,,,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2JH6,,,,,,,
,,,894:D:1249,valid,Ki,=,17,nM,C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)CCc3ccc(s3)Cl,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:H:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,CA:D:1247,Part of Protein,,,,,[Ca+2],
,,,NA:D:1248,Part of Protein,,,,,[Na+],
,,1HAH,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NAG:H:400,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3BF6,,,,,,,
,,,PHE PRO ARG:I:1,valid,,,,,O=C(C([NH3+])Cc1ccccc1)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1,
,,,SVR:H:301,valid,ic50,=,40,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,1WAY,,,,,,,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:55,valid,,,,,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,DMS:B:1249,invalid,,,,,CS(=O)C,
,,,DMS:B:1250,invalid,,,,,CS(=O)C,
,,,DMS:B:1251,invalid,,,,,CS(=O)C,
,,,L02:B:1248,valid,ic50,=,400,uM,c1cc(ccc1c2cc([nH]n2)C3CCNCC3)Cl,
,,7KME,,,,,,,
,,,ACE 0BN CHG PRR LEU PRO NH2:J:379,valid,,,,,O=C(NC(C(=O)NC(CO)Cc1c[n+](C)ccc1)C1CCCCC1)C(NC(O)C)Cc1ccc(C(=[NH2+])N)cc1,
,,,ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU:I:355,valid,Ki,=,40,uM,S(=O)(=O)(Oc1ccc(CC(NC(=O)CNC(=O)CNC(=O)C2N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc3ccccc3)CCC(=O)[O-])C(CC)C)CCC2)C(=O)NC(C=O)CC(C)C)cc1)[O-],
,,,NA:H:950,Part of Protein,,,,,[Na+],
,,,NA:H:951,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3PMA,,,,,,,
,,,CIT:B:3,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:4,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NA:B:1,Part of Protein,,,,,[Na+],
,,,NA:D:2,Part of Protein,,,,,[Na+],
,,,GU4 YYJ:E:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,,GU4 YYJ:F:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,3BEF,,,,,,,
,,,ASN ASP LYS TYR GLU PRO PHE TRP GLU:C:49,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])Cc2c3c([nH]c2)cccc3)Cc2ccccc2)CCC1)CCC(=O)[O-])Cc1ccc(O)cc1)CCCC[NH3+])CC(=O)[O-])C([NH3+])CC(=O)N,
,,,ASN ASP LYS TYR GLU PRO PHE TRP GLU:F:50,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])Cc2c3c([nH]c2)cccc3)Cc2ccccc2)CCC1)CCC(=O)[O-])Cc1ccc(O)cc1)CCCC[NH3+])CC(=O)[O-])C([NH3+])CC(=O)N,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2FES,,,,,,,
,,,3SP:H:1,valid,ic50,=,0.98,nM,[H]/N=C(/c1ccc(s1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O)N,
,Family. Representative Entry is ,1YCP,,,,,,,
,,,TYR GLY VAL ARG GLY PRO:F:308,valid,,,,,,
,Family. Representative Entry is ,1O0D,,,,,,,
,,,163:H:248,valid,ic50,=,6.2,nM,Cn1c(ccc1C(=N)N)CNC(=O)c2cccn2C(=O)[C@@H](CC3CCCCC3)NCC(=O)O,
,Family. Representative Entry is ,1NL2,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,CL:A:250,invalid,,,,,[Cl-],
,,,CL:A:251,invalid,,,,,[Cl-],
,,,CL:A:252,invalid,,,,,[Cl-],
,,,LPS:A:451,valid,,,,,CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O,
,,,NAG:A:303,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1C4U,,,,,,,
,,,IH1:2:370,valid,Ki,=,0.043,nM,c1cc(ccc1S(=O)(=O)CCN2C(=O)N3CC=C[C@H](N3C2=O)C(=O)NCC4CCC(CC4)C(=N)N)Br,
,,,NA:2:550,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1OYT,,,,,,,
,,,CA:H:701,Part of Protein,,,,,[Ca+2],
,,,FSN:H:501,valid,Ki,=,0.057,uM,c1cc(ccc1CN2C(=O)[C@H]3[C@@H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)C(=[NH2+])N)F,
,,,NA:H:601,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1TMT,,,,,,,
,,,DPN PRO ARG:I:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccccc2)CCC1)CCCNC(=[NH2+])N,
,,,NAG:J:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
3.1.2.15,,,,,,,,,
,Family. Representative Entry is ,2FOJ,,,,,,,
,,,GLY ALA ARG ALA HIS SER SER:B:361,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C)CCCNC(=[NH2+])N)C)Cc1nc[nH]c1)CO)CO,
,,2FOP,,,,,,,
,,,GLU LYS PRO SER SER SER:B:142,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCCC[NH3+])CCC1)CO)CO)CO,
,,4KG9,,,,,,,
,,,ARG VAL SER PRO SER THR SER TYR THR PRO:B:153,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CO)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)C(C)C)CO)CCC1)CO)C(O)C,
,,2FOO,,,,,,,
,,,GLU PRO GLY GLY SER ARG:B:358,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C1N(C(=O)C([NH3+])CCC(=O)[O-])CCC1)CO)CCCNC(=[NH2+])N,
1.14.15.-,,,,,,,,,
,Family. Representative Entry is ,3B9O,,,,,,,
,,,FMN:A:441,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:441,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3CV9,,,,,,,
,,,HEM:A:413,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VDX:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,5X7E,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7ZU:A:502,valid,,,,,C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,2ZBZ,,,,,,,
,,,HEM:A:413,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VDX:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,Family. Representative Entry is ,6G5Q,,,,,,,
,,,HEM:B:403,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EMZ:B:402,valid,Kd,=,0.98,mM,COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,EMZ:A:401,valid,Kd,=,0.98,mM,COC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
1.3.5.1,,,,,,,,,
,Family. Representative Entry is ,2H88,,,,,,,
,,,AZI:A:623,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:N:623,invalid,,,,,[N-]=[N+]=[N-],
,,,BHG:C:141,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,BHG:P:205,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,F3S:B:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:O:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:N:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:O:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:1009,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:622,Part of Protein,,,,,[K+],
,,,K:B:253,Part of Protein,,,,,[K+],
,,,K:N:622,Part of Protein,,,,,[K+],
,,,K:O:253,Part of Protein,,,,,[K+],
,,,SF4:B:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:O:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TEO:A:1002,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,TEO:N:1002,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,UNL:A:1003,invalid,,,,,NULL,
,,,UNL:A:1004,invalid,,,,,NULL,
,,,UNL:A:1005,invalid,,,,,NULL,
,,,UNL:A:1006,invalid,,,,,NULL,
,,,UNL:A:1007,invalid,,,,,NULL,
,,,UNL:A:1008,invalid,,,,,NULL,
,,,UNL:B:1007,invalid,,,,,NULL,
,,,UNL:B:1008,invalid,,,,,NULL,
,,,UNL:C:143,invalid,,,,,NULL,
,,,UNL:C:144,invalid,,,,,NULL,
,,,UNL:C:145,invalid,,,,,NULL,
,,,UNL:C:146,invalid,,,,,NULL,
,,,UNL:C:147,invalid,,,,,NULL,
,,,UNL:C:148,invalid,,,,,NULL,
,,,UNL:C:149,invalid,,,,,NULL,
,,,UNL:C:237,invalid,,,,,NULL,
,,,UNL:C:238,invalid,,,,,NULL,
,,,UNL:D:107,invalid,,,,,NULL,
,,,UNL:D:108,invalid,,,,,NULL,
,,,UNL:D:114,invalid,,,,,NULL,
,,,UNL:D:116,invalid,,,,,NULL,
,,,UNL:D:119,invalid,,,,,NULL,
,,,UNL:D:249,invalid,,,,,NULL,
,,,UNL:D:250,invalid,,,,,NULL,
,,,UNL:D:251,invalid,,,,,NULL,
,,,UNL:D:252,invalid,,,,,NULL,
,,,UNL:D:253,invalid,,,,,NULL,
,,,UNL:D:254,invalid,,,,,NULL,
,,,UNL:N:1003,invalid,,,,,NULL,
,,,UNL:N:1004,invalid,,,,,NULL,
,,,UNL:N:1005,invalid,,,,,NULL,
,,,UNL:N:1006,invalid,,,,,NULL,
,,,UNL:N:1007,invalid,,,,,NULL,
,,,UNL:N:1008,invalid,,,,,NULL,
,,,UNL:N:1009,invalid,,,,,NULL,
,,,UNL:N:1010,invalid,,,,,NULL,
,,,UNL:N:1011,invalid,,,,,NULL,
,,,UNL:N:1012,invalid,,,,,NULL,
,,,UNL:O:1007,invalid,,,,,NULL,
,,,UNL:O:1008,invalid,,,,,NULL,
,,,UNL:P:208,invalid,,,,,NULL,
,,,UNL:P:209,invalid,,,,,NULL,
,,,UNL:P:214,invalid,,,,,NULL,
,,,UNL:P:215,invalid,,,,,NULL,
,,,UNL:P:216,invalid,,,,,NULL,
,,,UNL:P:217,invalid,,,,,NULL,
,,,UNL:P:220,invalid,,,,,NULL,
,,,UNL:P:229,invalid,,,,,NULL,
,,,UNL:P:230,invalid,,,,,NULL,
,,,UNL:P:231,invalid,,,,,NULL,
,,,UNL:P:232,invalid,,,,,NULL,
,,,UNL:P:240,invalid,,,,,NULL,
,,,UNL:P:241,invalid,,,,,NULL,
,,,UNL:P:242,invalid,,,,,NULL,
,,,UNL:Q:212,invalid,,,,,NULL,
,,,UNL:Q:213,invalid,,,,,NULL,
,,,UNL:Q:218,invalid,,,,,NULL,
,,,UNL:Q:219,invalid,,,,,NULL,
,,,UNL:Q:228,invalid,,,,,NULL,
,,,UNL:Q:256,invalid,,,,,NULL,
,,,UNL UNL:B:1005,invalid,,,,,,
,,,UNL UNL:O:1005,invalid,,,,,,
,,1YQ3,,,,,,,
,,,F3S:B:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:1012,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:143,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEE:C:144,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:104,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,SF4:B:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TEO:A:1002,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,UNL:A:1003,invalid,,,,,NULL,
,,,UNL:A:1004,invalid,,,,,NULL,
,,,UNL:A:1005,invalid,,,,,NULL,
,,,UNL:A:1006,invalid,,,,,NULL,
,,,UNL:A:1007,invalid,,,,,NULL,
,,,UNL:A:1008,invalid,,,,,NULL,
,,,UNL:A:1009,invalid,,,,,NULL,
,,,UNL:A:1010,invalid,,,,,NULL,
,,,UNL:A:1011,invalid,,,,,NULL,
,,,UNL:A:1012,invalid,,,,,NULL,
,,,UNL:A:1013,invalid,,,,,NULL,
,,,UNL:A:1014,invalid,,,,,NULL,
,,,UNL:A:1015,invalid,,,,,NULL,
,,,UNL:A:1016,invalid,,,,,NULL,
,,,UNL:A:1017,invalid,,,,,NULL,
,,,UNL:B:1006,invalid,,,,,NULL,
,,,UNL:B:1007,invalid,,,,,NULL,
,,,UNL:B:1008,invalid,,,,,NULL,
,,,UNL:B:1009,invalid,,,,,NULL,
,,,UNL:B:1010,invalid,,,,,NULL,
,,,UNL:B:1011,invalid,,,,,NULL,
,,,UNL:C:203,invalid,,,,,NULL,
,,,UNL:C:211,invalid,,,,,NULL,
,,,UNL:C:212,invalid,,,,,NULL,
,,,UNL:C:226,invalid,,,,,NULL,
,,,UNL:D:204,invalid,,,,,NULL,
,,,UNL:D:205,invalid,,,,,NULL,
,,,UNL:D:209,invalid,,,,,NULL,
,,,UNL:D:218,invalid,,,,,NULL,
,,,UNL:D:228,invalid,,,,,NULL,
,,,UQ:B:1005,invalid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)/CCC=C(C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)CCC=C(C)CCC=C(C)C,
,,,JZR:C:142,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2H89,,,,,,,
,,,BHG:C:141,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,F3S:B:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:622,Part of Protein,,,,,[K+],
,,,K:B:253,Part of Protein,,,,,[K+],
,,,MLI:A:1002,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PEE:C:143,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:105,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,SF4:B:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNL:A:1003,invalid,,,,,NULL,
,,,UNL:A:1004,invalid,,,,,NULL,
,,,UNL:A:1005,invalid,,,,,NULL,
,,,UNL:A:1006,invalid,,,,,NULL,
,,,UNL:A:1007,invalid,,,,,NULL,
,,,UNL:A:1008,invalid,,,,,NULL,
,,,UNL:A:1009,invalid,,,,,NULL,
,,,UNL:A:1010,invalid,,,,,NULL,
,,,UNL:A:1011,invalid,,,,,NULL,
,,,UNL:A:1012,invalid,,,,,NULL,
,,,UNL:A:1013,invalid,,,,,NULL,
,,,UNL:A:1014,invalid,,,,,NULL,
,,,UNL:A:1015,invalid,,,,,NULL,
,,,UNL:A:1016,invalid,,,,,NULL,
,,,UNL:A:1017,invalid,,,,,NULL,
,,,UNL:B:1005,invalid,,,,,NULL,
,,,UNL:B:1006,invalid,,,,,NULL,
,,,UNL:B:1007,invalid,,,,,NULL,
,,,UNL:B:1008,invalid,,,,,NULL,
,,,UNL:B:1009,invalid,,,,,NULL,
,,,UNL:B:1010,invalid,,,,,NULL,
,,,UNL:B:1011,invalid,,,,,NULL,
,,,UNL:B:1012,invalid,,,,,NULL,
,,,UNL:B:1013,invalid,,,,,NULL,
,,,UNL:B:1014,invalid,,,,,NULL,
,,,UNL:C:144,invalid,,,,,NULL,
,,,UNL:C:145,invalid,,,,,NULL,
,,,UNL:C:146,invalid,,,,,NULL,
,,,UNL:C:147,invalid,,,,,NULL,
,,,UNL:C:148,invalid,,,,,NULL,
,,,UNL:C:149,invalid,,,,,NULL,
,,,UNL:C:150,invalid,,,,,NULL,
,,,UNL:C:151,invalid,,,,,NULL,
,,,UNL:C:152,invalid,,,,,NULL,
,,,UNL:D:109,invalid,,,,,NULL,
,,,UNL:D:110,invalid,,,,,NULL,
,,,UNL:D:122,invalid,,,,,NULL,
,,,UNL:D:125,invalid,,,,,NULL,
,,,UNL:D:132,invalid,,,,,NULL,
,,,UNL:D:142,invalid,,,,,NULL,
,,2FBW,,,,,,,
,,,AZI:A:623,invalid,,,,,[N-]=[N+]=[N-],
,,,BHG:C:142,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,BHG:P:204,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,CBE:C:144,valid,,,,,CC1=C(SCCO1)C(=O)Nc2ccccc2,
,,,CBE:P:202,valid,,,,,CC1=C(SCCO1)C(=O)Nc2ccccc2,
,,,F3S:B:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:O:1004,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:N:1001,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:O:1002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:B:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:294,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:208,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:143,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:P:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:622,Part of Protein,,,,,[K+],
,,,K:B:253,Part of Protein,,,,,[K+],
,,,K:N:622,Part of Protein,,,,,[K+],
,,,K:O:253,Part of Protein,,,,,[K+],
,,,PEE:D:109,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:Q:210,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,SF4:B:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:O:1003,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TEO:A:1002,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,TEO:N:1002,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,UNL:A:1003,invalid,,,,,NULL,
,,,UNL:A:1004,invalid,,,,,NULL,
,,,UNL:A:1005,invalid,,,,,NULL,
,,,UNL:A:1006,invalid,,,,,NULL,
,,,UNL:A:1007,invalid,,,,,NULL,
,,,UNL:A:1008,invalid,,,,,NULL,
,,,UNL:A:1009,invalid,,,,,NULL,
,,,UNL:A:1010,invalid,,,,,NULL,
,,,UNL:A:1011,invalid,,,,,NULL,
,,,UNL:A:1012,invalid,,,,,NULL,
,,,UNL:A:1013,invalid,,,,,NULL,
,,,UNL:A:1014,invalid,,,,,NULL,
,,,UNL:A:1015,invalid,,,,,NULL,
,,,UNL:A:1016,invalid,,,,,NULL,
,,,UNL:A:1017,invalid,,,,,NULL,
,,,UNL:A:1018,invalid,,,,,NULL,
,,,UNL:A:1019,invalid,,,,,NULL,
,,,UNL:A:1020,invalid,,,,,NULL,
,,,UNL:A:1021,invalid,,,,,NULL,
,,,UNL:A:1022,invalid,,,,,NULL,
,,,UNL:A:1023,invalid,,,,,NULL,
,,,UNL:B:1005,invalid,,,,,NULL,
,,,UNL:B:1006,invalid,,,,,NULL,
,,,UNL:B:1007,invalid,,,,,NULL,
,,,UNL:B:1008,invalid,,,,,NULL,
,,,UNL:B:1009,invalid,,,,,NULL,
,,,UNL:B:258,invalid,,,,,NULL,
,,,UNL:B:268,invalid,,,,,NULL,
,,,UNL:B:277,invalid,,,,,NULL,
,,,UNL:B:280,invalid,,,,,NULL,
,,,UNL:B:297,invalid,,,,,NULL,
,,,UNL:C:145,invalid,,,,,NULL,
,,,UNL:C:214,invalid,,,,,NULL,
,,,UNL:C:235,invalid,,,,,NULL,
,,,UNL:C:240,invalid,,,,,NULL,
,,,UNL:C:241,invalid,,,,,NULL,
,,,UNL:C:248,invalid,,,,,NULL,
,,,UNL:C:251,invalid,,,,,NULL,
,,,UNL:C:254,invalid,,,,,NULL,
,,,UNL:C:256,invalid,,,,,NULL,
,,,UNL:C:259,invalid,,,,,NULL,
,,,UNL:C:267,invalid,,,,,NULL,
,,,UNL:C:272,invalid,,,,,NULL,
,,,UNL:C:289,invalid,,,,,NULL,
,,,UNL:C:292,invalid,,,,,NULL,
,,,UNL:C:293,invalid,,,,,NULL,
,,,UNL:D:245,invalid,,,,,NULL,
,,,UNL:D:247,invalid,,,,,NULL,
,,,UNL:D:250,invalid,,,,,NULL,
,,,UNL:D:255,invalid,,,,,NULL,
,,,UNL:D:262,invalid,,,,,NULL,
,,,UNL:D:263,invalid,,,,,NULL,
,,,UNL:D:265,invalid,,,,,NULL,
,,,UNL:D:266,invalid,,,,,NULL,
,,,UNL:D:291,invalid,,,,,NULL,
,,,UNL:N:1003,invalid,,,,,NULL,
,,,UNL:N:1004,invalid,,,,,NULL,
,,,UNL:N:1005,invalid,,,,,NULL,
,,,UNL:N:1006,invalid,,,,,NULL,
,,,UNL:N:1007,invalid,,,,,NULL,
,,,UNL:N:1008,invalid,,,,,NULL,
,,,UNL:N:1009,invalid,,,,,NULL,
,,,UNL:N:1010,invalid,,,,,NULL,
,,,UNL:N:1011,invalid,,,,,NULL,
,,,UNL:N:1012,invalid,,,,,NULL,
,,,UNL:N:1013,invalid,,,,,NULL,
,,,UNL:N:1014,invalid,,,,,NULL,
,,,UNL:N:1015,invalid,,,,,NULL,
,,,UNL:N:1016,invalid,,,,,NULL,
,,,UNL:N:1017,invalid,,,,,NULL,
,,,UNL:N:1018,invalid,,,,,NULL,
,,,UNL:N:1019,invalid,,,,,NULL,
,,,UNL:N:1020,invalid,,,,,NULL,
,,,UNL:N:1021,invalid,,,,,NULL,
,,,UNL:N:1022,invalid,,,,,NULL,
,,,UNL:N:1023,invalid,,,,,NULL,
,,,UNL:O:1005,invalid,,,,,NULL,
,,,UNL:O:1006,invalid,,,,,NULL,
,,,UNL:O:1007,invalid,,,,,NULL,
,,,UNL:O:1008,invalid,,,,,NULL,
,,,UNL:O:276,invalid,,,,,NULL,
,,,UNL:O:282,invalid,,,,,NULL,
,,,UNL:P:211,invalid,,,,,NULL,
,,,UNL:P:218,invalid,,,,,NULL,
,,,UNL:P:224,invalid,,,,,NULL,
,,,UNL:P:233,invalid,,,,,NULL,
,,,UNL:P:236,invalid,,,,,NULL,
,,,UNL:P:274,invalid,,,,,NULL,
,,,UNL:P:285,invalid,,,,,NULL,
,,,UNL:Q:219,invalid,,,,,NULL,
,,,UNL:Q:221,invalid,,,,,NULL,
,,,UNL:Q:234,invalid,,,,,NULL,
,,,UNL:Q:237,invalid,,,,,NULL,
,,,UNL:Q:287,invalid,,,,,NULL,
,,,UNL:Q:288,invalid,,,,,NULL,
,Family. Representative Entry is ,2WDQ,,,,,,,
,,,CBE:C:1130,valid,,,,,CC1=C(SCCO1)C(=O)Nc2ccccc2,
,,,CBE:G:1130,valid,,,,,CC1=C(SCCO1)C(=O)Nc2ccccc2,
,,,CBE:K:1130,valid,,,,,CC1=C(SCCO1)C(=O)Nc2ccccc2,
,,,F3S:B:304,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:F:304,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:J:304,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:1129,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:1129,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:K:1129,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1590,Part of Protein,,,,,[Na+],
,,,NA:E:1590,Part of Protein,,,,,[Na+],
,,,NA:I:1590,Part of Protein,,,,,[Na+],
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:J:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:1591,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1591,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1591,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEO:A:1589,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,TEO:E:1589,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,,TEO:I:1589,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,Family. Representative Entry is ,1ZOY,,,,,,,
,,,EPH:D:1306,invalid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:D:1307,invalid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,F3S:B:304,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:700,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:1305,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UQ1:B:1201,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,Family. Representative Entry is ,4YSX,,,,,,,
,,,F3S:F:303,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:303,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,E23:B:304,valid,ic50,=,0.0055,uM,CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F,
,,,E23:G:202,valid,ic50,=,0.0055,uM,CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F,
,,,EPH:D:201,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:H:201,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,MLI:E:701,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:701,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FES:F:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.6.4.2,,,,,,,,,
,Family. Representative Entry is ,1GET,,,,,,,
,,,FAD:A:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:452,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:452,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1GEU,,,,,,,
,,,FAD:A:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:452,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:452,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1GES,,,,,,,
,,,FAD:A:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1GER,,,,,,,
,,,FAD:A:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.1.1.11,,,,,,,,,
,Family. Representative Entry is ,2NTB,,,,,,,
,,,ADA ADA ADA ADA ADA ADA:C:1,valid,Ki,=,16,mM,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,ADA ADA ADA ADA ADA ADA:D:1,valid,Ki,=,16,mM,O=C([O-])C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,2NTQ,,,,,,,
,,,ADA ADA ADA ADA M8C M8C:C:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(O)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5C(=O)[O-])OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,ADA ADA ADA ADA M8C M8C:D:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(O)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5C(=O)[O-])OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,2NST,,,,,,,
,,,ADA M8C M8C M8C ADA ADA:C:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)OC)O1,
,,,ADA M8C M8C M8C ADA ADA:D:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2C(=O)OC)O1,
,,2NT9,,,,,,,
,,,ADA M8C M8C M8C M8C ADA:C:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4C(=O)[O-])OC3C(=O)OC)OC2C(=O)OC)O1,
,,,ADA M8C M8C M8C M8C ADA:D:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(C(=O)[O-])O3)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4C(=O)[O-])OC3C(=O)OC)OC2C(=O)OC)O1,
,,2NTP,,,,,,,
,,,ADA ADA ADA ADA ADA M8C:C:1,valid,,,,,O=C(OC)C1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)OC6C(=O)[O-])OC5C(=O)[O-])OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,ADA ADA ADA ADA ADA SHB:D:1,valid,,,,,,
,,2NSP,,,,,,,
,,,M8C ADA ADA ADA M8C M8C:C:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(O)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5C(=O)OC)OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,,M8C ADA ADA ADA M8C M8C:D:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(O)C(C(=O)OC)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5C(=O)OC)OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])O1,
,,2NT6,,,,,,,
,,,M8C ADA ADA ADA ADA M8C:C:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)C(C(=O)OC)O6)C(C(=O)[O-])O5)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,,,M8C ADA ADA ADA ADA M8C:D:1,valid,,,,,O=C(OC)C1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)C(C(=O)OC)O6)C(C(=O)[O-])O5)C(C(=O)[O-])O4)C(C(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
2.7.1.5,,,,,,,,,
,Family. Representative Entry is ,2UYT,,,,,,,
,,,ADP:A:1482,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LRH:A:1481,valid,,,,,C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O,
,,2CGL,,,,,,,
,,,ADP PO3:A:1482,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,LFR:A:1481,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,,2CGJ,,,,,,,
,,,ADP:A:1482,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LFR:A:1481,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O,
3.6.1.59,,,,,,,,,
,Family. Representative Entry is ,5BV3,,,,,,,
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M7G:C:401,valid,Kd,=,68,nM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:A:401,valid,Kd,=,68,nM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
2.3.1.88,,,,,,,,,
,Family. Representative Entry is ,4KVX,,,,,,,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.14.11.-,,,,,,,,,
,Family. Representative Entry is ,4RFR,,,,,,,
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,RHN:B:301,valid,Kd,=,0.29,uM,c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)C(=O)O)C2=O,
,,3T4V,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,GOL:A:2000,invalid,,,,,C(C(CO)O)O,
,,,MD3:A:401,valid,ic50,=,0.5,uM,c1ccc2cc(ccc2c1)CSC[C@@H](C(=O)O)NC(=O)C(=O)O,
,,3T4H,,,,,,,
,,,EPE:B:1,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FE:B:300,Part of Protein,,,,,[Fe+3],
,,,MD5:B:217,valid,ic50,=,5.2,uM,c1cc(cc(c1)[N+](=O)[O-])CSC[C@@H](C(=O)O)NC(=O)C(=O)O,
,,2FD8,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,6YPV,,,,,,,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,3T3Y,,,,,,,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,MD6:A:401,valid,ic50,=,3.4,uM,c1cc(c(nc1)C(=O)NCC(=O)O)O,
,,3I3Q,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,2FDF,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CO:A:300,Part of Protein,,,,,[Co+2],
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,2FDH,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,3I2O,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,2FDK,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,2FDG,,,,,,,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,,SIN:A:400,valid,,,,,C(CC(=O)O)C(=O)O,
,,3I49,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  ME6 DT:B:501,valid,,,,,P(=O)(OCC1C(OP(=O)(OCC2C(O)CC(N3C(=O)NC(=O)C(C)=C3)O2)[O-])CC(N2C(=O)N(C)C(=N)C=C2)O1)(OC1C(COP(=O)([O-])[O-])OC(N2C(=O)NC(=O)C(C)=C2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,2FDJ,,,,,,,
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,3I3M,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  ME6 DT:B:501,valid,,,,,P(=O)(OCC1C(OP(=O)(OCC2C(O)CC(N3C(=O)NC(=O)C(C)=C3)O2)[O-])CC(N2C(=O)N(C)C(=N)C=C2)O1)(OC1C(COP(=O)([O-])[O-])OC(N2C(=O)NC(=O)C(C)=C2)C1)[O-],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,6Y0Q,,,,,,,
,,,O5W:A:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P-](=O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO[P-](=O)(=O)O)n4cnc5c4nc[n+](c5N)C)O,
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,2FDI,,,,,,,
,,,AKG:A:400,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DT  MA7 DT:B:501,valid,,,,,P(=O)(OCC1C(O)CC(N2C(=O)NC(=O)C(C)=C2)O1)(OC1C(COP(=O)(OC2C(COP(=O)([O-])[O-])OC(N3C(=O)NC(=O)C(C)=C3)C2)[O-])OC(n2c3N=CN(C)C(=N)c3nc2)C1)[O-],
,,,FE2:A:300,Part of Protein,,,,,[Fe+2],
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,6H4R,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,FQB:A:403,valid,Ki,=,0.004,nM,CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQB:C:403,valid,Ki,=,0.004,nM,CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQB:B:403,valid,Ki,=,0.004,nM,CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQB:D:403,valid,Ki,=,0.004,nM,CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,CL:C:404,invalid,,,,,[Cl-],
,,6H4T,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,DMS:D:406,invalid,,,,,CS(=O)C,
,,,DMS:D:407,invalid,,,,,CS(=O)C,
,,,FOW:D:403,valid,Ki,=,0.004,uM,c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FOW:C:403,valid,Ki,=,0.004,uM,c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FOW:A:403,valid,Ki,=,0.004,uM,c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FOW:B:403,valid,Ki,=,0.004,uM,c1ccc2c(c1)CCC23CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,5A7P,,,,,,,
,,,MN:B:1355,Part of Protein,,,,,[Mn+2],
,,,MN:A:1355,Part of Protein,,,,,[Mn+2],
,,,6Z1:A:1361,valid,,,,,Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O,
,,,6Z1:B:1361,valid,,,,,Cc1cc(no1)C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:B:1357,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1356,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1356,Part of Protein,,,,,[Zn+2],
,,,DMS:A:1362,invalid,,,,,CS(=O)C,
,,,DMS:B:1362,invalid,,,,,CS(=O)C,
,,5ANQ,,,,,,,
,,,SO4:B:1356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5YQ:A:1353,valid,ic50,=,3.98,uM,c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O,
,,,5YQ:B:1354,valid,ic50,=,3.98,uM,c1cc(cnc1)CNc2nccc(n2)c3cc(ccn3)C(=O)O,
,,,FE2:B:1355,Part of Protein,,,,,[Fe+2],
,,,FE2:A:1354,Part of Protein,,,,,[Fe+2],
,,,CL:B:1361,invalid,,,,,[Cl-],
,,,CL:B:1359,invalid,,,,,[Cl-],
,,,CL:B:1360,invalid,,,,,[Cl-],
,,,CL:A:1358,invalid,,,,,[Cl-],
,,,ZN:B:1358,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1357,Part of Protein,,,,,[Zn+2],
,,6H4Q,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,FO2:C:403,valid,ic50,=,2.06,uM,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:A:403,valid,ic50,=,2.06,uM,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:D:403,valid,ic50,=,2.06,uM,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:B:403,valid,ic50,=,2.06,uM,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,2OQ6,,,,,,,
,,,ALA ARG M3L SER THR GLY GLY ALY:C:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO)C(O)C)CCCCNC(=O)C,
,,,ALA ARG M3L SER THR GLY GLY ALY:D:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO)C(O)C)CCCCNC(=O)C,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,OGA:A:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,2OX0,,,,,,,
,,,ALA ARG MLY SER THR GLY GLY ALY:C:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH+](C)C)CO)C(O)C)CCCCNC(=O)C,
,,,ALA ARG MLY SER THR GLY GLY ALY:D:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH+](C)C)CO)C(O)C)CCCCNC(=O)C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,OGA:A:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,6H4S,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,FQE:C:403,valid,Ki,=,0.002,uM,CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQE:B:403,valid,Ki,=,0.002,uM,CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQE:D:403,valid,Ki,=,0.002,uM,CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQE:A:403,valid,Ki,=,0.002,uM,CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,CL:C:405,invalid,,,,,[Cl-],
,,5F3G,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,5UL:D:403,valid,ic50,=,0.126,uM,c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UL:C:403,valid,ic50,=,0.126,uM,c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UL:A:403,valid,ic50,=,0.126,uM,c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UL:B:403,valid,ic50,=,0.126,uM,c1cc(ccc1CC2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:C:406,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,CL:D:406,invalid,,,,,[Cl-],
,,5A7Q,,,,,,,
,,,MN:B:1355,Part of Protein,,,,,[Mn+2],
,,,MN:A:1354,Part of Protein,,,,,[Mn+2],
,,,MN:B:1356,invalid,,,,,[Mn+2],
,,,MN:A:1355,invalid,,,,,[Mn+2],
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,CL:A:1359,invalid,,,,,[Cl-],
,,,CL:B:1359,invalid,,,,,[Cl-],
,,,CL:A:1358,invalid,,,,,[Cl-],
,,,ZN:B:1358,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1357,Part of Protein,,,,,[Zn+2],
,,,KCH:A:1356,valid,,,,,c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O,
,,,KCH:B:1357,valid,,,,,c1cc(c(cc1N)c2cc(ccn2)C(=O)O)O,
,,6H4P,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,FQ5:B:403,valid,Ki,=,0.003,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQ5:C:403,valid,Ki,=,0.003,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQ5:A:403,valid,Ki,=,0.003,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQ5:D:403,valid,Ki,=,0.003,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,CL:D:406,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,5A7N,,,,,,,
,,,SO4:B:1356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1356,invalid,,,,,C(CO)O,
,,,EDO:A:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,VAO:B:4001,valid,,,,,c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O,
,,,VAO:A:4000,valid,,,,,c1cc(c(cc1C#N)c2cc(ccn2)C(=O)O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5F3E,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,5UO:B:403,valid,ic50,=,0.138,uM,c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UO:C:403,valid,ic50,=,0.138,uM,c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UO:A:403,valid,ic50,=,0.138,uM,c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,,5UO:D:403,valid,ic50,=,0.138,uM,c1cc(ccc1C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5)Cl,
,,2GP5,,,,,,,
,,,AKG:A:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,6H4V,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:D:406,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:D:407,invalid,,,,,CS(=O)C,
,,,FQN:D:403,valid,ic50,=,0.613,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5,
,,,FQN:A:403,valid,ic50,=,0.613,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5,
,,,FQN:B:403,valid,ic50,=,0.613,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5,
,,,FQN:C:403,valid,ic50,=,0.613,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5,
,,6H4O,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,FQH:C:403,valid,ic50,=,0.128,uM,c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQH:D:403,valid,ic50,=,0.128,uM,c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQH:A:403,valid,ic50,=,0.128,uM,c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQH:B:403,valid,ic50,=,0.128,uM,c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,2OT7,,,,,,,
,,,ALA ARG MLZ SER THR GLY GLY ALY:C:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH2+]C)CO)C(O)C)CCCCNC(=O)C,
,,,ALA ARG MLZ SER THR GLY GLY ALY:D:7,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH2+]C)CO)C(O)C)CCCCNC(=O)C,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,OGA:A:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,6H4U,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,FO2:C:403,valid,,,,,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:A:403,valid,,,,,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:D:403,valid,,,,,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,FO2:B:403,valid,,,,,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,5A7S,,,,,,,
,,,MN:B:1355,Part of Protein,,,,,[Mn+2],
,,,MN:A:1355,Part of Protein,,,,,[Mn+2],
,,,S2X:A:1364,valid,,,,,CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O,
,,,S2X:B:1365,valid,,,,,CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O,
,,,EDO:A:1361,invalid,,,,,C(CO)O,
,,,EDO:B:1362,invalid,,,,,C(CO)O,
,,,EDO:B:1363,invalid,,,,,C(CO)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1362,invalid,,,,,C(CO)O,
,,,EDO:A:1363,invalid,,,,,C(CO)O,
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1364,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1361,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:B:1357,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,ZN:B:1356,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1356,Part of Protein,,,,,[Zn+2],
,,,DMS:A:1365,invalid,,,,,CS(=O)C,
,,,DMS:B:1366,invalid,,,,,CS(=O)C,
,,4AI9,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,DZA:A:601,valid,,,,,CN(C)NC(=O)CCC(=O)O,
,,,DZA:A:605,valid,,,,,CN(C)NC(=O)CCC(=O)O,
,,,DZA:B:603,valid,,,,,CN(C)NC(=O)CCC(=O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,3U4S,,,,,,,
,,,ALA ARG M3L SER CYS GLY GLY LYS 08P:D:7,valid,Ki,=,114,nM,S(SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO)C(=O)NCC(=O)NCC(=O)NC(C=O)CCCC[NH3+])CC(NC(=O)C(=O)[O-])C(=O)[O-],
,,,ALA ARG M3L SER CYS GLY GLY LYS 08P:C:7,valid,Ki,=,114,nM,S(SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO)C(=O)NCC(=O)NCC(=O)NC(C=O)CCCC[NH3+])CC(NC(=O)C(=O)[O-])C(=O)[O-],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,3PDQ,,,,,,,
,,,CL:A:360,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,KC6:A:503,valid,ic50,=,0.18,uM,c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O,
,,,KC6:B:503,valid,ic50,=,0.18,uM,c1cnc(cc1C(=O)NCCN)c2cc(ccn2)C(=O)O,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,5F3C,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,5U8:B:403,valid,ic50,=,0.9,uM,CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F,
,,,5U8:D:403,valid,ic50,=,0.9,uM,CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F,
,,,5U8:C:403,valid,ic50,=,0.9,uM,CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F,
,,,5U8:A:403,valid,ic50,=,0.9,uM,CN(CCc1cnn(c1)c2c3c(ccn2)C(=O)NC=N3)Cc4ccc(cc4)F,
,,,CL:D:406,invalid,,,,,[Cl-],
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,5F32,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:408,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,5V7:B:403,valid,ic50,=,11.5,uM,c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N,
,,,5V7:A:403,valid,ic50,=,11.5,uM,c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N,
,,,5V7:C:403,valid,ic50,=,11.5,uM,c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N,
,,,5V7:D:403,valid,ic50,=,11.5,uM,c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N,
,,,DMS:C:405,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,4URA,,,,,,,
,,,NI:B:2501,Part of Protein,,,,,[Ni+2],
,,,NI:A:2501,Part of Protein,,,,,[Ni+2],
,,,ZN:B:2502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2502,Part of Protein,,,,,[Zn+2],
,,,LEL:A:4000,valid,ic50,=,0.00000316,uM,c1cnc(cc1C(=O)O)c2cn[nH]n2,
,,,LEL:B:4000,valid,ic50,=,0.00000316,uM,c1cnc(cc1C(=O)O)c2cn[nH]n2,
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5F2S,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:D:413,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:C:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:C:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:411,invalid,,,,,C(CO)O,
,,,EDO:C:410,invalid,,,,,C(CO)O,
,,,EDO:D:409,invalid,,,,,C(CO)O,
,,,EDO:D:410,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:D:412,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:D:414,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:D:415,invalid,,,,,CS(=O)C,
,,,DMS:C:413,invalid,,,,,CS(=O)C,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,,CL:D:404,invalid,,,,,[Cl-],
,,,5TZ:D:403,valid,ic50,=,0.2,uM,c1cnc(cc1C(=O)O)c2csc(n2)N,
,,,5TZ:C:403,valid,ic50,=,0.2,uM,c1cnc(cc1C(=O)O)c2csc(n2)N,
,,,5TZ:A:403,valid,ic50,=,0.2,uM,c1cnc(cc1C(=O)O)c2csc(n2)N,
,,,5TZ:B:403,valid,ic50,=,0.2,uM,c1cnc(cc1C(=O)O)c2csc(n2)N,
,,2YBK,,,,,,,
,,,2HG:A:601,valid,ic50,=,24,uM,C(CC(=O)O)[C@H](C(=O)O)O,
,,,2HG:B:601,valid,ic50,=,24,uM,C(CC(=O)O)[C@H](C(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,5TVR,,,,,,,
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,5A80,,,,,,,
,,,MN:B:1355,Part of Protein,,,,,[Mn+2],
,,,MN:A:1356,Part of Protein,,,,,[Mn+2],
,,,9CJ:A:1357,valid,,,,,COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O,
,,,9CJ:B:1356,valid,,,,,COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O,
,,,EDO:A:1361,invalid,,,,,C(CO)O,
,,,EDO:B:1362,invalid,,,,,C(CO)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1362,invalid,,,,,C(CO)O,
,,,EDO:A:1363,invalid,,,,,C(CO)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1361,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1358,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1357,Part of Protein,,,,,[Zn+2],
,,6H4Y,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:C:406,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,FO8:A:403,valid,ic50,=,0.077,uM,c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FO8:D:403,valid,ic50,=,0.077,uM,c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FO8:C:403,valid,ic50,=,0.077,uM,c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FO8:B:403,valid,ic50,=,0.077,uM,c1cc(ccc1CCN2CCOCC2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,5A7O,,,,,,,
,,,DMS:A:1370,invalid,,,,,CS(=O)C,
,,,DMS:B:1364,invalid,,,,,CS(=O)C,
,,,EDO:A:1365,invalid,,,,,C(CO)O,
,,,EDO:A:1361,invalid,,,,,C(CO)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1362,invalid,,,,,C(CO)O,
,,,EDO:A:1363,invalid,,,,,C(CO)O,
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1367,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1361,invalid,,,,,C(CO)O,
,,,EDO:A:1364,invalid,,,,,C(CO)O,
,,,EDO:A:1366,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:B:1357,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,ZN:B:1362,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1368,Part of Protein,,,,,[Zn+2],
,,,MN:B:1363,Part of Protein,,,,,[Mn+2],
,,,MN:A:1369,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7WH:B:1356,valid,,,,,COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O,
,,,7WH:A:1356,valid,,,,,COCC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O,
,,6CG1,,,,,,,
,,,NI:C:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,NI:D:501,Part of Protein,,,,,[Ni+2],
,,,QC1:C:503,valid,,,,,c1cc(ccc1CNc2cnccc2C(=O)O)F,
,,,QC1:A:503,valid,,,,,c1cc(ccc1CNc2cnccc2C(=O)O)F,
,,,QC1:D:503,valid,,,,,c1cc(ccc1CNc2cnccc2C(=O)O)F,
,,,QC1:B:503,valid,,,,,c1cc(ccc1CNc2cnccc2C(=O)O)F,
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,5F37,,,,,,,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:D:413,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:409,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:410,invalid,,,,,C(CO)O,
,,,EDO:D:409,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:D:410,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:D:412,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,N5J:D:403,valid,ic50,=,1.7,uM,c1cncc2c1C(=O)NC=N2,
,,,N5J:B:403,valid,ic50,=,1.7,uM,c1cncc2c1C(=O)NC=N2,
,,,N5J:A:403,valid,ic50,=,1.7,uM,c1cncc2c1C(=O)NC=N2,
,,,N5J:C:403,valid,ic50,=,1.7,uM,c1cncc2c1C(=O)NC=N2,
,,,DMS:A:417,invalid,,,,,CS(=O)C,
,,,DMS:B:418,invalid,,,,,CS(=O)C,
,,,DMS:C:411,invalid,,,,,CS(=O)C,
,,,DMS:D:414,invalid,,,,,CS(=O)C,
,,,DMS:A:416,invalid,,,,,CS(=O)C,
,,6H4X,,,,,,,
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,FNQ:B:403,valid,ic50,=,0.131,uM,c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FNQ:D:403,valid,ic50,=,0.131,uM,c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FNQ:C:403,valid,ic50,=,0.131,uM,c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,,FNQ:A:403,valid,ic50,=,0.131,uM,c1cc(cnc1)c2ccc(cc2)C3CCN(CC3)CCc4cnn(c4)c5c6c(ccn5)C(=O)NC=N6,
,,6CG2,,,,,,,
,,,NI:C:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,NI:D:501,Part of Protein,,,,,[Ni+2],
,,,QC2:C:503,valid,,,,,c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O,
,,,QC2:A:503,valid,,,,,c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O,
,,,QC2:B:503,valid,,,,,c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O,
,,,QC2:D:503,valid,,,,,c1cc(cc(c1)O)c2ccnn2c3cc(ccn3)C(=O)O,
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,2OQ7,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,5FPV,,,,,,,
,,,ZN:A:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1359,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1359,Part of Protein,,,,,[Zn+2],
,,,NI:H:1361,Part of Protein,,,,,[Ni+2],
,,,NI:D:1361,invalid,,,,,[Ni+2],
,,,NI:G:1360,invalid,,,,,[Ni+2],
,,,NI:D:1360,invalid,,,,,[Ni+2],
,,,NI:D:1362,invalid,,,,,[Ni+2],
,,,NI:C:1361,invalid,,,,,[Ni+2],
,,,NI:A:1362,invalid,,,,,[Ni+2],
,,,NI:H:1362,invalid,,,,,[Ni+2],
,,,NI:B:1361,invalid,,,,,[Ni+2],
,,,NI:C:1360,invalid,,,,,[Ni+2],
,,,NI:A:1360,Part of Protein,,,,,[Ni+2],
,,,NI:H:1360,invalid,,,,,[Ni+2],
,,,NI:B:1360,invalid,,,,,[Ni+2],
,,,NI:H:1363,invalid,,,,,[Ni+2],
,,,NI:A:1361,invalid,,,,,[Ni+2],
,,,MN:F:1357,Part of Protein,,,,,[Mn+2],
,,,MN:C:1357,Part of Protein,,,,,[Mn+2],
,,,MN:D:1357,Part of Protein,,,,,[Mn+2],
,,,MN:E:1357,Part of Protein,,,,,[Mn+2],
,,,MN:H:1357,Part of Protein,,,,,[Mn+2],
,,,MN:G:1357,Part of Protein,,,,,[Mn+2],
,,,MN:A:1357,Part of Protein,,,,,[Mn+2],
,,,MN:B:1357,Part of Protein,,,,,[Mn+2],
,,,MMK:H:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:D:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:E:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:F:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:B:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:A:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:C:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:G:1358,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,5F3I,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,5UJ:A:403,valid,ic50,=,0.08,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl,
,,,5UJ:C:403,valid,ic50,=,0.08,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl,
,,,5UJ:B:403,valid,ic50,=,0.08,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl,
,,,5UJ:D:403,valid,ic50,=,0.08,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)CCN4CCC(CC4)c5cc(cc(c5)Cl)Cl,
,Family. Representative Entry is ,6H8P,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:504,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,2Q8C,,,,,,,
,,,AKG:A:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:504,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:502,Part of Protein,,,,,[Ni+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,5A7W,,,,,,,
,,,35M:A:1355,valid,,,,,c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O,
,,,35M:B:1355,valid,,,,,c1cc(ccc1C(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O)O,
,,,EDO:B:1360,invalid,,,,,C(CO)O,
,,,EDO:B:1358,invalid,,,,,C(CO)O,
,,,EDO:B:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,MN:B:1356,Part of Protein,,,,,[Mn+2],
,,,MN:A:1356,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1357,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1357,Part of Protein,,,,,[Zn+2],
,,,DMS:B:1361,invalid,,,,,CS(=O)C,
,,,DMS:A:1360,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3AVR,,,,,,,
,,,CL:A:1402,invalid,,,,,[Cl-],
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,NI:A:1503,Part of Protein,,,,,[Ni+2],
,,,OGA:A:1501,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4CCO,,,,,,,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,OGA:B:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5FP3,,,,,,,
,,,BCN:B:2640,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:2640,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:2641,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:2641,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MG:B:2639,Part of Protein,,,,,[Mg+2],
,,,MG:A:2642,invalid,,,,,[Mg+2],
,,,MG:B:2642,invalid,,,,,[Mg+2],
,,,MG:A:2639,invalid,,,,,[Mg+2],
,,,CO:A:3000,Part of Protein,,,,,[Co+2],
,,,CO:B:3000,Part of Protein,,,,,[Co+2],
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2000,Part of Protein,,,,,[Zn+2],
,,,YC8:B:1,valid,ic50,=,1.259,uM,c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O,
,,,YC8:A:1,valid,ic50,=,1.259,uM,c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O,
,,4ASK,,,,,,,
,,,CO:A:3000,Part of Protein,,,,,[Co+2],
,,,CO:B:3000,Part of Protein,,,,,[Co+2],
,,,K0I:A:2639,valid,,,,,c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O,
,,,K0I:B:2639,valid,,,,,c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O,
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2000,Part of Protein,,,,,[Zn+2],
,,4EYU,,,,,,,
,,,NI:A:1701,Part of Protein,,,,,[Ni+2],
,,,NI:B:1701,Part of Protein,,,,,[Ni+2],
,,,OGA:A:1700,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:1700,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:1702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1702,Part of Protein,,,,,[Zn+2],
,,2XUE,,,,,,,
,,,AKG:A:4000,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:4000,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:3000,Part of Protein,,,,,[Fe+3],
,,,FE:B:3000,Part of Protein,,,,,[Fe+3],
,,,SO4:A:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2000,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3KT7,,,,,,,
,,,AKG:A:702,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:701,Part of Protein,,,,,[Fe+3],
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6F6J,,,,,,,
,,,SIN:B:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,CUW:B:403,valid,,,,,C(C[C@H]([C@@H](C(=O)O)N)O)CN,
,,,CUW:C:403,valid,,,,,C(C[C@H]([C@@H](C(=O)O)N)O)CN,
,,,CUW:A:403,valid,,,,,C(C[C@H]([C@@H](C(=O)O)N)O)CN,
,,,CUW:D:403,valid,,,,,C(C[C@H]([C@@H](C(=O)O)N)O)CN,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:D:404,invalid,,,,,CC(=O)[O-],
,,6F2A,,,,,,,
,,,ACY:C:403,invalid,,,,,CC(=O)O,
,,,ACY:A:405,invalid,,,,,CC(=O)O,
,,,ACY:D:403,invalid,,,,,CC(=O)O,
,,,ACY:A:404,invalid,,,,,CC(=O)O,
,,,ACY:C:404,invalid,,,,,CC(=O)O,
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,LYS:A:403,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,CL:A:406,invalid,,,,,[Cl-],
,,6F2B,,,,,,,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:C:401,Part of Protein,,,,,[Fe+2],
,,,FE2:D:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,5ZM4,,,,,,,
,,,9FU:D:303,valid,,,,,CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FU:B:303,valid,,,,,CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FU:C:303,valid,,,,,CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FU:A:303,valid,,,,,CC1=C2[C@](CC3[C@@](O2)(CC[C@@H]4[C@@]3(C=CC(=O)C4(C)C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:C:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:D:301,Part of Protein,,,,,[Fe+3],
,,5ZM3,,,,,,,
,,,9FR:A:303,valid,,,,,CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FR:B:303,valid,,,,,CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FR:D:303,valid,,,,,CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,9FR:C:303,valid,,,,,CC1=C2[C@](C[C@@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3(O2)C)(C)C)C)(C5=C(C1=O)C(=O)OC5)C,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:C:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:D:301,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6GDY,,,,,,,
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EPE:A:409,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:410,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,AKG:B:402,valid,Kd,=,3.5,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:402,valid,Kd,=,3.5,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,NA:A:403,invalid,,,,,[Na+],
,Family. Representative Entry is ,3HQR,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,OGA:A:600,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,3HQU,,,,,,,
,,,FE2:A:450,Part of Protein,,,,,[Fe+2],
,,,UN9:A:500,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,Family. Representative Entry is ,5A3T,,,,,,,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,EDO:A:1760,invalid,,,,,C(CO)O,
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1758,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1761,invalid,,,,,C(CO)O,
,,,EDO:A:1759,invalid,,,,,C(CO)O,
,,,MMK:A:1756,valid,Ki,=,0.001,uM,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MN:A:1765,invalid,,,,,[Mn+2],
,,,NI:A:1757,invalid,,,,,[Ni+2],
,,,EPE:A:1755,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6H51,,,,,,,
,,,MN:A:804,Part of Protein,,,,,[Mn+2],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,DMS:A:808,invalid,,,,,CS(=O)C,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,DMS:A:809,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,ZN:A:801,invalid,,,,,[Zn+2],
,,,ZN:A:802,invalid,,,,,[Zn+2],
,,,FQK:A:816,valid,Ki,=,0.016,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)CC5CCC5,
,,,PO4:A:815,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6H4Z,,,,,,,
,,,MN:A:804,Part of Protein,,,,,[Mn+2],
,,,MN:A:822,invalid,,,,,[Mn+2],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:820,invalid,,,,,C(CO)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,DMS:A:814,invalid,,,,,CS(=O)C,
,,,DMS:A:808,invalid,,,,,CS(=O)C,
,,,DMS:A:812,invalid,,,,,CS(=O)C,
,,,DMS:A:815,invalid,,,,,CS(=O)C,
,,,DMS:A:809,invalid,,,,,CS(=O)C,
,,,DMS:A:810,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,,DMS:A:813,invalid,,,,,CS(=O)C,
,,,DMS:A:811,invalid,,,,,CS(=O)C,
,,,FQ5:A:806,valid,Ki,=,0.002,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,,FQ5:A:805,valid,Ki,=,0.002,uM,c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5,
,,5A3N,,,,,,,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,EPE:A:1762,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EDO:A:1768,invalid,,,,,C(CO)O,
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1765,invalid,,,,,C(CO)O,
,,,EDO:A:1766,invalid,,,,,C(CO)O,
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,MN:A:1756,Part of Protein,,,,,[Mn+2],
,,,MN:A:1757,invalid,,,,,[Mn+2],
,,,PO4:A:1761,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:1760,invalid,,,,,CS(=O)C,
,,,LQT:A:1759,valid,ic50,=,19,nM,CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N,
,,6H52,,,,,,,
,,,MN:A:804,Part of Protein,,,,,[Mn+2],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,DMS:A:808,invalid,,,,,CS(=O)C,
,,,DMS:A:809,invalid,,,,,CS(=O)C,
,,,DMS:A:810,invalid,,,,,CS(=O)C,
,,,DMS:A:807,invalid,,,,,CS(=O)C,
,,,DMS:A:811,invalid,,,,,CS(=O)C,
,,,PO4:A:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,FQN:A:813,valid,ic50,=,0.068,uM,c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN(CC4)C5CCCC5,
,,5A3W,,,,,,,
,,,PD2:A:1757,valid,Ki,=,0.39,uM,c1cnc(cc1C(=O)O)C(=O)O,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,ZN:A:1755,invalid,,,,,[Zn+2],
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1761,invalid,,,,,C(CO)O,
,,,EPE:A:1760,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:1756,Part of Protein,,,,,[Na+],
,,,PO4:A:1759,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6H50,,,,,,,
,,,MN:A:804,Part of Protein,,,,,[Mn+2],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,PO4:A:808,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:810,invalid,,,,,CS(=O)C,
,,,DMS:A:814,invalid,,,,,CS(=O)C,
,,,DMS:A:812,invalid,,,,,CS(=O)C,
,,,DMS:A:813,invalid,,,,,CS(=O)C,
,,,DMS:A:811,invalid,,,,,CS(=O)C,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,FO2:A:809,valid,ic50,=,0.156,uM,CN1CCC(CC1)c2cnn(c2)c3c4c(ccn3)C(=O)NC=N4,
,,5FPL,,,,,,,
,,,EDO:A:1755,invalid,,,,,C(CO)O,
,,,EDO:A:1756,invalid,,,,,C(CO)O,
,,,MN  QAY:A:802,valid,,,,,,
,,,ZN:A:800,invalid,,,,,[Zn+2],
,,,DMS:A:1757,invalid,,,,,CS(=O)C,
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,,5FPU,,,,,,,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,ZN:A:1755,invalid,,,,,[Zn+2],
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,MN:A:1757,Part of Protein,,,,,[Mn+2],
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1765,invalid,,,,,C(CO)O,
,,,EDO:A:1766,invalid,,,,,C(CO)O,
,,,PO4:A:1759,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1760,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K0I:A:1756,valid,Ki,=,0.14,uM,c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O,
,,,EPE:A:1761,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5FUP,,,,,,,
,,,CL:A:1762,invalid,,,,,[Cl-],
,,,EDO:A:2763,invalid,,,,,C(CO)O,
,,,EDO:A:2765,invalid,,,,,C(CO)O,
,,,EDO:A:2764,invalid,,,,,C(CO)O,
,,,EDO:A:2768,invalid,,,,,C(CO)O,
,,,EDO:A:2762,invalid,,,,,C(CO)O,
,,,EDO:A:2769,invalid,,,,,C(CO)O,
,,,EDO:A:2766,invalid,,,,,C(CO)O,
,,,EDO:A:2767,invalid,,,,,C(CO)O,
,,,EDO:A:2760,invalid,,,,,C(CO)O,
,,,ZN:A:1755,invalid,,,,,[Zn+2],
,,,ZN:A:1756,invalid,,,,,[Zn+2],
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,MN:A:1757,invalid,,,,,[Mn+2],
,,,AKG:A:1764,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,EPE:A:1759,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5FV3,,,,,,,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,EDO:A:1768,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1761,invalid,,,,,C(CO)O,
,,,EDO:A:1766,invalid,,,,,C(CO)O,
,,,EDO:A:1760,invalid,,,,,C(CO)O,
,,,EDO:A:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1765,invalid,,,,,C(CO)O,
,,,DMS:A:1756,invalid,,,,,CS(=O)C,
,,,DMS:A:1755,invalid,,,,,CS(=O)C,
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,MN:A:1757,invalid,,,,,[Mn+2],
,,,OGA:A:1770,valid,Ki,=,6.32,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,CL:A:1769,invalid,,,,,[Cl-],
,,,EPE:A:1759,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5A1F,,,,,,,
,,,MN:A:1758,invalid,,,,,[Mn+2],
,,,MN:A:1757,Part of Protein,,,,,[Mn+2],
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,ZN:A:1755,invalid,,,,,[Zn+2],
,,,EDO:A:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1761,invalid,,,,,C(CO)O,
,,,EDO:A:1765,invalid,,,,,C(CO)O,
,,,EDO:A:1766,invalid,,,,,C(CO)O,
,,,EPE:A:1760,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,OGA:A:1756,valid,Ki,=,6.32,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,PO4:A:1759,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FUN,,,,,,,
,,,ZN:A:1754,invalid,,,,,[Zn+2],
,,,ZN:A:1755,invalid,,,,,[Zn+2],
,,,EDO:A:1763,invalid,,,,,C(CO)O,
,,,EDO:A:1762,invalid,,,,,C(CO)O,
,,,EDO:A:1764,invalid,,,,,C(CO)O,
,,,EDO:A:1761,invalid,,,,,C(CO)O,
,,,EPE:A:1760,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:1758,Part of Protein,,,,,[Na+],
,,,GZA:A:1756,valid,Ki,=,0.01,uM,c1ccc(cc1)Cn2cc(cn2)OC3=Nc4cnccc4C(=O)N3,
,,,PO4:A:1759,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MN:A:1757,invalid,,,,,[Mn+2],
,Family. Representative Entry is ,4Y3O,,,,,,,
,,,ACT:B:706,invalid,,,,,CC(=O)[O-],
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,NI:A:701,Part of Protein,,,,,[Ni+2],
,,,NI:B:701,Part of Protein,,,,,[Ni+2],
,,,OGA:A:702,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:702,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,5KR7,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,6X9:A:403,valid,ic50,=,2.88,uM,CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C,
,,,6X9:B:403,valid,ic50,=,2.88,uM,CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,4XDO,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,OGA:A:403,valid,ic50,=,84,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:403,valid,ic50,=,84,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:B:402,Part of Protein,,,,,[Fe+3],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2YBP,,,,,,,
,,,2HG:A:1359,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)O,
,,,2HG:B:1358,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)O,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,NI:A:1356,Part of Protein,,,,,[Ni+2],
,,,NI:B:1356,Part of Protein,,,,,[Ni+2],
,,,ZN:A:1357,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1357,Part of Protein,,,,,[Zn+2],
,,2YBS,,,,,,,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,NI:A:1356,Part of Protein,,,,,[Ni+2],
,,,NI:B:1356,Part of Protein,,,,,[Ni+2],
,,,S2G:A:1359,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)O,
,,,S2G:B:1358,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)O,
,,,ZN:A:1357,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1357,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4BXF,,,,,,,
,,,AKG:B:901,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:901,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2OS2,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,OGA:A:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:500,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5FWJ,,,,,,,
,,,MMK:B:1775,valid,Ki,=,0.0061,uM,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:A:1775,valid,Ki,=,0.0061,uM,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MN:A:1772,Part of Protein,,,,,[Mn+2],
,,,MN:B:1772,Part of Protein,,,,,[Mn+2],
,,,MG:A:1773,invalid,,,,,[Mg+2],
,,,MG:A:805,invalid,,,,,[Mg+2],
,,,MG:B:1774,invalid,,,,,[Mg+2],
,,,MG:A:1774,invalid,,,,,[Mg+2],
,,,MG:B:1773,invalid,,,,,[Mg+2],
,,,ZN:A:1770,invalid,,,,,[Zn+2],
,,,ZN:B:1770,invalid,,,,,[Zn+2],
,,,ZN:A:1771,invalid,,,,,[Zn+2],
,,,ZN:B:1771,invalid,,,,,[Zn+2],
,Family. Representative Entry is ,5LY2,,,,,,,
,,,NI:C:501,Part of Protein,,,,,[Ni+2],
,,,NI:D:402,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:402,Part of Protein,,,,,[Ni+2],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,OGA:B:405,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:504,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:503,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:D:405,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2Q8E,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:502,Part of Protein,,,,,[Ni+2],
,,,OGA:A:503,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:504,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,2Q8D,,,,,,,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:502,Part of Protein,,,,,[Ni+2],
,,,SIN:A:503,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:504,valid,,,,,C(CC(=O)O)C(=O)O,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6FUL,,,,,,,
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG0:A:1510,valid,ic50,=,12,uM,COCCOCCO,
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,MN:A:1502,Part of Protein,,,,,[Mn+2],
,,,E7Z:A:1501,valid,,,,,CN1C=C(C(=O)C=C1C(=O)O)O,
,,6FUK,,,,,,,
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1503,Part of Protein,,,,,[Zn+2],
,,,PEG:A:1506,invalid,,,,,C(COCCO)O,
,,,PEG:A:1507,invalid,,,,,C(COCCO)O,
,,,PG0:A:1508,invalid,,,,,COCCOCCO,
,,,MN:A:1501,Part of Protein,,,,,[Mn+2],
,,,8XQ:A:1502,valid,,,,,c1cc2c(ccc(c2nc1)O)C(=O)O,
,,3AVS,,,,,,,
,,,CL:A:1506,invalid,,,,,[Cl-],
,,,EDO:A:1507,invalid,,,,,C(CO)O,
,,,EDO:A:1508,invalid,,,,,C(CO)O,
,,,EDO:A:1509,invalid,,,,,C(CO)O,
,,,EDO:A:1510,invalid,,,,,C(CO)O,
,,,EDO:A:1511,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,EDO:A:1513,invalid,,,,,C(CO)O,
,,,EDO:A:1514,invalid,,,,,C(CO)O,
,,,EDO:A:1515,invalid,,,,,C(CO)O,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,NI:A:1503,Part of Protein,,,,,[Ni+2],
,,,NI:A:1504,Part of Protein,,,,,[Ni+2],
,,,NI:A:1505,Part of Protein,,,,,[Ni+2],
,,,OGA:A:1501,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,6G8F,,,,,,,
,,,K0I:A:1503,valid,,,,,c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O,
,,,CL:A:1508,invalid,,,,,[Cl-],
,,,DMS:A:1507,invalid,,,,,CS(=O)C,
,,,DMS:A:1504,invalid,,,,,CS(=O)C,
,,,DMS:A:1506,invalid,,,,,CS(=O)C,
,,,DMS:A:1505,invalid,,,,,CS(=O)C,
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,MN:A:1501,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4OCT,,,,,,,
,,,UNX:B:508,invalid,,,,,*,
,,,UNX:B:512,invalid,,,,,*,
,,,UNX:A:506,invalid,,,,,*,
,,,UNX:B:506,invalid,,,,,*,
,,,UNX:A:503,invalid,,,,,*,
,,,UNX:B:514,invalid,,,,,*,
,,,UNX:B:510,invalid,,,,,*,
,,,UNX:B:513,invalid,,,,,*,
,,,UNX:A:505,invalid,,,,,*,
,,,UNX:A:509,invalid,,,,,*,
,,,UNX:B:505,invalid,,,,,*,
,,,UNX:B:516,invalid,,,,,*,
,,,UNX:B:509,invalid,,,,,*,
,,,UNX:A:508,invalid,,,,,*,
,,,UNX:B:503,invalid,,,,,*,
,,,UNX:B:511,invalid,,,,,*,
,,,UNX:B:507,invalid,,,,,*,
,,,UNX:A:510,invalid,,,,,*,
,,,UNX:B:504,invalid,,,,,*,
,,,UNX:A:511,invalid,,,,,*,
,,,UNX:A:507,invalid,,,,,*,
,,,UNX:B:515,invalid,,,,,*,
,,,UNX:A:504,invalid,,,,,*,
,,,AKG:B:502,valid,ic50,=,9,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:502,valid,ic50,=,9,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,4O61,,,,,,,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNL:A:303,invalid,,,,,NULL,
,,,UNL:B:303,invalid,,,,,NULL,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:302,valid,Kd,=,50,uM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,Kd,=,50,uM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4LIT,,,,,,,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,Family. Representative Entry is ,4P7X,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YCP:A:303,valid,,,,,C1CCN[C@@H](C1)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CXS:A:309,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:A:308,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,4P7W,,,,,,,
,,,PRO:A:303,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,5FWE,,,,,,,
,,,NI:B:1356,Part of Protein,,,,,[Ni+2],
,,,NI:A:1355,Part of Protein,,,,,[Ni+2],
,,,CL:A:1357,invalid,,,,,[Cl-],
,,,CL:B:1358,invalid,,,,,[Cl-],
,,,GOL:B:1360,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:1358,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:1359,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:1356,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1357,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2P5B,,,,,,,
,,,OGA:A:401,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OXY:A:501,invalid,,,,,O=O,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:B:503,invalid,,,,,O=O,
,,,ZN:A:351,Part of Protein,,,,,[Zn+2],
,,,ZN:B:351,Part of Protein,,,,,[Zn+2],
,,,FE2:A:352,Part of Protein,,,,,[Fe+2],
,,,FE2:B:352,Part of Protein,,,,,[Fe+2],
,,2PXJ,,,,,,,
,,,FE2:A:3001,Part of Protein,,,,,[Fe+2],
,,,FE2:B:4001,Part of Protein,,,,,[Fe+2],
,,,OGA:A:5001,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:6001,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5IVE,,,,,,,
,,,6E8:A:601,valid,Kd,=,0.027,uM,CC1=C(C(=O)n2c(c(cn2)C#N)N1)C(C)C,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6DQA,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,H6V:A:601,valid,,,,,c1cc(cc(c1)N)[C@H](c2cc3c(s2)c(ccn3)C(=O)O)OCCN4CCCCC4,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BGX,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,DKV:A:601,valid,Kd,=,0.47,uM,c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCC4CCC(CC4)(F)F)Cl,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BGV,,,,,,,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,DQG:A:601,valid,Kd,=,0.18,uM,c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl,
,,5IVY,,,,,,,
,,,6EO:A:601,valid,Kd,=,0.36,uM,c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6DQ5,,,,,,,
,,,H6G:A:601,valid,Kd,=,6.4,uM,C=CC(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6DQ8,,,,,,,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,MN:A:603,invalid,,,,,[Mn+2],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,H6S:A:601,valid,Kd,=,0.26,uM,CN1CCC[C@H]1CCO[C@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O,
,,,H6T:A:602,valid,Kd,=,0.26,uM,CN1CCC[C@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c(s3)c(ccn4)C(=O)O,
,,5IWF,,,,,,,
,,,LQT:A:601,valid,,,,,CCN(CCN(C)C)C(=O)CNCc1cc(ccn1)C(=O)N,
,,5IVC,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,6E7:A:601,valid,Kd,=,1.2,uM,c1ccc(cc1)CCNC(=O)c2ccnc(c2)c3cc(ccn3)C(=O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,6BH2,,,,,,,
,,,90V:A:604,valid,Kd,=,2.4,uM,CC(C)c1cc([nH]n1)C(=O)N2CC[C@H](C2)NC(=O)C3CC3,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MN:A:601,invalid,,,,,[Mn+2],
,,5IVV,,,,,,,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,6EN:A:601,valid,Kd,=,0.45,uM,Cn1cc(c2c1nccc2)Nc3cnccc3C(=O)O,
,,5ISL,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MMK:A:601,valid,Kd,=,0.052,uM,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,6BH5,,,,,,,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,DNY:A:601,valid,Kd,=,0.25,uM,c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCCN4CCCCC4)Cl,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,5E6H,,,,,,,
,,,MN:A:601,invalid,,,,,[Mn+2],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,AKG:A:602,valid,Kd,=,79,uM,C(CC(=O)O)C(=O)C(=O)O,
,,6BGU,,,,,,,
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,DKP:A:601,valid,Kd,=,0.53,uM,CCCO[C@H](c1ccccc1Cl)c2cc3c([nH]2)c(ccn3)C(=O)O,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6DQ6,,,,,,,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,H6J:A:601,valid,Kd,=,8.5,uM,C=CS(=O)(=O)N1CCCN(CC1)c2cc(nc(n2)c3ccccn3)NCCC(=O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BH1,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,DQG:A:601,valid,Kd,=,0.06,uM,c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl,
,,6DQ4,,,,,,,
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,K0I:A:601,valid,Kd,=,12,uM,c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCC(=O)O,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,5IW0,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,AKG:A:602,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:603,invalid,,,,,[Mn+2],
,,,6EP:A:601,valid,Kd,=,0.06,uM,Cc1cc(ccc1COc2ccnn2c3cc(ccn3)C(=O)O)Cl,
,,6BGY,,,,,,,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DLJ:A:601,valid,Kd,=,0.15,uM,CN1CCC[C@@H]1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,5IVJ,,,,,,,
,,,6ED:A:601,valid,Kd,=,0.046,uM,c1cc2c(cc1F)c(nn2CCN3CCC(CC3)(F)F)Nc4cnccc4C(=O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,6BH4,,,,,,,
,,,DQS:A:601,valid,,,,,CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3cnn(c3)C(C)(C)C,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,5IVB,,,,,,,
,,,AKG:A:601,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,5IVF,,,,,,,
,,,6EB:A:601,valid,,,,,Cn1cc(nc1)c2c3c(ccn2)c(nc(n3)OCCCC(F)(F)F)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BH0,,,,,,,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DO1:A:601,valid,Kd,=,0.22,uM,c1ccc(c(c1)[C@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCCCC4)Cl,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BGZ,,,,,,,
,,,DNV:A:601,valid,Kd,=,0.41,uM,Cn1ccnc1CCO[C@@H](c2ccccc2Cl)c3cc4c([nH]3)c(ccn4)C(=O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BH3,,,,,,,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,DQJ:A:601,valid,,,,,CC(C)c1cc(n[nH]1)C(=O)N2CC[C@@H](C2)NC(=O)C3CC3,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MN:A:602,invalid,,,,,[Mn+2],
,,6BGW,,,,,,,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,DKS:A:601,valid,Kd,=,0.21,uM,c1ccc(c(c1)[C@@H](c2cc3c([nH]2)c(ccn3)C(=O)O)OCCN4CCC(CC4)(F)F)Cl,
,,,MN:A:602,invalid,,,,,[Mn+2],
,Family. Representative Entry is ,6EXF,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,LYS:A:403,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:D:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,6EUR,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,4CCN,,,,,,,
,,,OGA:B:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6KUN,,,,,,,
,,,AKG:B:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,IAC:A:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:B:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,Family. Representative Entry is ,5FP4,,,,,,,
,,,FE2:A:360,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,YC8:A:1344,valid,ic50,=,0.251,uM,c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O,
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,5FP7,,,,,,,
,,,FE2:A:360,Part of Protein,,,,,[Fe+2],
,,,SO4:A:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,YC8:A:1344,valid,,,,,c1ccc(cc1)CCCC(=O)Nc2cnccc2C(=O)O,
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,5F5C,,,,,,,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5V3:A:411,valid,,,,,c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3,
,,5FP8,,,,,,,
,,,SO4:A:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AUY:A:1341,valid,,,,,Cc1cc(sc1)CNc2cnccc2C(=O)O,
,,,CO:A:360,Part of Protein,,,,,[Co+2],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,5F5A,,,,,,,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,5V0:A:403,valid,,,,,c1cc(oc1)CNCc2cc(ccn2)C(=O)O,
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FP9,,,,,,,
,,,4SV:A:1342,valid,ic50,=,1.585,uM,c1cncc(c1C(=O)O)N,
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,CO:A:360,Part of Protein,,,,,[Co+2],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,5FPA,,,,,,,
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO:A:360,Part of Protein,,,,,[Co+2],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,,N5J:A:1342,valid,,,,,c1cncc2c1C(=O)NC=N2,
,,5FPB,,,,,,,
,,,SO4:A:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO:A:360,Part of Protein,,,,,[Co+2],
,,,HA6:A:1341,valid,,,,,c1cncc2c1C(=O)NC(=N2)Oc3c[nH]nc3,
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,4HON,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,NI:B:402,Part of Protein,,,,,[Ni+2],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:409,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:410,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:411,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:412,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:413,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:414,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:409,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:410,invalid,,,,,[N+](=O)([O-])[O-],
,,,PDO:A:415,invalid,,,,,C(CO)CO,
,,,PDO:A:416,invalid,,,,,C(CO)CO,
,,,PDO:A:417,invalid,,,,,C(CO)CO,
,,,PDO:A:418,invalid,,,,,C(CO)CO,
,,,PDO:B:411,invalid,,,,,C(CO)CO,
,,,SCN:A:404,invalid,,,,,C(#N)[S-],
,,,SCN:A:405,invalid,,,,,C(#N)[S-],
,,,SCN:A:406,invalid,,,,,C(#N)[S-],
,,,SCN:B:404,invalid,,,,,C(#N)[S-],
,,,SCN:B:405,invalid,,,,,C(#N)[S-],
,,,SCN:B:406,invalid,,,,,C(#N)[S-],
,,,THR ALA ARG M3L SER THR GLY GLY LYS ALA:F:6,valid,,,,,O=C(NCC(=O)NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)CCCC[N+](C)(C)C)CO)C(O)C,
,,,THR ALA ARG M3L SER THR GLY GLY LYS ALA:G:7,valid,,,,,O=C(NCC(=O)NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)CCCC[N+](C)(C)C)CO)C(O)C,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6T8M,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,OGA:B:303,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:303,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:503,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,NI:A:504,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:C:305,Part of Protein,,,,,[Ni+2],
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,NI:C:301,Part of Protein,,,,,[Ni+2],
,,,CL:C:304,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6F6D,,,,,,,
,,,TBU:A:1704,invalid,,,,,CC(C)(C)O,
,,,TBU:A:1706,invalid,,,,,CC(C)(C)O,
,,,TBU:A:1705,invalid,,,,,CC(C)(C)O,
,,,AKG:A:1703,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:A:1702,Part of Protein,,,,,[Zn+2],
,,,FE:A:1701,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,5BKE,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:G:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,K:E:403,invalid,,,,,[K+],
,,,K:D:403,invalid,,,,,[K+],
,,,K:B:403,invalid,,,,,[K+],
,,,K:A:403,invalid,,,,,[K+],
,,,K:F:403,invalid,,,,,[K+],
,,,K:G:403,invalid,,,,,[K+],
,,,OGA:G:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:F:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:E:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:D:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,2IUW,,,,,,,
,,,AKG:A:700,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BME:A:800,invalid,,,,,C(CS)O,
,,,BME:A:801,invalid,,,,,C(CS)O,
,,,BME:A:802,invalid,,,,,C(CS)O,
,,,BME:A:901,invalid,,,,,C(CS)O,
,,,FE:A:500,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,5LY1,,,,,,,
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,NI:C:402,Part of Protein,,,,,[Ni+2],
,,,NI:D:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,PPI:D:504,valid,,,,,CCC(=O)O,
,,,PPI:B:505,valid,,,,,CCC(=O)O,
,,,PPI:A:505,valid,,,,,CCC(=O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:D:503,invalid,,,,,[Cl-],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4CCK,,,,,,,
,,,OGA:B:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:D:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:902,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:D:901,Part of Protein,,,,,[Mn+2],
,,,MN:C:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:D:903,invalid,,,,,C(CO)O,
,,,EDO:C:903,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4NPL,,,,,,,
,,,AKG:B:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,4NPM,,,,,,,
,,,SIN:B:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3GL6,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:B:1,valid,Kd,=,0.75,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5D6Y,,,,,,,
,,,GLN LEU ALA THR M3L ALA ALA ARG LYS SER:D:20,valid,Kd,=,2.2,uM,,
,,,GLN LEU ALA THR M3L ALA ALA ARG LYS SER:C:20,valid,Kd,=,2.2,uM,,
,,,GLN LEU ALA THR M3L ALA ALA ARG LYS SER:A:19,valid,Kd,=,2.2,uM,,
,,,GLN LEU ALA THR M3L ALA ALA ARG LYS SER:B:19,valid,Kd,=,2.2,uM,,
,,5VAR,,,,,,,
,,,92Y:A:1101,valid,Kd,=,81.7,uM,CN(C)C[C@H]1[C@H]2CC[C@](C2)([C@H]1O)c3ccccc3,
,,2GFA,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS SER:C:1,valid,Kd,=,10.4,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS SER:D:1,valid,Kd,=,10.4,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,Family. Representative Entry is ,5YBL,,,,,,,
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,6AKW,,,,,,,
,,,8S3:A:602,valid,ic50,=,0.06,uM,Cc1c(c(on1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)O)Cl,
,,,AKG:A:601,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,4IE4,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,8XQ:A:603,valid,ic50,=,3.3,uM,c1cc2c(ccc(c2nc1)O)C(=O)O,
,,4IE6,,,,,,,
,,,UN9:A:602,valid,ic50,=,2.8,uM,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,4ZS2,,,,,,,
,,,AKG:A:601,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,FLU:A:602,valid,ic50,=,3.23,uM,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,4QKN,,,,,,,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,JMS:A:602,valid,,,,,Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl,
,,4IE5,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,MD6:A:602,valid,ic50,=,15,uM,c1cc(c(nc1)C(=O)NCC(=O)O)O,
,,4IDZ,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:601,valid,ic50,=,44,uM,C(C(=O)O)NC(=O)C(=O)O,
,,,NI:A:603,Part of Protein,,,,,[Ni+2],
,,4ZS3,,,,,,,
,,,AKG:A:601,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,A4F:A:602,valid,ic50,=,6.55,uM,c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O,
,,3LFM,,,,,,,
,,,3DT:A:506,valid,,,,,CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,FE2:A:507,Part of Protein,,,,,[Fe+2],
,,,OGA:A:1550,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,4UF0,,,,,,,
,,,ZN:B:2269,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2269,Part of Protein,,,,,[Zn+2],
,,,FE2:A:2267,Part of Protein,,,,,[Fe+2],
,,,FE2:B:2267,Part of Protein,,,,,[Fe+2],
,,,EDO:B:2272,invalid,,,,,C(CO)O,
,,,EDO:B:2276,invalid,,,,,C(CO)O,
,,,EDO:A:2275,invalid,,,,,C(CO)O,
,,,EDO:B:2277,invalid,,,,,C(CO)O,
,,,EDO:B:2278,invalid,,,,,C(CO)O,
,,,EDO:A:2270,invalid,,,,,C(CO)O,
,,,EDO:B:2270,invalid,,,,,C(CO)O,
,,,EDO:B:2273,invalid,,,,,C(CO)O,
,,,EDO:B:2274,invalid,,,,,C(CO)O,
,,,EDO:A:2272,invalid,,,,,C(CO)O,
,,,EDO:A:2276,invalid,,,,,C(CO)O,
,,,EDO:B:2275,invalid,,,,,C(CO)O,
,,,EDO:A:2271,invalid,,,,,C(CO)O,
,,,EDO:A:2273,invalid,,,,,C(CO)O,
,,,EDO:A:2274,invalid,,,,,C(CO)O,
,,,EDO:B:2280,invalid,,,,,C(CO)O,
,,,EDO:A:2277,invalid,,,,,C(CO)O,
,,,EDO:B:2281,invalid,,,,,C(CO)O,
,,,EDO:B:2279,invalid,,,,,C(CO)O,
,,,EDO:B:2271,invalid,,,,,C(CO)O,
,,,MMK:B:2268,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
,,,MMK:A:2268,valid,,,,,CCN(/C=C/N(C)C)C(=O)CNCc1cc(ccn1)C(=O)O,
6.1.1.26,,,,,,,,,
,Family. Representative Entry is ,6AAD,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,9TU:A:505,valid,Kd,=,1.62,mM,c1cc(cc(c1)C2(N=N2)C(F)(F)F)COC(=O)NCCCC[C@@H](C(=O)O)N,
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,6ABL,,,,,,,
,,,9VL:A:505,valid,,,,,c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Br,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6LY6,,,,,,,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ALN:A:504,valid,,,,,c1ccc2c(c1)cccc2C[C@@H](C(=O)O)N,
,,2ZIN,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,LBY:A:601,valid,,,,,CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,6LYB,,,,,,,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EXR:A:504,valid,,,,,c1ccc2c(c1)c(cs2)C[C@H](C(=O)O)N,
,,5K1P,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6LY7,,,,,,,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,TRF:A:504,valid,,,,,c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4CH4,,,,,,,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,YLC:A:500,valid,,,,,C/C=C/C(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,MG:A:1455,Part of Protein,,,,,[Mg+2],
,,4BW9,,,,,,,
,,,ANP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,1PE:A:1455,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,5K1X,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,4CS4,,,,,,,
,,,EDO:A:1468,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1473,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1462,invalid,,,,,C(CO)O,
,,,EDO:A:1463,invalid,,,,,C(CO)O,
,,,EDO:A:1471,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:A:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1467,invalid,,,,,C(CO)O,
,,,EDO:A:1465,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1466,invalid,,,,,C(CO)O,
,,,EDO:A:1461,invalid,,,,,C(CO)O,
,,,EDO:A:1464,invalid,,,,,C(CO)O,
,,,EDO:A:1470,invalid,,,,,C(CO)O,
,,,EDO:A:1469,invalid,,,,,C(CO)O,
,,,EDO:A:1474,invalid,,,,,C(CO)O,
,,,MG:A:1478,Part of Protein,,,,,[Mg+2],
,,,MG:A:1479,invalid,,,,,[Mg+2],
,,,ANP:A:1457,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,AXZ:A:1480,valid,,,,,c1cc(ccc1CCN)S(N[C@@H](CO)C(=O)O)(O)O,
,,,PO4:A:1481,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6AAQ,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,9U9:A:505,valid,Kd,=,3.9,mM,C1C[C@@H]2[C@@H](C2COC(=O)NCCCC[C@@H](C(=O)O)N)CCC#C1,
,,6AAO,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,invalid,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,9U0:A:505,valid,Kd,=,7.8,mM,C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N,
,,6AAP,,,,,,,
,,,9U6:A:505,valid,,,,,c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4BWA,,,,,,,
,,,PEG:A:1457,invalid,,,,,C(COCCO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,N0B:A:1456,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OC(=O)[C@@H](CCCCNC(=O)OC[C@H]4C[C@@H]5C[C@H]4C=C5)N)O)O)N,
,,,MG:A:1455,Part of Protein,,,,,[Mg+2],
,,4TQD,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,33S:A:505,valid,,,,,c1cc(cc(c1)I)C[C@@H](C(=O)O)N,
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4ZIB,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,4OG:A:512,valid,,,,,c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N,
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6AB2,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,9V6:A:506,valid,,,,,c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl,
,,,9V6:A:505,valid,,,,,c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)Cl,
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:507,invalid,,,,,[K+],
,,4CH5,,,,,,,
,,,POP:A:1461,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,YLP:A:500,valid,,,,,CCC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,MG:A:1455,Part of Protein,,,,,[Mg+2],
,,6ABM,,,,,,,
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:506,Part of Protein,,,,,[K+],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,9VR:A:505,valid,,,,,c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)C2(N=N2)C(F)(F)F,
,,3QTC,,,,,,,
,,,0A1:A:811,valid,,,,,COc1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ANP:A:810,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,4CS3,,,,,,,
,,,POP:A:1462,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,AMP LYS FU0:A:1459,valid,,,,,,
,,,MG:A:1464,Part of Protein,,,,,[Mg+2],
,,,MG:A:1463,invalid,,,,,[Mg+2],
,,,EDO:A:1465,invalid,,,,,C(CO)O,
,,2ZIO,,,,,,,
,,,2PN:A:1,valid,,,,,N(P(=O)(O)O)P(=O)(O)O,
,,,AYB:A:601,valid,,,,,CCCOC(=O)NCCCC[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,6AAN,,,,,,,
,,,9TX:A:505,valid,Kd,=,1.76,mM,C#Cc1cccc(c1)COC(=O)NCCCC[C@@H](C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,6LY3,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,4OG:A:504,valid,,,,,c1ccc2c(c1)c(cs2)C[C@@H](C(=O)O)N,
,,2Q7G,,,,,,,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CCL:A:901,valid,,,,,C1CCC(C1)OC(=O)NCCCC[C@H](C(=O)O)N,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,6AB1,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,9V0:A:505,valid,,,,,c1ccc(c(c1)COC(=O)NCCCC[C@@H](C(=O)O)N)N=[N+]=[N-],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:507,invalid,,,,,[K+],
,,2Q7E,,,,,,,
,,,ANP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,6ABK,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,9VF:A:505,valid,Kd,=,11.3,mM,C[Si](C)(C)COC(=O)NCCCC[C@@H](C(=O)O)N,
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6AAC,,,,,,,
,,,PGE:A:508,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,9TR:A:505,valid,,,,,c1cc(cc(c1)N=[N+]=[N-])COC(=O)NCCCC[C@@H](C(=O)O)N,
,,2Q7H,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,POP:A:901,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,YLY:A:900,valid,,,,,C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,6AB0,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,PO4:A:509,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9UF:A:505,valid,,,,,c1cc(ncc1COC(=O)NCCCC[C@@H](C(=O)O)N)N,
,,4Q6G,,,,,,,
,,,ALY:A:508,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)N,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4CH3,,,,,,,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,YLB:A:500,valid,,,,,CCCC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,MG:A:1455,invalid,,,,,[Mg+2],
,,2ZIM,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,POP:A:901,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,YLY:A:1,valid,,,,,C[C@@H]1CCN[C@@H]1C(=O)NCCCC[C@H](C(=O)O[P@](=O)(O)OC[C@H]2[C@@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,4CH6,,,,,,,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1460,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,YLA:A:500,valid,,,,,C#CCOC(=O)NCCCC[C@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,MG:A:1455,Part of Protein,,,,,[Mg+2],
,,2ZCE,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,PYL:A:601,valid,,,,,C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,6AAZ,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:509,invalid,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,9UC:A:505,valid,,,,,c1cc(ccc1COC(=O)NCCCC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,CIT:A:506,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6AB8,,,,,,,
,,,9VC:A:505,valid,,,,,c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N,
,,,9VC:A:506,valid,,,,,c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:508,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,6LYA,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EXL:A:504,valid,,,,,Cn1cc(c2c1cccc2)C[C@@H](C(=O)O)N,
2.7.3.-,,,,,,,,,
,Family. Representative Entry is ,6RH8,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RGY,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:D:206,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RH7,,,,,,,
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RH1,,,,,,,
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RGZ,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:507,invalid,,,,,[Cl-],
,,6RH2,,,,,,,
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1I58,,,,,,,
,,,ACP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACT:A:995,invalid,,,,,CC(=O)[O-],
,,,ACT:B:994,invalid,,,,,CC(=O)[O-],
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:996,Part of Protein,,,,,[Mg+2],
,,1I5A,,,,,,,
,,,ACP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MN:A:996,Part of Protein,,,,,[Mn+2],
,,,MN:B:995,Part of Protein,,,,,[Mn+2],
,,1I59,,,,,,,
,,,ACT:A:995,invalid,,,,,CC(=O)[O-],
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:996,Part of Protein,,,,,[Mg+2],
,,1I5C,,,,,,,
,,,ADP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1I5B,,,,,,,
,,,ACT:A:994,invalid,,,,,CC(=O)[O-],
,,,ANP:A:998,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:996,Part of Protein,,,,,[Mn+2],
,,,MN:B:995,Part of Protein,,,,,[Mn+2],
3.2.1.46,,,,,,,,,
,Family. Representative Entry is ,4UFH,,,,,,,
,,,NI:A:1004,Part of Protein,,,,,[Ni+2],
,,,NI:A:1002,Part of Protein,,,,,[Ni+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GIF:A:1001,valid,Ki,=,380,nM,C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO,
,,,PG4:A:1005,invalid,,,,,C(COCCOCCOCCO)O,
,,3ZR6,,,,,,,
,,,CA:A:709,Part of Protein,,,,,[Ca+2],
,,,GAL:A:708,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:A:704,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4CCE,,,,,,,
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL:A:1001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:4001,Part of Protein,,,,,[Ca+2],
,,4UFK,,,,,,,
,,,NAG:A:1542,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2542,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,LDU:A:1001,valid,Ki,=,130,uM,C1[C@H]([C@H]([C@H](N1)CO)O)O,
,,,CA:A:3669,Part of Protein,,,,,[Ca+2],
,,4CCC,,,,,,,
,,,147:A:1001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,CA:A:1669,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4UFM,,,,,,,
,,,DGJ:A:1001,valid,Ki,=,190,uM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:3669,Part of Protein,,,,,[Ca+2],
,,4UFJ,,,,,,,
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,IF7:A:1001,valid,Ki,=,52,uM,C1[C@@H]([C@@H]([C@@H](C(=O)N1)O)O)CO,
,,,CA:A:3669,Part of Protein,,,,,[Ca+2],
,,4UFI,,,,,,,
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,AGK:A:1001,valid,Ki,=,630,nM,C1[C@H]([C@H]([C@H](NN1)CO)O)O,
,,,CA:A:3669,Part of Protein,,,,,[Ca+2],
,,4UFL,,,,,,,
,,,DZX:A:1001,valid,Ki,=,2.3,mM,C1C[C@H]2[C@H]([C@H]([C@H]([C@@H]1N2)CO)O)O,
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1387,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
3.4.24.65,,,,,,,,,
,Family. Representative Entry is ,4GQL,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,R47:A:306,valid,Ki,=,0.26,nM,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,5I4O,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,V28:C:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V28:D:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V28:B:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V28:A:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,1UTT,,,,,,,
,,,CA:A:1269,Part of Protein,,,,,[Ca+2],
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,CA:A:1271,Part of Protein,,,,,[Ca+2],
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CP8:A:1266,valid,ic50,=,24,uM,C[N@@]1c2ccc(cc2CS1(=O)=O)[C@H]3CN(C(=O)CO3)Cc4ccccc4,
,,,HAE:A:1265,valid,,,,,CC(=O)NO,
,,,ZN:A:1267,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1268,Part of Protein,,,,,[Zn+2],
,,5I0L,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,H27:B:301,valid,ic50,=,18,nM,CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,H27:A:301,valid,ic50,=,18,nM,CC(C)[C@H](C(=O)O)N(/C=C/NC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,DMS:B:309,invalid,,,,,CS(=O)C,
,,,PGO:A:307,invalid,,,,,C[C@@H](CO)O,
,,,PEG:A:309,invalid,,,,,C(COCCO)O,
,,4EFS,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,E37:A:306,valid,Ki,=,2.5,nM,c1ccc(cc1)c2cc(sc2)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:312,invalid,,,,,c1c[nH+]c[nH]1,
,,,PGO:A:310,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:311,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:314,invalid,,,,,C[C@@H](CO)O,
,,,PGR:A:309,invalid,,,,,C[C@H](CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4GR3,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,R45:A:306,valid,Ki,=,15.5,nM,c1ccc(cc1)c2cc(on2)C[C@H](CP(=O)(c3ccc(cc3)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,5CZM,,,,,,,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,R47:A:306,valid,,,,,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CP(=O)(c4ccc(cc4)Br)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,6RLY,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,K8T:A:307,valid,Ki,=,17.5,uM,c1ccc(cc1)c2ccc(cc2)CCNC(=O)CN3C=CC=C(C3=O)O,
,,,HAE:A:306,valid,,,,,CC(=O)NO,
,,1Y93,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HAE:A:301,valid,Kd,=,8,mM,CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,6RD0,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,K0Q:A:306,valid,Ki,=,17.7,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O,
,,,HAE:A:307,valid,,,,,CC(=O)NO,
,,3TSK,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,QEG:A:306,valid,,,,,c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,2W0D,,,,,,,
,,,ACT:A:1270,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1270,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1272,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1271,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1272,invalid,,,,,CC(=O)[O-],
,,,CA:A:1266,Part of Protein,,,,,[Ca+2],
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,CA:A:1268,Part of Protein,,,,,[Ca+2],
,,,CA:B:1266,Part of Protein,,,,,[Ca+2],
,,,CA:B:1267,Part of Protein,,,,,[Ca+2],
,,,CA:B:1268,Part of Protein,,,,,[Ca+2],
,,,CA:C:1266,Part of Protein,,,,,[Ca+2],
,,,CA:C:1267,Part of Protein,,,,,[Ca+2],
,,,CA:C:1268,Part of Protein,,,,,[Ca+2],
,,,CA:D:1266,Part of Protein,,,,,[Ca+2],
,,,CA:D:1267,Part of Protein,,,,,[Ca+2],
,,,CA:D:1268,Part of Protein,,,,,[Ca+2],
,,,CGS:A:1273,valid,ic50,~,2,nM,CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC,
,,,CGS:B:1269,valid,ic50,~,2,nM,CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC,
,,,CGS:C:1273,valid,ic50,~,2,nM,CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC,
,,,CGS:D:1273,valid,ic50,~,2,nM,CC(C)[C@H](C(=O)NO)[N@@](Cc1cccnc1)S(=O)(=O)c2ccc(cc2)OC,
,,,CL:C:1271,invalid,,,,,[Cl-],
,,,CL:D:1269,invalid,,,,,[Cl-],
,,,NA:D:1270,Part of Protein,,,,,[Na+],
,,,ZN:A:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1265,Part of Protein,,,,,[Zn+2],
,,3F16,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS3:A:0,valid,Kd,=,5.91,nM,COc1ccc(cc1)S(=O)(=O)N[C@H](CO)C(=O)N=O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5D3C,,,,,,,
,,,56O:A:306,valid,,,,,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3NX7,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,NHK:A:0,valid,Kd,=,7.88,nM,COc1ccc(cc1)S(=O)(=O)N(CCO)CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3N2U,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,D3X:A:0,valid,,,,,COc1ccc(cc1)S(=O)(=O)N(CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,2OXW,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,ILE ALA GLY:X:207,valid,,,,,O=C(NC(C(=O)NCC=O)C)C([NH3+])C(CC)C,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3EHY,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,TBL:A:1,valid,Ki,=,1.4,uM,C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)OC,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,1UTZ,,,,,,,
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,CA:A:1271,Part of Protein,,,,,[Ca+2],
,,,CA:B:1269,Part of Protein,,,,,[Ca+2],
,,,CA:B:1270,Part of Protein,,,,,[Ca+2],
,,,HAE:A:1267,valid,,,,,CC(=O)NO,
,,,HAE:B:1266,valid,,,,,CC(=O)NO,
,,,PF3:A:1265,valid,ic50,=,0.014,uM,c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4,
,,,PF3:A:1266,valid,ic50,=,0.014,uM,c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4,
,,,PF3:B:1265,valid,ic50,=,0.014,uM,c1ccc(cc1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(cc3)c4ccncc4,
,,,ZN:A:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1267,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1268,Part of Protein,,,,,[Zn+2],
,,3LKA,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HAE:A:269,valid,,,,,CC(=O)NO,
,,,M4S:A:1,valid,Kd,=,1.5,mM,COc1ccc(cc1)S(=O)(=O)N,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3F19,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS6:A:0,valid,Kd,=,65.1,nM,c1cc(ccc1F)S(=O)(=O)NCC(=O)N=O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5L7F,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,BR:A:306,invalid,,,,,[Br-],
,,,DMS:B:310,invalid,,,,,CS(=O)C,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,R47 6PJ:A:309,valid,Ki,=,0.9,nM,Brc1ccc(P(=O)([O-])CC(C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[N+]2=C(CC=CC=CC3=[N+](CC)c4c(C3(C)C)c3c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3)cc4)C(C)(C)c3c4c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4)ccc23)CCC(=O)[O-])CCC(=O)[O-])Cc2onc(-c3ccc(-c4cc(Cl)ccc4)cc3)c2)cc1,
,,,6PJ R47:B:301,valid,Ki,=,0.9,nM,,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,6ENM,,,,,,,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,LPW:A:301,valid,,,,,COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO,
,,,LPW:B:301,valid,,,,,COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)NO,
,,3EHX,,,,,,,
,,,BDL:A:0,valid,Ki,=,25,nM,CC(C)C[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,6EOX,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,BKW:A:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3CC(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,2HU6,,,,,,,
,,,37A:A:400,valid,Kd,=,154,uM,c1ccc(cc1)c2ccc(cc2)CNC(=O)[C@H]3[C@@H]4CN(C[C@@H](O4)O3)C(=O)NO,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HAE:A:269,valid,,,,,CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3N2V,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,JT5:A:0,valid,,,,,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N(CCO)CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3F18,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS5:A:0,valid,Kd,=,39.5,nM,c1cc(ccc1F)S(=O)(=O)N(CCO)CC(=O)N=O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,4GR8,,,,,,,
,,,IMD:A:307,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,R4C:A:306,valid,Ki,=,14.7,nM,C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccccc2)CP(=O)(c3ccc(cc3)Br)O,
,,3F15,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS1:A:0,valid,Kd,=,7.88,nM,COc1ccc(cc1)S(=O)(=O)[N@@](C[C@@H](CO)O)CC(=O)N=O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,6ELA,,,,,,,
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,B9Z:A:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,,B9Z:C:307,valid,,,,,COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,,B9Z:D:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,,B9Z:B:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)Sc3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,DIO:B:307,invalid,,,,,C1COCCO1,
,,,DIO:D:307,invalid,,,,,C1COCCO1,
,,,DIO:C:308,invalid,,,,,C1COCCO1,
,,,DIO:D:308,invalid,,,,,C1COCCO1,
,,,DIO:A:307,invalid,,,,,C1COCCO1,
,,5N5J,,,,,,,
,,,8NT:A:307,valid,,,,,C1CSS[C@H]1CCCCC(=O)NCCCS(=O)(=O)O,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,HAE:A:306,valid,,,,,CC(=O)NO,
,,2OXZ,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,ILE ALA GLY:X:207,valid,,,,,O=C(NC(C(=O)NCC=O)C)C([NH3+])C(CC)C,
,,,PRO GLN GLY:Y:205,valid,,,,,O=C(NCC(=O)[O-])C(N)CCC(=O)N,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3LIK,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,EEG:A:301,valid,Ki,=,1.92,nM,c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,HAE:A:302,invalid,,,,,CC(=O)NO,
,,,P6G:A:303,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:304,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:305,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5I43,,,,,,,
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:D:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:D:312,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,PGO:C:310,invalid,,,,,C[C@@H](CO)O,
,,,PGO:C:313,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:313,invalid,,,,,C[C@@H](CO)O,
,,,PGO:C:312,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:313,invalid,,,,,C[C@@H](CO)O,
,,,PGO:C:311,invalid,,,,,C[C@@H](CO)O,
,,,67M:D:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,67M:A:306,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,67M:C:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,67M:B:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,DMS:C:309,invalid,,,,,CS(=O)C,
,,,DMS:B:312,invalid,,,,,CS(=O)C,
,,3F17,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS4:A:0,valid,Kd,=,2.36,nM,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NCC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,6EKN,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,B9N:A:306,valid,,,,,COc1ccc(cc1)c2ccc(cc2)S(=O)(=O)c3ccccc3[C@H](CCC(=O)O)C(=O)O,
,,5D2B,,,,,,,
,,,56O:A:306,valid,,,,,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)NO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2WO8,,,,,,,
,,,023:B:1268,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,023:D:1266,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,077:A:1271,valid,ic50,=,0.52,uM,c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O,
,,,077:C:1271,valid,ic50,=,0.52,uM,c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O,
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,CA:B:1271,Part of Protein,,,,,[Ca+2],
,,,CA:B:1272,Part of Protein,,,,,[Ca+2],
,,,CA:C:1270,Part of Protein,,,,,[Ca+2],
,,,CA:D:1269,Part of Protein,,,,,[Ca+2],
,,,CA:D:1270,Part of Protein,,,,,[Ca+2],
,,,GOL:D:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1272,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1267,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1268,Part of Protein,,,,,[Zn+2],
,,1OS2,,,,,,,
,,,ACT:B:374,invalid,,,,,CC(=O)[O-],
,,,ACT:E:674,invalid,,,,,CC(=O)[O-],
,,,AZI:C:474,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:F:774,invalid,,,,,[N-]=[N+]=[N-],
,,,CA:A:871,Part of Protein,,,,,[Ca+2],
,,,CA:A:872,Part of Protein,,,,,[Ca+2],
,,,CA:A:873,Part of Protein,,,,,[Ca+2],
,,,CA:B:371,Part of Protein,,,,,[Ca+2],
,,,CA:B:372,Part of Protein,,,,,[Ca+2],
,,,CA:B:373,Part of Protein,,,,,[Ca+2],
,,,CA:C:471,Part of Protein,,,,,[Ca+2],
,,,CA:C:472,Part of Protein,,,,,[Ca+2],
,,,CA:C:473,Part of Protein,,,,,[Ca+2],
,,,CA:D:571,Part of Protein,,,,,[Ca+2],
,,,CA:D:572,Part of Protein,,,,,[Ca+2],
,,,CA:D:573,Part of Protein,,,,,[Ca+2],
,,,CA:E:671,Part of Protein,,,,,[Ca+2],
,,,CA:E:672,Part of Protein,,,,,[Ca+2],
,,,CA:E:673,Part of Protein,,,,,[Ca+2],
,,,CA:F:771,Part of Protein,,,,,[Ca+2],
,,,CA:F:772,Part of Protein,,,,,[Ca+2],
,,,CA:F:773,Part of Protein,,,,,[Ca+2],
,,,HAE:A:874,valid,,,,,CC(=O)NO,
,,,HAE:D:574,valid,,,,,CC(=O)NO,
,,,ZN:A:869,Part of Protein,,,,,[Zn+2],
,,,ZN:A:870,Part of Protein,,,,,[Zn+2],
,,,ZN:B:369,Part of Protein,,,,,[Zn+2],
,,,ZN:B:370,Part of Protein,,,,,[Zn+2],
,,,ZN:C:469,Part of Protein,,,,,[Zn+2],
,,,ZN:C:470,Part of Protein,,,,,[Zn+2],
,,,ZN:D:569,Part of Protein,,,,,[Zn+2],
,,,ZN:D:570,Part of Protein,,,,,[Zn+2],
,,,ZN:E:669,Part of Protein,,,,,[Zn+2],
,,,ZN:E:670,Part of Protein,,,,,[Zn+2],
,,,ZN:F:769,Part of Protein,,,,,[Zn+2],
,,,ZN:F:770,Part of Protein,,,,,[Zn+2],
,,4GR0,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,R4B:A:306,valid,Ki,=,0.28,nM,C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cc(no1)c2ccc(cc2)c3cccc(c3)Cl)CP(=O)(c4ccc(cc4)Br)O,
,,2WOA,,,,,,,
,,,023:B:1269,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,023:D:1266,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,576:A:1273,valid,ic50,=,1.15,uM,c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O,
,,,576:C:1273,valid,ic50,=,1.15,uM,c1ccc-2c(c1)Cc3c2ccc(c3)CC[C@@H](CC(=O)O)O,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:B:1272,Part of Protein,,,,,[Ca+2],
,,,CA:B:1273,Part of Protein,,,,,[Ca+2],
,,,CA:B:1274,Part of Protein,,,,,[Ca+2],
,,,CA:C:1270,Part of Protein,,,,,[Ca+2],
,,,CA:C:1271,Part of Protein,,,,,[Ca+2],
,,,CA:C:1272,Part of Protein,,,,,[Ca+2],
,,,CA:D:1269,Part of Protein,,,,,[Ca+2],
,,,CA:D:1270,Part of Protein,,,,,[Ca+2],
,,,GOL:D:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1272,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1271,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1271,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1267,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1268,Part of Protein,,,,,[Zn+2],
,,3LK8,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,Z79:A:0,valid,Kd,=,19.7,nM,COc1ccc(cc1)S(=O)(=O)NCC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5L79,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,R47 6PJ:A:306,valid,Ki,=,0.9,nM,Brc1ccc(P(=O)([O-])CC(C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[N+]2=C(CC=CC=CC3=[N+](CC)c4c(C3(C)C)c3c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c3)cc4)C(C)(C)c3c4c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4)ccc23)CCC(=O)[O-])CCC(=O)[O-])Cc2onc(-c3ccc(-c4cc(Cl)ccc4)cc3)c2)cc1,
,,3F1A,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,HS7:A:0,valid,Kd,=,61.1,nM,c1ccc(cc1)S(=O)(=O)NCC(=O)N=O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5N5K,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,HAE:A:306,valid,,,,,CC(=O)NO,
,,,8NW:A:307,valid,,,,,C1CSS[C@H]1CCCCC(=O)NCCCO,
,,2WO9,,,,,,,
,,,023:B:1267,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,023:D:1266,valid,,,,,C[C@@H]([C@@H](CCCc1ccccc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)N(C=O)O,
,,,068:A:1271,valid,ic50,=,0.062,uM,CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O,
,,,068:C:1272,valid,ic50,=,0.062,uM,CC(=O)c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O,
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,CA:B:1270,Part of Protein,,,,,[Ca+2],
,,,CA:B:1271,Part of Protein,,,,,[Ca+2],
,,,CA:B:1272,Part of Protein,,,,,[Ca+2],
,,,CA:C:1271,Part of Protein,,,,,[Ca+2],
,,,CA:D:1269,Part of Protein,,,,,[Ca+2],
,,,CA:D:1270,Part of Protein,,,,,[Ca+2],
,,,GOL:C:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1272,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1268,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1269,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1267,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1268,Part of Protein,,,,,[Zn+2],
,,3LJG,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,EEF:A:302,valid,Ki,=,18.6,nM,c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,HAE:A:301,invalid,,,,,CC(=O)NO,
,,,P6G:A:304,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:305,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,5I3M,,,,,,,
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,DIO:B:308,invalid,,,,,C1COCCO1,
,,,DIO:B:309,invalid,,,,,C1COCCO1,
,,,DIO:C:308,invalid,,,,,C1COCCO1,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:D:307,invalid,,,,,CS(=O)C,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,67F:B:301,valid,,,,,CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,67F:D:301,valid,,,,,CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,67F:C:301,valid,,,,,CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,67F:A:301,valid,,,,,CC(C)[C@@H](C(=O)O)N(CCNC(=S)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)S(=O)(=O)c2ccc(cc2)c3ccccc3,
,,,PGO:B:307,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:308,invalid,,,,,C[C@@H](CO)O,
,,1RMZ,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,NGH:A:269,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3LIL,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,EEA:A:301,valid,Ki,=,8.3,nM,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,HAE:A:302,invalid,,,,,CC(=O)NO,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,4I03,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:312,invalid,,,,,CS(=O)C,
,,,DMS:A:313,invalid,,,,,CS(=O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,PGO:A:311,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:310,invalid,,,,,C[C@@H](CO)O,
,,,PEG:A:318,invalid,,,,,C(COCCO)O,
,,,L88:A:306,valid,,,,,c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@@H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6,
,,1ROS,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,DEO:A:1,valid,ic50,=,0.0017,uM,CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O,
,,,DEO:B:1,valid,ic50,=,0.0017,uM,CCOc1ccc(cc1)c2ccc(cc2)C(=O)C[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,5CXA,,,,,,,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,55L:A:306,valid,,,,,c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)C[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5I2Z,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,V24:B:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V24:A:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V24:C:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,V24:D:301,valid,,,,,CC(C)[C@H](C(=O)O)N(Cc1cn(nn1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)S(=O)(=O)c3ccc(cc3)c4ccccc4,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,PGO:A:307,invalid,,,,,C[C@@H](CO)O,
,,,PGO:D:308,invalid,,,,,C[C@@H](CO)O,
,,,DMS:D:307,invalid,,,,,CS(=O)C,
,,1JK3,,,,,,,
,,,BAT:A:900,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3LIR,,,,,,,
,,,CA:A:266,Part of Protein,,,,,[Ca+2],
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,EEC:A:1,valid,Ki,=,119,nM,c1ccc(cc1)c2cc(on2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,ZN:A:264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,3TS4,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,EEG:A:306,valid,Ki,=,1.9,nM,c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:307,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
3.6.1.68,,,,,,,,,
,Family. Representative Entry is ,6YPF,,,,,,,
,,,GPP:A:201,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
2.7.1.3,,,,,,,,,
,Family. Representative Entry is ,6W0Z,,,,,,,
,,,S6D:A:301,valid,ic50,=,0.01,uM,C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F,
,,,S6D:B:301,valid,ic50,=,0.01,uM,C[C@H]1CCN1c2nc(cc(n2)N3C[C@@H]4[C@H](C3)C4CC(=O)O)C(F)(F)F,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NBW,,,,,,,
,,,GOL:A:299,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TR4:A:301,valid,,,,,CSc1c(c(n(n1)c2ccccc2)N)C#N,
,,,TR4:B:301,valid,,,,,CSc1c(c(n(n1)c2ccccc2)N)C#N,
,,5WBM,,,,,,,
,,,A4G:A:301,valid,Kd,=,20,uM,Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO,
,,,A4G:B:302,valid,Kd,=,20,uM,Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO,
,,,A4G:B:301,invalid,Kd,=,20,uM,Cc1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)CO,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WBO,,,,,,,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:304,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,A1Y:B:301,valid,Kd,=,62,uM,Cc1cc(nc(c1C#N)N2CCOCC2)C,
,,,A1Y:A:301,valid,Kd,=,62,uM,Cc1cc(nc(c1C#N)N2CCOCC2)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,6W0X,,,,,,,
,,,S6J:A:301,valid,ic50,=,0.14,uM,C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O,
,,,S6J:B:301,valid,ic50,=,0.14,uM,C[C@H]1[C@@H](CN1c2c(c(cc(n2)N3C[C@@H]4[C@H](C3)C4CO)C(F)(F)F)C#N)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WBQ,,,,,,,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,A3J:B:301,valid,ic50,=,1.48,uM,CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O,
,,,A3J:A:301,valid,ic50,=,1.48,uM,CCc1cc2c([nH]1)c(c(c(n2)C(F)(F)F)C#N)N3CC[C@](C3)(C)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6W0N,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIT:B:304,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,RYS:B:301,valid,ic50,=,0.41,uM,C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O,
,,,RYS:A:301,valid,ic50,=,0.41,uM,C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O,
,,3NBV,,,,,,,
,,,ANP:A:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FRU:A:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SO4:B:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WBZ,,,,,,,
,,,CIT:B:304,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,A4J:B:301,valid,ic50,=,0.39,uM,C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O,
,,,A4J:A:301,valid,ic50,=,0.39,uM,C[C@@]1(CCN(C1)c2c(c(cc(n2)N3C[C@@H]([C@H](C3)O)O)C(F)(F)F)C#N)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NC2,,,,,,,
,,,QUZ:A:299,valid,,,,,c1ccc2c(c1)cncn2,
,,,QUZ:B:299,valid,,,,,c1ccc2c(c1)cncn2,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NC9,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TR3:B:299,valid,ic50,=,330,nM,CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4,
,,,TR3:B:300,valid,ic50,=,330,nM,CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4,
,Family. Representative Entry is ,2HW1,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FRU:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.129,,,,,,,,,
,Family. Representative Entry is ,3GVL,,,,,,,
,,,SLB:A:911,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB SIA:B:1,valid,,,,,,
,,3JU4,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:A:6,invalid,,,,,[Cl-],
,,,NA:A:7,Part of Protein,,,,,[Na+],
,,,SLB:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,3GVJ,,,,,,,
,,,SLB SIA SIA SIA SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(OC(C(O)C3C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O3)CO)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(OC(C(O)C3C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O3)CO)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,3GVK,,,,,,,
,,,NA:A:916,Part of Protein,,,,,[Na+],
,,,NA:B:916,Part of Protein,,,,,[Na+],
,,,NA:C:916,Part of Protein,,,,,[Na+],
,,,SLB SIA:F:1,valid,,,,,,
,,,SLB SIA:L:1,valid,,,,,,
,,,SLB SIA:I:1,valid,,,,,,
,,,SLB SIA SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA:J:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SLB SIA SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
2.3.1.222,,,,,,,,,
,Family. Representative Entry is ,5CUO,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
3.5.4.-,,,,,,,,,
,Family. Representative Entry is ,5CQH,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,DC:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
3.2.1.111,,,,,,,,,
,Family. Representative Entry is ,3UES,,,,,,,
,,,DFU:A:501,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,DFU:B:501,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,3UET,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,4OUE,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,IPT:A:502,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:501,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
2.1.1.115,,,,,,,,,
,Family. Representative Entry is ,6GKV,,,,,,,
,,,F2W:A:502,valid,,,,,C[NH+]1CCc2cc(c(cc2C1)OC)OC,
,,,F2W:B:401,valid,,,,,C[NH+]1CCc2cc(c(cc2C1)OC)OC,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6GKZ,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.13.12.9,,,,,,,,,
,Family. Representative Entry is ,3AYI,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,HCI:A:907,valid,Ki,=,13.9,uM,c1ccc(cc1)CCC(=O)O,
,,,HCI:B:1907,valid,Ki,=,13.9,uM,c1ccc(cc1)CCC(=O)O,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3AYJ,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,PHE:A:904,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:1904,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YR6,,,,,,,
,,,BE2:A:906,valid,Ki,=,0.87,mM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:1906,valid,Ki,=,0.87,mM,c1ccc(c(c1)C(=O)O)N,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3AYL,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,MET:A:905,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:1905,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YR5,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YR4,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.2.2,,,,,,,,,
,Family. Representative Entry is ,6KLK,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,URF:A:501,valid,Kd,=,133.2,uM,C1=C(C(=O)NC(=O)N1)F,
,Family. Representative Entry is ,2FVK,,,,,,,
,,,DUC:A:604,valid,,,,,C1CNC(=O)NC1=O,
,,,DUC:B:604,valid,,,,,C1CNC(=O)NC1=O,
,,,DUC:C:604,valid,,,,,C1CNC(=O)NC1=O,
,,,DUC:D:604,valid,,,,,C1CNC(=O)NC1=O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:602,Part of Protein,,,,,[Zn+2],
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,,ZN:D:602,Part of Protein,,,,,[Zn+2],
,,2FVM,,,,,,,
,,,URP:A:604,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,URP:B:604,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:602,Part of Protein,,,,,[Zn+2],
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,,ZN:D:602,Part of Protein,,,,,[Zn+2],
4.1.1.5,,,,,,,,,
,Family. Representative Entry is ,4BT5,,,,,,,
,,,23B:A:302,valid,Ki,=,1.72,mM,C[C@H]([C@@](C)(C(=O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4BT3,,,,,,,
,,,WTZ:A:302,valid,Ki,=,0.76,mM,C[C@H]([C@](C)(C(=O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4BT4,,,,,,,
,,,QFH:A:302,valid,Ki,=,0.46,mM,C[C@@H]([C@@](C)(C(=O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
3.1.26.4,,,,,,,,,
,Family. Representative Entry is ,4QAG,,,,,,,
,,,F95:B:603,valid,ic50,=,4.8,uM,c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O,
,,,F95:A:603,valid,ic50,=,4.8,uM,c1cc(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,3K2P,,,,,,,
,,,JTH:A:1001,valid,Kd,=,6,uM,CC(C)C1=CC=C(C(=O)C(=C1)O)O,
,,,JTH:B:1001,valid,Kd,=,6,uM,CC(C)C1=CC=C(C(=O)C(=C1)O)O,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:902,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4Z0U,,,,,,,
,,,TRP MET ASP PHE ASP ASP ASP ILE PRO PHE:E:174,valid,Kd,=,2,uM,,
,,,TRP MET ASP PHE ASP ASP ASP ILE PRO PHE:D:174,valid,Kd,=,2,uM,,
2.1.1.56,,,,,,,,,
,Family. Representative Entry is ,3EVF,,,,,,,
,,,GTA:A:902,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,GTA:A:903,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3EVA,,,,,,,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3EVC,,,,,,,
,,,GTP:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3EVB,,,,,,,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3EVD,,,,,,,
,,,GTP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SAH:A:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3EVE,,,,,,,
,,,G3A:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6LD3,,,,,,,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,G8O FB2:A:903,valid,ic50,=,43.2,uM,S(=O)(=O)(NC(=O)c1c(OC)cc(OC)c(-c2sccc2)c1)c1ccccc1,
,,6LD5,,,,,,,
,,,G8L:A:904,valid,ic50,=,106.6,uM,c1cc2cccnc2c(c1)S(=O)(=O)N,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,G8O:A:903,valid,,,,,COc1cc(c(cc1c2cccs2)C(=O)O)OC,
,,6LD4,,,,,,,
,,,G8F:A:904,valid,ic50,=,80.6,uM,COc1cccc(c1)S(=O)(=O)N,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,G8O:A:903,valid,,,,,COc1cc(c(cc1c2cccs2)C(=O)O)OC,
,,6LD2,,,,,,,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,KY3:A:903,valid,ic50,=,246.6,uM,CO[C@H]1C[C@@H]([C@H](C[C@H]1c2cccs2)C(=O)O)OC,
,Family. Representative Entry is ,5E8J,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3EVG,,,,,,,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Z3C,,,,,,,
,,,SA8:A:299,valid,ic50,=,100,uM,C[N@@](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1RI3,,,,,,,
,,,SAH:A:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1RI4,,,,,,,
,,,SAM:A:299,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1RI1,,,,,,,
,,,GTG:A:300,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,SAH:A:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5E9W,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.5.3.1,,,,,,,,,
,Family. Representative Entry is ,4Q3S,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,X7A:C:403,valid,Kd,=,0.26,uM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:B:403,valid,Kd,=,0.26,uM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:A:403,valid,Kd,=,0.26,uM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:D:403,valid,Kd,=,0.26,uM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,4Q42,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ORN:C:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4Q40,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,IMD:C:407,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:408,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:407,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:408,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:407,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:406,invalid,,,,,c1c[nH+]c[nH]1,
,,,VAL:A:403,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:D:403,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:B:403,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:C:404,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,4Q3U,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,NNH:C:405,valid,Kd,=,0.36,uM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,,NNH:B:405,valid,Kd,=,0.36,uM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,,NNH:D:403,valid,Kd,=,0.36,uM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,,NNH:A:405,valid,Kd,=,0.36,uM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,4Q41,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,LYS:B:403,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:403,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4Q3Q,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,ABH:A:405,valid,Kd,=,1.3,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:D:403,valid,Kd,=,1.3,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:405,valid,Kd,=,1.3,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:C:405,valid,Kd,=,1.3,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,4Q3T,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,HAR:D:401,valid,Kd,=,0.33,uM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:C:405,valid,Kd,=,0.33,uM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:405,valid,Kd,=,0.33,uM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:A:405,valid,Kd,=,0.33,uM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,MN:D:403,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6V7E,,,,,,,
,,,MN:D:1002,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:C:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1001,Part of Protein,,,,,[Mn+2],
,,,MN:D:1001,Part of Protein,,,,,[Mn+2],
,,,MN:C:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:E:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:E:1002,Part of Protein,,,,,[Mn+2],
,,,QRA:B:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,,QRA:C:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,,QRA:F:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,,QRA:E:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,,QRA:D:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,,QRA:A:1003,valid,ic50,=,2,nM,[B-](CCC[C@H]1C[C@@]2(CCCN2)C[C@]1(C(=O)O)N)(O)(O)O,
,,3SKK,,,,,,,
,,,4U7:A:551,valid,,,,,[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O,
,,,4U7:B:552,valid,,,,,[B-](CCCC[C@@](C(F)F)(C(=O)O)N)(O)(O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,3GN0,,,,,,,
,,,DMO:A:551,valid,Ki,=,3.9,mM,C(CC(C(F)F)(C(=O)O)N)CN,
,,,DMO:B:552,valid,Ki,=,3.9,mM,C(CC(C(F)F)(C(=O)O)N)CN,
,,,MN:A:536,Part of Protein,,,,,[Mn+2],
,,,MN:A:537,Part of Protein,,,,,[Mn+2],
,,,MN:B:536,Part of Protein,,,,,[Mn+2],
,,,MN:B:537,Part of Protein,,,,,[Mn+2],
,,1WVA,,,,,,,
,,,MN:A:2314,Part of Protein,,,,,[Mn+2],
,,,MN:A:2315,Part of Protein,,,,,[Mn+2],
,,,MN:B:1314,Part of Protein,,,,,[Mn+2],
,,,MN:B:1315,Part of Protein,,,,,[Mn+2],
,,,S2C:A:1317,valid,Kd,=,270,nM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:B:1316,valid,Kd,=,270,nM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,3KV2,,,,,,,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,,NNH:A:901,valid,Kd,=,47.51,nM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,,NNH:B:902,valid,Kd,=,47.51,nM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,2PHO,,,,,,,
,,,MN:A:614,Part of Protein,,,,,[Mn+2],
,,,MN:A:615,Part of Protein,,,,,[Mn+2],
,,,MN:B:714,Part of Protein,,,,,[Mn+2],
,,,MN:B:715,Part of Protein,,,,,[Mn+2],
,,,TSZ:A:501,valid,Kd,>,0.1,mM,C(=S)(N)NN,
,,6V7D,,,,,,,
,,,QR4:B:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,QR4:A:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,QR4:E:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,QR4:F:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,QR4:C:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,QR4:D:1003,valid,ic50,=,22,nM,[B-](CCC[C@H]1C[C@@H]2[C@H]([C@]1(C(=O)O)[NH3+])CC[NH2+]2)(O)(O)O,
,,,MN:D:1002,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:C:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1001,Part of Protein,,,,,[Mn+2],
,,,MN:D:1001,Part of Protein,,,,,[Mn+2],
,,,MN:C:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:E:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:E:1002,Part of Protein,,,,,[Mn+2],
,,4IE1,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,1EC:A:401,valid,,,,,[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O,
,,,1EC:B:501,valid,,,,,[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O,
,,3MFW,,,,,,,
,,,B3U:A:600,valid,Ki,=,300,uM,c1c([nH]c(n1)N)C[C@@H](C(=O)O)N,
,,,B3U:B:601,valid,Ki,=,300,uM,c1c([nH]c(n1)N)C[C@@H](C(=O)O)N,
,,,MN:A:5362,Part of Protein,,,,,[Mn+2],
,,,MN:A:5363,Part of Protein,,,,,[Mn+2],
,,,MN:B:6362,Part of Protein,,,,,[Mn+2],
,,,MN:B:6363,Part of Protein,,,,,[Mn+2],
,,,SO4:A:551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LP4,,,,,,,
,,,LYS:A:401,valid,Kd,=,13100,nM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:402,valid,Kd,=,13100,nM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,3GMZ,,,,,,,
,,,MN:A:536,Part of Protein,,,,,[Mn+2],
,,,MN:A:537,Part of Protein,,,,,[Mn+2],
,,,MN:B:536,Part of Protein,,,,,[Mn+2],
,,,MN:B:537,Part of Protein,,,,,[Mn+2],
,,,ORN:A:551,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:552,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,4GSZ,,,,,,,
,,,ABH:A:405,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:403,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,3SJT,,,,,,,
,,,5AB:A:551,valid,,,,,[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O,
,,,5AB:B:552,valid,,,,,[B-](CCCC[C@@](C)(C(=O)O)N)(O)(O)O,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,2PLL,,,,,,,
,,,ABH:A:555,valid,Kd,=,5,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:556,valid,Kd,=,5,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:463,Part of Protein,,,,,[Mn+2],
,,,MN:A:464,Part of Protein,,,,,[Mn+2],
,,,MN:B:461,Part of Protein,,,,,[Mn+2],
,,,MN:B:462,Part of Protein,,,,,[Mn+2],
,,3MFV,,,,,,,
,,,MN:A:614,Part of Protein,,,,,[Mn+2],
,,,MN:A:615,Part of Protein,,,,,[Mn+2],
,,,MN:B:614,Part of Protein,,,,,[Mn+2],
,,,MN:B:615,Part of Protein,,,,,[Mn+2],
,,,Z70:A:0,valid,Ki,=,3000,uM,c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N,
,,,Z70:B:323,valid,Ki,=,3000,uM,c1c([nH]c(n1)N)CC[C@@H](C(=O)O)N,
,,4GSV,,,,,,,
,,,ABH:A:403,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:403,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:B:402,Part of Protein,,,,,[Ni+2],
,,3DJ8,,,,,,,
,,,EXY:A:650,valid,,,,,C1[C@H](O1)CCCC[C@@H](C(=O)O)N,
,,,EXY:B:751,valid,,,,,C1[C@H](O1)CCCC[C@@H](C(=O)O)N,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,1WVB,,,,,,,
,,,MN:A:1314,Part of Protein,,,,,[Mn+2],
,,,MN:A:1315,Part of Protein,,,,,[Mn+2],
,,,MN:B:2314,Part of Protein,,,,,[Mn+2],
,,,MN:B:2315,Part of Protein,,,,,[Mn+2],
,,,S2C:A:1316,valid,,,,,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:B:1317,valid,,,,,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,4HWW,,,,,,,
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:A:903,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,X7A:A:901,valid,ic50,=,223,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:B:401,valid,ic50,=,223,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,3E6V,,,,,,,
,,,ABH:A:552,valid,Kd,=,147,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:555,valid,Kd,=,147,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,3THH,,,,,,,
,,,ABH:A:700,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:700,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:B:400,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,3LP7,,,,,,,
,,,HAR:A:906,valid,Kd,=,3600,nM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:908,valid,Kd,=,3600,nM,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,2AEB,,,,,,,
,,,ABH:A:551,valid,Kd,=,5,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:552,valid,Kd,=,5,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:2362,Part of Protein,,,,,[Mn+2],
,,,MN:A:2363,Part of Protein,,,,,[Mn+2],
,,,MN:B:1362,Part of Protein,,,,,[Mn+2],
,,,MN:B:1363,Part of Protein,,,,,[Mn+2],
,,3THJ,,,,,,,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:B:400,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,,ORN:A:500,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:600,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:500,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,6V7F,,,,,,,
,,,MN:D:1002,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:C:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1002,Part of Protein,,,,,[Mn+2],
,,,MN:F:1001,Part of Protein,,,,,[Mn+2],
,,,MN:D:1001,Part of Protein,,,,,[Mn+2],
,,,MN:C:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:E:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:E:1002,Part of Protein,,,,,[Mn+2],
,,,QRJ:E:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QRJ:D:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QRJ:F:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QRJ:C:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QRJ:A:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QRJ:B:1003,valid,ic50,=,14,nM,[B-](CCC[C@H]1C[C@@]2(CC[NH2+]C2)C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,3F80,,,,,,,
,,,6HN:A:551,valid,Kd,=,60,uM,C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N,
,,,6HN:A:552,valid,Kd,=,60,uM,C(CC[N+](=O)[O-])C[C@@H](C(=O)O)N,
,,,MN:A:514,Part of Protein,,,,,[Mn+2],
,,,MN:A:515,Part of Protein,,,,,[Mn+2],
,,,MN:B:514,Part of Protein,,,,,[Mn+2],
,,,MN:B:515,Part of Protein,,,,,[Mn+2],
,,3E6K,,,,,,,
,,,ABH:A:552,valid,Kd,=,7000,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:555,valid,Kd,=,7000,nM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:323,Part of Protein,,,,,[Mn+2],
,,,MN:A:324,Part of Protein,,,,,[Mn+2],
,,,MN:B:323,Part of Protein,,,,,[Mn+2],
,,,MN:B:324,Part of Protein,,,,,[Mn+2],
,,4HXQ,,,,,,,
,,,X8A:B:401,valid,ic50,=,60,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O,
,,,X8A:A:901,valid,ic50,=,60,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O,
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:A:903,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,4GWD,,,,,,,
,,,ABH:A:404,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:404,valid,,,,,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,6V7C,,,,,,,
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,QR1:A:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QR1:F:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QR1:C:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QR1:E:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QR1:D:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,,,QR1:B:403,valid,ic50,=,29,nM,[B-](CCC[C@H]1[C@@H]2C[NH2+]C[C@@H]2C[C@]1(C(=O)O)[NH3+])(O)(O)O,
,Family. Representative Entry is ,3MMR,,,,,,,
,,,ABH:A:551,valid,Kd,=,11,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,BME:A:414,invalid,,,,,C(CS)O,
,,,MN:A:412,Part of Protein,,,,,[Mn+2],
,,,MN:A:413,Part of Protein,,,,,[Mn+2],
,,3SL1,,,,,,,
,,,FB6:A:414,valid,,,,,B(CCCCC(C)(C(=O)O)N)(O)O,
,,,MN:A:412,Part of Protein,,,,,[Mn+2],
,,,MN:A:413,Part of Protein,,,,,[Mn+2],
,,3SL0,,,,,,,
,,,FB5:A:414,valid,,,,,B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O,
,,,MN:A:412,Part of Protein,,,,,[Mn+2],
,,,MN:A:413,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6Q39,,,,,,,
,,,HDQ:B:405,valid,ic50,=,16,nM,[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O,
,,,HDQ:C:405,valid,ic50,=,16,nM,[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O,
,,,HDQ:A:405,valid,ic50,=,16,nM,[B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[C@@H]2CCCCN2)(O)(O)O,
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,BAM:B:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:C:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,4I06,,,,,,,
,,,X8A:A:406,valid,ic50,=,67,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O,
,,,X8A:B:406,valid,ic50,=,67,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O,
,,,X8A:C:406,valid,ic50,=,67,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)NC)(O)(O)O,
,,,BME:A:405,invalid,,,,,C(CS)O,
,,,BME:C:405,invalid,,,,,C(CS)O,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:B:405,invalid,,,,,C(CS)O,
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4IXV,,,,,,,
,,,XA1:C:405,valid,ic50,=,240,nM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O,
,,,XA1:A:405,valid,ic50,=,240,nM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O,
,,,XA1:B:405,valid,ic50,=,240,nM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(cc2)Cl)(C(=O)O)N)(O)(O)O,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,4IE3,,,,,,,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:B:405,invalid,,,,,C(CS)O,
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,1EE:B:406,valid,ic50,=,980,nM,[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O,
,,,1EE:A:405,valid,ic50,=,980,nM,[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O,
,,,1EE:C:405,valid,ic50,=,980,nM,[B-](CCCC[C@@](CCN1CCC(CC1)O)(C(=O)O)N)(O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4IE2,,,,,,,
,,,BME:C:405,invalid,,,,,C(CS)O,
,,,BME:B:405,invalid,,,,,C(CS)O,
,,,BME BME:A:404,invalid,,,,,,
,,,BME BME:B:404,invalid,,,,,,
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,1EC:A:405,valid,ic50,=,4500,nM,[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O,
,,,1EC:B:406,valid,ic50,=,4500,nM,[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O,
,,,1EC:C:404,valid,ic50,=,4500,nM,[B-](CCCC[C@@](CCCO)(C(=O)O)N)(O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4HZE,,,,,,,
,,,BME:A:405,invalid,,,,,C(CS)O,
,,,BME:C:405,invalid,,,,,C(CS)O,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:B:405,invalid,,,,,C(CS)O,
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,X7A:B:406,valid,ic50,=,509,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:C:406,valid,ic50,=,509,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,X7A:A:406,valid,ic50,=,509,nM,[B-](CCCC[C@@](CCN1CCCCC1)(C(=O)O)N)(O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,6Q37,,,,,,,
,,,HE8:A:405,valid,ic50,=,440,nM,[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O,
,,,HE8:B:405,valid,ic50,=,440,nM,[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O,
,,,HE8:C:406,valid,ic50,=,440,nM,[B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O,
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,BAM:C:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:B:403,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,4IXU,,,,,,,
,,,BME:A:405,invalid,,,,,C(CS)O,
,,,BME:C:405,invalid,,,,,C(CS)O,
,,,BME:C:404,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,,,BME:B:405,invalid,,,,,C(CS)O,
,,,BEN:A:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:403,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,38I:B:406,valid,ic50,=,23,nM,[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,38I:A:406,valid,ic50,=,23,nM,[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,38I:C:406,valid,ic50,=,23,nM,[B-](CCCC[C@@](C1C[C@H]2CC[C@@H](C1)N2Cc3ccc(c(c3)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4IU0,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ABH:A:403,valid,Ki,=,1.3,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,4IU4,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,S2C:A:405,valid,Ki,~,10,uM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,4IU1,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,NNH:A:403,valid,Ki,~,50,uM,[H]/N=C(/NCC[C@@H](C(=O)O)N)NO,
,,4IU5,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ORN:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,1D3V,,,,,,,
,,,ABH:A:551,valid,Kd,=,0.11,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,ABH:B:552,valid,Kd,=,0.11,uM,[B-](CCCC[C@@H](C(=O)O)N)(O)(O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,1T5G,,,,,,,
,,,ARG:A:1000,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1001,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:1002,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,F:A:602,invalid,,,,,[F-],
,,,F:A:603,invalid,,,,,[F-],
,,,F:B:604,invalid,,,,,[F-],
,,,F:B:605,invalid,,,,,[F-],
,,,F:C:600,invalid,,,,,[F-],
,,,F:C:601,invalid,,,,,[F-],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:C:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,1HQG,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:C:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,ORN:A:801,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:902,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:903,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,URE:A:1901,invalid,,,,,C(=O)(N)N,
,,,URE:B:1902,invalid,,,,,C(=O)(N)N,
,,,URE:C:1903,invalid,,,,,C(=O)(N)N,
,,1T4T,,,,,,,
,,,DIR:A:1000,valid,ic50,<,400,uM,C([C@@H](C(=O)O)N)N/C(=N/O)/N,
,,,DIR:B:1001,valid,ic50,<,400,uM,C([C@@H](C(=O)O)N)N/C(=N/O)/N,
,,,DIR:C:1002,valid,ic50,<,400,uM,C([C@@H](C(=O)O)N)N/C(=N/O)/N,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:C:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,1T5F,,,,,,,
,,,DHH:A:1000,valid,Ki,=,60,uM,C(CCC(O)O)C[C@@H](C(=O)O)N,
,,,DHH:B:1001,valid,Ki,=,60,uM,C(CCC(O)O)C[C@@H](C(=O)O)N,
,,,DHH:C:1002,valid,Ki,=,60,uM,C(CCC(O)O)C[C@@H](C(=O)O)N,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:320,Part of Protein,,,,,[Mn+2],
,,,MN:B:3,Part of Protein,,,,,[Mn+2],
,,,MN:B:5,Part of Protein,,,,,[Mn+2],
,,,MN:C:2,Part of Protein,,,,,[Mn+2],
,,,MN:C:4,Part of Protein,,,,,[Mn+2],
,,1P8R,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:B:604,invalid,,,,,[Cl-],
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,S2C:A:551,valid,,,,,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:B:552,valid,,,,,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,1HQ5,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,S2C:A:551,valid,Kd,=,2.22,uM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:B:552,valid,Kd,=,2.22,uM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,3E9B,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:C:500,Part of Protein,,,,,[Mn+2],
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,S2C:A:502,valid,Ki,=,4500,nM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:B:502,valid,Ki,=,4500,nM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,,,S2C:C:502,valid,Ki,=,4500,nM,[B-](CCSC[C@@H](C(=O)O)N)(O)(O)O,
,Family. Representative Entry is ,4Q3R,,,,,,,
,,,CS:B:406,invalid,,,,,[Cs+],
,,,CS:D:403,invalid,,,,,[Cs+],
,,,CS:B:404,invalid,,,,,[Cs+],
,,,CS:C:406,invalid,,,,,[Cs+],
,,,CS:A:403,invalid,,,,,[Cs+],
,,,CS:C:404,invalid,,,,,[Cs+],
,,,CS:C:403,invalid,,,,,[Cs+],
,,,CS:B:405,invalid,,,,,[Cs+],
,,,CS:A:405,invalid,,,,,[Cs+],
,,,CS:A:404,invalid,,,,,[Cs+],
,,,CS:B:403,invalid,,,,,[Cs+],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:409,invalid,,,,,C(C(CO)O)O,
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,XA2:C:407,valid,Kd,=,0.54,uM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,XA2:B:409,valid,Kd,=,0.54,uM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,XA2:A:407,valid,Kd,=,0.54,uM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,XA2:D:404,valid,Kd,=,0.54,uM,[B-](CCCC[C@@](C1CCN(CC1)Cc2ccc(c(c2)Cl)Cl)(C(=O)O)N)(O)(O)O,
,,,PGE:A:410,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6VST,,,,,,,
,,,MN:H:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:K:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:J:401,Part of Protein,,,,,[Mn+2],
,,,MN:G:401,Part of Protein,,,,,[Mn+2],
,,,MN:G:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:L:401,Part of Protein,,,,,[Mn+2],
,,,MN:L:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:H:402,Part of Protein,,,,,[Mn+2],
,,,MN:J:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:K:401,Part of Protein,,,,,[Mn+2],
,,,MN:I:402,Part of Protein,,,,,[Mn+2],
,,,MN:I:401,Part of Protein,,,,,[Mn+2],
,,,ORN:L:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:H:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:J:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:F:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,5ZEE,,,,,,,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,HAR:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:B:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,5ZEH,,,,,,,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,ORN:B:301,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,5ZEF,,,,,,,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,NVA:A:301,valid,,,,,CCC[C@@H](C(=O)O)N,
,,,NVA:B:301,valid,,,,,CCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3CEV,,,,,,,
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:407,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:402,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:408,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:409,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:404,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:410,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:405,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:411,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:406,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:412,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:C:300,Part of Protein,,,,,[Mn+2],
,,,MN:D:300,Part of Protein,,,,,[Mn+2],
,,,MN:E:300,Part of Protein,,,,,[Mn+2],
,,,MN:F:300,Part of Protein,,,,,[Mn+2],
,,5CEV,,,,,,,
,,,GAI:B:407,invalid,,,,,C(=N)(N)N,
,,,GAI:B:408,invalid,,,,,C(=N)(N)N,
,,,GAI:C:409,invalid,,,,,C(=N)(N)N,
,,,GAI:D:412,invalid,,,,,C(=N)(N)N,
,,,GAI:E:410,invalid,,,,,C(=N)(N)N,
,,,GAI:E:411,invalid,,,,,C(=N)(N)N,
,,,LYS:A:401,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:402,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:403,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:404,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:405,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:A:406,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:300,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:300,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:E:300,Part of Protein,,,,,[Mn+2],
,,,MN:E:301,Part of Protein,,,,,[Mn+2],
,,,MN:F:300,Part of Protein,,,,,[Mn+2],
,,,MN:F:301,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6VSU,,,,,,,
,,,MN:K:402,Part of Protein,,,,,[Mn+2],
,,,MN:G:401,Part of Protein,,,,,[Mn+2],
,,,MN:M:401,Part of Protein,,,,,[Mn+2],
,,,MN:V:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:L:401,Part of Protein,,,,,[Mn+2],
,,,MN:N:402,Part of Protein,,,,,[Mn+2],
,,,MN:T:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:H:402,Part of Protein,,,,,[Mn+2],
,,,MN:J:402,Part of Protein,,,,,[Mn+2],
,,,MN:Q:402,Part of Protein,,,,,[Mn+2],
,,,MN:I:402,Part of Protein,,,,,[Mn+2],
,,,MN:X:401,Part of Protein,,,,,[Mn+2],
,,,MN:H:401,Part of Protein,,,,,[Mn+2],
,,,MN:U:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:P:402,Part of Protein,,,,,[Mn+2],
,,,MN:W:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:Q:401,Part of Protein,,,,,[Mn+2],
,,,MN:S:401,Part of Protein,,,,,[Mn+2],
,,,MN:T:401,Part of Protein,,,,,[Mn+2],
,,,MN:I:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:O:401,Part of Protein,,,,,[Mn+2],
,,,MN:G:402,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:O:402,Part of Protein,,,,,[Mn+2],
,,,MN:S:402,Part of Protein,,,,,[Mn+2],
,,,MN:L:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:R:402,Part of Protein,,,,,[Mn+2],
,,,MN:W:401,Part of Protein,,,,,[Mn+2],
,,,MN:J:401,Part of Protein,,,,,[Mn+2],
,,,MN:X:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:402,Part of Protein,,,,,[Mn+2],
,,,MN:M:402,Part of Protein,,,,,[Mn+2],
,,,MN:N:401,Part of Protein,,,,,[Mn+2],
,,,MN:V:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:P:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:402,Part of Protein,,,,,[Mn+2],
,,,MN:R:401,Part of Protein,,,,,[Mn+2],
,,,MN:U:401,Part of Protein,,,,,[Mn+2],
,,,MN:K:401,Part of Protein,,,,,[Mn+2],
,,,NA:K:404,Part of Protein,,,,,[Na+],
,,,NA:U:404,Part of Protein,,,,,[Na+],
,,,NA:M:403,Part of Protein,,,,,[Na+],
,,,NA:G:403,Part of Protein,,,,,[Na+],
,,,NA:P:404,Part of Protein,,,,,[Na+],
,,,NA:E:403,Part of Protein,,,,,[Na+],
,,,NA:J:403,Part of Protein,,,,,[Na+],
,,,NA:R:403,Part of Protein,,,,,[Na+],
,,,NA:W:404,Part of Protein,,,,,[Na+],
,,,NA:X:403,Part of Protein,,,,,[Na+],
,,,NA:T:403,Part of Protein,,,,,[Na+],
,,,NA:Q:404,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:C:404,Part of Protein,,,,,[Na+],
,,,NA:L:404,Part of Protein,,,,,[Na+],
,,,NA:D:404,Part of Protein,,,,,[Na+],
,,,NA:S:404,Part of Protein,,,,,[Na+],
,,,NA:F:403,Part of Protein,,,,,[Na+],
,,,NA:I:403,Part of Protein,,,,,[Na+],
,,,NA:V:403,Part of Protein,,,,,[Na+],
,,,NA:O:403,Part of Protein,,,,,[Na+],
,,,NA:H:405,Part of Protein,,,,,[Na+],
,,,NA:N:404,Part of Protein,,,,,[Na+],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:U:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:405,invalid,,,,,C(C(CO)O)O,
,,,PEG:L:408,invalid,,,,,C(COCCO)O,
,,,PEG:L:406,invalid,,,,,C(COCCO)O,
,,,PEG:G:406,invalid,,,,,C(COCCO)O,
,,,PEG:G:407,invalid,,,,,C(COCCO)O,
,,,PEG:L:407,invalid,,,,,C(COCCO)O,
,,,ORN:K:406,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:P:405,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:404,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:404,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:405,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:U:405,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:V:404,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:404,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:F:405,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
2.4.1.37,,,,,,,,,
,Family. Representative Entry is ,3IOI,,,,,,,
,,,1GW:A:355,valid,Ki,=,0.53,uM,c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1R7X,,,,,,,
,,,AIG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
,,1WT1,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2RJ6,,,,,,,
,,,BHE:A:452,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,1ZI4,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,1LZJ,,,,,,,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,3SX8,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:7,Part of Protein,,,,,[Mn+2],
,,,PEG:A:3,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1R7Y,,,,,,,
,,,AIG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
,,,HG:A:405,invalid,,,,,[Hg+2],
,,1R7T,,,,,,,
,,,DLG FUC:B:1,valid,,,,,,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
,,2RJ0,,,,,,,
,,,GOL:A:356,invalid,,,,,C(C(CO)O)O,
,,,MN:A:6,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1ZI5,,,,,,,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5C3D,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,URM:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,PG0:A:402,invalid,,,,,COCCOCCO,
,,3SX3,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:355,invalid,,,,,C(C(CO)O)O,
,,,MN:A:356,Part of Protein,,,,,[Mn+2],
,,,PEG:A:4,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1R82,,,,,,,
,,,AOG FUC:B:1,valid,,,,,O(CCCCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,GDU:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,4FRO,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,GAL:A:404,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FRM,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5C4B,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,1ZJ0,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,GLC GAL:B:1,valid,,,,,,
,,5C38,,,,,,,
,,,DA8:A:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,URM:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,5C47,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,PG0:A:403,invalid,,,,,COCCOCCO,
,,,URM:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,5C48,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,URM:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,4FRL,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GAL:A:403,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3SXB,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:355,Part of Protein,,,,,[Mn+2],
,,,PEG:A:3,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1ZJO,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,DR4:A:1,valid,,,,,COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MN:A:450,Part of Protein,,,,,[Mn+2],
,,,UDP:A:2,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2RJ5,,,,,,,
,,,GOL:A:356,invalid,,,,,C(C(CO)O)O,
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2O1H,,,,,,,
,,,MN:A:450,Part of Protein,,,,,[Mn+2],
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1R7V,,,,,,,
,,,AIG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
,,5C1H,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,DA8:A:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,GDU:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,4FQW,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,3IOJ,,,,,,,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3968,invalid,,,,,C(C(CO)O)O,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,MN:B:406,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1ZJ1,,,,,,,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,NDG GAL:B:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,5C3B,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,URM:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3V0L,,,,,,,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,2GW:A:450,valid,Ki,=,3,uM,c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A8W,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,MN:A:450,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2RJ7,,,,,,,
,,,DA8:A:452,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,GDU:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MN:A:453,Part of Protein,,,,,[Mn+2],
,,3SXD,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:355,Part of Protein,,,,,[Mn+2],
,,,PEG:A:3,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2A8U,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,MN:A:450,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGL GAL:B:1,valid,,,,,O(C)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,5C4F,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,4FRA,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5C1G,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,PG0:A:404,invalid,,,,,COCCOCCO,
,,,GDU:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3V0P,,,,,,,
,,,4GW:A:402,valid,,,,,c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,4GW:B:402,valid,,,,,c1cc(sc1C=O)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,BHE:A:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,BHE:B:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5C4C,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,PG0:A:404,invalid,,,,,COCCOCCO,
,,,DA8:A:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,4FRD,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1ZIZ,,,,,,,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,GAL:A:1,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3I0F,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,U:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UDP:A:357,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FRE,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3SXA,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,MN:A:6,Part of Protein,,,,,[Mn+2],
,,,PEG:A:7,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1ZJP,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,DR4:A:1,valid,,,,,COC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MN:A:450,Part of Protein,,,,,[Mn+2],
,,,UDP:A:2,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5C49,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,4YA:A:402,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,UDP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5C3A,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,URM:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,5C4E,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PG0:A:404,invalid,,,,,COCCOCCO,
,,,4YA:A:403,valid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3ZGG,,,,,,,
,,,MN:A:1348,Part of Protein,,,,,[Mn+2],
,,,IUG:A:1346,valid,,,,,c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,3I0I,,,,,,,
,,,UDP:X:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1WT2,,,,,,,
,,,DLG FUC:B:1,valid,,,,,,
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4GBP,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GAL:A:404,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3V0Q,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BHE:A:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,BHE:B:403,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3I0G,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,UDP:A:357,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP GAL:A:358,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,,1ZI3,,,,,,,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,NDG GAL:B:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,1ZHJ,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,GAL:A:1,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4FRQ,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,GAL:A:404,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3I0L,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,UDP:A:357,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP GAL:A:358,valid,,,,,P(=O)(OP(=O)(OC1C(O)C(O)C(O)C(CO)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,,5C4D,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,PG0:A:404,invalid,,,,,COCCOCCO,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3ZGF,,,,,,,
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,IUG:B:452,valid,,,,,c1ccc(c(c1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O)O)[N+](=O)O,
,,,UDP:A:1355,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:B:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5C8R,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3SXG,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:355,Part of Protein,,,,,[Mn+2],
,,,PEG:A:3,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3I0J,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,3SX5,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:355,Part of Protein,,,,,[Mn+2],
,,,PEG:A:4,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3SXC,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:8,Part of Protein,,,,,[Mn+2],
,,,PEG:A:9,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3V0M,,,,,,,
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,5GW:B:450,valid,,,,,c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,5GW:A:450,valid,,,,,c1ccc(cc1)C2=CN(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,BHE:B:475,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,BHE:A:475,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,SO4:B:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FRP,,,,,,,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GAL:A:403,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FRB,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3I0D,,,,,,,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5TJN,,,,,,,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,HSH GLA FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,1R80,,,,,,,
,,,AIG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,2RJ9,,,,,,,
,,,AD7:A:356,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,UDP:A:357,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3I0K,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2RJ1,,,,,,,
,,,BHE:A:452,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,GOL:A:454,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,UDP:A:453,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FRH,,,,,,,
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GAL:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,2RJ4,,,,,,,
,,,AD7:A:356,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)N)O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O,
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3I0E,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,5C1L,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,GDU:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,2RJ8,,,,,,,
,,,BHE:A:452,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,MN:A:356,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1R7U,,,,,,,
,,,DLG FUC:B:1,valid,,,,,,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
,,2RIX,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,UDP:A:356,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5TJO,,,,,,,
,,,HSH GLA FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,1ZJ3,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5BXC,,,,,,,
,,,DA8:A:401,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5TJL,,,,,,,
,,,HSH A2G FUC:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OCCCCCC)OC(CO)C1O)C,
,,1LZI,,,,,,,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,2RIY,,,,,,,
,,,BHE:A:452,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,3SXE,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:355,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:356,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3SX7,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,MN:A:9,Part of Protein,,,,,[Mn+2],
,,,PEG:A:10,invalid,,,,,C(COCCO)O,
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5C36,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,DA8:A:402,valid,,,,,CCCCCCCCO[C@H]1[C@@H](C[C@H]([C@H](O1)CO)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O)O,
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5TJK,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,HSH A2G FUC:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OCCCCCC)OC(CO)C1O)C,
,,1ZJ2,,,,,,,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,MN:A:409,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,1WT3,,,,,,,
,,,BHG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)CC(O)C(CO)O1,
,,,UDP:A:475,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1R81,,,,,,,
,,,AIG FUC:B:1,valid,,,,,O(CCCCCC)C1C(OC2C(O)C(O)C(O)C(C)O2)C([NH3+])C(O)C(CO)O1,
,,,UD2:A:475,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HG:A:401,invalid,,,,,[Hg+2],
,,,HG:A:402,invalid,,,,,[Hg+2],
,,,HG:A:403,invalid,,,,,[Hg+2],
,,,HG:A:404,invalid,,,,,[Hg+2],
2.7.7.13,,,,,,,,,
,Family. Representative Entry is ,2X65,,,,,,,
,,,M1P:A:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,M1P:B:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,MPD:A:1337,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1338,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1339,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1335,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1336,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:B:602,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.15.5,,,,,,,,,
,Family. Representative Entry is ,1Y79,,,,,,,
,,,GLY ASP:1:703,valid,ic50,=,12,uM,O=C([O-])C(NC(=O)CN)CC(=O)[O-],
,,,LYS TRP:1:701,valid,ic50,=,9,uM,O=C([O-])C(NC(=O)C(N)CCCC[NH3+])Cc1c2c([nH]c1)cccc2,
,,,ZN:1:700,Part of Protein,,,,,[Zn+2],
1.14.12.17,,,,,,,,,
,Family. Representative Entry is ,3OZV,,,,,,,
,,,DGG:A:406,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC,
,,,DGG:B:406,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC,
,,,ECN:A:411,valid,Kd,=,1.28,uM,c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl,
,,,ECN:B:411,valid,Kd,=,1.28,uM,c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl,
,,,FAD:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3OZW,,,,,,,
,,,DGG:A:416,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@H]1C[C@H]1CCCCCC,
,,,FAD:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,KKK:A:413,valid,Kd,=,10.1,uM,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,KKK:B:413,valid,Kd,=,10.1,uM,CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3OZU,,,,,,,
,,,FAD:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,X89:A:411,valid,Kd,=,2.6,uM,c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl,
1.13.11.37,,,,,,,,,
,Family. Representative Entry is ,1TMX,,,,,,,
,,,BEZ:A:881,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:882,valid,,,,,c1ccc(cc1)C(=O)O,
,,,CL:A:891,invalid,,,,,[Cl-],
,,,CU:A:871,Part of Protein,,,,,[Cu+2],
,,,FE:A:861,Part of Protein,,,,,[Fe+3],
,,,FE:B:862,Part of Protein,,,,,[Fe+3],
,,,HGX:A:851,valid,,,,,CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,HGX:B:852,valid,,,,,CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.1.207,,,,,,,,,
,Family. Representative Entry is ,1UMZ,,,,,,,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,BGC BGC BGC XYS XYS GAL:F:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC BGC XYS XYS GAL:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
1.1.1.40,,,,,,,,,
,Family. Representative Entry is ,1GQ2,,,,,,,
,,,CL:B:1584,invalid,,,,,[Cl-],
,,,CL:C:1588,invalid,,,,,[Cl-],
,,,CL:C:1589,invalid,,,,,[Cl-],
,,,CL:C:1590,invalid,,,,,[Cl-],
,,,CL:C:1591,invalid,,,,,[Cl-],
,,,CL:E:1584,invalid,,,,,[Cl-],
,,,CL:E:1585,invalid,,,,,[Cl-],
,,,CL:E:1586,invalid,,,,,[Cl-],
,,,CL:F:1586,invalid,,,,,[Cl-],
,,,CL:F:1587,invalid,,,,,[Cl-],
,,,CL:G:1585,invalid,,,,,[Cl-],
,,,CL:H:1589,invalid,,,,,[Cl-],
,,,CL:I:1586,invalid,,,,,[Cl-],
,,,CL:I:1587,invalid,,,,,[Cl-],
,,,CL:I:1588,invalid,,,,,[Cl-],
,,,CL:I:1589,invalid,,,,,[Cl-],
,,,CL:I:1590,invalid,,,,,[Cl-],
,,,CL:J:1586,invalid,,,,,[Cl-],
,,,CL:J:1587,invalid,,,,,[Cl-],
,,,CL:K:1585,invalid,,,,,[Cl-],
,,,CL:L:1585,invalid,,,,,[Cl-],
,,,CL:M:1590,invalid,,,,,[Cl-],
,,,CL:M:1591,invalid,,,,,[Cl-],
,,,CL:M:1592,invalid,,,,,[Cl-],
,,,CL:N:1585,invalid,,,,,[Cl-],
,,,CL:N:1586,invalid,,,,,[Cl-],
,,,CL:O:1588,invalid,,,,,[Cl-],
,,,CL:O:1589,invalid,,,,,[Cl-],
,,,CL:O:1590,invalid,,,,,[Cl-],
,,,CL:O:1591,invalid,,,,,[Cl-],
,,,CL:P:1589,invalid,,,,,[Cl-],
,,,CL:P:1590,invalid,,,,,[Cl-],
,,,CL:P:1591,invalid,,,,,[Cl-],
,,,MN:A:1584,Part of Protein,,,,,[Mn+2],
,,,MN:B:1583,Part of Protein,,,,,[Mn+2],
,,,MN:C:1583,Part of Protein,,,,,[Mn+2],
,,,MN:D:1583,Part of Protein,,,,,[Mn+2],
,,,MN:E:1583,Part of Protein,,,,,[Mn+2],
,,,MN:F:1583,Part of Protein,,,,,[Mn+2],
,,,MN:G:1583,Part of Protein,,,,,[Mn+2],
,,,MN:H:1583,Part of Protein,,,,,[Mn+2],
,,,MN:I:1583,Part of Protein,,,,,[Mn+2],
,,,MN:J:1583,Part of Protein,,,,,[Mn+2],
,,,MN:K:1583,Part of Protein,,,,,[Mn+2],
,,,MN:L:1583,Part of Protein,,,,,[Mn+2],
,,,MN:M:1583,Part of Protein,,,,,[Mn+2],
,,,MN:N:1583,Part of Protein,,,,,[Mn+2],
,,,MN:O:1583,Part of Protein,,,,,[Mn+2],
,,,MN:P:1583,Part of Protein,,,,,[Mn+2],
,,,NA:C:1584,Part of Protein,,,,,[Na+],
,,,NA:C:1585,Part of Protein,,,,,[Na+],
,,,NA:C:1586,Part of Protein,,,,,[Na+],
,,,NA:C:1587,Part of Protein,,,,,[Na+],
,,,NA:D:1584,Part of Protein,,,,,[Na+],
,,,NA:D:1585,Part of Protein,,,,,[Na+],
,,,NA:F:1584,Part of Protein,,,,,[Na+],
,,,NA:F:1585,Part of Protein,,,,,[Na+],
,,,NA:G:1584,Part of Protein,,,,,[Na+],
,,,NA:H:1584,Part of Protein,,,,,[Na+],
,,,NA:H:1585,Part of Protein,,,,,[Na+],
,,,NA:H:1586,Part of Protein,,,,,[Na+],
,,,NA:H:1587,Part of Protein,,,,,[Na+],
,,,NA:H:1588,Part of Protein,,,,,[Na+],
,,,NA:I:1584,Part of Protein,,,,,[Na+],
,,,NA:I:1585,Part of Protein,,,,,[Na+],
,,,NA:J:1584,Part of Protein,,,,,[Na+],
,,,NA:J:1585,Part of Protein,,,,,[Na+],
,,,NA:K:1584,Part of Protein,,,,,[Na+],
,,,NA:L:1584,Part of Protein,,,,,[Na+],
,,,NA:M:1584,Part of Protein,,,,,[Na+],
,,,NA:M:1585,Part of Protein,,,,,[Na+],
,,,NA:M:1586,Part of Protein,,,,,[Na+],
,,,NA:M:1587,Part of Protein,,,,,[Na+],
,,,NA:M:1588,Part of Protein,,,,,[Na+],
,,,NA:M:1589,Part of Protein,,,,,[Na+],
,,,NA:N:1584,Part of Protein,,,,,[Na+],
,,,NA:O:1584,Part of Protein,,,,,[Na+],
,,,NA:O:1585,Part of Protein,,,,,[Na+],
,,,NA:O:1586,Part of Protein,,,,,[Na+],
,,,NA:O:1587,Part of Protein,,,,,[Na+],
,,,NA:P:1584,Part of Protein,,,,,[Na+],
,,,NA:P:1585,Part of Protein,,,,,[Na+],
,,,NA:P:1586,Part of Protein,,,,,[Na+],
,,,NA:P:1587,Part of Protein,,,,,[Na+],
,,,NA:P:1588,Part of Protein,,,,,[Na+],
,,,NAP:A:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:L:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:M:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:N:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:O:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:1581,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OXL:A:1583,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:H:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:I:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:J:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:K:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:L:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:M:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:N:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:O:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:P:1582,valid,,,,,C(=O)(C(=O)[O-])[O-],
2.3.1.108,,,,,,,,,
,Family. Representative Entry is ,4H6U,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,K:A:202,Part of Protein,,,,,[K+],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4HKF,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4B5P,,,,,,,
,,,ACO:A:1197,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1197,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:B:401,invalid,,,,,[Na+],
,Family. Representative Entry is ,4PK3,,,,,,,
,,,ACE SER ASP ALY THR NH2 COA:B:1,valid,ic50,~,100,uM,S(CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(=O)[O-])C(=O)NC(C(=O)[NH3+])C(O)C)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,4B5O,,,,,,,
,,,ACO:A:1197,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NA:A:1196,invalid,,,,,[Na+],
,,4IF5,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.13.11.34,,,,,,,,,
,Family. Representative Entry is ,3V99,,,,,,,
,,,ACD:A:702,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,FE2:A:701,Part of Protein,,,,,[Fe+2],
,,,FE2:B:701,Part of Protein,,,,,[Fe+2],
3.5.4.29,,,,,,,,,
,Family. Representative Entry is ,2QV6,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,GTP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:301,Part of Protein,,,,,[K+],
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:C:301,Part of Protein,,,,,[K+],
,,,K:D:301,Part of Protein,,,,,[K+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:C:303,Part of Protein,,,,,[Na+],
,,,NA:D:303,Part of Protein,,,,,[Na+],
1.4.3.10,,,,,,,,,
,Family. Representative Entry is ,2YG3,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1453,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1455,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1452,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1453,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YG4,,,,,,,
,,,4HA:A:601,invalid,,,,,C(CCO)C[NH3+],
,,,4HA:B:601,invalid,,,,,C(CCO)C[NH3+],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1452,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1455,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1452,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
1.8.99.2,,,,,,,,,
,Family. Representative Entry is ,1JNR,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:6503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2FJE,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1JNZ,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO3:A:1001,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:3001,invalid,,,,,[O-]S(=O)[O-],
,,2FJD,,,,,,,
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SFD:A:1000,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,,SFD:C:3000,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,2FJA,,,,,,,
,,,ADX:C:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,ADX:C:3200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OS(=O)(=O)O)O)O)N,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:3000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2FJB,,,,,,,
,,,AMP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NA:C:8000,invalid,,,,,[Na+],
,,,SF4:B:1100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3100,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:3110,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SFD:A:1000,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,,SFD:C:3000,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
6.3.3.5,,,,,,,,,
,Family. Representative Entry is ,6JIL,,,,,,,
,,,TLA:C:401,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:402,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:402,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:401,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:401,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:403,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:403,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:401,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,MG:C:406,Part of Protein,,,,,[Mg+2],
,,,MG:D:406,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:D:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,ADP:C:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
5.3.3.-,,,,,,,,,
,Family. Representative Entry is ,6P3H,,,,,,,
,,,NQM:A:401,valid,,,,,C(/C(=CC(=O)O)/C(=O)O)C(=O)C(=O)O,
,,,NQM:B:401,valid,,,,,C(/C(=CC(=O)O)/C(=O)O)C(=O)C(=O)O,
,,,NQM:D:401,valid,,,,,C(/C(=CC(=O)O)/C(=O)O)C(=O)C(=O)O,
,,,NQM:C:401,valid,,,,,C(/C(=CC(=O)O)/C(=O)O)C(=O)C(=O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4DBH,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,OXL:A:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
2.1.1.44,,,,,,,,,
,Family. Representative Entry is ,4PIO,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SAH:A:401,valid,Kd,=,210,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,Kd,=,210,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,AVI:B:402,valid,Kd,=,2,uM,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,,AVI:A:402,valid,Kd,=,2,uM,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,6FNS,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DY8:A:401,valid,Ki,=,93,uM,c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2,
,,,DY8:B:401,valid,Ki,=,93,uM,c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCOCC2,
,,4UY7,,,,,,,
,,,HIS:B:800,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:800,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,4PIP,,,,,,,
,,,SAH:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TRP:C:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,MG:C:404,invalid,,,,,[Mg+2],
,,,CL:C:401,invalid,,,,,[Cl-],
,,6FNQ,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,AVJ:B:401,valid,Kd,=,26,uM,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,,AVJ:A:401,valid,Kd,=,26,uM,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,6FNT,,,,,,,
,,,AVO:A:401,valid,Ki,=,21,uM,c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2,
,,,AVO:B:401,valid,Ki,=,21,uM,c1c([nH]c[nH+]1)C[C@@H](C(=O)O)[NH+]2CCCC2,
,,4PIN,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AVI:B:401,valid,Kd,=,4,uM,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,,AVI:A:401,valid,Kd,=,4,uM,CN(C)[C@@H](Cc1c[nH]cn1)C(=O)O,
,,6FNR,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,DYT:B:402,valid,Ki,=,2.6,uM,c1c([nH]cn1)C[C@@H](C(=O)O)Cl,
,,,DYT:A:403,valid,Ki,=,2.6,uM,c1c([nH]cn1)C[C@@H](C(=O)O)Cl,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,4UY6,,,,,,,
,,,TRS:A:1802,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1801,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1803,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,HIS:A:800,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
5.5.1.1,,,,,,,,,
,Family. Representative Entry is ,3DGB,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MUC:A:1001,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,3FJ4,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MUC:A:383,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
,,,MUC:B:383,valid,,,,,C1=CC(=O)O[C@H]1CC(=O)O,
6.3.2.12,,,,,,,,,
,Family. Representative Entry is ,1W78,,,,,,,
,,,ADP:A:1425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1422,Part of Protein,,,,,[Mg+2],
,,,MG:A:1423,Part of Protein,,,,,[Mg+2],
,,,PD8:A:1421,valid,,,,,c1cc(ccc1C(=O)OP(=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N,
,,,SO4:A:1424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W7K,,,,,,,
,,,ADP:A:1421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1423,Part of Protein,,,,,[Mg+2],
,,,MG:A:1424,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1422,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.1.46,,,,,,,,,
,Family. Representative Entry is ,4X1T,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
3.1.4.38,,,,,,,,,
,Family. Representative Entry is ,1WRA,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:402,Part of Protein,,,,,[Fe+3],
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:506,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:507,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1506,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PC:A:501,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:501,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
3.4.24.17,,,,,,,,,
,Family. Representative Entry is ,1HFS,,,,,,,
,,,CA:A:259,Part of Protein,,,,,[Ca+2],
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,L04:A:256,valid,Ki,=,2,nM,CC(C)C[C@@H](C(=O)Nc1ccccc1)NC(=O)[C@H](CCc2ccc(cc2)c3ccc(cc3)F)C[C@H](CCCCN4Cc5ccccc5C4=O)C(=O)O,
,,,ZN:A:257,Part of Protein,,,,,[Zn+2],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,1D8M,,,,,,,
,,,BBH:B:901,valid,,,,,COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1BIW,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,S80:B:401,valid,ic50,=,104,nM,CC(C)C[C@H](C(CCCO)C(=O)NO)C(=O)N[C@H]1CCCCN(C1=O)CCOC,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,4DPE,,,,,,,
,,,PT:B:309,invalid,,,,,[Pt+2],
,,,PT:A:306,invalid,,,,,[Pt+2],
,,,PT:B:307,invalid,,,,,[Pt+2],
,,,PT:B:308,invalid,,,,,[Pt+2],
,,,PT:B:306,invalid,,,,,[Pt+2],
,,,PT:B:310,invalid,,,,,[Pt+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:B:312,invalid,,,,,[Cl-],
,,,NGH:B:313,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,2D1O,,,,,,,
,,,CA:A:259,Part of Protein,,,,,[Ca+2],
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,CA:B:264,Part of Protein,,,,,[Ca+2],
,,,CA:B:265,Part of Protein,,,,,[Ca+2],
,,,CA:B:266,Part of Protein,,,,,[Ca+2],
,,,FA4:A:1001,valid,Ki,=,0.02,uM,[H]/N=C(/N)NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO,
,,,FA4:B:1002,valid,Ki,=,0.02,uM,[H]/N=C(/N)NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO,
,,,ZN:A:257,Part of Protein,,,,,[Zn+2],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:263,Part of Protein,,,,,[Zn+2],
,,1HY7,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,MBS:B:901,valid,ic50,=,4090,nM,COCC#CC[C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1BQO,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,N25:B:401,valid,ic50,=,18.4,nM,CC1(C[N@](C([N@](C1)S(=O)(=O)c2ccc(cc2)OC)C(=O)NO)S(=O)(=O)c3ccc(cc3)OC)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,2USN,,,,,,,
,,,CA:A:259,Part of Protein,,,,,[Ca+2],
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,IN8:A:300,valid,Ki,=,0.31,uM,c1ccc(cc1)COC(=O)N[C@H](CC(=O)Nc2nnc(s2)S)c3ccccc3,
,,,ZN:A:257,Part of Protein,,,,,[Zn+2],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,1B3D,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,S27:B:401,valid,,,,,CC(C)C[C@H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c2ccccc2,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,1CIZ,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,DPS:A:307,valid,Ki,=,36,nM,c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1D8F,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,SPI:B:901,valid,ic50,=,18,nM,COc1ccc(cc1)S(=O)(=O)[N@@]2CCN(C[C@@H]2C(=O)NO)C(=O)OCc3ccccc3,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1D7X,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,SPC:A:401,valid,,,,,COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC,
,,,SPC:B:901,valid,,,,,COc1ccc(cc1)S(=O)(=O)[N@@]2CC(C[C@@H]2C(=O)NO)NOC,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1G05,,,,,,,
,,,BBH:B:901,valid,ic50,=,3.1,nM,COc1ccc(cc1)S(=O)(=O)[N@]2CN(C(=O)C[C@@H]2C(=O)NO)Cc3ccccc3,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1B8Y,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,IN7:A:502,valid,Ki,=,14,nM,c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)NCC(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1CAQ,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,DPS:A:502,valid,Ki,=,19,nM,c1ccc(cc1)C2CCN(CC2)c3ccc(cc3)S(=O)(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1G4K,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,HQQ:A:306,valid,,,,,CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3,
,,,HQQ:B:306,valid,,,,,CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3,
,,,HQQ:C:306,valid,,,,,CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3ccccc3,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,4JA1,,,,,,,
,,,PT:A:306,invalid,,,,,[Pt+2],
,,,PT:B:307,invalid,,,,,[Pt+2],
,,,PT:B:308,invalid,,,,,[Pt+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,NGH:B:306,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,1G49,,,,,,,
,,,111:B:901,valid,ic50,=,16,nM,CCCCOc1ccc(cc1)S(=O)(=O)[N@@]2C[C@H](C[C@@H]2C(=O)NO)NS(=O)(=O)C,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,1SLN,,,,,,,
,,,CA:A:259,Part of Protein,,,,,[Ca+2],
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,INH:A:256,valid,Ki,=,0.23,uM,C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2,
,,,ZN:A:257,Part of Protein,,,,,[Zn+2],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,1C3I,,,,,,,
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,CA:A:263,Part of Protein,,,,,[Ca+2],
,,,CA:A:264,Part of Protein,,,,,[Ca+2],
,,,CA:B:262,Part of Protein,,,,,[Ca+2],
,,,CA:B:263,Part of Protein,,,,,[Ca+2],
,,,CA:B:264,Part of Protein,,,,,[Ca+2],
,,,TR1:B:1,valid,,,,,CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)[C@H](CS)NCc1ccc(cc1)c2ccccc2,
,,,ZN:A:260,Part of Protein,,,,,[Zn+2],
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,1USN,,,,,,,
,,,CA:A:259,Part of Protein,,,,,[Ca+2],
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:A:261,Part of Protein,,,,,[Ca+2],
,,,IN9:A:300,valid,Ki,=,0.018,uM,CNC(=O)[C@H](Cc1c(c(c(c(c1F)F)F)F)F)NC(=O)Nc2nnc(s2)S,
,,,ZN:A:257,Part of Protein,,,,,[Zn+2],
,,,ZN:A:258,Part of Protein,,,,,[Zn+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,4G9L,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,NGH:B:307,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
3.2.1.136,,,,,,,,,
,Family. Representative Entry is ,3KL3,,,,,,,
,,,BDP:B:402,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,DHI:A:403,valid,,,,,c1c([nH+]c[nH]1)C[C@H](C(=O)O)N,
,,,DHI:B:404,valid,,,,,c1c([nH+]c[nH]1)C[C@H](C(=O)O)N,
,,,GCU:A:402,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GCU:B:403,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:402,invalid,,,,,C(COCCOCCOCCO)O,
1.5.1.12,,,,,,,,,
,Family. Representative Entry is ,3HAZ,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6BSN,,,,,,,
,,,PRO:A:2002,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:2003,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:2004,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:2006,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:2005,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,SO4:B:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FDA:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4Q73,,,,,,,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2006,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Q71,,,,,,,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2006,invalid,,,,,C(C(CO)O)O,
,,4Q72,,,,,,,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4NS3,,,,,,,
,,,NAD:F:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,B12:B:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:D:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:A:601,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,4IHI,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4JDC,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2BJK,,,,,,,
,,,CL:A:1523,invalid,,,,,[Cl-],
,,,CL:B:1524,invalid,,,,,[Cl-],
,,,FLC:A:1518,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1518,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MPD:A:1520,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1521,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1522,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1520,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1522,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1519,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1519,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1521,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1523,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2BHP,,,,,,,
,,,ACT:A:1518,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1519,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1520,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1520,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1521,invalid,,,,,CC(=O)[O-],
,,,MPD:A:1522,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1524,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1525,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1518,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1521,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1523,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1527,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1528,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1523,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:1527,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:1526,Part of Protein,,,,,[Na+],
,,,NA:B:1524,Part of Protein,,,,,[Na+],
,,,NAD:A:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2EHQ,,,,,,,
,,,ACT:A:1519,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1520,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2519,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2520,invalid,,,,,CC(=O)[O-],
,,,MPD:A:1531,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1533,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1534,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2531,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2532,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2533,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2535,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1540,Part of Protein,,,,,[Na+],
,,,NA:B:2540,Part of Protein,,,,,[Na+],
,,,NAP:A:1518,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2518,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BJA,,,,,,,
,,,ACT:A:1518,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1518,invalid,,,,,CC(=O)[O-],
,,,CL:A:1519,invalid,,,,,[Cl-],
,,,CL:B:1519,invalid,,,,,[Cl-],
,,,MPD:B:1520,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1520,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4LH0,,,,,,,
,,,GLV:A:603,invalid,,,,,C(=O)C(=O)O,
,,,GLV:A:601,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:601,valid,,,,,C(=O)C(=O)O,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,3V9L,,,,,,,
,,,GOL:A:564,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:565,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1518,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4LH1,,,,,,,
,,,MLA:A:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,3V9K,,,,,,,
,,,GLU:A:1517,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1518,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:564,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:565,invalid,,,,,C(C(CO)O)O,
,,4LH2,,,,,,,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SIN:A:602,valid,Ki,=,58,mM,C(CC(=O)O)C(=O)O,
,,,SIN:B:602,valid,Ki,=,58,mM,C(CC(=O)O)C(=O)O,
,,4LH3,,,,,,,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GUA:A:602,valid,Ki,=,30,mM,C(CC(=O)O)CC(=O)O,
,,,GUA:B:602,valid,Ki,=,30,mM,C(CC(=O)O)CC(=O)O,
4.1.1.48,,,,,,,,,
,Family. Representative Entry is ,1JCM,,,,,,,
,,,137:P:400,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:P:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3NZ1,,,,,,,
,,,3NY:A:262,valid,,,,,c1cc2c(cc1[N+](=O)[O-])nn[nH]2,
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TLA:A:269,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:270,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:271,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6Y88,,,,,,,
,,,137:A:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:H:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:B:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:E:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:C:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:D:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:F:301,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CIT:E:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,PO4:G:301,invalid,,,,,[O-]P(=O)([O-])[O-],
1.17.1.2,,,,,,,,,
,Family. Representative Entry is ,4H4D,,,,,,,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,10E:A:402,valid,ic50,=,0.15,uM,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CN,
,,,10E:B:402,valid,ic50,=,0.15,uM,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CN,
,,4EB3,,,,,,,
,,,0O3:B:402,valid,,,,,C=C(CCOP(=O)(O)OP(=O)(O)O)CO,
,,,0O3:A:402,valid,,,,,C=C(CCOP(=O)(O)OP(=O)(O)O)CO,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3SZO,,,,,,,
,,,H6P:A:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,SF4:A:997,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:997,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4H4E,,,,,,,
,,,10G:B:402,valid,ic50,=,0.21,uM,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CS,
,,,10G:A:402,valid,ic50,=,0.21,uM,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CS,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3UWM,,,,,,,
,,,0JX:A:403,valid,,,,,C(COP(=O)(O)OP(=O)(O)O)/C=C/O,
,,,0JX:B:403,valid,,,,,C(COP(=O)(O)OP(=O)(O)O)/C=C/O,
,,,0K2:A:402,valid,,,,,C(CC=O)COP(=O)(O)OP(=O)(O)O,
,,,0K2:B:402,valid,,,,,C(CC=O)COP(=O)(O)OP(=O)(O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4MUY,,,,,,,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:A:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,2E5:A:402,valid,,,,,c1cnccc1COP(=O)(O)OP(=O)(O)O,
,,,2E5:B:402,valid,,,,,c1cnccc1COP(=O)(O)OP(=O)(O)O,
,,4H4C,,,,,,,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,10D:B:402,valid,,,,,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CF,
,,,10D:A:402,valid,,,,,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CF,
,,3SZU,,,,,,,
,,,F3S:A:997,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:997,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,H6P:A:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,3UV7,,,,,,,
,,,0CN:A:318,valid,,,,,C=C=CCOP(=O)(O)OP(=O)(O)O,
,,,0CN:B:318,valid,,,,,C=C=CCOP(=O)(O)OP(=O)(O)O,
,,,SF4:A:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3SZL,,,,,,,
,,,H6P:A:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,SF4:A:997,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:997,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3URK,,,,,,,
,,,0CG:A:318,valid,,,,,C#CCOP(=O)(O)OP(=O)(O)O,
,,,0CG:B:318,valid,,,,,C#CCOP(=O)(O)OP(=O)(O)O,
,,,SF4:A:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3UV6,,,,,,,
,,,0CH:A:318,valid,,,,,C(CCOP(=O)(O)OP(=O)(O)O)CO,
,,,0CH:B:318,valid,,,,,C(CCOP(=O)(O)OP(=O)(O)O)CO,
,,,SF4:A:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4MUX,,,,,,,
,,,2E4:A:402,valid,,,,,c1cc(cnc1)COP(=O)(O)OP(=O)(O)O,
,,,2E4:B:402,valid,,,,,c1cc(cnc1)COP(=O)(O)OP(=O)(O)O,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3UV3,,,,,,,
,,,0CM:A:318,valid,,,,,CC#CCOP(=O)(O)OP(=O)(O)O,
,,,0CM:B:318,valid,,,,,CC#CCOP(=O)(O)OP(=O)(O)O,
,,,SF4:A:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3T0G,,,,,,,
,,,F3S:A:997,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:997,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,H6P:A:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,3UTC,,,,,,,
,,,0JX:A:318,valid,,,,,C(COP(=O)(O)OP(=O)(O)O)/C=C/O,
,,,0JX:B:318,valid,,,,,C(COP(=O)(O)OP(=O)(O)O)/C=C/O,
,,,SF4:A:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4MV5,,,,,,,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:A:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,2E7:A:402,valid,,,,,c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl,
,,,2E7:B:402,valid,,,,,c1cc(ncc1COP(=O)(O)OP(=O)(O)O)Cl,
,,3UTD,,,,,,,
,,,0CJ:A:318,valid,,,,,CC(=O)CCCOP(=O)(O)OP(=O)(O)O,
,,,0CJ:B:318,valid,,,,,CC(=O)CCCOP(=O)(O)OP(=O)(O)O,
,,,F3S:A:317,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:317,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,3T0F,,,,,,,
,,,F3S:A:317,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:317,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,H6P:A:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:998,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,4MV0,,,,,,,
,,,F3S:B:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:A:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,2E6:A:402,valid,,,,,c1ccnc(c1)COP(=O)(O)OP(=O)(O)O,
,,,2E6:B:402,valid,,,,,c1ccnc(c1)COP(=O)(O)OP(=O)(O)O,
4.2.1.116,,,,,,,,,
,Family. Representative Entry is ,5ZAI,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:F:301,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
2.7.7.67,,,,,,,,,
,Family. Representative Entry is ,5GUF,,,,,,,
,,,CTP:A:201,valid,Kd,=,0.2,M,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:A:204,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,K:A:205,Part of Protein,,,,,[K+],
1.2.7.-,,,,,,,,,
,Family. Representative Entry is ,5B48,,,,,,,
,,,TDN:B:402,valid,,,,,CC/C(=C1/N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)/O,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5B47,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:B:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,PYR:A:701,valid,,,,,CC(=O)C(=O)O,
,,5B46,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TPP:B:402,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
2.10.1.1,,,,,,,,,
,Family. Representative Entry is ,6GBC,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MOO:A:507,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,6ETH,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ACE:A:508,invalid,,,,,CC=O,
,,,ACE:A:507,invalid,,,,,CC=O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,WO4:A:503,invalid,,,,,[O-][W](=O)(=O)[O-],
,,6ETF,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,MOO:A:503,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,6RMS,,,,,,,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:505,invalid,,,,,[Mg+2],
,,6GAX,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MOO:A:506,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,6ETD,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ACE:A:508,invalid,,,,,CC=O,
,,,ACE:A:507,invalid,,,,,CC=O,
,,,ACE:A:509,invalid,,,,,CC=O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6GB4,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MOO:A:505,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,6GB0,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,6GBF,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,6GB9,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
3.2.1.151,,,,,,,,,
,Family. Representative Entry is ,4W88,,,,,,,
,,,TRS:B:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:507,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:A:508,invalid,,,,,[Mg+2],
,,,BGC BGC BGC XYS XYS GAL:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC XYS GAL:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(O)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,4W89,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,4W87,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,BGC BGC BGC XYS:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC XYS:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)CO1,
,,4W85,,,,,,,
,,,BGC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2JEQ,,,,,,,
,,,BGC BGC BGC XYS BGC XYS GAL:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,Family. Representative Entry is ,5OYE,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,BGC BGC BGC XYS BGC XYS:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS GAL:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,6HA9,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,1PE:B:513,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NFG BGC BGC XYS BGC XYS:C:1,valid,,,,,FC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)OC1Oc1c(N(O)O)cc(N(O)O)cc1,
,,,NFG BGC BGC XYS BGC XYS XYS:D:1,valid,,,,,FC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(COC5C(O)C(O)C(O)CO5)O4)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(CO)OC1Oc1c(N(O)O)cc(N(O)O)cc1,
,Family. Representative Entry is ,3ZMR,,,,,,,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,EDO:B:1509,invalid,,,,,C(CO)O,
,,,EDO:B:1505,invalid,,,,,C(CO)O,
,,,EDO:B:1510,invalid,,,,,C(CO)O,
,,,EDO:A:1600,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,EDO:A:1514,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,EDO:B:1504,invalid,,,,,C(CO)O,
,,,EDO:A:1513,invalid,,,,,C(CO)O,
,,,EDO:B:1507,invalid,,,,,C(CO)O,
,,,EDO:B:1508,invalid,,,,,C(CO)O,
,,,EDO:B:1506,invalid,,,,,C(CO)O,
,,,EDO:A:1515,invalid,,,,,C(CO)O,
,,,GLO BGC BGC XYS BGC XYS XYS:D:1,valid,,,,,O=CC(O)C(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(COC4C(O)C(O)C(O)CO4)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(COC2C(O)C(O)C(O)CO2)O1)C(O)CO,
,,,BTB:A:1511,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BGC BGC GLC BGC XYS BGC XYS XYS:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)COC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,2CN3,,,,,,,
,,,CA:A:1778,Part of Protein,,,,,[Ca+2],
,,,CA:B:1777,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC XYS BGC XYS XYS GAL:F:1,valid,,,,,,
,,,GLC BGC BGC XYS BGC XYS XYS GAL:E:1,valid,,,,,,
,,,GLC BGC BGC XYS BGC XYS XYS GAL:C:1,valid,,,,,,
,,,GLC BGC BGC XYS BGC XYS XYS GAL GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,2VH9,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC XYS GAL BGC XYS GAL XYS:C:1,valid,,,,,,
,,,BGC BGC BGC XYS GAL BGC XYS GAL XYS:F:1,valid,,,,,,
1.8.3.7,,,,,,,,,
,Family. Representative Entry is ,6MUJ,,,,,,,
,,,CU:E:404,Part of Protein,,,,,[Cu+2],
,,,CU:A:504,Part of Protein,,,,,[Cu+2],
,,,CU:E:403,Part of Protein,,,,,[Cu+2],
,,,CU:C:503,Part of Protein,,,,,[Cu+2],
,,,CU:A:503,Part of Protein,,,,,[Cu+2],
,,,CU:D:406,Part of Protein,,,,,[Cu+2],
,,,CU:C:504,Part of Protein,,,,,[Cu+2],
,,,CU:A:505,Part of Protein,,,,,[Cu+2],
,,,CU:C:505,Part of Protein,,,,,[Cu+2],
,,,CU:E:405,Part of Protein,,,,,[Cu+2],
,,,CU:B:503,Part of Protein,,,,,[Cu+2],
,,,CU:D:407,Part of Protein,,,,,[Cu+2],
,,,CU:D:405,Part of Protein,,,,,[Cu+2],
,,,CU:B:505,Part of Protein,,,,,[Cu+2],
,,,CU:D:404,Part of Protein,,,,,[Cu+2],
,,,CU:C:506,Part of Protein,,,,,[Cu+2],
,,,CU:D:408,Part of Protein,,,,,[Cu+2],
,,,CU:B:504,Part of Protein,,,,,[Cu+2],
,,,CU:E:402,Part of Protein,,,,,[Cu+2],
,,,CU:A:502,Part of Protein,,,,,[Cu+2],
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,IMD:D:410,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:E:406,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:501,invalid,,,,,c1c[nH+]c[nH]1,
,,,DTT:D:409,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,FMT:C:507,invalid,,,,,C(=O)O,
,,,GLY:D:401,valid,,,,,C(C(=O)O)N,
3.6.3.-,,,,,,,,,
,Family. Representative Entry is ,6B8B,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ADP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CZJ:A:302,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)C34CC5CC(C3)CC(C5)C4)O[C@H]6[C@@H]([C@@H]([C@H](C(O6)(C)C)OC)OC(=O)N)O,
,,6MBN,,,,,,,
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4QC2,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,4P33,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4P32,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4P31,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6B89,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,NOV:A:403,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,NOV:B:403,valid,,,,,Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)N)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3A1C,,,,,,,
,,,ACP:B:997,valid,Kd,~,0.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:997,valid,Kd,~,0.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:998,invalid,,,,,[Mg+2],
,,3A1D,,,,,,,
,,,ADP:A:997,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:997,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:998,invalid,,,,,[Mg+2],
,,,MG:B:998,invalid,,,,,[Mg+2],
,,3A1E,,,,,,,
,,,ACP:A:997,valid,Kd,~,2.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:997,valid,Kd,~,2.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
3.2.1.2,,,,,,,,,
,Family. Representative Entry is ,1Q6D,,,,,,,
,,,GLC GLC:B:1,valid,Kd,=,0.46,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,,1BTC,,,,,,,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,,BME:A:503,invalid,,,,,C(CS)O,
,,,BME:A:504,invalid,,,,,C(CS)O,
,,,BME:A:505,invalid,,,,,C(CS)O,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1WDS,,,,,,,
,,,GLC:A:499,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:B:1,valid,,,,,,
,,1BYC,,,,,,,
,,,SO4:A:860,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1V3H,,,,,,,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BYD,,,,,,,
,,,SO4:A:860,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RR7 GLC:B:1,valid,,,,,O(C1C(CO)OC(O)CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,RR7 GLC:C:1,valid,,,,,O(C1C(CO)OC(O)CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,1Q6E,,,,,,,
,,,GLC GLC:B:1,valid,Kd,=,2.4,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,Kd,=,2.4,mM,,
,,1BFN,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Ki,=,1.64,mM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1WDQ,,,,,,,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,Kd,=,10.45,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,Kd,=,10.45,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1BYB,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,SO4:A:860,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1WDR,,,,,,,
,,,GLC:A:499,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC GLC:B:1,valid,Kd,=,3.05,mM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1Q6C,,,,,,,
,,,GLC GLC:B:1,valid,Kd,=,5.1,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,Kd,=,5.1,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V3I,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,,1Q6F,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC:B:1,valid,,,,,,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,,1Q6G,,,,,,,
,,,GLC GLC:B:1,valid,Kd,=,8.8,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,2XG9,,,,,,,
,,,EDO:A:1492,invalid,,,,,C(CO)O,
,,,EDO:A:1493,invalid,,,,,C(CO)O,
,,,EDO:A:1494,invalid,,,,,C(CO)O,
,,,NOJ GLC:A:1490,valid,Ki,=,70,uM,O(C1C(O)C(O)C[NH2+]C1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2XFF,,,,,,,
,,,EDO:A:1490,invalid,,,,,C(CO)O,
,,,EDO:A:1491,invalid,,,,,C(CO)O,
,,,BGC GLC AC1:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,2XGI,,,,,,,
,,,EBQ:A:1501,valid,,,,,C[C@@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,
,,,EDO:A:1490,invalid,,,,,C(CO)O,
,,,EDO:A:1491,invalid,,,,,C(CO)O,
,,,J5B:A:1500,valid,,,,,C[C@H](CCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O,
,,2XFY,,,,,,,
,,,EDO:A:1490,invalid,,,,,C(CO)O,
,,,EDO:A:1491,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1B1Y,,,,,,,
,,,BGC:A:552,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC GLC:B:1,valid,,,,,,
,Family. Representative Entry is ,1FA2,,,,,,,
,,,DTT:A:1409,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,RR7 GLC:B:1,valid,,,,,O(C1C(CO)OC(O)CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,5WQU,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,1VEM,,,,,,,
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1VEN,,,,,,,
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,GLC:A:900,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:903,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1J18,,,,,,,
,,,ACY:A:1502,invalid,,,,,CC(=O)O,
,,,CA:A:1500,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,,,BGC GLC:D:1,valid,,,,,,
,,1ITC,,,,,,,
,,,ACY:A:1502,invalid,,,,,CC(=O)O,
,,,CA:A:1500,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VEP,,,,,,,
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC:B:1,valid,,,,,,
,,1B9Z,,,,,,,
,,,ACT:A:920,invalid,,,,,CC(=O)[O-],
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,SO4:A:921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1J0Z,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:701,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC:F:1,valid,,,,,,
,,,BGC GLC:H:1,valid,,,,,,
,,,BGC GLC:L:1,valid,,,,,,
,,,BGC GLC:E:1,valid,,,,,,
,,,BGC GLC:G:1,valid,,,,,,
,,,BGC GLC:J:1,valid,,,,,,
,,1J10,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:701,Part of Protein,,,,,[Ca+2],
,,,XYS GLC GLC:I:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)CO1,
,,,XYP GLC GLC:H:1,valid,,,,,,
,,,XYP GLC GLC:L:1,valid,,,,,,
,,,XYP GLC GLC:G:1,valid,,,,,,
,,,XYP GLC GLC:K:1,valid,,,,,,
,,,XYP GLC GLC:J:1,valid,,,,,,
,,,XYP GLC GLC:F:1,valid,,,,,,
,,,XYP GLC GLC:E:1,valid,,,,,,
,,1J0Y,,,,,,,
,,,BGC:A:1601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:3601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:4601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:701,Part of Protein,,,,,[Ca+2],
,,1VEO,,,,,,,
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,GLC:A:903,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC:B:1,valid,,,,,,
1.6.5.-,,,,,,,,,
,Family. Representative Entry is ,4U9U,,,,,,,
,,,ACT:B:1502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1502,invalid,,,,,CC(=O)[O-],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,MG:A:1503,Part of Protein,,,,,[Mg+2],
,,,NA:B:1504,Part of Protein,,,,,[Na+],
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,FAD:A:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.3.1.50,,,,,,,,,
,Family. Representative Entry is ,2XBN,,,,,,,
,,,MG:A:1421,invalid,,,,,[Mg+2],
,,,PMP:A:1420,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,4BMK,,,,,,,
,,,PLP MYB:A:1421,valid,,,,,P(=O)(OCc1c(C=NC(C(O)C(O)CCCCC)CO)c(O)c(C)nc1)([O-])[O-],
,,,PLP MYB:B:1421,valid,,,,,P(=O)(OCc1c(C=NC(C(O)C(O)CCCCC)CO)c(O)c(C)nc1)([O-])[O-],
,,,GOL:A:1423,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1424,invalid,,,,,C(C(CO)O)O,
,,2W8W,,,,,,,
,,,PLS:A:1420,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,2W8J,,,,,,,
,,,PLS:A:1420,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,Family. Representative Entry is ,3A2B,,,,,,,
,,,SER PLP:A:401,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
6.3.1.11,,,,,,,,,
,Family. Representative Entry is ,4HPP,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GLU:A:503,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
3.2.1.140,,,,,,,,,
,Family. Representative Entry is ,4JAW,,,,,,,
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAL NGT:A:701,valid,Ki,=,125,nM,,
,,,NGT GAL:B:702,valid,Ki,=,125,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)OC2SC(C)=NC12,
,,5BXT,,,,,,,
,,,4WS GAL:A:704,valid,Ki,=,52,uM,O(C1C(C[NH2+]C(O)C)[NH+]2C(C1O)C(O)CC2)C1C(O)C(O)C(O)C(CO)O1,
,,,4WS GAL:B:703,valid,Ki,=,52,uM,O(C1C(C[NH2+]C(O)C)[NH+]2C(C1O)C(O)CC2)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5BXR,,,,,,,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NOK GAL:A:702,valid,Ki,=,0.88,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)[NH2+]C1)C,
,,,GAL NOK:B:701,valid,Ki,=,0.88,uM,,
,,5BXS,,,,,,,
,,,GAL GC2:B:701,valid,Ki,=,0.52,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C2C(O)CC[NH+]2C1)C,
,,,GAL GC2:A:701,valid,Ki,=,0.52,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C2C(O)CC[NH+]2C1)C,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5BXP,,,,,,,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LOG GAL:C:1,valid,Ki,=,7.7,uM,O=C(NC1C(=NO)OC(CO)C(O)C1OC1C(O)C(O)C(O)C(CO)O1)C,
,,,LOG GAL:D:1,valid,Ki,=,7.7,uM,O=C(NC1C(=NO)OC(CO)C(O)C1OC1C(O)C(O)C(O)C(CO)O1)C,
,,4H04,,,,,,,
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5GQF,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,invalid,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,invalid,,,,,[Ca+2],
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
6.1.1.7,,,,,,,,,
,Family. Representative Entry is ,2ZTG,,,,,,,
,,,A5A:A:801,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3HXU,,,,,,,
,,,A5A:A:442,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,BME:A:445,invalid,,,,,C(CS)O,
,,,BME:A:446,invalid,,,,,C(CS)O,
,,,EPE:A:444,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HED:A:443,invalid,,,,,C(CSSCCO)O,
,,3HXX,,,,,,,
,,,ACP:A:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:443,Part of Protein,,,,,[Mg+2],
,,,MG:A:444,Part of Protein,,,,,[Mg+2],
,,,MG:A:445,Part of Protein,,,,,[Mg+2],
,,3HXW,,,,,,,
,,,EPE:A:443,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HED:A:444,invalid,,,,,C(CSSCCO)O,
,,,HED:A:445,invalid,,,,,C(CSSCCO)O,
,,,HED:A:446,invalid,,,,,C(CSSCCO)O,
,,,SSA:A:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)N,
,,3HXZ,,,,,,,
,,,A5A:A:442,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,A5A:B:442,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,A5A:C:442,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,A5A:D:442,valid,,,,,C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,EPE:A:443,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:444,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:443,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:444,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HED:A:445,invalid,,,,,C(CSSCCO)O,
,,,HED:A:446,invalid,,,,,C(CSSCCO)O,
,,,HED:B:445,invalid,,,,,C(CSSCCO)O,
,,,HED:B:446,invalid,,,,,C(CSSCCO)O,
,,,HED:C:443,invalid,,,,,C(CSSCCO)O,
,,,HED:C:444,invalid,,,,,C(CSSCCO)O,
,,,HED:D:443,invalid,,,,,C(CSSCCO)O,
,,,HED:D:444,invalid,,,,,C(CSSCCO)O,
,,3HXV,,,,,,,
,,,BME:A:445,invalid,,,,,C(CS)O,
,,,EPE:A:442,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,G5A:A:444,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,HED:A:443,invalid,,,,,C(CSSCCO)O,
,,,HED:A:446,invalid,,,,,C(CSSCCO)O,
,,,HED:A:447,invalid,,,,,C(CSSCCO)O,
,,3HXY,,,,,,,
,,,5AL:A:442,valid,,,,,C[C@@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,ACP:A:444,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,BME:A:450,invalid,,,,,C(CS)O,
,,,HED:A:449,invalid,,,,,C(CSSCCO)O,
,,,MDN:A:443,invalid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:445,Part of Protein,,,,,[Mg+2],
,,,MG:A:446,Part of Protein,,,,,[Mg+2],
,,,MG:A:447,Part of Protein,,,,,[Mg+2],
,,,MG:A:448,Part of Protein,,,,,[Mg+2],
,,3HY0,,,,,,,
,,,EPE:A:443,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:443,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,G5A:A:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,G5A:B:442,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,HED:A:444,invalid,,,,,C(CSSCCO)O,
,,,HED:A:445,invalid,,,,,C(CSSCCO)O,
,,,HED:B:444,invalid,,,,,C(CSSCCO)O,
,,,HED:B:445,invalid,,,,,C(CSSCCO)O,
,Family. Representative Entry is ,5V59,,,,,,,
,,,8X1:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCN4)O)O)N,
,Family. Representative Entry is ,1YFS,,,,,,,
,,,ALA:A:1500,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:2500,valid,,,,,C[C@@H](C(=O)O)N,
,,1YGB,,,,,,,
,,,SER:A:501,valid,,,,,C([C@@H](C(=O)O)N)O,
,,1YFT,,,,,,,
,,,GLY:A:500,valid,,,,,C(C(=O)O)N,
1.14.13.114,,,,,,,,,
,Family. Representative Entry is ,5EOW,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.5.2.5,,,,,,,,,
,Family. Representative Entry is ,3CL7,,,,,,,
,,,HYN:A:401,valid,,,,,C1C(=O)NC(=O)N1,
,,,HYN:B:401,valid,,,,,C1C(=O)NC(=O)N1,
,,3CL8,,,,,,,
,,,5AC:A:309,valid,,,,,c1[nH]c(c(n1)C(=O)N)N,
,,,5AC:B:309,valid,,,,,c1[nH]c(c(n1)C(=O)N)N,
1.1.1.214,,,,,,,,,
,Family. Representative Entry is ,4H8N,,,,,,,
,,,NDP:B:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
5.1.99.4,,,,,,,,,
,Family. Representative Entry is ,2GCE,,,,,,,
,,,RFC:A:2751,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,RFC:B:2752,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,RFC:C:2753,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,RFC:D:2754,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,SFC:A:1751,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,SFC:B:1752,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,SFC:C:1753,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,,SFC:D:1754,valid,Kd,=,24.5,uM,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O,
,,2YIM,,,,,,,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1362,invalid,,,,,C(C(CO)O)O,
,,,MC4:A:1363,valid,Kd,=,120,uM,C/C(=C([O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C,
,,,MC4:B:1363,valid,Kd,=,120,uM,C/C(=C([O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C,
,,,MC4:C:1363,valid,Kd,=,120,uM,C/C(=C([O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C,
,,,MC4:D:1363,valid,Kd,=,120,uM,C/C(=C([O-])/SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)/C(=O)C,
,,,PO4:B:1361,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1361,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2GD6,,,,,,,
,,,ACO:A:751,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:752,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:753,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:754,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1302,invalid,,,,,C(C(CO)O)O,
,,2GCI,,,,,,,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1303,invalid,,,,,C(C(CO)O)O,
,,,MRR:A:1751,valid,,,,,CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRR:B:1752,valid,,,,,CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRR:C:1753,valid,,,,,CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRR:D:1754,valid,,,,,CCCCCCCCCCCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2GD0,,,,,,,
,,,GOL:A:2306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2303,invalid,,,,,C(C(CO)O)O,
,,,MRS:A:1751,valid,,,,,CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRS:B:1752,valid,,,,,CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRS:C:1753,valid,,,,,CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MRS:D:1754,valid,,,,,CCCCCCCCCCCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2GD2,,,,,,,
,,,CAA:A:1751,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:1752,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:1753,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:1754,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:B:2308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2307,invalid,,,,,C(C(CO)O)O,
3.5.1.77,,,,,,,,,
,Family. Representative Entry is ,1UF5,,,,,,,
,,,CDT:A:998,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)N,
,,,CDT:B:999,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)N,
,,,EDO:A:1000,invalid,,,,,C(CO)O,
,,1UF7,,,,,,,
,,,CDV:B:998,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)N,
,,,CDV:B:999,valid,,,,,CC(C)[C@H](C(=O)O)NC(=O)N,
,,1UF8,,,,,,,
,,,ING:A:999,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
,,,ING:B:1999,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
2.7.11.1,,,,,,,,,
,Family. Representative Entry is ,3E5A,,,,,,,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VX6:A:500,valid,Ki,=,5.9,nM,Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C,
,,1OL5,,,,,,,
,,,ADP:A:1388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1389,Part of Protein,,,,,[Mg+2],
,,,MG:A:1390,Part of Protein,,,,,[Mg+2],
,,,MG:A:1394,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HA6,,,,,,,
,,,2JZ:A:1,valid,ic50,=,2.1,uM,COc1ccc(cc1OC)Nc2nc(nc(n2)Nc3ccc4c(c3)cccn4)NCCc5ccccc5F,
,Family. Representative Entry is ,6HHP,,,,,,,
,,,G4Z:A:304,invalid,,,,,CC(C)([C@H](N(C)CCS)O)Oc1ccc(cc1)Cl,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,Kd,=,32,nM,,
,,6Y3W,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2 O85:B:175,valid,,,,,,
,,6HKB,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,,
,,,G8Q:A:304,invalid,,,,,CC(C)(C)O[C@H](N(C)[C@@H](c1ccccc1)[C@H](NCCS)O)O,
,,6FI5,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,THR PRO SEP LEU PRO DAL 60H:B:3,valid,Kd,=,3,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(c3ccccc3)c3ccccc3)CCC2)C)CCC1)CC(C)C)([O-])[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5BTV,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,CA:A:302,invalid,,,,,[Ca+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GLY SEP LEU GLY:P:323,valid,Kd,=,140,uM,P(=O)(OCC(NC(=O)C[NH3+])C(=O)NC(C(=O)NCC=O)CC(C)C)([O-])[O-],
,,6W0L,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,ALA ARG VAL SER MET ARG ARG MET SEP ASN:P:384,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(=O)NC(C(=O)NC(C=O)CC(=O)N)COP(=O)([O-])[O-])C,
,,6XWD,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,CA:A:303,invalid,,,,,[Ca+2],
,,,ASN LYS ASN ALA ASN SEP SER PRO VAL:P:39,valid,Kd,=,2.18,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(=O)N)C)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])C(C)C)CCC1)CO)([O-])[O-],
,,4Y32,,,,,,,
,,,ARG THR PRO SEP LEU PRO THR 49F:C:211,valid,ic50,=,90.1,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C(O)C)CCC1)CC(C)C)([O-])[O-].O(CCC1[NH2+]CCC1)C,
,,,ARG THR PRO SEP LEU PRO THR:D:212,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,4Y5I,,,,,,,
,,,ACE ARG THR PRO SEP LEU PRO THR PIP:F:1,valid,ic50,=,301.3,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2CCCCC2)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,,ACE ARG THR PRO SEP LEU PRO THR PIP:G:3,valid,ic50,=,301.3,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2CCCCC2)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,6FBB,,,,,,,
,,,SER ARG SEP SER PRO:P:1240,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)C(=O)NC(C(=O)N1C(C=O)CCC1)CO)([O-])[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,5N5W,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,8OE:A:307,valid,,,,,c1cc(ccc1N)Oc2c(cc(cn2)Cl)Cl,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ARG SER HIS SEP SER PRO ALA SER LEU GLN:P:86,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)CO)C)CCC1)CO)([O-])[O-],
,,6FBY,,,,,,,
,,,ACE ARG THR PRO SEP LEU PRO GLY D4H:B:1,valid,Kd,=,9.3,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3cc(C)ccc3)c3ccccc3)CCC2)CCC1)CC(C)C)([O-])[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,THR PRO SEP LEU PRO GLY D4H:D:3,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3cc(C)ccc3)c3ccccc3)CC=C2)CCC1)CC(C)C)([O-])[O-],
,,6Y3M,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GLN SER TYR TPO VAL:P:389,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CO)Cc1ccc(O)cc1)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,4DHS,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,Y03:A:307,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,6Y3S,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ASN ALA ARG SER ALA SEP PHE SER GLN GLY:P:205,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CO)C)C(=O)NC(C=O)Cc1ccccc1)([O-])[O-],
,,6GHP,,,,,,,
,,,EZ5:A:301,valid,,,,,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)O)O)[C@H](C)CNC(=O)C)O)C)COC,
,,,ACE LYS ARG ARG LYS SEP VAL:P:370,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C)([O-])[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,4DHO,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,Y09:A:308,valid,,,,,COc1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O,
,,6Y8A,,,,,,,
,,,ARG SER LEU SEP ALA PRO GLY ASN:P:508,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CO)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NCC=O)CCC1)C)([O-])[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,6Y8E,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,ARG SER PHE SEP GLU PRO PHE GLY:P:29,valid,,,,,,
,,3IQV,,,,,,,
,,,CL:A:233,invalid,,,,,[Cl-],
,,,CL:A:234,invalid,,,,,[Cl-],
,,,FSC:A:232,valid,Kd,=,6.6,uM,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC,
,,,GLN ARG SER THR SEP THR:P:255,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CCCNC(=[NH2+])N)CO)C(O)C)C(=O)NC(C(=O)[O-])C(O)C)([O-])[O-],
,,,MG:A:235,Part of Protein,,,,,[Mg+2],
,,,MG:A:236,Part of Protein,,,,,[Mg+2],
,,,MG:A:237,Part of Protein,,,,,[Mg+2],
,,,MG:A:238,Part of Protein,,,,,[Mg+2],
,,4IEA,,,,,,,
,,,ARG SER ALA SEP GLU PRO SER LEU:P:618,valid,Kd,=,346,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CO)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CC(C)C)CO)CCC1)CCC(=O)[O-])([O-])[O-],
,,6HN2,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,,
,,,GF8:A:303,invalid,,,,,c1cc(c(cc1CC(=O)NCCS)Cl)Cl,
,,6Y58,,,,,,,
,,,VAL TYR ARG SER LEU SEP PHE GLU:P:316,valid,Kd,=,15.8,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CO)CC(C)C)C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])Cc1ccccc1)([O-])[O-],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6FAW,,,,,,,
,,,THR PRO SEP LEU PRO GLY D3K:D:3,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3c(OCCOC)cccc3)c3ccccc3)CC=C2)CCC1)CC(C)C)([O-])[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,ACE ARG THR PRO SEP LEU PRO GLY D3K:B:1,valid,Kd,=,2.7,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3c(OCCOC)cccc3)c3ccccc3)CCC2)CCC1)CC(C)C)([O-])[O-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5N75,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,ARG SER HIS SEP SER PRO ALA SER LEU GLN:P:86,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)CO)C)CCC1)CO)([O-])[O-],
,,4DHN,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,0KC:A:307,valid,,,,,c1ccc(c(c1)OCC(=O)NC2CCCC2)P(=O)(O)O,
,,3MHR,,,,,,,
,,,ARG ALA HIS SEP SER PRO ALA SER LEU GLN:P:124,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)CC(C)C)CO)C)CCC1)CO)([O-])[O-],
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CL:A:235,invalid,,,,,[Cl-],
,,,CL:A:236,invalid,,,,,[Cl-],
,,,CL:A:237,invalid,,,,,[Cl-],
,,,CL:A:238,invalid,,,,,[Cl-],
,,,GOL:A:241,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:242,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:243,invalid,,,,,C(C(CO)O)O,
,,,MG:A:232,Part of Protein,,,,,[Mg+2],
,,,MG:A:233,Part of Protein,,,,,[Mg+2],
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:240,Part of Protein,,,,,[Mg+2],
,,4DHP,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,Y07:A:309,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O,
,,3LW1,,,,,,,
,,,CL:A:252,invalid,,,,,[Cl-],
,,,GOL:A:253,invalid,,,,,C(C(CO)O)O,
,,,MG:A:249,Part of Protein,,,,,[Mg+2],
,,,MG:A:250,Part of Protein,,,,,[Mg+2],
,,,MG:A:251,Part of Protein,,,,,[Mg+2],
,,,PHE LYS TPO GLU GLY PRO ASP SER ASP:P:385,valid,Kd,=,16.3,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CCCC[NH3+])C(=O)NC(C(=O)NCC(=O)N1C(C(=O)NC(C=O)CC(=O)[O-])CCC1)CCC(=O)[O-])C)([O-])[O-],
,,3SP5,,,,,,,
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:233,Part of Protein,,,,,[Mg+2],
,,,LYS ARG ARG LYS SEP VAL:P:369,valid,Kd,=,0.56,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C)([O-])[O-],
,,,CX7:A:232,valid,,,,,C[C@@H]1[C@@H]2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O)C(C)C)C)(COC)O,
,,4DHU,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,0KH:A:309,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cccc(c2Cl)Cl)P(=O)(O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,6HMT,,,,,,,
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,Kd,=,92,nM,,
,,,GEH:A:302,invalid,,,,,CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6Y1D,,,,,,,
,,,LYS ARG ARG ARG LYS SEP CYS GLN ALA NH2:B:175,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])COP(=O)([O-])[O-])C(=O)NC(C(=O)NC(C(=O)[NH3+])C)CCC(=O)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6XY5,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,LYS ARG ARG ARG LYS SEP CYS GLN ALA O4E:B:175,valid,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,3O8I,,,,,,,
,,,GLN ARG SER THR SEP THR PRO ASN VAL HIS:B:256,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)C(O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(=O)N)CCC1)C(O)C)([O-])[O-],
,,,M1T:A:232,valid,,,,,COCC(=O)CCCC(O)O,
,,6Y18,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,LYS ARG ARG ARG LYS SEP CYS GLN ALA O68:B:175,valid,,,,,,
,,6TJM,,,,,,,
,,,ACE ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C1N(C(=O)C(N)Cc2ccccc2)CCC1)C)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,NE5:A:302,valid,,,,,c1ccc(cc1)C(=O)C2=C(C(=O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O,
,,5OEH,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,9SZ:A:301,valid,,,,,c1ccc2c(c1)[C@H]3C[C@@H]2c4c3cc5c(c4)[C@@H]6C[C@H]5c7c6c(c8c(c7OP(=O)(O)O)[C@H]9C[C@@H]8c1c9cc2c(c1)[C@@H]1C[C@H]2c2c1cccc2)OP(=O)(O)O,
,,4DHT,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,0KG:A:306,valid,,,,,c1ccc(c(c1)OCC(=O)NC2CCCCC2)P(=O)(O)O,
,,6HKF,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,,
,,,G8T:A:304,invalid,,,,,CC(c1ccccc1)(c2ccccc2)[C@@H](NCCS)O,
,,6Y3O,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ARG LYS LEU SEP LEU GLN GLU ARG:P:98,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)([O-])[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6Y8D,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,VAL GLU HIS SEP LEU ASP ASN LYS:B:301,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])Cc1nc[nH]c1)C(=O)NC(C=O)CC(C)C)([O-])[O-],
,,5LU1,,,,,,,
,,,ARG ARG ALA SEP ALA PRO LEU PRO:C:13,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CCC1)C)([O-])[O-],
,,,ARG ARG ALA SEP ALA PRO LEU PRO:G:13,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CCC1)C)([O-])[O-],
,,,ARG ARG ALA SEP ALA PRO LEU PRO:H:13,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CCC1)C)([O-])[O-],
,,,ARG ARG ALA SEP ALA PRO LEU PRO:D:13,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CCC1)C)([O-])[O-],
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3IQJ,,,,,,,
,,,CL:A:263,invalid,,,,,[Cl-],
,,,GLN ARG SER THR SEP THR PRO ASN VAL HIS:P:255,valid,Kd,=,7.5,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)C(O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(=O)N)CCC1)C(O)C)([O-])[O-],
,,,MG:A:264,Part of Protein,,,,,[Mg+2],
,,,MG:A:265,Part of Protein,,,,,[Mg+2],
,,,MG:A:266,Part of Protein,,,,,[Mg+2],
,,4FR3,,,,,,,
,,,THR:A:231,invalid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,LYS ARG ARG LYS SEP VAL:P:-3,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])C(=O)NC(C(=O)[O-])C(C)C)([O-])[O-],
,,,0V4:A:301,valid,Kd,=,0.07,uM,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC,
,,5HF3,,,,,,,
,,,ACE ARG THR PRO SEP LEU PRO THR 60H:B:1,valid,Kd,=,13.4,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(c3ccccc3)c3ccccc3)CCC2)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,5N5R,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,NV1:A:305,valid,,,,,Cc1cccc(c1N(C(C)C)C(=O)CN)C,
,,,SER HIS SEP SER PRO ALA SER LEU GLN:P:87,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)CO)C)CCC1)CO)([O-])[O-],
,,4DHM,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,0KB:A:308,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(F)(F)F)P(=O)(O)O,
,,4DAT,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,SER SER PHE TYR PRO SEP ALA GLU GLY:B:443,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(N)Cc2ccccc2)Cc2ccc(O)cc2)CCC1)C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])C)([O-])[O-],
,,6Y8B,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,TYR ASP LEU SEP LEU PRO PHE PRO:P:136,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CC(=O)[O-])CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)Cc2ccccc2)CCC1)CC(C)C)([O-])[O-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,6FI4,,,,,,,
,,,PRO SEP LEU PRO DVA 60H:B:4,valid,Kd,=,2.2,uM,P(=O)(OCC(NC(=O)C1[NH2+]CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(c3ccccc3)c3ccccc3)CCC2)C(C)C)CCC1)CC(C)C)([O-])[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3IQU,,,,,,,
,,,CL:A:232,invalid,,,,,[Cl-],
,,,GLN ARG SER THR SEP THR:P:255,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CCCNC(=[NH2+])N)CO)C(O)C)C(=O)NC(C(=O)[O-])C(O)C)([O-])[O-],
,,,MG:A:233,Part of Protein,,,,,[Mg+2],
,,,MG:A:234,Part of Protein,,,,,[Mg+2],
,,,MG:A:235,Part of Protein,,,,,[Mg+2],
,,4DHQ,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,Y06:A:309,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O,
,,4DHR,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,Y04:A:309,valid,,,,,c1ccc(c(c1)NC(=O)COc2ccccc2P(=O)(O)O)Cl,
,,4Y3B,,,,,,,
,,,ARG THR PRO SEP LEU PRO THR:C:211,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,,ARG THR PRO SEP LEU PRO THR:D:212,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C(O)C)CCC1)CC(C)C)([O-])[O-],
,,,49F:C:301,valid,ic50,=,90.1,uM,COCC[C@@H]1CCCN1,
,,5N5T,,,,,,,
,,,8OB:A:304,valid,,,,,c1cc(ccc1O)Oc2c(cc(cn2)Cl)Cl,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,SER HIS SEP SER PRO ALA SER LEU:P:87,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C([NH3+])CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CO)C)CCC1)CO)([O-])[O-],
,,6HMU,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,,
,,,GE8:A:303,invalid,,,,,CC(C)(C(=O)NCCCS)Oc1ccc(cc1)Cl,
,,6XXC,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,LYS ARG ARG ARG LYS SEP CYS GLN ALA O3W:B:175,valid,,,,,,
,,6FBW,,,,,,,
,,,NA:A:302,invalid,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,ARG THR PRO SEP LEU PRO GLY D4K:D:3,valid,Kd,=,16.5,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3cc(OC)ccc3)c3ccccc3)CCC2)CCC1)CC(C)C)([O-])[O-],
,,,ARG THR PRO SEP LEU PRO GLY D4K:B:2,valid,Kd,=,16.5,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3cc(OC)ccc3)c3ccccc3)CCC2)CCC1)CC(C)C)([O-])[O-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,6FAV,,,,,,,
,,,ACE ARG THR PRO SEP LEU PRO GLY D3Q:B:1,valid,Kd,=,4.7,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)[N+]=2C(C(c3cc(OC)ccc3)c3ccccc3)CCC=2)CCC1)CC(C)C)([O-])[O-],
,,,NA:C:304,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:C:303,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,THR PRO SEP LEU PRO GLY D3Q:D:3,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)[N+]=2C(C(c3cc(OC)ccc3)C3=CCC=CC3)CCC=2)CCC1)CC(C)C)([O-])[O-],
,,5MXO,,,,,,,
,,,FSC:A:301,valid,,,,,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C)O)[C@H](C)COC(=O)C)O)C)COC,
,,,PHE LYS TPO:P:385,invalid,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,CL:A:302,invalid,,,,,[Cl-],
,,6TL3,,,,,,,
,,,ACE ALA GLU GLY PHE PRO ALA TPO VAL:B:591,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C1N(C(=O)C(N)Cc2ccccc2)CCC1)C)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,,,NJW:A:301,valid,,,,,c1ccc(cc1)/C(=C/2[C@H](N(C(=O)C2=O)c3ccc(c(c3)C(=O)O)O)c4ccc(cc4)[N+](=O)[O-])/N,
,,6FAU,,,,,,,
,,,THR PRO SEP LEU PRO GLY D3W:D:3,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3c(OC)cccc3)c3ccccc3)CC=C2)CCC1)CC(C)C)([O-])[O-],
,,,NA:C:304,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:C:303,invalid,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,ACE ARG THR PRO SEP LEU PRO GLY D3W:B:1,valid,Kd,=,3.6,uM,P(=O)(OCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)C(O)C)CCC1)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)N2C(C(c3c(OC)cccc3)c3ccccc3)CCC2)CCC1)CC(C)C)([O-])[O-],
,Family. Representative Entry is ,6CQF,,,,,,,
,,,F97:A:301,valid,ic50,=,0.0045,uM,CC(C)n1c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[C@@H]5CCNC5,
,,6NFY,,,,,,,
,,,B49:B:9000,valid,Kd,=,16,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,B49:A:9000,valid,Kd,=,16,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,6CQD,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6NG0,,,,,,,
,,,B49:B:9000,valid,Ki,=,10,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,B49:A:9000,valid,Ki,=,10,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,Family. Representative Entry is ,6NW2,,,,,,,
,,,L4Y:A:301,valid,Ki,=,0.016,uM,C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1,
,,,L4Y:B:301,valid,Ki,=,0.016,uM,C[C@@H]1CCc2c(c([nH]n2)C(=O)N[C@H]3COc4ccccc4N(C3=O)C)C1,
,,5HX6,,,,,,,
,,,65U:A:301,valid,,,,,CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4,
,,,65U:B:301,valid,,,,,CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4,
,,4ITH,,,,,,,
,,,IOD:B:304,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:A:301,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:B:305,invalid,,,,,[I-],
,,,IOD:B:303,invalid,,,,,[I-],
,,,IOD:B:301,invalid,,,,,[I-],
,,,NA:B:306,invalid,,,,,[Na+],
,,,NA:A:306,invalid,,,,,[Na+],
,,,RCM:B:307,valid,ic50,=,0.3169,uM,CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl,
,,,RCM:A:307,valid,ic50,=,0.3169,uM,CN1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl,
,,6NYH,,,,,,,
,,,L8D:B:301,valid,Ki,=,21,nM,CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC,
,,,L8D:A:301,valid,Ki,=,21,nM,CN1c2cnc(cc2CC[C@@H](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5ccccc5)OC,
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:B:304,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:B:303,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,4ITJ,,,,,,,
,,,IOD:B:304,invalid,,,,,[I-],
,,,IOD:A:306,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:B:305,invalid,,,,,[I-],
,,,IOD:B:303,invalid,,,,,[I-],
,,,1HX:B:301,valid,ic50,=,0.3772,uM,C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N,
,,,1HX:A:301,valid,ic50,=,0.3772,uM,C[C@@H](c1c(cccc1Cl)F)NC(=O)c2ccc(n2C)C#N,
,Family. Representative Entry is ,3TKI,,,,,,,
,,,S25:A:325,valid,ic50,=,0.05,nM,c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(=O)NCCN,
,,,SO4:A:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YM8,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,EDO:A:1278,invalid,,,,,C(CO)O,
,,,EDO:A:1279,invalid,,,,,C(CO)O,
,,,EDO:A:1280,invalid,,,,,C(CO)O,
,,,YM8:A:1271,valid,ic50,=,0.013,uM,C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N,
,,5OPU,,,,,,,
,,,A3K:A:301,valid,Ki,=,0.053,uM,Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,5OP4,,,,,,,
,,,A0T:A:301,valid,Ki,=,0.194,uM,CCNc1c(cnc(n1)Nc2cc(c(cc2OC)C(=O)N3CCOCC3)F)C(F)(F)F,
,,2CGW,,,,,,,
,,,3C3:A:1272,valid,ic50,=,17.3,uM,CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N,
,,3F9N,,,,,,,
,,,38M:A:324,valid,ic50,=,1.3,uM,CCCC[C@@H](C(=O)N1CCC[C@@]2(C1)CCCNC2)SC3=Nc4ccccc4C(=O)N3c5cccc(c5)Cl,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JIK,,,,,,,
,,,1KO:A:301,valid,ic50,=,0.018,uM,c1cc(ccc1c2cn3c(n2)c(cnc3C(=O)N)N[C@H]4CCCNC4)Cl,
,,4QYH,,,,,,,
,,,3DX:A:301,valid,ic50,=,0.0013,uM,CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N,
,,,3DX:B:301,valid,ic50,=,0.0013,uM,CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C#N,
,,2BRB,,,,,,,
,,,PFQ:A:1277,valid,Ki,=,13.7,uM,c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO,
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PA3,,,,,,,
,,,C70:A:1,valid,ic50,=,1,nM,c1cc(ccc1c2cc3c(s2)c(nnc3N[C@H]4CCCNC4)C(=O)N)Cl,
,,5OQ6,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,4K4:A:301,valid,Ki,=,0.0277,uM,CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C,
,,6FCF,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,D58:A:301,valid,ic50,=,0.006,uM,C[C@@H]1[C@H](CCCN1)Nc2c3cc(sc3c(cn2)C(=O)N)c4ccccc4,
,,2YER,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQ1:A:1270,valid,ic50,=,0.02,uM,c1cc([nH]c1)c2ccc3c(c2)N4C(=NNC4=O)C=C3CO,
,,2E9O,,,,,,,
,,,A58:A:1001,valid,ic50,=,20,nM,CC1CCC(CC1)NCc2ccc-3c(c2)Cc4c3[nH]nc4c5ccc(cc5)C(=O)O,
,,5OPB,,,,,,,
,,,A1N:A:301,valid,Ki,=,0.0241,uM,C[C@@H]1CN(C[C@@H](O1)C)c2cc(ncn2)c3c4cc(ccc4[nH]n3)OC5(CC5)C,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,2WMQ,,,,,,,
,,,ZYQ:A:1270,valid,,,,,CC(=O)Nc1nc2c(s1)C(=O)NCCC2,
,,2BRO,,,,,,,
,,,DF2:A:1277,valid,ic50,=,1.4,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NC[C@H](CO)O,
,,2QHN,,,,,,,
,,,582:A:500,valid,ic50,=,980,nM,CCN1c2ccccc2-c3c(c(n[nH]3)C)C1=O,
,,4RVM,,,,,,,
,,,3X7:A:301,valid,ic50,=,1,nM,c1cc(ccc1CN2CCCCC2)c3cc4c5cc(ncc5[nH]c4nc3)C#N,
,,5DLS,,,,,,,
,,,5CV:A:301,valid,ic50,=,4.4,nM,CC(C)(CN(C)C)COc1ccc2c(c1)cc([nH]2)C3=CC(=CNC3=O)NC(=O)c4cnn(c4)Cc5ccccc5,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YM5,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,YM5:A:1271,valid,ic50,=,0.43,uM,c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO,
,,4HYH,,,,,,,
,,,1AM:A:301,valid,ic50,=,1,nM,COc1ccc2c(c1)C(=O)N(C2)c3nc(cs3)C(=O)Nc4cnccc4N5CCNCC5,
,,5OPV,,,,,,,
,,,A3H:A:301,valid,Ki,=,0.0515,uM,Cc1cccc(c1)c2cc(nc3c2c(c[nH]3)C#N)Nc4ccn(n4)C,
,,5OOT,,,,,,,
,,,4K4:A:301,valid,Ki,=,0.0285,uM,CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C,
,,1NVS,,,,,,,
,,,ALA SER VAL SER ALA:B:301,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CO)C(NC(=O)C(NC(=O)C([NH3+])C)CO)C(C)C,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UCM:A:400,valid,Ki,=,15,nM,c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O,
,,2YDK,,,,,,,
,,,GOL:A:1272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YDK:A:1277,valid,ic50,=,0.007,uM,c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3,
,,3OT3,,,,,,,
,,,22K:A:1,valid,ic50,=,0.005,uM,Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@@H]4CCC[C@@H](C4)N,
,,2HXQ,,,,,,,
,,,373:A:324,valid,ic50,=,144,nM,c1ccc2c(c1)C=C(C(=O)N2)c3cc4cc(ccc4[nH]3)CN5CCC(CC5)CN,
,,2QHM,,,,,,,
,,,7CS:A:500,valid,ic50,=,660,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccn4,
,,2BRH,,,,,,,
,,,DFW:A:1272,valid,ic50,=,22.9,uM,c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCC(=O)O,
,,2R0U,,,,,,,
,,,M54:A:324,valid,ic50,=,1,nM,c1cc(cc(c1)O)C2=CNC(=O)c3c2cc(c4c3cc(cc4)c5c[nH]nc5)CCCN,
,,1NVR,,,,,,,
,,,ALA SER VAL SER ALA:B:301,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CO)C(NC(=O)C(NC(=O)C([NH3+])C)CO)C(C)C,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:400,valid,Ki,=,7.8,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3OT8,,,,,,,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,,MI5:A:1,valid,ic50,=,0.009,uM,Cc1cc(sn1)Nc2cc(nc3n2ncc3c4cnn(c4)C)[C@@H]5CCCNC5,
,,2YM4,,,,,,,
,,,4YM:A:1271,valid,ic50,=,1.5,uM,CCOC(=O)c1cnc2c(c1[N@]3CCO[C@@H](C3)CN)c(n[nH]2)c4cccc(c4)C#N,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,4HYI,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,1AO:A:304,valid,ic50,=,3,nM,c1ccc2c(c1)cnn2c3nc(cs3)C(=O)Nc4ccccc4N5CCNCC5,
,,4RVL,,,,,,,
,,,3XL:A:301,valid,ic50,=,41.7,nM,c1ccc(c(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N)O,
,,2XF0,,,,,,,
,,,4UB:A:1271,valid,ic50,=,30,uM,c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,2YM6,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,YM6:A:1271,valid,ic50,=,0.88,uM,c1cncc2c1c3c([nH]2)ncnc3[N@]4CCO[C@@H](C4)CN,
,,6FCK,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,D4Z:A:301,valid,ic50,=,0.031,uM,c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4,
,,4QYG,,,,,,,
,,,3DW:B:301,valid,ic50,=,0.0041,uM,CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O,
,,,3DW:A:301,valid,ic50,=,0.0041,uM,CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ncc5[nH]c4nc3)C(=O)O,
,,3TKH,,,,,,,
,,,07S:A:325,valid,ic50,=,47,nM,c1cc(cnc1)c2cnc(s2)Nc3cc(ccn3)N4CCN(CC4)CC(=O)N5CCOCC5,
,,,SO4:A:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XEZ,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,XEZ:A:1271,valid,ic50,=,1.5,uM,c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4,
,,2HXL,,,,,,,
,,,422:A:324,valid,ic50,=,12,nM,c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N,
,,5OQ7,,,,,,,
,,,A0Q:A:301,valid,Ki,=,0.322,uM,CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4,
,,,A0Q:B:301,valid,Ki,=,0.322,uM,CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4,
,,5F4N,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,5UY:A:302,valid,ic50,=,2.2,nM,COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N,
,,,5UY:A:301,valid,ic50,=,2.2,nM,COC(=O)c1cnc(cc1NC[C@H]2CNCCO2)Nc3cnc(cn3)C#N,
,,2E9N,,,,,,,
,,,76A:A:1001,valid,ic50,=,6.2,nM,c1cc(ccc1c2ccc(cc2)O)c3c4c([nH]n3)-c5ccc(cc5C4)C(=O)NC6CCC(CC6)O,
,,2YM3,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,YM3:A:1271,valid,ic50,=,1.2,uM,CCOC(=O)c1cnc2c(c1N3CCO[C@H](C3)CN)cn[nH]2,
,,2YDI,,,,,,,
,,,SO4:A:1281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YDI:A:1282,valid,,,,,CN(C)CCOc1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N,
,,5OP5,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,3FE:A:301,valid,Ki,=,0.216,uM,c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N,
,,3NLB,,,,,,,
,,,5BE:A:298,valid,ic50,=,35,nM,Cc1c(c([nH]n1)c2[nH]c3ccc(cc3n2)C(C)C)C(=O)NC4CCN(CC4)C,
,,3JVR,,,,,,,
,,,AGX:A:901,valid,Ki,=,1.89,uM,C[C@@H](c1[nH]c2ccccc2n1)OC(=O)Nc3ccc(c(c3)Cl)Cl,
,,2WMX,,,,,,,
,,,ZY6:A:1270,valid,ic50,=,0.86,uM,c1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[nH]3,
,,2C3J,,,,,,,
,,,DBQ:A:1271,valid,Ki,=,0.659,uM,c1c[nH]c2c1/C(=C3/C(=O)NC(=N3)N)/CCNC2=O,
,,,SO3:A:1272,invalid,,,,,[O-]S(=O)[O-],
,,2YM7,,,,,,,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:A:1275,invalid,,,,,C(CO)O,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,YM7:A:1272,valid,ic50,=,0.13,uM,c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3,
,,,YM7:A:1273,valid,ic50,=,0.13,uM,c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3,
,,2X8I,,,,,,,
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X8I:A:1270,valid,ic50,=,0.19,uM,CC1=CC2=NNC(=O)N2c3c1cc(cc3)c4cccc(c4)O,
,,2YDJ,,,,,,,
,,,PO4:A:1271,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1271,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YDJ:A:1270,valid,ic50,=,0.005,uM,c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N,
,,,YDJ:B:1270,valid,ic50,=,0.005,uM,c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N,
,,4QYE,,,,,,,
,,,3DL:A:301,valid,ic50,=,1.2,uM,c1cc(cc(c1)O)c2cncc(n2)c3ccc(cc3)C(=O)O,
,,5OP7,,,,,,,
,,,A1K:A:301,valid,,,,,CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N4CCOCC4)Cl,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,NA:A:303,invalid,,,,,[Na+],
,,5OOP,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5OPR,,,,,,,
,,,A3E:A:301,valid,Ki,=,2.56,uM,CC(C)n1cc(nn1)c2cc(cnc2N)c3ccc(cc3)CN4CCOCC4,
,,2BRG,,,,,,,
,,,DFY:A:1270,valid,ic50,=,6.1,uM,CN(CCO)c1c2c(c(oc2ncn1)c3ccccc3)c4ccccc4,
,,5OQ5,,,,,,,
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,4K4:A:301,valid,Ki,=,0.02,uM,CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C,
,,2CGU,,,,,,,
,,,3A3:A:1272,valid,ic50,=,13.4,uM,c1cc-2c(cc1OCC(=O)O)C(=NO)c3c2ccc(c3)OCC(=O)O,
,,2WMR,,,,,,,
,,,ZYR:A:1271,valid,ic50,=,52,uM,C1CCc2c(c3c(s2)N=CNC3=O)C1,
,,3PA5,,,,,,,
,,,C73:A:1,valid,ic50,=,2,nM,c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N[C@H]3CCCNC3)Cl,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,2WMV,,,,,,,
,,,ZYV:A:1271,valid,ic50,=,9.2,uM,c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN,
,,5OQ8,,,,,,,
,,,A0Q:A:301,valid,Ki,=,1.41,uM,CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4,
,,2CGX,,,,,,,
,,,3D3:A:1274,valid,ic50,=,15.6,uM,c1nc(c2c(n1)nc([nH]2)SCC(=O)N)N,
,,4QYF,,,,,,,
,,,3DV:A:301,valid,,,,,c1cc(cc(c1)O)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N,
,,5OPS,,,,,,,
,,,A3Q:A:301,valid,Ki,=,0.863,uM,c1cc(cc(c1)O)c2ccnc3c2c(c[nH]3)C#N,
,,3JVS,,,,,,,
,,,AGY:A:900,valid,Kd,=,0.29,uM,CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3,
,,2WMW,,,,,,,
,,,ZYW:A:1270,valid,ic50,=,0.39,uM,c1c2c(c(cnc2[nH]n1)Br)N3CCO[C@H](C3)CN,
,,2BR1,,,,,,,
,,,PFP:A:1277,valid,Ki,=,7.2,uM,COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)NCCO,
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2C3L,,,,,,,
,,,IDZ:A:1274,valid,Ki,=,8.58,uM,c1ccc2c(c1)c(n[nH]2)c3[nH]c4ccccc4n3,
,,,SO4:A:1275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OP2,,,,,,,
,,,A0Q:A:301,valid,Ki,=,0.24,uM,CN1CCN(CC1)c2ccc(c(c2)C(=O)Nc3cccnc3)OCc4ccccc4,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,2X8E,,,,,,,
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X8E:A:1271,valid,ic50,=,0.014,uM,CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccncc4,
,,2X8D,,,,,,,
,,,SO4:A:1283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X8D:A:1282,valid,ic50,=,0.8,uM,CC1=CC2=NNC(=O)N2c3c1cccc3,
,,2YEX,,,,,,,
,,,GOL:A:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YEX:A:1278,valid,ic50,=,0.0001,uM,CC1=CC2=NNC(=O)N2c3c1ccc(c3)c4ccc[nH]4,
,,2BRM,,,,,,,
,,,DFZ:A:1275,valid,Ki,=,1.3,uM,c1ccc(cc1)c2c3c([nH]c2c4ccccc4)ncnc3NCCO,
,,1NVQ,,,,,,,
,,,ALA SER VAL SER ALA:B:301,valid,,,,,O=C(NC(C(=O)NC(C=O)C)CO)C(NC(=O)C(NC(=O)C([NH3+])C)CO)C(C)C,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UCN:A:400,valid,Ki,=,5.6,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC,
,,5OOR,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,STU:A:301,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3PA4,,,,,,,
,,,C72:A:1,valid,ic50,=,3,nM,c1cc(ccc1c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N)Cl,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:277,invalid,,,,,C(C(CO)O)O,
,,4RVK,,,,,,,
,,,3XK:A:301,valid,ic50,=,13.5,nM,CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N,
,,2HOG,,,,,,,
,,,710:A:324,valid,ic50,=,0.3,nM,c1cc2c(cc1CN3CCCCC3)cc([nH]2)c4c5ccc(cc5[nH]n4)c6c(n[nH]n6)CO,
,,6FC8,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,D4Q:A:302,valid,ic50,=,0.012,uM,c1cc(cc(c1)F)c2cc3c(s2)c(cnc3N[C@H]4CCCNC4)C(=O)N,
,Family. Representative Entry is ,2X4Z,,,,,,,
,,,GOL:A:1591,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1592,invalid,,,,,C(C(CO)O)O,
,,,7KC:A:1593,valid,Kd,=,2.7,nM,Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C,
,,5VEF,,,,,,,
,,,M77:A:601,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,4APP,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,N53:A:601,valid,Ki,=,0.064,uM,CC1(c2c(c([nH]n2)NC(=O)c3cccc(c3)Oc4ccccc4)CN1C(=O)N5CCN(C[C@@H]5Cc6ccccc6)C)C,
,,5VEE,,,,,,,
,,,981:A:601,valid,ic50,=,779,nM,CCN1c2c(cnc(n2)Nc3ccc(c(c3)F)N4CCNCC4)C=C(C1=O)c5ccc(cc5Cl)Cl,
,,4O0X,,,,,,,
,,,2OQ:A:601,valid,Ki,=,0.068,uM,Cc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC4(CCCCC4)O,
,,6WLY,,,,,,,
,,,ARG LYS LYS ARG TYR THR VAL VAL GLY ASN:B:504,valid,,,,,O=C(NC(C(=O)NC(C(=O)NCC(=O)NC(C=O)CC(=O)N)C(C)C)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(O)C,
,,4O0Y,,,,,,,
,,,2OO:A:601,valid,Ki,=,0.06,uM,CCNc1nc2ccc(cc2n1c3ncnc(n3)N)C#CC(C)(C)O,
,,4FII,,,,,,,
,,,ARG PRO LYS PRO LEU VAL ASP PRO:B:49,valid,,,,,O=C(NC(C=O)C(C)C)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCCC[NH3+])CCC1)CC(C)C,
,,4NJD,,,,,,,
,,,NJD:A:600,valid,ic50,=,0.79,uM,COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5,
,,4JDK,,,,,,,
,,,ARG ARG ARG ARG SER TRP TYR:B:-3,valid,,,,,,
,,5XVG,,,,,,,
,,,EOH:A:604,invalid,,,,,CCO,
,,,EOH:A:606,invalid,,,,,CCO,
,,,EOH:A:605,invalid,,,,,CCO,
,,,EOH:A:603,invalid,,,,,CCO,
,,,EOH:A:602,invalid,,,,,CCO,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,8FX:A:601,valid,Ki,=,0.009,uM,C[C@@H]1CN(CCN1)C(=O)c2nc3ccc(cc3c(n2)Nc4cc([nH]n4)C5CC5)Cl,
,,5VED,,,,,,,
,,,STU:A:601,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,5XVA,,,,,,,
,,,EOH:A:604,invalid,,,,,CCO,
,,,EOH:A:605,invalid,,,,,CCO,
,,,EOH:A:602,invalid,,,,,CCO,
,,,EOH:A:603,invalid,,,,,CCO,
,,,8FU:A:601,valid,Ki,=,0.051,uM,Cc1cc(n[nH]1)Nc2c3cc(ccc3nc(n2)C(=O)N4CCN[C@@H](C4)C)Cl,
,,2CDZ,,,,,,,
,,,23D:A:1591,valid,,,,,CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N,
,,,CL:A:1594,invalid,,,,,[Cl-],
,,,SO4:A:1592,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1593,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JDI,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,ARG ARG ARG ARG SER TRP TYR:B:-4,valid,,,,,,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6WLX,,,,,,,
,,,LYS LYS ARG LEU SER VAL GLU:B:672,valid,,,,,O=C(NC(C=O)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)CC(C)C)CO,
,Family. Representative Entry is ,5UIU,,,,,,,
,,,8CG:A:4000,valid,ic50,=,0.2,nM,CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC,
,,,8CG:B:4000,valid,ic50,=,0.2,nM,CC[C@H]1[C@H](NC(=O)[C@H]1F)COc2c3cc(c(cc3ccn2)C(=O)N)OC,
,,5T1T,,,,,,,
,,,76P:D:9901,valid,ic50,=,58,nM,CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-],
,,,76P:C:9901,valid,ic50,=,58,nM,CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-],
,,,76P:A:9901,valid,ic50,=,58,nM,CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-],
,,,76P:B:9901,valid,ic50,=,58,nM,CN(C)C1CCC(CC1)Oc2c3cc(ccc3ncn2)[N+](=O)[O-],
,,5T1S,,,,,,,
,,,76Q:C:9901,valid,ic50,=,84,nM,Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C,
,,,76Q:B:9901,valid,ic50,=,84,nM,Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C,
,,,76Q:A:9901,valid,ic50,=,84,nM,Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C,
,,,76Q:D:9901,valid,ic50,=,84,nM,Cc1cc(cc(c1)c2cnc3ccc(cc3c2CCCCNC)c4cc(cnc4)O)C,
,,6THZ,,,,,,,
,,,NB5:A:501,valid,ic50,=,0.003,uM,Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F,
,,,NB5:B:501,valid,ic50,=,0.003,uM,Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CC6(C5)CN(C6)C)OC7(CC7)C)F,
,,6O95,,,,,,,
,,,LSV:B:501,valid,Ki,=,5.1,nM,C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO,
,,,LSV:A:502,valid,Ki,=,5.1,nM,C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO,
,,,LSV:C:501,valid,Ki,=,5.1,nM,C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO,
,,,LSV:D:503,valid,Ki,=,5.1,nM,C[C@@]1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)CO,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2NRU,,,,,,,
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T12:A:600,valid,,,,,CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-],
,,,T12:B:601,valid,,,,,CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-],
,,,T12:C:602,valid,,,,,CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-],
,,,T12:D:603,valid,,,,,CC(C)(C)C(=O)Oc1ccc2c(c1)nc(n2CCCO)NC(=O)c3cccc(c3)[N+](=O)[O-],
,,4YO6,,,,,,,
,,,4GD:D:502,invalid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4,
,,,4GD:D:501,valid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4,
,,,4GD:A:501,valid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4,
,,,4GD:C:501,valid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4,
,,,4GD:B:501,valid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3cnn4c3nccc4,
,,5K7G,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6R0:C:501,valid,ic50,=,0.002,uM,CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,,6R0:D:502,valid,ic50,=,0.002,uM,CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,,6R0:A:503,valid,ic50,=,0.002,uM,CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,,6R0:B:503,valid,ic50,=,0.002,uM,CN1[C@@H]2CCN(C[C@@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,6F3I,,,,,,,
,,,CKN:B:502,valid,,,,,C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C,
,,,CKN:A:501,valid,,,,,C[C@H](CC(=O)N)c1ccn2c1c(ncn2)NC3CCC(CC3)N4CCN(CC4)C(=O)C,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6TI8,,,,,,,
,,,NBW:A:501,valid,ic50,=,0.013,uM,CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C,
,,,NBW:B:501,valid,ic50,=,0.013,uM,CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C,
,,,NBW:D:501,valid,ic50,=,0.013,uM,CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C,
,,,NBW:C:501,valid,ic50,=,0.013,uM,CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)Nc4cnn(c4)C5CCN(CC5)C,
,,6EG9,,,,,,,
,,,CO:B:504,Part of Protein,,,,,[Co+2],
,,,CO:A:503,Part of Protein,,,,,[Co+2],
,,,CO:B:503,Part of Protein,,,,,[Co+2],
,,,CO:B:505,Part of Protein,,,,,[Co+2],
,,,0LI:A:501,valid,ic50,=,66.9,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:B:501,valid,ic50,=,66.9,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6THX,,,,,,,
,,,N9Z:B:501,valid,ic50,=,0.002,uM,CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C,
,,,N9Z:A:501,valid,ic50,=,0.002,uM,CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C,
,,5K72,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6QY:A:503,valid,ic50,=,0.006,uM,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4,
,,,6QY:C:501,valid,ic50,=,0.006,uM,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4,
,,,6QY:D:501,valid,ic50,=,0.006,uM,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4,
,,,6QY:B:504,valid,ic50,=,0.006,uM,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCOCC4,
,,5W85,,,,,,,
,,,9YS:B:4000,valid,ic50,=,10,nM,CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4,
,,,9YS:A:4000,valid,ic50,=,10,nM,CNC(=O)c1cnc(cc1N[C@@H](Cc2ccccc2)CO)Nc3ccc4c(c3)scn4,
,,6THW,,,,,,,
,,,NBK:B:501,valid,ic50,=,0.003,uM,Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F,
,,,NBK:A:501,valid,ic50,=,0.003,uM,Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6(CC6)C)F,
,,6O94,,,,,,,
,,,LRS:D:501,valid,Ki,=,7.4,nM,Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6,
,,,LRS:C:501,valid,Ki,=,7.4,nM,Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6,
,,,LRS:A:502,valid,Ki,=,7.4,nM,Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6,
,,,LRS:B:502,valid,Ki,=,7.4,nM,Cn1c2cc(c(cc2nc1N3CCOCC3)N4CCC(CC4)CO)NC(=O)c5cnn6c5nccc6,
,,,CA:B:501,invalid,,,,,[Ca+2],
,,,CA:A:501,invalid,,,,,[Ca+2],
,,6O8U,,,,,,,
,,,LS7:C:501,valid,Ki,=,5.3,nM,CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C,
,,,LS7:A:501,valid,Ki,=,5.3,nM,CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C,
,,,LS7:D:501,valid,Ki,=,5.3,nM,CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C,
,,,LS7:B:501,valid,Ki,=,5.3,nM,CC1(Cc2cc(c(cc2O1)N3CCOCC3)NC(=O)c4cnn5c4nccc5)C,
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,7C2V,,,,,,,
,,,FJ0:D:2001,valid,ic50,=,31.7,nM,Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6,
,,,FJ0:C:2001,valid,ic50,=,31.7,nM,Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6,
,,,FJ0:A:2001,valid,ic50,=,31.7,nM,Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6,
,,,FJ0:B:2001,valid,ic50,=,31.7,nM,Cc1cc(ccn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C5)O)nc(o4)N6CCOCC6,
,,2OID,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:4,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5K7I,,,,,,,
,,,6QZ:A:501,valid,ic50,=,0.002,uM,CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,,6QZ:B:502,valid,ic50,=,0.002,uM,CN1[C@H]2CCN(C[C@H]2CC1=O)C3CCC(CC3)Nc4c5c(c[nH]c5ncn4)C6CCOCC6,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZTN,,,,,,,
,,,4S3:B:501,valid,ic50,=,19,nM,c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5,
,,,4S3:A:501,valid,ic50,=,19,nM,c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5,
,,,4S3:D:501,valid,ic50,=,19,nM,c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5,
,,,4S3:C:501,valid,ic50,=,19,nM,c1ccc2c(c1)nc(s2)C3=C(N=C(NC3=O)N4CCOCC4)N[C@@H]5CCCNC5,
,,6MOM,,,,,,,
,,,JX4:A:500,valid,ic50,=,0.8,nM,Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5,
,,,JX4:B:500,valid,ic50,=,0.8,nM,Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5,
,,,JX4:C:500,valid,ic50,=,0.8,nM,Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5,
,,,JX4:D:500,valid,ic50,=,0.8,nM,Cn1cc(cn1)c2cn3c(cc2OC)ncc3c4cccc(n4)N[C@@H]5CCNC5,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,6EGE,,,,,,,
,,,DL1:A:501,valid,,,,,COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4,
,,,DL1:D:501,valid,,,,,COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4,
,,2NRY,,,,,,,
,,,STU:A:504,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:502,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:C:503,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:D:501,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,6F3D,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CJT:A:502,valid,,,,,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N,
,,,CJT:B:502,valid,,,,,CN(C)C1CCC(CC1)Nc2c3c(c[nH]c3ncn2)C4CCC(CC4)C(=O)N,
,,6VQL,,,,,,,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,R7S:B:501,valid,ic50,=,2.4,nM,CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O,
,,,R7S:D:501,valid,ic50,=,2.4,nM,CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O,
,,,R7S:A:501,valid,ic50,=,2.4,nM,CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O,
,,,R7S:C:501,valid,ic50,=,2.4,nM,CC(C)([C@@H](CNC(=O)c1cnc(cc1NC2CC2)Nc3ccc4c(c3)scn4)F)O,
,,4ZTL,,,,,,,
,,,4S1:C:501,valid,ic50,=,1.2,uM,CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3,
,,,4S1:A:501,valid,ic50,=,1.2,uM,CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3,
,,,4S1:D:501,valid,ic50,=,1.2,uM,CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3,
,,,4S1:B:501,valid,ic50,=,1.2,uM,CCCNc1ncc(c(n1)N[C@@H]2C[C@@H]([C@H]([C@H]2O)O)CO)c3nc4ccccc4s3,
,,4Y73,,,,,,,
,,,XPY:D:1000,valid,ic50,=,0.3,nM,Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N,
,,,XPY:A:1000,valid,ic50,=,0.3,nM,Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N,
,,,XPY:B:1000,valid,ic50,=,0.3,nM,Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N,
,,,XPY:C:1000,valid,ic50,=,0.3,nM,Cn1cc(c(n1)C(F)(F)F)NC(=O)c2cnn3c2nc(cc3)N[C@@H]4CCCC[C@@H]4N,
,,6LXY,,,,,,,
,,,EXF:A:501,valid,ic50,=,3.4,nM,CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F,
,,,EXF:D:502,valid,ic50,=,3.4,nM,CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F,
,,,EXF:E:502,valid,ic50,=,3.4,nM,CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F,
,,,EXF:B:502,valid,ic50,=,3.4,nM,CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)Nc2c(cn3c(n2)ccn3)F,
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5K75,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6QX:A:501,valid,ic50,=,0.14,uM,CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4,
,,,6QX:C:503,valid,ic50,=,0.14,uM,CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4,
,,,6QX:D:503,valid,ic50,=,0.14,uM,CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4,
,,,6QX:B:504,valid,ic50,=,0.14,uM,CN(C)C1CCC(CC1)Nc2c3c4c(sc3ncn2)CCC4,
,,2OIC,,,,,,,
,,,STU:A:1,valid,ic50,=,4,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:2,valid,ic50,=,4,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:C:3,valid,ic50,=,4,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:D:4,valid,ic50,=,4,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,5UIS,,,,,,,
,,,8C1:B:801,valid,ic50,=,146,nM,CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3,
,,,8C1:A:800,valid,ic50,=,146,nM,CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3,
,,,8C1:D:501,valid,ic50,=,146,nM,CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3,
,,,8C1:C:501,valid,ic50,=,146,nM,CC(C)Oc1cc2c(ccnc2cc1C(=O)N)O[C@@H]3CCCNC3,
,,5UIT,,,,,,,
,,,8CD:A:501,valid,ic50,=,4.6,nM,CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N,
,,,8CD:B:501,valid,ic50,=,4.6,nM,CC(C)Oc1cc2c(ccnc2OC[C@@H]3CCC(=O)N3)cc1C(=O)N,
,,6RFI,,,,,,,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K1H:A:502,valid,ic50,=,0.037,uM,COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N,
,,,K1H:B:502,valid,ic50,=,0.037,uM,COC(=O)N1CCN(CC1)C2CCC(CC2)Nc3c4cc(ccc4ncn3)C#N,
,,6EGD,,,,,,,
,,,J87:A:501,valid,,,,,COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4,
,,,J87:D:501,valid,,,,,COc1cc(ccc1NC(=O)c2cnc(s2)c3cccnc3)N4CCOCC4,
,Family. Representative Entry is ,2WQN,,,,,,,
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,NI:A:1302,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3CY2,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,EDO:A:551,invalid,,,,,C(CO)O,
,,,MB9:A:501,valid,ic50,=,60,nM,Cn1c2cc(ccc2c3c1C(=O)NC4([C@@H]3C#N)CCNCC4)Cl,
,,3JPV,,,,,,,
,,,1DR:A:313,valid,ic50,=,0.12,uM,c1ccc2c(c1)c3ccc4c(c[nH]c4c3[nH]2)C=O,
,,4JX7,,,,,,,
,,,1N6:A:401,valid,ic50,=,123,nM,c1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F,
,,3CXW,,,,,,,
,,,7CP:A:501,valid,,,,,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C,
,,,CL:A:401,invalid,,,,,[Cl-],
,,4GW8,,,,,,,
,,,3RA:A:401,valid,ic50,=,0.88,uM,c1ccc(cc1)NC2=NC(=O)C(=N2)Cc3ccc4c(c3)OCO4,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5H8E,,,,,,,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5Y3:B:423,valid,Kd,=,6.33,pM,CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4,
,,,5Y3:A:421,valid,Kd,=,6.33,pM,CC(=O)Nc1cc(ccc1N(C)CCN)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4,
,,,CL:B:407,invalid,,,,,[Cl-],
,,4FBX,,,,,,,
,,,0TJ GLY ASP ASP ASP ASP ASP:B:1,valid,,,,,Brc1c(Br)c(Br)c2ncn(CC(=O)N)c2c1Br,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,6L21,,,,,,,
,,,E3U:A:401,valid,,,,,c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O,
,,5OUU,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AWN:B:402,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3,
,,,AWN:A:403,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]c4ccccc4n3,
,,4RLL,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,E91:A:402,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O,
,,5CU4,,,,,,,
,,,54S:A:404,valid,Kd,=,0.32,uM,c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,6HOT,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,CIY:A:404,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,5ORJ,,,,,,,
,,,A4Q:A:406,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CN,
,,,A4Q:A:405,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CN,
,,,A4Q:B:404,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CN,
,,,ADP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I6P:A:407,invalid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,3MB6,,,,,,,
,,,01I:A:332,valid,ic50,=,100,nM,c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O,
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5M4F,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,7FC:A:401,valid,,,,,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O,
,,6A1C,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:428,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,EDO EDO:A:426,invalid,,,,,,
,,,9NX:A:401,valid,,,,,COc1cc(c(cc1O)Br)/C=N/n2c(nnc2SC)c3ccccc3,
,,6EHU,,,,,,,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,B5E:B:403,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,,B5E:A:403,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,,B5E:A:401,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,,B5E:B:401,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,,B5E:B:402,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,,B5E:A:402,valid,,,,,CCc1ccccc1c2ccc(cc2C(F)(F)F)CNCCc3[nH]c4ccccc4n3,
,,5CVH,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,I6P:B:402,invalid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,I6P:A:402,invalid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,3BQC,,,,,,,
,,,CL:A:336,invalid,,,,,[Cl-],
,,,CL:A:337,invalid,,,,,[Cl-],
,,,EMO:A:400,valid,ic50,~,2,uM,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,6L22,,,,,,,
,,,E3U:A:401,valid,,,,,c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O,
,,5N9K,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,8QK:A:401,valid,Ki,=,0.46,nM,COc1ccc(cc1)/N=C/c2c(ccc3c2oc4c3c(c(c(c4)Cl)O)Cl)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,5OTQ,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,AUH:A:404,valid,,,,,CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3,
,,,AUH:A:403,valid,,,,,CCc1ccccc1c2ccc(cc2OC)CNCCc3[nH]c4ccccc4n3,
,,5CU2,,,,,,,
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,54G:B:403,valid,,,,,Cc1ccc(c(c1)C(=O)O)O,
,,,54G:A:404,valid,,,,,Cc1ccc(c(c1)C(=O)O)O,
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,551:A:403,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:B:401,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:B:402,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:A:401,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:A:402,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,5MO5,,,,,,,
,,,4IH:A:403,valid,,,,,CS(=O)(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5M4I,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,7FC:A:401,valid,,,,,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O,
,,5MP8,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,RKN:A:406,valid,,,,,C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2,
,,,RKN:B:405,valid,,,,,C[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2,
,,6HOR,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GJK:A:401,valid,,,,,CC(=O)/C=C/c1ccc(c(c1)OC)O,
,,5MOV,,,,,,,
,,,HC4:A:401,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,5MOH,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,YTX:A:401,valid,,,,,COc1cc(ccc1O)CC(=O)O,
,,6JWA,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,5ID:A:401,valid,ic50,=,10.9,uM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,6HNW,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CUE:A:401,valid,ic50,=,200,nM,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,5CSH,,,,,,,
,,,ATP:B:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,54E:A:402,valid,Kd,=,270,uM,c1ccc(cc1)c2ccc(cc2Cl)CN,
,,,54E:B:403,valid,Kd,=,270,uM,c1ccc(cc1)c2ccc(cc2Cl)CN,
,,,54E:B:404,valid,Kd,=,270,uM,c1ccc(cc1)c2ccc(cc2Cl)CN,
,,,54E:A:401,valid,Kd,=,270,uM,c1ccc(cc1)c2ccc(cc2Cl)CN,
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,7A49,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QWN:A:401,valid,ic50,=,3.26,uM,c1c2c(nc(c1Br)Cl)nn[nH]2,
,,,QWN:B:401,valid,ic50,=,3.26,uM,c1c2c(nc(c1Br)Cl)nn[nH]2,
,,5OTL,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AQT:A:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC,
,,,AQT:B:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)OC,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,5ORK,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,A4T:A:404,valid,Kd,=,234,uM,c1ccc(c(c1)c2ccc(cc2Cl)CN)F,
,,,CL:A:405,invalid,,,,,[Cl-],
,,7A4B,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QXW:A:402,valid,ic50,=,2.56,uM,c1c2c(nc(c1Br)Br)nn[nH]2,
,,,QXW:B:402,valid,ic50,=,2.56,uM,c1c2c(nc(c1Br)Br)nn[nH]2,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,3OWL,,,,,,,
,,,19E:A:332,valid,ic50,=,0.67,uM,Cc1cnc(c2c1[nH]c3c2c4ccc(cc4cc3)O)Cl,
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OYF,,,,,,,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,B4Q:A:401,valid,,,,,CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3,
,,,B4Q:A:402,valid,,,,,CCc1ccccc1c2ccc(cc2C)CNCCc3[nH]c4ccccc4n3,
,,5H8G,,,,,,,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,5Y4:A:421,valid,Kd,=,48.2,pM,CC(=O)Nc1cc(ccc1N(C)CCN(C)C)Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4,
,,5OS7,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,A8Q:B:402,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,,A8Q:A:405,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,,A8Q:A:404,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,,ATP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6YPJ,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,P5W:A:402,valid,,,,,c1ccc(cc1)c2csc(n2)Nc3ccc(cc3)C(=O)O,
,,5OTZ,,,,,,,
,,,AUT:A:404,valid,Kd,=,6.5,uM,CCc1ccccc1c2c(cc(cc2Cl)CN)Cl,
,,,AUT:A:405,valid,Kd,=,6.5,uM,CCc1ccccc1c2c(cc(cc2Cl)CN)Cl,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,TFA:A:403,invalid,,,,,C(=O)(C(F)(F)F)O,
,,6HOQ,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FER:A:404,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,5OUM,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,AVK:A:404,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCc3[nH]ccn3,
,,5B0X,,,,,,,
,,,HCK:A:401,valid,ic50,=,0.02,uM,COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=O)O,
,,5MO8,,,,,,,
,,,C98:A:404,valid,Kd,=,1.64,uM,c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O,
,,,C98:B:401,valid,Kd,=,1.64,uM,c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)Nc3cccc(c3)C(=O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6RCB,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JYZ:A:401,valid,ic50,=,0.33,uM,COc1cc(ccc1O)/C=C(C#N)/C(=O)Nc2ccccc2O,
,,6HME,,,,,,,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,FXB:B:410,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2,
,,,FXB:A:410,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2,
,,,NA:B:409,invalid,,,,,[Na+],
,,6HOP,,,,,,,
,,,V55:A:406,valid,,,,,COc1cc(ccc1O)C=O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,FER:A:405,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIY:A:408,valid,,,,,COc1cc(ccc1O)/C=C/C=O,
,,,GJK:A:407,valid,,,,,CC(=O)/C=C/c1ccc(c(c1)OC)O,
,,5OTO,,,,,,,
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,AQW:B:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl,
,,,AQW:A:406,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)Cl,
,,3AT4,,,,,,,
,,,CCK:A:336,valid,Kd,=,2.26,nM,CC(C)Nc1ccc2cnn(c2c1)c3cncc(n3)n4ccc(c4)CC(=O)O,
,,3OWJ,,,,,,,
,,,1EL:A:332,valid,Ki,=,0.86,uM,Cc1c2c(c(c3c1[nH]c4c3cc(cc4)O)C)C(=O)N=CC2,
,,6RFF,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K1B:A:401,valid,ic50,=,0.37,uM,c1cc(c(cc1/C=C(C#N)/C(=O)Nc2nnc(s2)Br)[N+](=O)[O-])O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6EII,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,B5W:A:405,valid,,,,,c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3,
,,,B5W:B:405,valid,,,,,c1ccc(cc1)CCC[NH2+]Cc2ccc(c(c2)Cl)c3ccccc3,
,,5CU0,,,,,,,
,,,54G:A:403,valid,,,,,Cc1ccc(c(c1)C(=O)O)O,
,,,54G:B:403,valid,,,,,Cc1ccc(c(c1)C(=O)O)O,
,,,54R:B:402,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,54R:B:401,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,54R:A:402,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,54R:A:401,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,5OWH,,,,,,,
,,,B0K:A:401,valid,,,,,c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6L1Z,,,,,,,
,,,E3U:A:401,valid,,,,,c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O,
,,3WAR,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,NIO:A:401,valid,,,,,c1cc(cnc1)C(=O)O,
,,5MOE,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:B:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,OQC:B:409,valid,Kd,=,520,uM,c1cc(c(cc1CN)Cl)c2ccoc2,
,,,OQC:B:408,valid,Kd,=,520,uM,c1cc(c(cc1CN)Cl)c2ccoc2,
,,,OQC:A:409,valid,Kd,=,520,uM,c1cc(c(cc1CN)Cl)c2ccoc2,
,,,OQC:A:411,valid,Kd,=,520,uM,c1cc(c(cc1CN)Cl)c2ccoc2,
,,,OQC:A:410,valid,Kd,=,520,uM,c1cc(c(cc1CN)Cl)c2ccoc2,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IHP:A:404,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:404,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,5OUE,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,AVZ:B:402,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3,
,,,AVZ:A:403,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3c[nH]cn3,
,,,AW5:A:402,valid,,,,,Cc1cc(cc(c1)O)C(=O)O,
,,5MOD,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,86L:A:404,valid,Kd,=,300,uM,CC(C)Oc1ccc(cc1Cl)CN,
,,6RB1,,,,,,,
,,,JWQ:A:406,valid,ic50,=,1.37,uM,COc1cc(ccc1O)/C=C(C#N)/C(=O)Nc2nnc(s2)C(F)(F)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,6TEI,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,N4N:A:401,valid,,,,,c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O,
,,,N4N:B:401,valid,,,,,c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O,
,,5OWL,,,,,,,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B0K:A:401,valid,,,,,c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br,
,,,B0K:B:401,valid,,,,,c1nc2c(n1CCCN)c(c(c(c2Br)Br)Br)Br,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,6HBN,,,,,,,
,,,NA:B:408,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:B:407,Part of Protein,,,,,[Na+],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,FXB:A:406,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2,
,,,FXB:B:406,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2,
,,5CU3,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,54S:A:404,valid,Kd,=,0.32,uM,c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O,
,,,54S:B:403,valid,Kd,=,0.32,uM,c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,5OTR,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,AU8:A:404,valid,,,,,c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl,
,,,AU8:A:403,valid,,,,,c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl,
,,,AU8:A:405,valid,,,,,c1ccc(cc1)c2c(cc(cc2Cl)C[NH3+])Cl,
,,,ATP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4KWP,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EXX:A:408,valid,Ki,=,0.04,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)c(c(c(c2Br)Br)Br)Br,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,5OSL,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,A9K:A:407,valid,,,,,c1ccc(c(c1)c2ccc(cc2Cl)CN)O,
,,,A9K:A:406,valid,,,,,c1ccc(c(c1)c2ccc(cc2Cl)CN)O,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5N9N,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,KC5:A:401,valid,Ki,=,0.41,nM,COc1ccc(cc1)N/C=C2/c3c(c4c(o3)cc(c(c4Cl)O)Cl)CCC2=O,
,,5CSP,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,54G:A:401,valid,Kd,=,58,uM,Cc1ccc(c(c1)C(=O)O)O,
,,5CTP,,,,,,,
,,,54R:B:404,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,54R:A:402,valid,,,,,CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5MOW,,,,,,,
,,,BR9:A:401,valid,,,,,c1c(cnc(c1N)N)Br,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,4UB7,,,,,,,
,,,3G5:A:401,valid,Ki,=,2.5,nM,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Br)Br)O)C(=O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,5MMF,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,JMB:A:401,valid,,,,,CCC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2,
,,5OTH,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,AQ8:A:406,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC,
,,,AQ8:B:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4cccc(c4n3)OC,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PJK,,,,,,,
,,,ANP:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:341,invalid,,,,,[Cl-],
,,6YPK,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3NSZ,,,,,,,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OTI,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,AOK:A:404,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4ccc(cc4n3)C,
,,3AXW,,,,,,,
,,,TID:A:336,valid,,,,,c1cc(ccc1c2nnc(s2)N)C(=O)O,
,,5MO6,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,KXZ:A:401,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCNC(=O)CC(=O)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2PVR,,,,,,,
,,,ANP:A:6004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3C13,,,,,,,
,,,CL:A:336,invalid,,,,,[Cl-],
,,,CL:A:337,invalid,,,,,[Cl-],
,,,EMO:A:400,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,5CS6,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,K82:A:404,valid,Kd,=,630,uM,CCCOc1ccc(cc1Cl)CN,
,,,K82:A:406,valid,Kd,=,630,uM,CCCOc1ccc(cc1Cl)CN,
,,,K82:A:407,valid,Kd,=,630,uM,CCCOc1ccc(cc1Cl)CN,
,,,K82:A:405,valid,Kd,=,630,uM,CCCOc1ccc(cc1Cl)CN,
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6YPH,,,,,,,
,,,N5Q:B:401,valid,,,,,c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O,
,,,N5Q:A:401,valid,,,,,c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O,
,,3PE2,,,,,,,
,,,E1B:A:338,valid,Ki,=,0.175,nM,C#Cc1cccc(c1)Nc2c3c(cncn3)c4ccc(cc4n2)C(=O)O,
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CT0,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,54P:B:401,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCO,
,,,54P:A:403,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCO,
,,6RCM,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K0N:A:402,valid,ic50,=,0.36,uM,CC(C)(C)c1nnc(s1)NC(=O)/C(=C/c2ccc(c(c2)OC)O)/C#N,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,5CU6,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5M4C,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,7EY:A:401,valid,,,,,Cc1ccc(cc1)c2csc3c2c(ncn3)SCCC(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6SPX,,,,,,,
,,,DAS ASP ASP ASP ASP ASP LYS 9AB:B:2,valid,ic50,=,44,uM,Brc1c(Br)c(Br)c2ncn(CCCCCCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c2c1Br,
,,5MO7,,,,,,,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YRA:A:403,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)N,
,,5N9L,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,8QH:A:401,valid,Ki,=,15,nM,Cc1ccc(cc1)N/C=C2/c3c(c4cc(c(c(c4o3)Cl)Cl)O)CCC2=O,
,,5OT5,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,AWK:B:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C,
,,,AWK:A:405,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,3OWK,,,,,,,
,,,18E:A:332,valid,ic50,=,1.5,uM,Cc1cnc(c2c1[nH]c3c2ccc4c3ccc(c4)O)Cl,
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MMR,,,,,,,
,,,H83:A:402,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN,
,,,H83:B:401,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN,
,,,H83:A:401,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)CNCCCCN,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5MPJ,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,J2P:A:403,valid,,,,,CC[NH2+]Cc1ccc(c(c1)Cl)c2ccccc2,
,,,I6P:A:402,invalid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,5OQU,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,A4B:A:402,valid,,,,,COc1ccccc1c2ccc(cc2Cl)CN,
,,,I6P:A:408,invalid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,6GIH,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,EZN:A:403,valid,,,,,c1cc(c2cc[nH]c2c1)c3cc(cc(c3)Cl)CN,
,,6RFE,,,,,,,
,,,K0Z:A:403,valid,ic50,=,0.28,uM,COc1cc(ccc1O)/C=C(C#N)/C(=O)Nc2nnc(s2)Br,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6YPG,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,N5Q:A:401,valid,,,,,c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O,
,,5CSV,,,,,,,
,,,GAB:A:403,valid,,,,,c1cc(cc(c1)N)C(=O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,5MOT,,,,,,,
,,,HBD:A:401,valid,,,,,c1cc(ccc1C(=O)N)O,
,,,HBD:A:402,valid,,,,,c1cc(ccc1C(=O)N)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,3R0T,,,,,,,
,,,EDO:A:344,invalid,,,,,C(CO)O,
,,,EDO:A:345,invalid,,,,,C(CO)O,
,,,EDO:A:346,invalid,,,,,C(CO)O,
,,,EDO:A:347,invalid,,,,,C(CO)O,
,,,EDO:A:348,invalid,,,,,C(CO)O,
,,,EDO:A:349,invalid,,,,,C(CO)O,
,,,EDO:A:350,invalid,,,,,C(CO)O,
,,,EDO:A:351,invalid,,,,,C(CO)O,
,,,EDO:A:352,invalid,,,,,C(CO)O,
,,,FU9:A:338,valid,ic50,=,0.91,nM,c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc5n2)C(=O)O)C(F)(F)F,
,,,PEG:A:343,invalid,,,,,C(COCCO)O,
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PE1,,,,,,,
,,,3NG:A:338,valid,Ki,=,0.223,nM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3JUH,,,,,,,
,,,ANP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:336,invalid,,,,,[Cl-],
,,,CL:A:337,invalid,,,,,[Cl-],
,,,CL:A:338,invalid,,,,,[Cl-],
,,,CL:B:336,invalid,,,,,[Cl-],
,,,CL:B:337,invalid,,,,,[Cl-],
,,,CL:B:338,invalid,,,,,[Cl-],
,,,GOL:A:340,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:340,invalid,,,,,C(C(CO)O)O,
,,5CLP,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,42J:B:405,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:404,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:B:403,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:403,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:402,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:B:401,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:401,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:B:402,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:B:404,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:406,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,,42J:A:405,valid,,,,,c1cc(c(cc1CCN)Cl)Cl,
,,5ORH,,,,,,,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,A4N:A:402,valid,Kd,=,41,uM,Cc1ccccc1c2ccc(cc2Cl)CN,
,,,A4N:B:402,valid,Kd,=,41,uM,Cc1ccccc1c2ccc(cc2Cl)CN,
,,,A4N:B:401,valid,Kd,=,41,uM,Cc1ccccc1c2ccc(cc2Cl)CN,
,,,A4N:A:401,valid,Kd,=,41,uM,Cc1ccccc1c2ccc(cc2Cl)CN,
,,3H30,,,,,,,
,,,CL:A:338,invalid,,,,,[Cl-],
,,,CL:A:339,invalid,,,,,[Cl-],
,,,CL:A:340,invalid,,,,,[Cl-],
,,,CL:A:341,invalid,,,,,[Cl-],
,,,CL:A:342,invalid,,,,,[Cl-],
,,,CL:A:343,invalid,,,,,[Cl-],
,,,CL:A:344,invalid,,,,,[Cl-],
,,,CL:A:345,invalid,,,,,[Cl-],
,,,CL:A:346,invalid,,,,,[Cl-],
,,,CL:A:347,invalid,,,,,[Cl-],
,,,CL:A:348,invalid,,,,,[Cl-],
,,,CL:A:349,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,CL:B:337,invalid,,,,,[Cl-],
,,,CL:B:338,invalid,,,,,[Cl-],
,,,CL:B:339,invalid,,,,,[Cl-],
,,,CL:B:340,invalid,,,,,[Cl-],
,,,CL:B:341,invalid,,,,,[Cl-],
,,,CL:B:342,invalid,,,,,[Cl-],
,,,CL:B:343,invalid,,,,,[Cl-],
,,,CL:B:344,invalid,,,,,[Cl-],
,,,CL:B:345,invalid,,,,,[Cl-],
,,,CL:B:346,invalid,,,,,[Cl-],
,,,CL:B:347,invalid,,,,,[Cl-],
,,,CL:B:348,invalid,,,,,[Cl-],
,,,CL:B:349,invalid,,,,,[Cl-],
,,,CL:B:350,invalid,,,,,[Cl-],
,,,CL:B:351,invalid,,,,,[Cl-],
,,,CL:B:352,invalid,,,,,[Cl-],
,,,CL:B:353,invalid,,,,,[Cl-],
,,,CL:B:354,invalid,,,,,[Cl-],
,,,RFZ:A:336,valid,Ki,=,29.2,uM,c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,RFZ:A:337,valid,Ki,=,29.2,uM,c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,RFZ:B:336,valid,Ki,=,29.2,uM,c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,2ZJW,,,,,,,
,,,REF:A:336,valid,Ki,=,0.02,uM,c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O,
,,6HOU,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V55:A:403,valid,,,,,COc1cc(ccc1O)C=O,
,,7A4C,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QWW:B:401,valid,ic50,=,3.82,uM,c12c(c(c(nc1nn[nH]2)Br)Br)Br,
,,,QWW:A:401,valid,ic50,=,3.82,uM,c12c(c(c(nc1nn[nH]2)Br)Br)Br,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6YPN,,,,,,,
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ADP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,5OSZ,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,AHK:A:405,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3,
,,,AHK:A:403,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3,
,,,AHK:A:404,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)C[NH2+]CCc3[nH]c4ccccc4n3,
,,4GRB,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,0XG:A:402,valid,ic50,=,17,nM,CN(C)C(=O)c1ccc(cc1)Nc2ncc(c(n2)OC)c3cc(cs3)C(=O)O,
,,5OT6,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AJK:A:403,valid,,,,,c1ccc(cc1)c2ccc(cc2Cl)C[NH2+]CCc3ccc[nH]3,
,,6EHK,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,AUW:A:403,valid,,,,,CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl,
,,,54G:A:404,valid,,,,,Cc1ccc(c(c1)C(=O)O)O,
,,6L24,,,,,,,
,,,E3U:A:401,valid,,,,,c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O,
,,3MB7,,,,,,,
,,,14I:A:332,valid,ic50,=,200,nM,c1cc2c(cc(o2)C(=O)O)c3c1ccc4c3cc(o4)C(=O)O,
,,,SO4:A:333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OS8,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,J27:A:404,valid,,,,,Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F,
,,,J27:A:405,valid,,,,,Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F,
,,,J27:A:406,valid,,,,,Cc1cc(ccc1c2ccc(cc2Cl)C[NH3+])F,
,,,ATP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,5OTY,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,TFA:A:404,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,AUW:A:405,valid,,,,,CCc1ccccc1c2c(cc(cc2Cl)CNCCc3[nH]c4ccccc4n3)Cl,
,,5OTD,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AOW:B:402,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O,
,,,AOW:A:404,valid,,,,,CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(n3)cccc4[N+](=O)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,6GMD,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A8Q:B:405,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,,A8Q:A:402,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,,A8Q:B:404,valid,,,,,CC(C)c1ccccc1c2ccc(cc2Cl)C[NH3+],
,,5CVF,,,,,,,
,,,54Z:A:401,valid,,,,,c1cc(c(cc1CN)Cl)OC(F)(F)F,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,6HNY,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,GHT:A:401,valid,,,,,CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC)O,
,,5CX9,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,551:A:405,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:A:406,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:A:407,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:B:404,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,551:B:403,valid,,,,,COC(=O)CC(=O)NCCCNCc1ccc(c(c1)Cl)c2ccccc2,
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5OUL,,,,,,,
,,,AWE:A:406,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,AWE:A:408,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,AWE:A:405,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,AWE:A:407,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,AWE:A:404,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,AWE:A:403,valid,,,,,c1cc(cc(c1)F)c2ccc(cc2Cl)CN,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,TFA:A:409,invalid,,,,,C(=O)(C(F)(F)F)O,
,Family. Representative Entry is ,4XH0,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XHG,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,2PZI,,,,,,,
,,,AXX:A:753,valid,ic50,=,3,uM,C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1,
,,,AXX:B:752,valid,ic50,=,3,uM,C1CCc2c(c(c(s2)NC(=O)C3CC3)C(=O)N)C1,
,,,CD:A:752,invalid,,,,,[Cd+2],
,,,CD:B:751,invalid,,,,,[Cd+2],
,,,CL:A:751,invalid,,,,,[Cl-],
,,,GOL:A:754,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:755,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:756,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:757,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:753,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:754,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3FHR,,,,,,,
,,,P4O:A:1,valid,,,,,c1ccc2c(c1)cc(cn2)c3cc(ccn3)c4cc5c([nH]4)CCNC5=O,
,,3R1N,,,,,,,
,,,05B:A:1,valid,,,,,c1cc2c(cc1c3nccc(n3)c4cc5c([nH]4)C6(CCNCC6)CNC5=O)OCO2,
,,3SHE,,,,,,,
,,,I85:A:350,valid,,,,,c1cc(cc(c1)C(F)(F)F)C(=O)Nc2cc(ccn2)c3cc4c([nH]3)[C@]5(CCCNC5)CNC4=O,
,Family. Representative Entry is ,2ZEJ,,,,,,,
,,,GDP:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,3D6T,,,,,,,
,,,GDP:B:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:2,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3TPV,,,,,,,
,,,ADE:B:500,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:B:833,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TPT,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:442,Part of Protein,,,,,[Mg+2],
,,,SO4:A:833,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:834,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2V92,,,,,,,
,,,AMP:E:1329,valid,Kd,=,24.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:E:1327,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:1328,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2V8Q,,,,,,,
,,,AMP:E:1327,valid,Kd,=,24.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:1328,valid,Kd,=,24.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:1329,valid,Kd,=,24.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5VCV,,,,,,,
,,,1N1:A:404,valid,Kd,=,150,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5VCZ,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,XZN:A:401,valid,Kd,=,444,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl,
,,5VD1,,,,,,,
,,,P48:A:401,valid,Kd,=,990,nM,CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,5VD0,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,8X7:A:401,valid,Kd,=,324,nM,CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O,
,,5VCW,,,,,,,
,,,93J:A:401,valid,Kd,=,1105,nM,CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F,
,,,93J:B:401,valid,Kd,=,1105,nM,CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5VD3,,,,,,,
,,,H8H:A:401,valid,Kd,=,2817,nM,CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5VCY,,,,,,,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,DB8:A:401,valid,Kd,=,270,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4YZN,,,,,,,
,,,4K5:A:1301,valid,ic50,=,15.4,uM,COc1cc(c(cc1Nc2ncc(c(n2)NC3CC3)C(F)(F)F)F)C(=O)N4CCOCC4,
,,4F1T,,,,,,,
,,,H52:A:1301,valid,,,,,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,,H52:A:1302,valid,,,,,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,4F1M,,,,,,,
,,,ACP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,BTB:A:1302,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,4F1O,,,,,,,
,,,ACP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4F0F,,,,,,,
,,,ACP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6F3G,,,,,,,
,,,CJN:A:501,valid,,,,,CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C,
,,,CJN:B:502,valid,,,,,CC(C)n1ccc2c1c(ncn2)NC3CCC(CC3)N(C)C,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2Z7R,,,,,,,
,,,STU:A:1,valid,ic50,~,0.4,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,2Z7S,,,,,,,
,,,P01:A:1,valid,,,,,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl,
,,2Z7Q,,,,,,,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5EW9,,,,,,,
,,,5VC:A:1000,valid,Ki,<,0.01,nM,c1cc(nc(c1)Nc2nccs2)CC3(CCC(CC3)Oc4cccc(c4F)Cl)C(=O)O,
,,4UZH,,,,,,,
,,,JVE:A:1392,valid,ic50,=,9800,nM,c1ccc(c(c1)[C@H]2c3c[nH]nc3NC4=C2C(=O)CNC4)F,
,,6R49,,,,,,,
,,,JSB:A:504,valid,,,,,CC(C)[C@]12C[C@](c3ccccc3CN1)(N(C2=O)C4CC4)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6R4A,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,JRT:A:510,valid,,,,,c1ccc(cc1)CCNC(=O)Cn2cnc3c2cccc3,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5OS1,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,A7H:A:407,valid,Kd,=,494,uM,CCOc1ccc2c(c1)sc(n2)C,
,,2C6E,,,,,,,
,,,HPM:A:1389,valid,,,,,COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5,
,,,HPM:B:1388,valid,,,,,COc1cc2c(cc1OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=O)c5ccccc5,
,,3H0Y,,,,,,,
,,,48B:A:1,valid,ic50,=,0.006,uM,c1ccc(c(c1)C(=O)Nc2ccc(cc2)Nc3c(cnc(n3)Nc4ccc(cc4)O)F)Cl,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B0G,,,,,,,
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VEK:A:1392,valid,ic50,=,0.015,uM,Cc1cc(no1)CN2CCN(CC2)c3c(cnc4c3[nH]c(n4)c5cncn5C)Br,
,,4JBP,,,,,,,
,,,YPH:A:501,valid,ic50,=,41,nM,c1ccc(cc1)NC(=O)Nc2ccc(cc2)CCNc3c4cc(oc4ncn3)c5ccc(cc5)OCCN6CCC(CC6)O,
,,3H10,,,,,,,
,,,97B:A:1,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl,
,,,97B:B:2,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl,
,,,97B:D:3,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)Nc3ncc4c(n3)-c5ccc(cc5C(=NC4)c6c(cccc6F)F)Cl,
,,6VPM,,,,,,,
,,,AMP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,R74:A:603,invalid,,,,,c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2,
,,,R74:B:602,invalid,,,,,c1cc2c(cc1CC(=O)N[C@@H](CS)C(=O)NCc3ccncc3)OCO2,
,,,MLA:A:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,1MQ4,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2086,Part of Protein,,,,,[Mg+2],
,,,MG:A:2088,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6C2R,,,,,,,
,,,EG7:A:404,valid,Ki,=,0.8,nM,Cc1cc(n[nH]1)Nc2ccc(c(n2)C[C@]3(CCN([C@@H](C3)C)Cc4cccc(c4F)Cl)C(=O)O)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ORY,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AY4:A:406,valid,Kd,=,357,uM,c1c[nH]nc1c2cc(cc(c2O)F)F,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,4CEG,,,,,,,
,,,GOL:A:1394,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1393,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1397,invalid,,,,,[Cl-],
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,CL:A:1400,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,ADP:A:1392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1396,Part of Protein,,,,,[Mg+2],
,,,MG:A:1395,Part of Protein,,,,,[Mg+2],
,,6VPH,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,ANP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,DTD:A:603,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,5ORV,,,,,,,
,,,A65:A:406,valid,Kd,=,1297,uM,CSc1c(c(sn1)SC)CO,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,5OS6,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A7Q:A:404,valid,,,,,c1ccc(cc1)Oc2ccc(cn2)CO,
,,3DJ6,,,,,,,
,,,AK6:A:1,valid,,,,,COc1ccc(cc1NC(=O)CCSCc2cc3cc[nH]c3nc2)C(=O)Nc4ccccc4,
,,5OSF,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A9E:A:404,valid,,,,,CCc1ccc(cc1)OCC(=O)N2CCCCC2,
,,2WQE,,,,,,,
,,,ADP:A:1389,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6CPF,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ACP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6R4C,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,JRQ:A:507,valid,,,,,CCOC(=O)C[C@@H]1C(=O)NCCN1Cc2ccc(cc2)C,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3FDN,,,,,,,
,,,MMH:A:1,valid,ic50,=,0.033,uM,Cc1c(c([nH]n1)N/N=C/c2ccc(cc2)OC)C(=O)Nc3cccc(c3)NC(=O)C,
,,4J8M,,,,,,,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,CJ5:A:501,valid,ic50,=,48,nM,c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Nc3nccc(n3)Nc4cc([nH]n4)C5CCCC5)C(F)(F)F,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,5ORO,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A5H:A:404,valid,,,,,c1cc(ccc1C2=CSC3=NCCN23)Cl,
,,6HJJ,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,G7T:A:501,valid,ic50,=,1.7,uM,Cc1cc(ccc1c2c3c(ncnc3n(n2)C(C)C)N)NC(=O)CCC(=O)c4ccc(c(c4)C(F)(F)F)F,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,PGF:A:508,invalid,,,,,CCOCCOCCOCCOC,
,,5ORS,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A5W:A:404,valid,,,,,COc1ccccc1C2CCN(CC2)C(=O)C3CCC3,
,,5ORL,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,A4W:A:407,invalid,,,,,c1cc(c(c(c1)Cl)F)NC(=O)CCS,
,,5DR9,,,,,,,
,,,SKE:A:401,valid,,,,,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,5E2:A:402,valid,,,,,c1cc(cc(c1)Br)c2cc(c3cc(ccc3n2)Cl)C(=O)O,
,,4DEA,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,NHI:A:504,valid,ic50,=,256,nM,c1cc(ccc1C(=O)O)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O,
,,5DN3,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ATP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,5DN:A:402,valid,Kd,=,3.77,uM,c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6C2T,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EGJ:A:401,valid,,,,,C[C@H]1C[C@](CCN1Cc2cccc(c2F)Cl)(Cc3c4ccccc4cc(n3)Nc5nccs5)C(=O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,5ORP,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A5K:A:404,valid,,,,,c1c(cnc(c1Cl)N2CCCNCC2)C(F)(F)F,
,,4DEE,,,,,,,
,,,ADP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,5OSE,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A98:A:404,valid,Kd,=,681,uM,CCSc1nnc(s1)NC(=O)OC,
,,6R4B,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,JSN:A:508,valid,,,,,CC1=NC(=O)N[C@@H](C1C(=O)N(C)C)c2ccc(cc2F)F,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5DNR,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6VPJ,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6VPL,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,R7D:A:606,invalid,,,,,c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O,
,,,R7D:B:605,invalid,,,,,c1ccnc(c1)CNC(=O)[C@H](CS)NC(=O)[C@@H](c2ccc(cc2)C(F)(F)F)O,
,,,ANP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MLA:A:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,3UOD,,,,,,,
,,,0C3:A:1,valid,Kd,=,49,nM,c1ccc(c(c1)C(F)(F)F)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,3EFW,,,,,,,
,,,AK8:A:404,valid,,,,,Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F,
,,,AK8:B:404,valid,,,,,Cc1cc(ccc1Oc2c(cccn2)c3ccnc(n3)NC)NC(=O)Nc4cccc(c4)C(F)(F)F,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DT0,,,,,,,
,,,SKE:A:401,valid,,,,,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,3UO4,,,,,,,
,,,0C0:A:1,valid,Kd,=,299,nM,c1ccc(cc1)c2ccccc2Nc3ccnc(n3)Nc4ccc(cc4)C(=O)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,3UP2,,,,,,,
,,,0C8:A:1,valid,Kd,=,40,nM,c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)OC(F)(F)F,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5ORX,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A6H:A:404,valid,ic50,=,308,uM,c1cc(c(c(c1)Cl)Oc2ccc(cn2)N)Cl,
,,6VPI,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MLA:A:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5ORN,,,,,,,
,,,A5E:A:404,valid,,,,,c1cc(sc1)C2=NNC(=O)CC2,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5OS5,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,A8K:A:404,valid,Kd,=,410,uM,c1cc(ccc1O)Sc2ccc(cc2)O,
,,5DR2,,,,,,,
,,,5E1:A:401,valid,,,,,c1ccc2c(c1)c(cc(n2)c3cccc(c3)Br)C(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3DJ5,,,,,,,
,,,AK5:A:1,valid,,,,,COc1ccc(cc1NC(=O)CCSc2c(c(ncn2)N)Br)C(=O)Nc3ccccc3,
,,6R4D,,,,,,,
,,,JRW:A:505,valid,,,,,Cc1ccc2c(c1)CN[C@@]3(C[C@]2(N(C3=O)C4CCC4)O)C(C)C,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3UOL,,,,,,,
,,,0C7:A:2,valid,ic50,=,3.1,nM,c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl,
,,,0C7:B:1,valid,ic50,=,3.1,nM,c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)c4[nH]nnn4)Cl,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,3D14,,,,,,,
,,,AK1:A:1,valid,ic50,=,22,nM,c1cc(cc(c1)NC(=O)Nc2ncc(s2)CCNc3c4c(ccs4)ncn3)C(F)(F)F,
,,5OSD,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A9B:A:404,valid,,,,,c1cc(ccc1c2ccc(o2)C(=O)NN)Cl,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,5OS2,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A7K:A:404,valid,Kd,=,1821,uM,c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO,
,,4BN1,,,,,,,
,,,CA:A:1392,Part of Protein,,,,,[Ca+2],
,,,CA:A:1393,Part of Protein,,,,,[Ca+2],
,,,ADP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2NP8,,,,,,,
,,,CC3:A:394,valid,ic50,=,42,nM,c1cc(cc(c1)Nc2ccnc(n2)Nc3cccc(c3)NC(=O)C4CC4)C(F)(F)F,
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ORR,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,A5Q:A:404,valid,Kd,=,170,uM,c1cc(ccc1c2c(snn2)N)C(F)(F)F,
,,4JBQ,,,,,,,
,,,VX6:A:501,valid,,,,,Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C,
,,5OS3,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A7N:A:404,valid,,,,,CCOc1ccc(cc1)[C@@H](C)N,
,,5DRD,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5DPV,,,,,,,
,,,5DN:A:401,valid,,,,,c1cc(cc(c1)Br)c2cc(c3cccc(c3n2)F)C(=O)O,
,,,SKE:A:402,valid,,,,,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,5ORZ,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A6W:A:407,valid,Kd,=,432,uM,COC(=O)c1c(cc(s1)c2cccs2)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,4UYN,,,,,,,
,,,Y3M:A:1392,valid,ic50,=,4,nM,CCOC(=O)c1c2c(c[nH]1)[C@@H](C3=C(CCCC3=N2)O)c4ccc(o4)Sc5[nH]c6ccccc6n5,
,,5DT3,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2WTV,,,,,,,
,,,ACT:A:1392,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1393,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1392,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1393,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1400,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1393,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1394,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1392,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1393,invalid,,,,,CC(=O)[O-],
,,,DMS:A:1394,invalid,,,,,CS(=O)C,
,,,DMS:B:1391,invalid,,,,,CS(=O)C,
,,,EDO:A:1391,invalid,,,,,C(CO)O,
,,,EDO:B:1394,invalid,,,,,C(CO)O,
,,,EDO:B:1395,invalid,,,,,C(CO)O,
,,,EDO:B:1396,invalid,,,,,C(CO)O,
,,,EDO:B:1397,invalid,,,,,C(CO)O,
,,,EDO:B:1398,invalid,,,,,C(CO)O,
,,,EDO:B:1399,invalid,,,,,C(CO)O,
,,,EDO:C:1390,invalid,,,,,C(CO)O,
,,,EDO:C:1391,invalid,,,,,C(CO)O,
,,,EDO:C:1395,invalid,,,,,C(CO)O,
,,,EDO:D:1391,invalid,,,,,C(CO)O,
,,,ZZL:A:1390,valid,Ki,=,1.8,nM,c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F,
,,,ZZL:B:1390,valid,Ki,=,1.8,nM,c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F,
,,,ZZL:C:1392,valid,Ki,=,1.8,nM,c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F,
,,,ZZL:D:1390,valid,Ki,=,1.8,nM,c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F,
,,6HJK,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G7W:A:501,valid,ic50,=,25,nM,CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)/C=C/C(=O)c4ccc(c(c4)C(F)(F)F)F)c(ncn2)N,
,,3O50,,,,,,,
,,,LJE:A:1,valid,,,,,Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F,
,,,LJE:B:1,valid,,,,,Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F,
,,2J4Z,,,,,,,
,,,626:A:1389,valid,ic50,=,65,nM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5,
,,,626:B:1395,valid,ic50,=,65,nM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4cn(cc4[nH]n3)C(=O)Cc5cccs5,
,,,ARS:A:1390,invalid,,,,,[As],
,,,ARS:A:1391,invalid,,,,,[As],
,,,ARS:B:1396,invalid,,,,,[As],
,,3LAU,,,,,,,
,,,OFI:A:1,valid,ic50,=,0.044,uM,CCCC(=O)Nc1c2ccc(cc2[nH]n1)c3ccc(cc3)O,
,,3DAJ,,,,,,,
,,,FXG:A:1,valid,ic50,=,2.9,uM,CCCCNC(=O)c1cccc(c1)NC(=O)CCCCCNc2c3c([nH]cn3)ncn2,
,,4JBO,,,,,,,
,,,WPH:A:501,valid,ic50,=,24,nM,CN(C)CCOc1ccc(cc1)c2cc3c(ncnc3o2)NCCc4ccc(cc4)NC(=O)Nc5ccccc5,
,,5ORW,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A6E:A:404,valid,Kd,=,796,uM,c1cc(ccc1OCCC(=O)N2CCSCC2)F,
,,2C6D,,,,,,,
,,,ANP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1390,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5OS0,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,A6Z:A:404,valid,Kd,=,2792,uM,c1cc(cc(c1)Cl)N2CC[NH+](CC2)CC#N,
,,3K5U,,,,,,,
,,,PFQ:A:1001,valid,ic50,=,309,nM,c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO,
,Family. Representative Entry is ,4X7Q,,,,,,,
,,,3YR:A:401,valid,ic50,=,14,nM,c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F,
,,,3YR:B:401,valid,ic50,=,14,nM,c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4KS7,,,,,,,
,,,IPA:A:701,invalid,,,,,CC(C)O,
,,,7KC:A:702,valid,,,,,Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C,
,,4KS8,,,,,,,
,,,B49:A:701,valid,,,,,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,Family. Representative Entry is ,7A22,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,QWW:A:402,valid,ic50,=,1.98,uM,c12c(c(c(nc1nn[nH]2)Br)Br)Br,
,,6TEW,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,N5Q:A:401,valid,,,,,c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O,
,,5Y9M,,,,,,,
,,,SO4:X:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NIO:X:401,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:A:401,valid,,,,,c1cc(cnc1)C(=O)O,
,,7A1B,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,QXW:A:401,valid,ic50,=,2.36,uM,c1c2c(nc(c1Br)Br)nn[nH]2,
,,7A2H,,,,,,,
,,,QX2:A:401,valid,,,,,c1[nH]c2c(c(c(nc2n1)Br)Br)Br,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5M56,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,7FC:B:401,valid,,,,,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O,
,,,7FC:A:401,valid,,,,,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,5M4U,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:410,invalid,,,,,[Cl-],
,,,7FC:A:401,valid,,,,,c1cc(ccc1C2=C(C(=O)c3cc(cc(c3O2)Cl)Cl)O)C(=O)O,
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HMD,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,GDW:A:403,valid,,,,,CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CCC2,
,,6HMQ,,,,,,,
,,,TRS:A:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,4B0:A:415,valid,,,,,C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,5OOI,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,9YE:A:401,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2,
,,,9YE:B:401,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2,
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,7A1Z,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,QWN:A:401,valid,ic50,=,3.38,uM,c1c2c(nc(c1Br)Cl)nn[nH]2,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6TE2,,,,,,,
,,,N4N:A:401,valid,,,,,c1ccnc(c1)c2csc(n2)Nc3cccc(c3)C(=O)O,
,,6HMB,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,3NG:A:413,valid,,,,,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,3OFM,,,,,,,
,,,4B0:A:351,valid,,,,,C(Cn1c2c(c(c(c(c2Br)Br)Br)Br)nn1)CO,
,,,CL:A:352,invalid,,,,,[Cl-],
,,6HMC,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,FXB:A:409,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O)CCC2,
,,5YF9,,,,,,,
,,,SO4:X:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NIO:B:401,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:X:401,valid,,,,,c1cc(cnc1)C(=O)O,
,,6TGU,,,,,,,
,,,N92:A:401,valid,,,,,c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)O)C(=O)O)Cl,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2PVN,,,,,,,
,,,P63:A:501,valid,Ki,=,0.00035,uM,CC(=O)Nc1cccc(c1)Nc2nc3c(cnn3c(n2)Nc4ccccc4)C#N,
,,2PVH,,,,,,,
,,,P19:A:501,valid,Ki,=,0.26,uM,c1ccc(cc1)Nc2nc3ccnn3c(n2)Nc4ccccc4,
,,1M2P,,,,,,,
,,,HNA:A:351,valid,,,,,c1cc2c(c(c1)O)C(=O)c3c(ccc(c3C2=O)[N+](=O)[O-])O,
,,1LPU,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,2QC6,,,,,,,
,,,G12:A:1,valid,ic50,=,0.1,uM,CC1=C(C(=O)Oc2c1ccc(c2Br)O)Br,
,,4ANM,,,,,,,
,,,WUL:A:1334,valid,ic50,=,28,nM,c1cc2c(cc1Br)c3c(o2)C(=O)NC(=N3)CN4CC[C@@H](C4)O,
,,1DAW,,,,,,,
,,,ANP:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:342,Part of Protein,,,,,[Mg+2],
,,4RLK,,,,,,,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,E91:A:406,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=N/N=C/c4ccc(cc4)C(=O)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,2OXD,,,,,,,
,,,K32:A:338,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2,
,,2PVM,,,,,,,
,,,P29:A:501,valid,Ki,=,0.36,uM,c1ccc(cc1)Nc2nc3c(cnn3c(n2)NCCc4cnc[nH]4)C#N,
,,1J91,,,,,,,
,,,TBS:A:338,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2,
,,,TBS:B:338,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2,
,,3FL5,,,,,,,
,,,PEG:A:1,invalid,,,,,C(COCCO)O,
,,,TXQ:A:338,valid,,,,,c1cc(c(c2c1C(=O)c3c(ccc(c3C2=O)O)O)O)O,
,,3PWD,,,,,,,
,,,CZ0:A:1,valid,Ki,=,0.22,uM,CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O,
,,3KXH,,,,,,,
,,,K66:A:1,valid,,,,,CN(C)c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br,
,,,PEG:A:2,invalid,,,,,C(COCCO)O,
,,4DGM,,,,,,,
,,,AGI:A:406,valid,ic50,=,1.2,uM,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,3PVG,,,,,,,
,,,K68:A:1,valid,,,,,c1nc2c(n1CC(=O)O)c(c(c(c2Br)Br)Br)Br,
,,1ZOG,,,,,,,
,,,K37:A:501,valid,Ki,=,0.07,uM,CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,K37:A:502,valid,Ki,=,0.07,uM,CSc1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,2PVJ,,,,,,,
,,,P44:A:501,valid,Ki,=,0.005,uM,c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCC4CCCCC4,
,,4DGN,,,,,,,
,,,LU2:A:401,valid,ic50,=,0.35,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,1M2Q,,,,,,,
,,,MNX:A:351,valid,,,,,c1cc(c2c(c1)Oc3c(ccc(c3C2=O)O)[N+](=O)[O-])O,
,,2OXY,,,,,,,
,,,K17:A:1001,valid,,,,,c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,K17:B:1002,valid,,,,,c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,1M2R,,,,,,,
,,,MNY:A:351,valid,,,,,c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)N,
,,3KXN,,,,,,,
,,,K8X:A:1,valid,,,,,c1[nH]c2c(n1)c(c(c(c2I)I)I)I,
,,6QS5,,,,,,,
,,,JGB:A:401,valid,ic50,=,0.57,uM,c1cc(c(cc1/C=C(C#N)/C(=O)N)O)O,
,,1ZOE,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,K25:A:501,valid,Ki,=,0.04,uM,CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,2PVL,,,,,,,
,,,P55:A:501,valid,Ki,=,0.024,uM,CCN1CCN(CC1)c2nc3c(cnn3c(n2)Nc4ccccc4)C#N,
,,1LP4,,,,,,,
,,,ANP:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:342,Part of Protein,,,,,[Mg+2],
,,3KXG,,,,,,,
,,,K6X:A:1,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)[nH]nc2Br,
,,3BE9,,,,,,,
,,,P04:A:501,valid,Ki,=,24,nM,c1cc2cc(c1)NC(=O)CCCCc3cnn4c3nc(nc4NC5CC5)N2,
,,2OXX,,,,,,,
,,,K22:A:501,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)NC(=S)N2,
,,3KXM,,,,,,,
,,,K74:A:1,valid,,,,,CNC(=O)CSc1nc2c(n1C)c(c(c(c2Br)Br)Br)Br,
,,1LR4,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1OM1,,,,,,,
,,,IQA:A:338,valid,Ki,=,0.17,uM,c1ccc2c(c1)c(c3n2-c4ccccc4C(=O)N3)CC(=O)O,
,,1ZOH,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,K44:A:501,valid,Ki,=,0.1,uM,C[N@@]1CCn2c1nc3c2c(c(c(c3Br)Br)Br)Br,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,2PVK,,,,,,,
,,,P45:A:501,valid,Ki,=,0.008,uM,c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)NCc4ccc(cc4)Cl,
,,1DAY,,,,,,,
,,,GNP:A:340,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:342,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5HVJ,,,,,,,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6HMR,,,,,,,
,,,GE5:A:301,valid,ic50,=,2.36,nM,COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC,
,,,GE5:B:301,valid,ic50,=,2.36,nM,COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC,
,,,MLA:A:302,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:302,invalid,,,,,C(C(=O)O)C(=O)O,
,,4KBA,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1QM:C:401,valid,ic50,=,6,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4,
,,,1QM:A:401,valid,ic50,=,6,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4,
,,,1QM:B:401,valid,ic50,=,6,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4,
,,,1QM:D:401,valid,ic50,=,6,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3OCCNC4,
,,6HMP,,,,,,,
,,,GEW:B:301,valid,ic50,=,218,nM,Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC,
,,,GEW:A:301,valid,ic50,=,218,nM,Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5IH5,,,,,,,
,,,SRT:A:303,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,AUE:A:302,valid,ic50,=,0.5,uM,c1cc(cc(c1)Cl)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MQV,,,,,,,
,,,D5Q:C:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,D5Q:B:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,D5Q:F:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,D5Q:A:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,D5Q:E:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,D5Q:D:301,valid,ic50,=,8,nM,Cn1cc(cc1C(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)c5cc(ccc5OC)OC,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3UZP,,,,,,,
,,,0CK:A:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,,0CK:B:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,5W4W,,,,,,,
,,,SO4:A:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9WG:C:401,valid,ic50,=,8,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C,
,,,9WG:A:4001,valid,ic50,=,8,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C,
,,,9WG:D:401,valid,ic50,=,8,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C,
,,,9WG:B:4001,valid,ic50,=,8,nM,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc4c3C(=O)N(C4)C,
,,4TW9,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:1006,invalid,,,,,[Na+],
,,,NA:A:1008,invalid,,,,,[Na+],
,,,NA:A:1009,invalid,,,,,[Na+],
,,,NA:B:1005,invalid,,,,,[Na+],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,CL:A:1007,invalid,,,,,[Cl-],
,,,HSJ:A:1011,invalid,,,,,CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O,
,,,HSJ:A:1005,invalid,,,,,CCCCCCCCO[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O,
,,,386:A:1010,valid,ic50,=,0.02,uM,c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F,
,,,386:B:1007,valid,ic50,=,0.02,uM,c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc5c(cc4n3)OC(O5)(F)F)OC(F)(F)F,
,,5X17,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:B:306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GZM,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:1001,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LCI:A:1004,valid,,,,,Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4,
,,,LCI:B:1003,valid,,,,,Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4,
,,5IH6,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SRT:A:302,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,AUG:A:305,valid,ic50,=,2.5,uM,c1cc(cc(c1)Br)c2c(nc3c(n2)c(nc(n3)N)N)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3UYT,,,,,,,
,,,0CK:A:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,,0CK:B:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,,0CK:C:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,,0CK:D:295,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCCCC3)c4ccnc(n4)N)F,
,,,SO4:A:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KB8,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1QN:A:401,valid,ic50,=,12.9,nM,CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C,
,,,1QN:C:401,valid,ic50,=,12.9,nM,CNCc1cc(ccn1)c2cn(nc2c3ccc(cc3)F)C,
,,,1QO:B:401,invalid,,,,,c1ccc(cc1)CNc2nccc(n2)c3cccnc3,
,,,1QO:D:401,invalid,,,,,c1ccc(cc1)CNc2nccc(n2)c3cccnc3,
,,4KBK,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1QG:D:401,valid,,,,,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4,
,,,1QG:A:401,valid,,,,,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4,
,,,1QG:B:401,valid,,,,,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4,
,,,1QG:C:401,valid,,,,,Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)[C@H]4COCCN4,
,,4KBC,,,,,,,
,,,1QJ:B:401,valid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F,
,,,1QJ:A:401,valid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccnc(c3)CO)F,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,6F26,,,,,,,
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9Z:A:314,valid,ic50,=,0.024,uM,CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC,
,,,C9Z:B:307,valid,ic50,=,0.024,uM,CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@H]6[C@@H]([C@@H](CN6C5)O)O)c7ccc(cc7)OC,
,,4TWC,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,37J:B:1008,valid,,,,,c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F,
,,,37J:A:1007,valid,,,,,c1ccc(c(c1)C(=O)Nc2nc(cs2)C(=O)Nc3[nH]c4cc(ccc4n3)C(F)(F)F)OC(F)(F)F,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:1007,invalid,,,,,CS(=O)C,
,,,BOG:A:1008,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1006,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4HNF,,,,,,,
,,,16W:A:301,valid,ic50,=,711,nM,c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N,
,,,16W:B:301,valid,ic50,=,711,nM,c1cc(cc(c1)Cl)OCc2c3c(ncnc3n(n2)C4CCOCC4)N,
,Family. Representative Entry is ,4Y8D,,,,,,,
,,,49J:B:401,valid,Kd,=,0.0089,uM,COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2,
,,,49J:A:401,valid,Kd,=,0.0089,uM,COc1cc(ccc1N)c2cc3c(c(sn3)N4CCOCC4)nc2,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,4C58,,,,,,,
,,,EDO:A:1335,invalid,,,,,C(CO)O,
,,,EDO:B:1129,invalid,,,,,C(CO)O,
,,,EDO:A:1334,invalid,,,,,C(CO)O,
,,,824:A:1336,valid,,,,,c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O,
,Family. Representative Entry is ,5DMZ,,,,,,,
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,ADP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4R8Q,,,,,,,
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:A:1503,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4QPM,,,,,,,
,,,MG:B:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:A:1503,Part of Protein,,,,,[Mg+2],
,,,CL:B:1505,invalid,,,,,[Cl-],
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:B:1504,invalid,,,,,[Cl-],
,,,ADP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4XV1,,,,,,,
,,,904:A:801,valid,ic50,=,0.0042,uM,CCN(C)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4cnc(nc4)C5CC5)F,
,,4XV2,,,,,,,
,,,P06:B:801,valid,ic50,=,0.00539,uM,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,
,,,P06:A:801,valid,ic50,=,0.00539,uM,CC(C)(C)c1nc(c(s1)c2ccnc(n2)N)c3cccc(c3F)NS(=O)(=O)c4c(cccc4F)F,
,,3OG7,,,,,,,
,,,032:A:1,valid,,,,,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F,
,,4XV9,,,,,,,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1OO:A:801,valid,ic50,=,0.19,uM,c1cc(ccc1C(F)(F)F)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c[nH]c4c3cc(cn4)Cl)F,
,,6P3D,,,,,,,
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,0LI:A:1001,valid,ic50,=,14,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,NH4:A:1010,invalid,,,,,[NH4+],
,,6N0Q,,,,,,,
,,,K7S:A:801,valid,ic50,=,0.04,uM,Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F,
,,,K7S:B:801,valid,ic50,=,0.04,uM,Cc1ccc(cc1c2ccc3c(c2)NC(=O)N3C)NC(=O)c4cccc(c4)C(F)(F)F,
,,5ITA,,,,,,,
,,,6DC:B:801,valid,,,,,CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C,
,,,6DC:A:801,valid,,,,,CCCS(=O)(=O)Nc1cccc(c1C#N)Nc2ccc3c(c2)C(=O)N(C=N3)C,
,,5JRQ,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,DMS:B:802,invalid,,,,,CS(=O)C,
,,,6N9:A:801,valid,,,,,CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O,
,,,6N9:B:801,valid,,,,,CCCS(Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OC)F)(O)O,
,,,TMA:A:804,invalid,,,,,C[N+](C)(C)C,
,,,TMA:B:803,invalid,,,,,C[N+](C)(C)C,
,Family. Representative Entry is ,4A4X,,,,,,,
,,,JUP:A:1280,valid,ic50,=,0.059,uM,C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C,
,,5M51,,,,,,,
,,,NU6:A:301,valid,ic50,=,19,uM,c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)C(=O)N,
,,2XKD,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,T3M:A:1280,valid,ic50,=,2.3,uM,COc1cc(cc(c1OC)OC)c2cnc(c(n2)c3ccc(cc3)C(=O)O)N,
,,2XNO,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,DMS:A:1293,invalid,,,,,CS(=O)C,
,,,ED8:A:1280,valid,ic50,=,1.18,uM,CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C(=O)N)OCc5ccccc5C(F)(F)F,
,,,EDO:A:1283,invalid,,,,,C(CO)O,
,,,EDO:A:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1294,invalid,,,,,C(CO)O,
,,,EDO:A:1295,invalid,,,,,C(CO)O,
,,,GOL:A:1292,invalid,,,,,C(C(CO)O)O,
,,2W5B,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,MG:A:1282,invalid,,,,,[Mg+2],
,,,AGS:A:1280,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,5M57,,,,,,,
,,,4SP:A:301,valid,ic50,=,12,uM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,2XK4,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,CL:A:1285,invalid,,,,,[Cl-],
,,,CL:A:1286,invalid,,,,,[Cl-],
,,,OL2:A:1280,valid,ic50,=,16.9,uM,CCOc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N,
,,2XKC,,,,,,,
,,,4VQ:A:1280,valid,ic50,=,2.6,uM,Cc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,2XK3,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,XK3:A:1280,valid,,,,,CCc1ccsc1c2cnc(c(n2)C3CCC(CC3)C(=O)O)N,
,,2XNP,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1288,invalid,,,,,[Cl-],
,,,EDO:A:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,WCX:A:1280,valid,ic50,=,0.36,uM,C[C@H](c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)n3cnc4c3ccc(c4)OC5CCN(CC5)C,
,,2XK6,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,EQH:A:1280,valid,,,,,c1csc(c1C2CC2)c3cnc(c(n3)C4CCC(CC4)C(=O)O)N,
,,2W5A,,,,,,,
,,,ADP:A:1280,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:1282,invalid,,,,,C(CO)O,
,,,EDO:A:1283,invalid,,,,,C(CO)O,
,,,EDO:A:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,MG:A:1281,invalid,,,,,[Mg+2],
,,5M55,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7GG:A:301,valid,ic50,=,0.24,uM,CCN(CC)/C=Cc1c2c(nc[nH]2)nc(n1)Nc3ccccc3,
,,,CL:A:305,invalid,,,,,[Cl-],
,,6SK9,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,F9N:A:301,valid,ic50,=,1.42,uM,CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,2XNM,,,,,,,
,,,CL:A:1289,invalid,,,,,[Cl-],
,,,CL:A:1290,invalid,,,,,[Cl-],
,,,CL:A:1292,invalid,,,,,[Cl-],
,,,EDO:A:1281,invalid,,,,,C(CO)O,
,,,EDO:A:1282,invalid,,,,,C(CO)O,
,,,EDO:A:1283,invalid,,,,,C(CO)O,
,,,EDO:A:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,TRS:A:1291,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,WGZ:A:1280,valid,ic50,=,0.16,uM,C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cc(cc4)OC5CCN(CC5)C,
,,2XKF,,,,,,,
,,,BX1:A:1280,valid,ic50,=,0.87,uM,COc1cc(cc(c1OC)OC)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,2JAV,,,,,,,
,,,5Z5:A:1280,valid,ic50,~,8,uM,Cc1c([nH]c(c1C(=O)NC)C)C=C/2c3cc(ccc3NC2=O)Cl,
,,5M53,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:310,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,7GJ:A:301,valid,ic50,=,0.62,uM,CN(C)C(=O)c1cccc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,2XK8,,,,,,,
,,,5R1:A:1280,valid,ic50,=,2.4,uM,COc1cc(ccc1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,2WQO,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,VGK:A:1280,valid,,,,,COc1cc(cc(c1OC)OC)c2cc(c(nc2)N)c3ccc(cc3)C(=O)O,
,,2XKE,,,,,,,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,WI2:A:1280,valid,ic50,=,4.2,uM,COc1cccc(c1)c2cnc(c(n2)N3CCC(CC3)C(=O)O)N,
,,2XNN,,,,,,,
,,,430:A:1280,valid,,,,,C[C@H](c1ccccc1C(F)(F)F)Oc2cc(sc2C(=O)N)n3cnc4c3cccc4,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,CL:A:1291,invalid,,,,,[Cl-],
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,2XK7,,,,,,,
,,,30E:A:1280,valid,ic50,=,1.5,uM,CC[C@H]1C[N@@](CC[C@H]1C(=O)O)c2c(ncc(n2)c3cc(c(c(c3)OC)OC)OC)N,
,,,CL:A:1281,invalid,,,,,[Cl-],
,,,CL:A:1282,invalid,,,,,[Cl-],
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,CL:A:1285,invalid,,,,,[Cl-],
,,,CL:A:1286,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2HY0,,,,,,,
,,,306:A:324,valid,ic50,=,0.65,nM,c1cc2c(cc1CN3CCCCC3)cc([nH]2)C4=Cc5cc(ccc5NC4=O)c6c[nH]nc6,
,Family. Representative Entry is ,2R5T,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4QMN,,,,,,,
,,,DB8:A:401,valid,ic50,=,0.003,uM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,4QMP,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,DKI:A:402,valid,ic50,=,0.014,uM,c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,4U8Z,,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,3FE:A:302,valid,,,,,c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCOCC4)C#N,
,,4QMX,,,,,,,
,,,H8H:A:401,valid,ic50,=,11,uM,CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl,
,,4QMT,,,,,,,
,,,H1N:A:401,valid,ic50,=,0.01,uM,CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,4QMM,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,35R:A:401,valid,ic50,=,0.46,uM,c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5,
,,,CL:A:406,invalid,,,,,[Cl-],
,,4QMU,,,,,,,
,,,SKE:A:401,valid,ic50,=,1.3,uM,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,4W8E,,,,,,,
,,,3JB:A:500,valid,,,,,Cc1nc(no1)[C@H]2CN(CCO2)c3c4c(c[nH]c4ncn3)c5cccc(c5)C#N,
,,4QMZ,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,B49:A:401,valid,ic50,=,0.21,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,4QNA,,,,,,,
,,,X11:A:401,valid,ic50,=,0.023,uM,c1ccc(c(c1)c2nc(nc(n2)N)N)O,
,,4QMO,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,34L:A:402,valid,ic50,=,0.019,uM,c1cc2c(c3c1ncs3)/C(=C/c4cnc[nH]4)/C(=O)N2,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,4QMW,,,,,,,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,KS1:A:401,valid,ic50,=,0.086,uM,c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,3A7H,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4QML,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,ANP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4QO9,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,627:A:404,valid,ic50,=,0.16,uM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC,
,,,627:B:404,valid,ic50,=,0.16,uM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:402,invalid,,,,,C(COCCOCCO)O,
,,,DMS:B:401,invalid,,,,,CS(=O)C,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,4QMQ,,,,,,,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,34U:A:401,valid,ic50,=,0.26,uM,COCCOc1ccc2c(c1)ncn2c3ccc4cccc(c4n3)N5CCC(CC5)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,4QMY,,,,,,,
,,,STU:A:401,valid,ic50,=,0.004,uM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,3A7J,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,4W8D,,,,,,,
,,,3JA:A:500,valid,,,,,Cn1cc(cn1)c2c[nH]c3c2c(ncn3)N4CCOCC4,
,,4QMS,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,1N1:A:401,valid,ic50,=,7.4,uM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,4QMV,,,,,,,
,,,34W:A:401,valid,ic50,=,0.023,uM,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,3A7I,,,,,,,
,,,ADE:A:500,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,4NW6,,,,,,,
,,,2NS:A:1001,valid,ic50,=,0.004,uM,COc1cc(cc(c1OC)OC)Nc2nc3cccc(c3o2)c4cccc5c4[nH]cn5,
,,3UBD,,,,,,,
,,,SL0:A:400,valid,Kd,=,2.9,uM,CC1C(C(C(C(O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)OC(=O)C)OC(=O)C,
,,4GUE,,,,,,,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,QCT:A:401,valid,Kd,=,5.8,uM,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)O)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G51,,,,,,,
,,,ANP:A:480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4NUS,,,,,,,
,,,2NK:A:1001,valid,ic50,=,0.005,uM,CN1CCN(CC1)c2ccc(cc2)c3ccncc3c4cc(c(c(c4)F)O)F,
,,4NW5,,,,,,,
,,,2NR:A:1001,valid,ic50,=,0.02,uM,COc1cccc(c1c2cccc3c2oc(n3)Nc4cc(c(c(c4)OC)OC)OC)F,
,,4EL9,,,,,,,
,,,AFE:A:400,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(cc4)O)O)O)O,
,,5D9L,,,,,,,
,,,583:A:1001,valid,ic50,=,0.024,uM,c1cc(ccc1c2c[nH]nc2c3ccc(cc3)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6N3O,,,,,,,
,,,KA7:A:2500,valid,ic50,=,2.4,nM,COc1c(cc(cn1)Cl)S(=O)(=O)Nc2ccc(c(c2F)C#Cc3cnc(nc3)N)F,
,Family. Representative Entry is ,4G31,,,,,,,
,,,0WH:A:1102,valid,ic50,=,0.4,nM,Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cccc(c5)C(F)(F)F,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,4X7H,,,,,,,
,,,3Z2:A:1101,valid,,,,,CN1C(=C(C(=O)N1c2ccccc2)C(=O)Nc3ccc(cn3)Oc4ccnc5c4cc(c(c5)OC)OC)c6ccncc6,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X7J,,,,,,,
,,,3Z1:A:1101,valid,ic50,=,41,nM,Cc1ccc(c(c1c2ccc3c(c2)cnc(n3)NC)N)C(=O)Nc4ccc(c(c4)C(F)(F)F)OC,
,,,TLA:A:1102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4X7K,,,,,,,
,,,TLA:A:1102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,3Z3:A:1101,valid,ic50,=,4,nM,Cc1ccc(c(c1c2ccc3c(c2F)cnc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6,
,,4X7L,,,,,,,
,,,TLA:A:1102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,3Z4:A:1101,valid,ic50,=,9,nM,Cc1ccc(c(c1c2ccc3c(c2)sc(n3)NC)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,4X7N,,,,,,,
,,,TLA:A:1102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,3Z5:A:1101,valid,ic50,=,6,nM,Cc1ccc(c(c1c2ccc3c(c2)ccc(n3)C)N)C(=O)C4=C(N(N(C4=O)c5ccccc5)C)c6ccccc6,
,Family. Representative Entry is ,3ORK,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MN:A:341,Part of Protein,,,,,[Mn+2],
,,,SO4:A:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:344,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1O6Y,,,,,,,
,,,ACP:A:1279,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:1280,Part of Protein,,,,,[Mg+2],
,,,MG:A:1281,Part of Protein,,,,,[Mg+2],
,,3F61,,,,,,,
,,,ADP:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:310,Part of Protein,,,,,[Mg+2],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,MG:A:312,Part of Protein,,,,,[Mg+2],
,,,MG:A:313,Part of Protein,,,,,[Mg+2],
,,3ORP,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,3ORM,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MN:A:341,Part of Protein,,,,,[Mn+2],
,,3ORO,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,NHE:A:334,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,3ORI,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:440,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:540,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:640,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MN:A:341,Part of Protein,,,,,[Mn+2],
,,,MN:A:342,Part of Protein,,,,,[Mn+2],
,,,MN:B:441,Part of Protein,,,,,[Mn+2],
,,,MN:B:442,Part of Protein,,,,,[Mn+2],
,,,MN:C:541,Part of Protein,,,,,[Mn+2],
,,,MN:C:542,Part of Protein,,,,,[Mn+2],
,,,MN:D:641,Part of Protein,,,,,[Mn+2],
,,,MN:D:642,Part of Protein,,,,,[Mn+2],
,,3ORT,,,,,,,
,,,AGS:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MES:A:343,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6YA7,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ADP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6AC9,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,ANP:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,invalid,,,,,[Mg+2],
,,,MG:B:406,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4N84,,,,,,,
,,,SER:A:230,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:B:230,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,GLY MKD LEU ASP MKD LEU ASP LEU ALA SER:C:421,valid,Kd,=,41,nM,O=C(NC(C(=O)NC(C(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)C)CC(C)C)CC(=O)[O-])CC(C)C)(CCCCCC)C)CC(=O)[O-])CC(C)C)C(NC(=O)C[NH3+])(CCCCCC)C,
,,,GLY MKD LEU ASP MKD LEU ASP LEU ALA SER:E:421,valid,Kd,=,41,nM,O=C(NC(C(=O)NC(C(=O)NC(C(O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)C)CC(C)C)CC(=O)[O-])CC(C)C)(CCCCCC)C)CC(=O)[O-])CC(C)C)C(NC(=O)C[NH3+])(CCCCCC)C,
,,1QJB,,,,,,,
,,,ALA ARG SER HIS SEP TYR PRO ALA:Q:3,valid,Ki,=,416,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C)CCC1)Cc1ccc(O)cc1)([O-])[O-],
,,,ALA ARG SER HIS SEP TYR PRO ALA:S:4,valid,Ki,=,416,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CO)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C)CCC1)Cc1ccc(O)cc1)([O-])[O-],
,,6FNA,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,BEZ:A:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,DWE:A:301,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,,DWE:B:301,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCOCCOCCOCCC(=O)NCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,,CA:A:303,invalid,,,,,[Ca+2],
,,,CA:B:303,invalid,,,,,[Ca+2],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,1QJA,,,,,,,
,,,ARG LEU TYR HIS SEP LEU PRO ALA:Q:3,valid,Kd,=,416,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc1ccc(O)cc1)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C)CCC1)CC(C)C)([O-])[O-],
,,,ARG LEU TYR HIS SEP LEU PRO ALA:R:3,valid,Kd,=,416,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc1ccc(O)cc1)Cc1nc[nH]c1)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)C)CCC1)CC(C)C)([O-])[O-],
,,6FNC,,,,,,,
,,,BEZ:A:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,DWK:B:301,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,,DWK:A:301,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2ccc(cc2)C(=O)NCCCOCCOCCOCCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,,CA:A:304,invalid,,,,,[Ca+2],
,,,CA:B:304,invalid,,,,,[Ca+2],
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,6FN9,,,,,,,
,,,BEZ:A:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,DW8:A:301,valid,ic50,=,284,uM,CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O,
,,,DW8:B:301,valid,ic50,=,284,uM,CCCNC(=O)CCOCCOCCOCCNC(=O)c1cccc(c1)NC(=O)COc2ccccc2P(=O)(O)O,
,,2C1N,,,,,,,
,,,ALA ARG LYS SEP THR GLY GLY LYS:C:7,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C=O)CCCC[NH3+])C(O)C)([O-])[O-],
,,,ALA ARG LYS SEP THR GLY GLY LYS:E:7,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C=O)CCCC[NH3+])C(O)C)([O-])[O-],
,,2V7D,,,,,,,
,,,LYS SER ALA TPO THR THR VAL MET ASN PRO:P:755,valid,Kd,=,261,nM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(C)C)C(O)C)C(O)C)C)([O-])[O-],
,,,LYS SER ALA TPO THR THR VAL MET ASN PRO:Q:755,valid,Kd,=,261,nM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(C)C)C(O)C)C(O)C)C)([O-])[O-],
,,,LYS SER ALA TPO THR THR VAL MET ASN PRO:R:755,valid,Kd,=,261,nM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(C)C)C(O)C)C(O)C)C)([O-])[O-],
,,,LYS SER ALA TPO THR THR VAL MET ASN PRO:S:755,valid,Kd,=,261,nM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(C)C)C(O)C)C(O)C)C)([O-])[O-],
,,6FNB,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,BEZ:A:301,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:301,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,CA:A:303,invalid,,,,,[Ca+2],
,,,CA:B:304,invalid,,,,,[Ca+2],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,DWQ:A:306,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,,DWQ:B:307,valid,,,,,c1ccc(c(c1)OCC(=O)Nc2cccc(c2)C(=O)NCCOCCCCCOCCC(=O)NCCCOCCOCCOCCCNC(=O)CCOCCOCCOCCNC(=O)c3cccc(c3)NC(=O)COc4ccccc4P(=O)(O)O)P(=O)(O)O,
,,3NKX,,,,,,,
,,,GLN ARG SER THR SEP THR PRO ASN VAL HIS:P:256,valid,Kd,=,7.5,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)C(O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(=O)N)CCC1)C(O)C)([O-])[O-],
,,,GLN ARG SER THR SEP THR PRO ASN VAL HIS:Q:256,valid,Kd,=,7.5,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)C(O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(=O)N)CCC1)C(O)C)([O-])[O-],
,,,PPI:A:247,invalid,,,,,CCC(=O)O,
,Family. Representative Entry is ,2Z6C,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4EES,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4EET,,,,,,,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4NXE,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4EER,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4NXG,,,,,,,
,,,FMN:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4NXF,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4EEP,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4EEU,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2XK9,,,,,,,
,,,XK9:A:1511,valid,ic50,=,0.03,nM,C/C(=NNC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-],
,,2YCQ,,,,,,,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,UPX:A:600,valid,ic50,=,0.14,nM,C/C(=NNc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-],
,,2W7X,,,,,,,
,,,D1A:A:601,valid,ic50,=,24,nM,[H]/N=C(N)/N/N=C(C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-],
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,4A9U,,,,,,,
,,,A9U:A:1516,valid,,,,,c1ccc(cc1)CN2CCC(CC2)COc3ccc(cc3)c4[nH]c5cc(ccc5n4)C(=O)N,
,,,CL:A:1525,invalid,,,,,[Cl-],
,,,EDO:A:1515,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,EDO:A:1518,invalid,,,,,C(CO)O,
,,,EDO:A:1519,invalid,,,,,C(CO)O,
,,,EDO:A:1520,invalid,,,,,C(CO)O,
,,,EDO:A:1521,invalid,,,,,C(CO)O,
,,,EDO:A:1522,invalid,,,,,C(CO)O,
,,,EDO:A:1523,invalid,,,,,C(CO)O,
,,,EDO:A:1524,invalid,,,,,C(CO)O,
,,,NO3:A:1514,invalid,,,,,[N+](=O)([O-])[O-],
,,2YCF,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,YCF:A:600,valid,ic50,=,0.03,nM,[H]/N=C(N/N=C(C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/O)/N)/C)/NO,
,,4BDI,,,,,,,
,,,EDO:A:1525,invalid,,,,,C(CO)O,
,,,EDO:A:1521,invalid,,,,,C(CO)O,
,,,EDO:A:1524,invalid,,,,,C(CO)O,
,,,EDO:A:1523,invalid,,,,,C(CO)O,
,,,EDO:A:1522,invalid,,,,,C(CO)O,
,,,EDO:A:1520,invalid,,,,,C(CO)O,
,,,EDO:A:1519,invalid,,,,,C(CO)O,
,,,NO3:A:1517,invalid,,,,,[N+](=O)([O-])[O-],
,,,CL:A:1518,invalid,,,,,[Cl-],
,,,HAU:A:1516,valid,ic50,=,227.7,uM,Cc1ccc(nc1)NC(=O)C2CCN(CC2)C(=O)C,
,,2YCR,,,,,,,
,,,HCW:A:600,valid,ic50,=,69.6,nM,C/C(=NNC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc(cc3)/C(=N/NC4=NCCN4)/C,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,2WTJ,,,,,,,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,EDO:A:1518,invalid,,,,,C(CO)O,
,,,EDO:A:1519,invalid,,,,,C(CO)O,
,,,NO3:A:1514,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1515,invalid,,,,,[N+](=O)([O-])[O-],
,,,WTJ:A:1513,valid,ic50,=,0.7,uM,CN(C)CCNC(=O)c1cc(cnc1N)c2c3c(cs2)OCCO3,
,,4BDB,,,,,,,
,,,EDO:A:1514,invalid,,,,,C(CO)O,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,EDO:A:1518,invalid,,,,,C(CO)O,
,,,EDO:A:1521,invalid,,,,,C(CO)O,
,,,EDO:A:1523,invalid,,,,,C(CO)O,
,,,EDO:A:1520,invalid,,,,,C(CO)O,
,,,EDO:A:1522,invalid,,,,,C(CO)O,
,,,EDO:A:1519,invalid,,,,,C(CO)O,
,,,ODO:A:1515,valid,ic50,=,85.6,uM,C/C(=NO)/c1ccc(cc1O)O,
,,,NO3:A:1513,invalid,,,,,[N+](=O)([O-])[O-],
,,2YIT,,,,,,,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,YIT:A:600,valid,ic50,=,0.29,nM,CCC/C(=NNC(=N)N)/c1ccc(cc1)NC(=O)c2cc3cc(ccc3[nH]2)OC,
,,2W0J,,,,,,,
,,,NO3:A:1512,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZAT:A:1511,valid,ic50,=,240,nM,[H]/N=C(N)/N/N=C(C)/c1ccc(cc1)NC(=O)Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C,
,,2YCS,,,,,,,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NXP:A:600,valid,ic50,=,1.36,nM,C/C(=NNC(=N)N)/c1ccc(cc1)NC(=O)c2c[nH]c3c2cccc3,
,,2WTI,,,,,,,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,NO3:A:1514,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1515,invalid,,,,,[N+](=O)([O-])[O-],
,,,WTI:A:1513,valid,ic50,=,0.092,uM,c1cc(ccc1c2cc(cnc2N)c3c4c(cs3)OCCO4)C(=O)N,
,,2YIR,,,,,,,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,YIR:A:600,valid,ic50,=,0.17,nM,[H]/N=C(N)/N/N=C/1CCCc2c1ccc(c2)NC(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-],
,,2XBJ,,,,,,,
,,,MG:A:1514,invalid,,,,,[Mg+2],
,,,NO3:A:1515,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1516,invalid,,,,,[N+](=O)([O-])[O-],
,,,XBJ:A:1513,valid,ic50,=,0.003,uM,CC(C)([C@@H]1CNC[C@H]1Nc2c3cc(c(cc3nc(n2)c4cc(ccc4O)F)OC)OC)O,
,,2XM9,,,,,,,
,,,LWH:A:1513,valid,ic50,=,0.009,uM,c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N[C@H]5CCNC5,
,,,NO3:A:1514,invalid,,,,,[N+](=O)([O-])[O-],
,,2YIQ,,,,,,,
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,YIQ:A:600,valid,ic50,=,12.67,nM,C/C(=NNC(=N)N)/c1ccc2c(c1)cc([nH]2)C(=O)Nc3ccc4cc[nH]c4c3,
,,2CN5,,,,,,,
,,,ADP:A:1509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,MG:A:1506,Part of Protein,,,,,[Mg+2],
,,,MG:A:1507,Part of Protein,,,,,[Mg+2],
,,,NO3:A:1508,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6ES0,,,,,,,
,,,BW8:A:401,valid,ic50,=,2.26,uM,CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O,
,,,BW8:B:401,valid,ic50,=,2.26,uM,CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)F)SCC(=O)O,
,Family. Representative Entry is ,4TL6,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ANP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,4TLA,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4TL7,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,SO4:F:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4TL8,,,,,,,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,AGS:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,4TLC,,,,,,,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,4TL9,,,,,,,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,4TLB,,,,,,,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,AGS:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,4TLE,,,,,,,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,4TLD,,,,,,,
,,,AGS:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:F:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:E:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4BFM,,,,,,,
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5DRB,,,,,,,
,,,5FJ:A:501,valid,Kd,=,3.71,nM,CC(C)(C)NC(=O)c1cncn1C2CCN(CC2)c3ccc(cn3)c4nnc(o4)C(F)(F)F,
,,5WDY,,,,,,,
,,,MN:A:903,invalid,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:904,Part of Protein,,,,,[Mn+2],
,,,A6S:B:503,valid,,,,,COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5,
,,,A6S:A:902,valid,,,,,COc1cccc(c1)c2cc(ccn2)n3cc(c4c3cc(cc4)F)CNCC5CCCCC5,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5TF9,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,7AV:B:501,valid,Kd,=,4.4,uM,CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl,
,,,7AV:A:501,valid,Kd,=,4.4,uM,CNc1nc(cs1)c2ccc3c(c2)CCN3C(=O)c4ccccc4OCc5ccc(cc5)Cl,
,,,ANP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,5WE8,,,,,,,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,ANP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,A7Y:A:503,valid,,,,,CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC,
,,,A7Y:B:503,valid,,,,,CN([C@@H]1CCN(C1)Cc2ccc(cc2)Cl)C(=O)c3cc(nc4c3cccc4)c5cccc(c5)OC,
,Family. Representative Entry is ,4BTK,,,,,,,
,,,DMS:A:1336,invalid,,,,,CS(=O)C,
,,,DTQ:A:1337,valid,Kd,=,0.24,uM,COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O,
,,4BTJ,,,,,,,
,,,PO4:A:1339,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1339,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:1337,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1338,valid,Kd,=,25,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5IH9,,,,,,,
,,,6BF:A:401,valid,Kd,=,0.002,uM,CN1CCN(CC1)c2ccc(cc2)n3cc(cn3)c4ccncc4OCC5CCNCC5,
,,6GVX,,,,,,,
,,,TAK:B:402,valid,Ki,=,24,nM,c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5,
,,,TAK:A:402,valid,Ki,=,24,nM,c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,5MAI,,,,,,,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,5U5:A:402,valid,,,,,CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/c3ccccc3)Nc4ccc(cc4)CN(C)C,
,,5IH8,,,,,,,
,,,6BJ:A:401,valid,ic50,=,0.18,uM,c1ccnc(c1)CNC(=O)c2ccc(cc2)n3cc(cn3)c4ccncc4,
,,5MAH,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,7KD:A:401,valid,,,,,CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F,
,,,NA:A:405,invalid,,,,,[Na+],
,,,NA:A:404,invalid,,,,,[Na+],
,,5TWL,,,,,,,
,,,H91:A:4000,valid,ic50,=,10.5,nM,CN(C)CC1CCC(CC1)N2c3c4cc(ccc4ncc3CNC2=O)c5cc(c(c(c5)Cl)O)Cl,
,,5IHA,,,,,,,
,,,6BE:A:401,valid,ic50,=,0.41,uM,CC(C)COc1cnccc1c2cnn(c2)c3ccc(cc3)N4CCN(CC4)C,
,,4BKZ,,,,,,,
,,,1WS:A:1335,valid,ic50,=,0.027,uM,c1cc(cc(c1)F)Nc2c-3c(n[nH]2)CCc4c3[nH]nc4C(=O)NCCCN,
,,4BKY,,,,,,,
,,,UNX:A:1335,invalid,,,,,*,
,,,82B:A:1334,valid,ic50,=,0.012,uM,Cn1cc(cc1C(=O)Nc2c3c(n[nH]2)C4(CC4)N(C3)C(=O)N[C@H](CN5CCCC5)c6ccccc6)Br,
,,5M5A,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,KSA:A:404,valid,,,,,C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O,
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:A:402,invalid,,,,,[Na+],
,,5K00,,,,,,,
,,,6PV:A:401,valid,ic50,=,7,nM,COc1cccc(c1)Nc2ncc(c(n2)OCC3CCNCC3)c4ccc(cc4)C(=O)NCC(=O)Nc5ccccc5,
,,5MAG,,,,,,,
,,,7KC:A:401,valid,,,,,Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,5IHC,,,,,,,
,,,6BB:A:401,valid,ic50,=,0.013,uM,c1ccc(c(c1)n2cc(cn2)c3ccncc3OCC4CCNCC4)F,
,Family. Representative Entry is ,6N0P,,,,,,,
,,,K81:B:801,valid,Kd,=,1.3,nM,Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F,
,,,K81:A:801,valid,Kd,=,1.3,nM,Cc1ccc(cc1c2cc(nc(c2)OCCO)N3CCOCC3)NC(=O)c4ccnc(c4)C(F)(F)F,
,,5VAM,,,,,,,
,,,92J:A:801,valid,,,,,Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5,
,,,92J:B:801,valid,,,,,Cc1c(cc(cn1)NC(=O)c2cccc(c2)C(F)(F)F)c3cc(c(nc3)OC4CCOCC4)N5CCOCC5,
,,5JSM,,,,,,,
,,,CL:D:802,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,CL:B:808,invalid,,,,,[Cl-],
,,,EOH:B:804,invalid,,,,,CCO,
,,,EOH:A:805,invalid,,,,,CCO,
,,,EOH:B:805,invalid,,,,,CCO,
,,,DMS:A:801,invalid,,,,,CS(=O)C,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,,DMS:B:802,invalid,,,,,CS(=O)C,
,,,DMS:C:802,invalid,,,,,CS(=O)C,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,DMS:D:801,invalid,,,,,CS(=O)C,
,,,BEN:A:804,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:807,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,6NB:B:801,valid,ic50,=,260,nM,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F,
,,,6NB:C:801,valid,ic50,=,260,nM,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)OCCOCCOCCOc5ccc(cc5)c6cc7c(c[nH]c7nc6)C(=O)c8c(ccc(c8F)NS(=O)(=O)CCC)F)F,
,,4CQE,,,,,,,
,,,CQE:A:1721,valid,Kd,<,3,nM,CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F,
,,,CQE:B:1721,valid,Kd,<,3,nM,CC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F,
,,5VAL,,,,,,,
,,,92D:A:801,valid,,,,,Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C,
,,,92D:B:801,valid,,,,,Cc1ccc(cc1c2cc(ncn2)N3CCOCC3)C(=O)Nc4cccc(c4)C(C)(C)C,
,,5HID,,,,,,,
,,,PEG:B:802,invalid,,,,,C(COCCO)O,
,,,PEG:A:802,invalid,,,,,C(COCCO)O,
,,,B1E:A:801,valid,,,,,Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N,
,,,B1E:B:801,valid,,,,,Cc1ccc(cc1Nc2ccc3c(c2)C(=O)N(C=N3)C)NC(=O)c4cccc(c4)C(C)(C)C#N,
,Family. Representative Entry is ,4EUU,,,,,,,
,,,BX7:A:401,valid,,,,,c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I,
,,,BX7:B:401,valid,,,,,c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCNC(=O)c4cccs4)I,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5E12,,,,,,,
,,,FLC:A:701,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3MVH,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,WFE:A:999,valid,ic50,=,0.5,nM,CCc1c[nH]c2c1c(ncn2)N3CC[C@@](C3)(CNC(=O)c4ccc(cc4F)F)N,
,,6CCY,,,,,,,
,,,EX4:A:501,valid,ic50,=,0.003,uM,C[C@@H]1CC(=O)Nc2c1c(ncn2)N3CCC(CC3)c4nc(cn4CCN5CCCC5)c6ccc(c(c6)C(F)(F)F)F,
,,3QKK,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,SMH:A:1,valid,,,,,CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC(=O)c3cc(ccc3O2)O)O)S(=O)(=O)c4c(cccc4C)C,
,,6NPZ,,,,,,,
,,,GLY ARG PRO ARG THR THR ZXW PHE ALA GLU:G:1,valid,,,,,S(P(=O)(OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])[O-])CC(=O)NCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])C)Cc1ccccc1,
,,,GLY ARG PRO ARG THR THR ZXW PHE ALA GLU:F:1,valid,,,,,S(P(=O)(OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])[O-])CC(=O)NCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])C)Cc1ccccc1,
,,,MN:F:101,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:G:501,Part of Protein,,,,,[Mn+2],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,VO4:B:502,invalid,,,,,[O-][V](=O)([O-])[O-],
,,4EKL,,,,,,,
,,,0RF:A:501,valid,ic50,=,5,nM,C[C@@H]1C[C@H](c2c1c(ncn2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)c4ccc(cc4)Cl)O,
,,3CQW,,,,,,,
,,,CQW:A:999,valid,ic50,=,42,nM,c1c(c2c([nH]1)ncnc2[N@]3CCc4c(nc[nH]4)C3)Cl,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,4GV1,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,0XZ:A:501,valid,ic50,=,3,nM,c1cc(ccc1[C@H](CCO)NC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl,
,,3MV5,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,XFE:A:999,valid,ic50,=,180,nM,Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N,
,,3QKL,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,SMR:A:1,valid,,,,,CCOCC[N@@](C[C@H](C[N@]1CCC[C@]2(C1)CCc3c(ccc4c3cn[nH]4)O2)O)S(=O)(=O)c5c(cccc5C)C,
,,6BUU,,,,,,,
,,,GLY ARG PRO ARG THR THR ZXW PHE ALA GLU:G:1,valid,,,,,S(P(=O)(OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])[O-])CC(=O)NCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])C)Cc1ccccc1,
,,,GLY ARG PRO ARG THR THR ZXW PHE ALA GLU:F:1,valid,,,,,S(P(=O)(OP(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])[O-])CC(=O)NCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])C)Cc1ccccc1,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:F:501,Part of Protein,,,,,[Mn+2],
,,,MN:G:501,Part of Protein,,,,,[Mn+2],
,,3QKM,,,,,,,
,,,SM9:A:1,valid,ic50,=,0.038,uM,CCOCCN(C[C@H](C[N@]1CCC[C@]2(C1)CC[N@@](C2)c3c4ccccc4ncn3)O)S(=O)(=O)c5c(cccc5C)C,
,,3CQU,,,,,,,
,,,CQU:A:999,valid,ic50,=,151,nM,Cc1[nH]c(nn1)c2ccccc2Nc3c4cc[nH]c4ncn3,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,Family. Representative Entry is ,5DH3,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5BS:B:401,valid,ic50,=,38.1,nM,CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C,
,,,5BS:A:401,valid,ic50,=,38.1,nM,CN1c2ccsc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)S(=O)(=O)N)C,
,,,CL:A:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4UAL,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,3FV:A:501,valid,Ki,=,4,nM,c1ccnc(c1)c2c(c[nH]n2)NC(=O)c3c(cn(n3)C4CCNCC4)Cl,
,,5OTE,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,AQE:A:501,valid,,,,,c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5nccs5,
,,,CL:A:502,invalid,,,,,[Cl-],
,,4UAK,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,5OTF,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,AQ5:A:504,valid,,,,,c1cnc2c(c1N3CCC[C@]4(C3)CCCCN4)c(c[nH]2)c5ccncn5,
,,3TKU,,,,,,,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,M77:A:418,valid,ic50,=,1.92,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,,M77:A:419,valid,ic50,=,1.92,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,,M77:B:418,valid,ic50,=,1.92,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,,M77:B:419,valid,ic50,=,1.92,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,Family. Representative Entry is ,3V8S,,,,,,,
,,,0HD:A:501,valid,ic50,=,0.65,uM,c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3,
,,,0HD:B:501,valid,ic50,=,0.65,uM,c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3,
,,,0HD:C:501,valid,ic50,=,0.65,uM,c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3,
,,,0HD:D:501,valid,ic50,=,0.65,uM,c1ccc(cc1)CCNC(=O)Nc2ccc3c(c2)cn[nH]3,
,Family. Representative Entry is ,6QAV,,,,,,,
,,,HVH:C:301,valid,,,,,CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5,
,,,HVH:D:301,valid,,,,,CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5,
,,,HVH:A:301,valid,,,,,CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5,
,,,HVH:B:301,valid,,,,,CN1CCc2cc(ccc2C1)Nc3ncc(c(n3)NCCCNC(=O)C4CCC4)C5CC5,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,6QAU,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,1FV:B:301,valid,,,,,c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5,
,,,1FV:C:301,valid,,,,,c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5,
,,,1FV:A:301,valid,,,,,c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6U5L,,,,,,,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,3RJ:A:301,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6,
,Family. Representative Entry is ,5G1X,,,,,,,
,,,MG:A:1391,Part of Protein,,,,,[Mg+2],
,,,MG:A:1392,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3C0G,,,,,,,
,,,3AM:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,,3AM:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,3MFU,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,3C0H,,,,,,,
,,,AMP:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3C0I,,,,,,,
,,,3AM:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,3MFS,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3MFR,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3Q60,,,,,,,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MLI:A:601,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,6QF4,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ADP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4OUC,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,IOD:A:809,invalid,,,,,[I-],
,,,5ID:A:808,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5L8L,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5L8K,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5L8J,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5ODT,,,,,,,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6YA6,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,BO3:A:604,invalid,,,,,B(O)(O)O,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,0SX:A:601,valid,,,,,c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4,
,,4F99,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4F9C,,,,,,,
,,,0SX:A:601,valid,,,,,c1cc2c(cc1Cl)c3c(o2)C(=O)NC(=N3)[C@@H]4CCCN4,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4F9B,,,,,,,
,,,0SY:A:601,valid,,,,,c1cnccc1c2cc3c([nH]2)CCNC3=O,
,,,0SY:C:601,valid,,,,,c1cnccc1c2cc3c([nH]2)CCNC3=O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,4F9A,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,6YA8,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:A:601,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,Family. Representative Entry is ,3RE4,,,,,,,
,,,TO1:A:259,valid,Kd,~,40,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N,
,,,TO1:B:259,valid,Kd,~,40,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N,
,,1ZTF,,,,,,,
,,,XYA:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N,
,,4JIN,,,,,,,
,,,1L7:A:301,valid,,,,,c1ccc(cc1)CNC(=O)/C(=C/c2ccncc2)/C#N,
,Family. Representative Entry is ,6SPW,,,,,,,
,,,DAS ASP ASP ASP ASP ASP LYS A0Z:B:2,valid,ic50,=,4.5,uM,Ic1c(I)c(I)c2ncn(CCCCCCCC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c2c1I,
,,,DAS ASP ASP ASP ASP ASP LYS A0Z:D:2,valid,ic50,=,4.5,uM,Ic1c(I)c(I)c2ncn(CCCCCCCC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c2c1I,
,,,DAS ASP ASP ASP ASP ASP LYS A0Z:C:2,valid,ic50,=,4.5,uM,Ic1c(I)c(I)c2ncn(CCCCCCCC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])c2c1I,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,5OMY,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,9YE:A:401,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2,
,,5ONI,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,BU1:B:409,invalid,,,,,C(CCO)CO,
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,9YE:A:401,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2,
,,,9YE:B:401,valid,,,,,CC(C)n1c2c(c3c1-c4c(cccc4OCC=C(C)C)C3=O)C(=O)CCC2,
,Family. Representative Entry is ,6F1W,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CG5:A:308,valid,ic50,=,0.011,uM,CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC,
,,,CG5:B:309,valid,ic50,=,0.011,uM,CC(C)c1c(c(no1)c2ccc(cc2)F)c3ccnc(c3)NC(=O)c4cc(c5n4C[C@@H]6[C@H]([C@H](CN6C5)O)O)c7ccc(cc7)OC,
,,6RU6,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ACP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6RU7,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5OKT,,,,,,,
,,,SO4:C:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9XK:D:301,valid,ic50,=,317,nM,Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4,
,,,9XK:A:301,valid,ic50,=,317,nM,Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4,
,,,9XK:B:301,valid,ic50,=,317,nM,Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4,
,,,9XK:C:301,valid,ic50,=,317,nM,Cc1ccc2c(c1)sc(n2)NC(=O)CSC3=NC4=C(C(=O)N3c5ccccc5)SCC4,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3AKK,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,MG:C:400,Part of Protein,,,,,[Mg+2],
,,,MG:D:400,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6VRF,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,invalid,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,MG:B:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:309,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5LXM,,,,,,,
,,,MES:A:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NH3:D:101,invalid,,,,,N,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,P4G:A:507,invalid,,,,,CCOCCOCCOCC,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,5WNL,,,,,,,
,,,STU:A:401,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,CL:A:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2YAB,,,,,,,
,,,AMP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CA:A:1304,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YAA,,,,,,,
,,,ATP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1304,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4L3L,,,,,,,
,,,5FI:A:401,valid,,,,,CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,3A62,,,,,,,
,,,MN:A:38,Part of Protein,,,,,[Mn+2],
,,,STU:A:400,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3WF9,,,,,,,
,,,FS7:A:402,valid,ic50,=,567,nM,C[C@H]1CCc2c(c(c3ccccc3n2)C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O)N)C1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3WF8,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,F76:A:402,valid,ic50,=,232,nM,c1ccc2c(c1)c(c3c(n2)CCCCC3)C(=O)OCC(=O)Nc4ccc(cc4)S(=O)(=O)N,
,,3WE4,,,,,,,
,,,5FI:A:402,valid,ic50,=,15,nM,CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3WF5,,,,,,,
,,,FZ8:A:402,valid,ic50,=,81,nM,c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[nH]c5ncn4,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3WF7,,,,,,,
,,,FS9:A:402,valid,ic50,=,206,nM,c1cc(cc(c1)NC(=O)C2CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4L3J,,,,,,,
,,,5FI:A:401,valid,,,,,CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,3WF6,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,FZ9:A:402,valid,ic50,=,33,nM,c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH]c5ncn4,
,Family. Representative Entry is ,7JNT,,,,,,,
,,,MES:F:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:G:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,VFA:G:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:E:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:H:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:F:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:D:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:A:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:B:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,VFA:C:501,valid,ic50,=,6.3,nM,COc1cccc(c1)CNC(=O)c2ccc-3c(c2)OCc4c3ccnc4,
,,,CL:C:502,invalid,,,,,[Cl-],
,,,CL:F:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,2F2U,,,,,,,
,,,M77:A:501,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,,M77:B:1501,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,Family. Representative Entry is ,5JDA,,,,,,,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,NA:A:407,invalid,,,,,[Na+],
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SIN:A:418,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,4M69,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TDH,,,,,,,
,,,AMP:C:323,valid,Kd,=,55,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3T4N,,,,,,,
,,,ADP:C:324,valid,Kd,=,72,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3TE5,,,,,,,
,,,NAI:C:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,5M06,,,,,,,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6GZD,,,,,,,
,,,PEG:A:1014,invalid,,,,,C(COCCO)O,
,,,PEG:A:1016,invalid,,,,,C(COCCO)O,
,,,PEG:A:1012,invalid,,,,,C(COCCO)O,
,,,PEG:A:1013,invalid,,,,,C(COCCO)O,
,,,PEG:A:1011,invalid,,,,,C(COCCO)O,
,,,PEG:A:1015,invalid,,,,,C(COCCO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,TCE:A:1017,invalid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,PGE:A:1005,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1004,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1003,invalid,,,,,C(COCCOCCO)O,
,,,LCI:A:1018,valid,Kd,=,9.8,nM,Cn1c(c(cn1)c2c(cnc(n2)NC3CCC(CC3)[NH3+])F)CC4CC4,
,Family. Representative Entry is ,5EYK,,,,,,,
,,,5U5:B:401,valid,ic50,=,3,nM,CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/c3ccccc3)Nc4ccc(cc4)CN(C)C,
,,,5U5:A:401,valid,ic50,=,3,nM,CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(/c3ccccc3)Nc4ccc(cc4)CN(C)C,
,,5K3Y,,,,,,,
,,,TPO:B:401,invalid,,,,,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,TPO:A:401,invalid,,,,,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,6Q4:B:402,valid,,,,,CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F,
,,,6Q4:A:402,valid,,,,,CC(C)NC(=O)[C@H]1CCC[C@H]1Nc2c(cnc(n2)Nc3ccc(cc3)C(=O)N(C)C4CCN(CC4)C)C(F)(F)F,
,Family. Representative Entry is ,5DEY,,,,,,,
,,,59T:A:601,valid,Ki,=,3.7,nM,Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC,
,,,59T:B:601,valid,Ki,=,3.7,nM,Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CC5OCC(CO5)N)NC,
,,4O0R,,,,,,,
,,,7KC:A:601,valid,Ki,=,0.036,uM,Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C,
,,3FY0,,,,,,,
,,,DW1:A:200,valid,ic50,=,1090,nM,C1=CC(C=C1)[Ru@]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O,
,,6B16,,,,,,,
,,,C7Y:B:601,valid,Ki,=,32,nM,C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5,
,,,C7Y:A:601,valid,Ki,=,32,nM,C[C@@H](c1ccc2c(n1)cc[nH]2)Nc3nccc(n3)Nc4cc([nH]n4)C5CC5,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DFP,,,,,,,
,,,59U:A:601,valid,Ki,=,22,nM,CCN1c2c(cnc(n2)NCCC3CCN(CC3)C)C=C(C1=O)c4ccc(cc4Cl)c5cncc(n5)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,3FXZ,,,,,,,
,,,FLL:A:1,valid,ic50,=,130,nM,c1ccc(cc1)N2Cc3cccc[n+]3[Ru]24(n5cc(cc6c5c7[n+]4c8ccc(cc8c7c9c6C(=O)NC9=O)O)F)(C#O)Cl,
,,5IME,,,,,,,
,,,6BZ:A:601,valid,Ki,=,4.6,nM,CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC,
,,,6BZ:B:601,valid,Ki,=,4.6,nM,CC1=NC=CN(C1=O)c2ccc(c(c2)Cl)C3=Cc4cnc(nc4N(C3=O)CCCN)NC,
,,4ZY6,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4T6:B:601,valid,Ki,=,5,nM,c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2,
,,,4T6:A:601,valid,Ki,=,5,nM,c1cc2c(c(c1CNc3nccc(n3)Nc4cc([nH]n4)C5CC5)Cl)[nH]cn2,
,,3Q53,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:554,Part of Protein,,,,,[Mg+2],
,,,MG:A:555,Part of Protein,,,,,[Mg+2],
,,4EQC,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,XR1:A:601,valid,ic50,=,8,nM,CCN1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)C=C(C1=O)c5ccc(cc5Cl)c6cncs6,
,,4ZJJ,,,,,,,
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,4OR:C:601,valid,Kd,=,9.9,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl,
,,,4OR:B:601,valid,Kd,=,9.9,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl,
,,,4OR:A:601,valid,Kd,=,9.9,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl,
,,,4OR:D:601,valid,Kd,=,9.9,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N[C@H]4CCN(C4)C(=O)NC(C)(C)C)Cl,
,,5KBR,,,,,,,
,,,IPW:A:601,valid,ic50,=,260,nM,c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl,
,,,IPW:B:601,valid,ic50,=,260,nM,c1cc(ccc1C(=O)c2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)Cl,
,,4ZLO,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,4PV:A:601,valid,ic50,=,12,uM,CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F,
,,4ZJI,,,,,,,
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,4OQ:B:601,valid,Kd,=,340,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl,
,,,4OQ:D:601,valid,Kd,=,340,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl,
,,,4OQ:A:601,valid,Kd,=,340,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl,
,,,4OQ:C:601,valid,Kd,=,340,nM,CCN1c2ccc(cc2C(=Nc3c1ccc(c3)F)N4CCN(CC4)C)Cl,
,,3Q4Z,,,,,,,
,,,ANP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,4ZY5,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4T5:B:601,valid,Ki,=,26,nM,c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N,
,,,4T5:A:601,valid,Ki,=,26,nM,c1cnc(nc1Nc2cc(n[nH]2)C3CC3)NCC4CCC(CC4)N,
,,,DMS:B:602,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3RGZ,,,,,,,
,,,BLD:A:800,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,
,,,NAG:A:1121,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3511,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5101,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LSA,,,,,,,
,,,NAG:A:816,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,BLD:A:817,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,
,Family. Representative Entry is ,5JZJ,,,,,,,
,,,AN2:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N,
,,,AN2:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6RU8,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6QQH,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QQJ,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6S45,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QQK,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QSA,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QQI,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4NFN,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2KC:A:401,valid,ic50,=,120,nM,CC1(CCN(CC1)Cc2ccn3c2c(ncn3)Nc4cc(cc(c4)Br)O)N,
,Family. Representative Entry is ,5AX9,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4KT:A:401,valid,ic50,=,8,nM,COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N,
,,,4KT:C:401,valid,ic50,=,8,nM,COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N,
,,,4KT:B:401,valid,ic50,=,8,nM,COc1ccc(cc1c2ccnc(c2)Nc3ccc(c(c3)OC)N4CCOCC4)C#N,
,Family. Representative Entry is ,4IJP,,,,,,,
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1EH:A:1101,valid,ic50,=,0.016,uM,c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl,
,,,1EH:B:1101,valid,ic50,=,0.016,uM,c1cc(c2cc(sc2c1)C(=O)N)c3ccc(s3)C(=O)NCc4ccnc(c4)Cl,
,,4IFC,,,,,,,
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4IIR,,,,,,,
,,,ANP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6FDM,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2J7T,,,,,,,
,,,274:A:1324,valid,,,,,Cc1c([nH]c(c1C(=O)N2CCN(CC2)C)C)C=C/3c4cc(ccc4NC3=O)S(=O)(=O)N(C)c5cccc(c5)Cl,
,,,ACT:A:1323,invalid,,,,,CC(=O)[O-],
,,,CA:A:1318,Part of Protein,,,,,[Ca+2],
,,,CA:A:1319,Part of Protein,,,,,[Ca+2],
,,,CA:A:1320,Part of Protein,,,,,[Ca+2],
,,,CA:A:1321,Part of Protein,,,,,[Ca+2],
,,,CA:A:1322,Part of Protein,,,,,[Ca+2],
,,,CA:A:332,Part of Protein,,,,,[Ca+2],
,,,CA:A:333,Part of Protein,,,,,[Ca+2],
,,4EQU,,,,,,,
,,,1PE:B:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,G6I:A:401,valid,,,,,Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F,
,,,G6I:B:401,valid,,,,,Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5cccc(c5)C(F)(F)F,
,Family. Representative Entry is ,4JR7,,,,,,,
,,,GNP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4JQE,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4MWH,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4LFI,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GNP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3GGF,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,GVD:A:305,valid,,,,,c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,GVD:B:304,valid,,,,,c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5,
,Family. Representative Entry is ,4U44,,,,,,,
,,,3D9:A:403,valid,ic50,=,0.008,uM,c1ccc(cc1)c2cc3c(ncnn3c2)Nc4ccncc4,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4OBQ,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,2QT:A:403,valid,ic50,=,0.065,uM,c1cc2c(cc1c3cc(cc(c3)F)NC(=O)CN4CCCC4)c(ncn2)N,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4U43,,,,,,,
,,,3D8:A:401,valid,Kd,=,48,uM,c1cc(cnc1)Nc2c3cccn3ncn2,
,,4OBP,,,,,,,
,,,2QU:A:403,valid,ic50,=,0.017,uM,c1cc(nc2c1ncnc2N)c3ccnc(c3)F,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MES:A:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4RVT,,,,,,,
,,,MES:A:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,3XM:A:401,valid,ic50,=,1.9,uM,CCCCCC(=O)C1=C(C(=CNC1=O)c2ccc(cc2)O)O,
,,4OBO,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,2QV:A:403,valid,ic50,=,0.077,uM,c1cc(cc(c1)Cl)c2ccc3c(c2)c(ncn3)N,
,Family. Representative Entry is ,3DAK,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:296,Part of Protein,,,,,[Mg+2],
,,,MG:B:296,Part of Protein,,,,,[Mg+2],
,,,MG:C:296,Part of Protein,,,,,[Mg+2],
,,,MG:D:296,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5OC7,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,IP2:D:902,valid,,,,,[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4C2V,,,,,,,
,,,YJA:A:1357,valid,Ki,=,1,nM,CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO,
,,,YJA:B:1357,valid,Ki,=,1,nM,CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO,
,,2VGP,,,,,,,
,,,AD6:A:1357,valid,ic50,=,577,nM,CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br,
,,,AD6:B:1356,valid,ic50,=,577,nM,CNC(=O)c1ccc(cc1)Nc2ncc(s2)Br,
,,2VGO,,,,,,,
,,,AD5:A:1357,valid,ic50,=,500,nM,c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5,
,,,AD5:B:1359,valid,ic50,=,500,nM,c1cc(ccc1Nc2nc3c(c(n2)NC4CCCCC4)nc[nH]3)N5CCOCC5,
,,2VRX,,,,,,,
,,,447:A:1356,valid,,,,,COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5,
,,,447:B:1356,valid,,,,,COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5,
,,3ZTX,,,,,,,
,,,ZTX:A:1357,valid,,,,,CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C,
,,,ZTX:B:1356,valid,,,,,CN1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O)C,
,,2BFY,,,,,,,
,,,H1N:A:1357,valid,,,,,CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5,
,,,H1N:B:1357,valid,,,,,CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5,
,Family. Representative Entry is ,6G34,,,,,,,
,,,5ID:A:401,valid,Kd,=,5.7,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5HTB,,,,,,,
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,MPD:C:102,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ALA ARG LYS LYS GLN THR 66N 6L5:C:1,valid,Kd,=,170,nM,O=C(NC(C(=O)N)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCCNC(=O)CC(NC(=O)CCCCCNC(=O)C1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)C(=O)N)CCCC[NH3+])CCC(=O)N)C(O)C,
,,,MRD:A:801,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,DMS:A:803,invalid,,,,,CS(=O)C,
,,6G36,,,,,,,
,,,EPE:A:406,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,CO:A:405,Part of Protein,,,,,[Co+2],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,EKH:A:401,valid,Kd,=,16.3,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Cl,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3IQ7,,,,,,,
,,,5ID:A:799,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,IOD:A:800,invalid,,,,,[I-],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6G39,,,,,,,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,MRD:A:805,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:804,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,5ID:A:802,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,IOD:A:803,invalid,,,,,[I-],
,,6G37,,,,,,,
,,,FTU:A:801,valid,Kd,=,42.7,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)F,
,,,PO4:A:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5HTC,,,,,,,
,,,NA:A:803,Part of Protein,,,,,[Na+],
,,,ALA ARG LYS LYS GLN THR 66N 66M:C:1,valid,Kd,=,150,nM,,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:802,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:A:804,invalid,,,,,CS(=O)C,
,,7AVQ,,,,,,,
,,,NA:A:802,Part of Protein,,,,,[Na+],
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,S1Z:A:801,valid,ic50,=,0.064,uM,CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n4,
,,3DLZ,,,,,,,
,,,AMP:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,4QTC,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,38Z:A:804,valid,Kd,=,0.297,uM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,6G35,,,,,,,
,,,NA:A:801,invalid,,,,,[Na+],
,,,EKK:A:802,valid,Kd,=,17.5,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br,
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,BR:A:803,invalid,,,,,[Br-],
,,6G3A,,,,,,,
,,,DMS:A:806,invalid,,,,,CS(=O)C,
,,,5ID:A:805,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,PO4:A:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IOD:A:800,invalid,,,,,[I-],
,,,IOD:A:801,invalid,,,,,[I-],
,,6G38,,,,,,,
,,,TBN:A:800,valid,Kd,=,239.2,nM,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,DMS:A:801,invalid,,,,,CS(=O)C,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2VUW,,,,,,,
,,,5ID:A:1800,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,DMS:A:1802,invalid,,,,,CS(=O)C,
,,,IOD:A:1799,invalid,,,,,[I-],
,,,MPD:A:1803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NI:A:1801,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5UPK,,,,,,,
,,,GNP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,ANP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4Y0X,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,4Y12,,,,,,,
,,,AGS:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5Y80,,,,,,,
,,,IRE:A:402,valid,Kd,=,1.62,nM,COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2,
,,,IRE:A:401,valid,Kd,=,1.62,nM,COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2,
,Family. Representative Entry is ,4LRJ,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6GPV,,,,,,,
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,F7Q:A:73,invalid,,,,,C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO,
,,,LUM:A:1004,valid,,,,,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,OHI:A:85,invalid,,,,,C1=NC(=O)N=C1C[C@@H](C(=O)O)N,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,6GPU,,,,,,,
,,,CO:A:1004,Part of Protein,,,,,[Co+2],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TRS:A:1005,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,2RIO,,,,,,,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:B:2102,Part of Protein,,,,,[Mg+2],
,,,SR:A:1103,invalid,,,,,[Sr+2],
,,,SR:B:2103,invalid,,,,,[Sr+2],
,Family. Representative Entry is ,6P5S,,,,,,,
,,,3NG:A:601,valid,,,,,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,Family. Representative Entry is ,6BXI,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ANP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4IHL,,,,,,,
,,,K:A:301,invalid,,,,,[K+],
,,,K:B:301,invalid,,,,,[K+],
,,,1F5:B:302,valid,,,,,C[C@@H]1[C@@H]2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O,
,,,1F5:A:302,valid,,,,,C[C@@H]1[C@@H]2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@H](O4)COC)O[C@H](O5)[C@](O6)(C)[C@@H]7CO7)O)C(C)C)C)(COC)O,
,Family. Representative Entry is ,2Z6D,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6BFN,,,,,,,
,,,DL1:A:601,valid,ic50,=,9.3,nM,COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4,
,,,DL1:B:601,valid,ic50,=,9.3,nM,COc1cc(ccc1NC(=O)c2cccc(n2)c3ccn[nH]3)N4CCOCC4,
,Family. Representative Entry is ,3M2W,,,,,,,
,,,L8I:A:1,valid,ic50,<,0.003,uM,CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(nc5)c6ccccc6F,
,,,MG:A:365,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5BS0,,,,,,,
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GLU SER ASP PRO ILE VAL ALA GLN TYR:C:1,valid,Kd,=,76.7,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CO)CC(=O)[O-])CCC1)C(CC)C)C(C)C)C)CCC(=O)N)Cc1ccc(O)cc1,
,Family. Representative Entry is ,5A6N,,,,,,,
,,,U7E:A:300,valid,ic50,=,52,uM,c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,PGO:A:303,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:302,invalid,,,,,C[C@@H](CO)O,
,,3BHY,,,,,,,
,,,7CP:A:600,valid,,,,,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@@H]3C#N)CCN(CC4)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,2J90,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,EDO:A:400,invalid,,,,,C(CO)O,
,,,EDO:B:400,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,IZA:A:300,valid,,,,,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,,IZA:B:300,valid,,,,,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5VJA,,,,,,,
,,,DMS:B:1001,invalid,,,,,CS(=O)C,
,,,DMS:D:302,invalid,,,,,CS(=O)C,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,DMS:C:1001,invalid,,,,,CS(=O)C,
,,,DUK:B:1002,valid,,,,,C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1,
,,,DUK:C:1002,valid,,,,,C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1,
,,,DUK:D:303,valid,,,,,C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1,
,,,DUK:A:1002,valid,,,,,C[C@H](C(=O)N)SC1=Nc2c(cnn2c3cccc(c3)Cl)C(=O)N1,
,,,ILE:D:301,invalid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5DBX,,,,,,,
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4I94,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4EJN,,,,,,,
,,,0R4:A:501,valid,ic50,=,0.005,uM,CC(=O)Nc1cccc(c1)c2ccc3c(n2)n(c(n3)c4cccnc4N)c5ccc(cc5)CNC(=O)c6cccc(c6)F,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SBT:A:502,invalid,,,,,CC[C@H](C)O,
,Family. Representative Entry is ,2Y8L,,,,,,,
,,,ADP:E:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1328,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:E:1329,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2YA3,,,,,,,
,,,AMP:E:1327,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,J7V:E:1325,valid,,,,,CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O,
,,,J7V:E:1326,valid,,,,,CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)CO[P@@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,4WNP,,,,,,,
,,,3RJ:A:303,valid,ic50,=,8,nM,c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6,
,,,3RJ:B:401,valid,ic50,=,8,nM,c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6,
,,,3RJ:C:401,valid,ic50,=,8,nM,c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6,
,,,3RJ:D:401,valid,ic50,=,8,nM,c1ccc2c(c1)c(nc(n2)Nc3ccc4c(c3)[nH]cn4)Nc5cc([nH]n5)C6CCC6,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,4WNO,,,,,,,
,,,3RF:A:401,valid,ic50,=,160,nM,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)N)Nc4cc([nH]n4)C5CC5,
,,6QAS,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:314,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,34W:B:316,valid,,,,,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F,
,,,34W:A:318,valid,,,,,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F,
,,,34W:B:315,valid,,,,,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F,
,,,CIT:B:304,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:304,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6MNH,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,JVD:A:301,valid,,,,,C[C@H](C(C)C)NC(=O)c1ccc2c(c1)[nH]nn2,
,,5CI7,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,51W:A:401,valid,ic50,=,120,nM,c1cc(cc(c1)NC(=O)N2CCCC2)Nc3ncc(c(n3)NCCCN)I,
,Family. Representative Entry is ,6I2P,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,ACP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNK UNK UNK UNK UNK:C:303,invalid,,,,,,
,Family. Representative Entry is ,5LVP,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,ATP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4USF,,,,,,,
,,,6UI:B:700,valid,,,,,COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4,
,,,6UI:A:700,valid,,,,,COc1ccc2cc(ccc2c1)c3c([nH]cn3)c4ccncc4,
,,2J51,,,,,,,
,,,DKI:A:1314,valid,,,,,c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,EDO:A:1309,invalid,,,,,C(CO)O,
,,,EDO:A:1310,invalid,,,,,C(CO)O,
,,,EDO:A:1311,invalid,,,,,C(CO)O,
,,,EDO:A:1312,invalid,,,,,C(CO)O,
,,,SCN:A:1313,invalid,,,,,C(#N)[S-],
,,2UV2,,,,,,,
,,,EDO:A:1309,invalid,,,,,C(CO)O,
,,,EDO:A:1310,invalid,,,,,C(CO)O,
,,,EDO:A:1311,invalid,,,,,C(CO)O,
,,,EDO:A:1312,invalid,,,,,C(CO)O,
,,,EDO:A:1313,invalid,,,,,C(CO)O,
,,,GVD:A:1316,valid,,,,,c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,SCN:A:1314,invalid,,,,,C(#N)[S-],
,,,SCN:A:1315,invalid,,,,,C(#N)[S-],
,,,TPO:A:183,Part of Protein,,,,,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,2JFL,,,,,,,
,,,CL:A:1316,invalid,,,,,[Cl-],
,,,DKI:A:1309,valid,,,,,c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,EDO:A:1310,invalid,,,,,C(CO)O,
,,,EDO:A:1311,invalid,,,,,C(CO)O,
,,,EDO:A:1312,invalid,,,,,C(CO)O,
,,,EDO:A:1313,invalid,,,,,C(CO)O,
,,,EDO:A:1314,invalid,,,,,C(CO)O,
,,,SCN:A:1315,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,4C2W,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3AQV,,,,,,,
,,,TAK:A:1,valid,,,,,c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5,
,Family. Representative Entry is ,6XX7,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:407,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4G17,,,,,,,
,,,0VN:A:401,valid,ic50,=,0.029,uM,CC(C)(C)c1ccc(cc1)Nc2[nH]c3cc(ccc3n2)C#N,
,,4G16,,,,,,,
,,,0VM:A:401,valid,ic50,=,0.14,uM,c1cc(c(nc1)Oc2ccc(cc2)Nc3[nH]c4cc(ccc4n3)C#N)C(F)(F)F,
,Family. Representative Entry is ,4Z5W,,,,,,,
,,,NAG:B:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:707,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:708,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:706,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TYS ILE TYS THR GLN:Q:28,valid,Kd,=,4.2,nM,,
,,,TYS ILE TYS THR GLN:P:28,valid,Kd,=,4.2,nM,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2QRD,,,,,,,
,,,ADP:E:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3KN5,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3DLS,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:4,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:6,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:20,Part of Protein,,,,,[Mg+2],
,,,MG:A:25,Part of Protein,,,,,[Mg+2],
,,,MG:A:7,Part of Protein,,,,,[Mg+2],
,,,MG:A:8,Part of Protein,,,,,[Mg+2],
,,,MG:B:10,Part of Protein,,,,,[Mg+2],
,,,MG:B:19,Part of Protein,,,,,[Mg+2],
,,,MG:B:24,Part of Protein,,,,,[Mg+2],
,,,MG:B:9,Part of Protein,,,,,[Mg+2],
,,,MG:C:11,Part of Protein,,,,,[Mg+2],
,,,MG:C:12,Part of Protein,,,,,[Mg+2],
,,,MG:C:21,Part of Protein,,,,,[Mg+2],
,,,MG:C:22,Part of Protein,,,,,[Mg+2],
,,,MG:D:13,Part of Protein,,,,,[Mg+2],
,,,MG:D:14,Part of Protein,,,,,[Mg+2],
,,,MG:D:23,Part of Protein,,,,,[Mg+2],
,,,MG:E:15,Part of Protein,,,,,[Mg+2],
,,,MG:E:16,Part of Protein,,,,,[Mg+2],
,,,MG:F:17,Part of Protein,,,,,[Mg+2],
,,,MG:F:18,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V3S,,,,,,,
,,,ACT:B:1528,invalid,,,,,CC(=O)[O-],
,,,GLY ARG PHE GLN VAL THR:C:1003,valid,,,,,,
,,,GLY ARG PHE GLN VAL THR:D:1003,valid,,,,,,
,Family. Representative Entry is ,4J0M,,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:I:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:815,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BLD:A:804,valid,Kd,=,3.6,nM,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,
,,,BLD:B:801,valid,Kd,=,3.6,nM,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O,
,Family. Representative Entry is ,4YZC,,,,,,,
,,,STU:A:1001,valid,ic50,=,3,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:1001,valid,ic50,=,3,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,6URC,,,,,,,
,,,QFV:A:1001,valid,,,,,Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl,
,,,QFV:B:1001,valid,,,,,Cc1ccc2c(c1Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)cccc2NS(=O)(=O)c6ccccc6Cl,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,4YZ9,,,,,,,
,,,4K7:A:1001,valid,Ki,=,200,nM,Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl,
,,,4K7:B:1001,valid,Ki,=,200,nM,Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl,
,,,4K7:C:1001,valid,Ki,=,200,nM,Cc1ccc(cc1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)Cc4ccc(c(c4)Cl)Cl,
,,6W39,,,,,,,
,,,SJG:B:1001,valid,,,,,CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C,
,,,SJG:A:1001,valid,,,,,CCOC(=O)Nc1cccc2c1ccc(c2Oc3c(cccn3)c4ccnc(n4)N[C@H]5CCCNC5)C,
,,6HX1,,,,,,,
,,,GXK:A:1001,valid,ic50,=,1.6,uM,c1cc2c(cc1c3cnc4n3nc(cc4NCC5CC5)Cl)c[nH]n2,
,,6W3K,,,,,,,
,,,SJS:A:1001,valid,,,,,c1cc(c(c(c1)F)c2cc3c([nH]nc3nc2)C4=CC(=O)NC(=N4)N5CCC(CC5)O)F,
1.1.1.62,,,,,,,,,
,Family. Representative Entry is ,1ZQ5,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,E04:A:400,valid,Ki,=,6.9,nM,CC1(CC[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)C(=O)N)C)OC1=O)C,
,,,NAP:A:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1XF0,,,,,,,
,,,ACT:A:700,invalid,,,,,CC(=O)[O-],
,,,ASD:A:600,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XVE,,,,,,,
,,,WDS:A:402,valid,ic50,=,2.9,uM,CCCCCN1C(=O)c2ccc(cc2N=C1SCc3ccccn3)C(=O)N4CCCC4,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1S1R,,,,,,,
,,,ACT:A:2001,invalid,,,,,CC(=O)[O-],
,,,MPD:A:2002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4FAM,,,,,,,
,,,0SZ:A:402,valid,ic50,=,0.013,uM,c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O,
,,,0SZ:B:702,valid,ic50,=,0.013,uM,c1ccc2c(c1)CCN(C2)S(=O)(=O)c3cccc(c3)C(=O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4YVV,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GBM:A:402,valid,ic50,=,3.72,uM,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,
,,,GBM:B:402,valid,ic50,=,3.72,uM,COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl,
,,4WDU,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,WDU:A:402,valid,ic50,=,2.6,uM,c1cc(ccc1CNC(=O)c2c(c([nH]n2)[N+](=O)[O-])Cl)Cl,
,,4DBS,,,,,,,
,,,0HV:A:402,valid,ic50,=,0.08,uM,c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O,
,,,0HV:A:403,valid,ic50,=,0.08,uM,c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O,
,,,0HV:B:402,valid,ic50,=,0.08,uM,c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O,
,,,0HV:B:403,valid,ic50,=,0.08,uM,c1ccc2c(c1)c(ccc2[N+](=O)[O-])Nc3cccc(c3)C(=O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4WDX,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,WDX:A:402,valid,,,,,Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO,
,,,WDX:B:402,valid,,,,,Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC(CC3)CCO,
,,4DBW,,,,,,,
,,,511:B:403,valid,ic50,=,0.1,uM,COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O,
,,,511:A:403,valid,ic50,=,0.1,uM,COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O,
,,,511:B:402,valid,ic50,=,0.1,uM,COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O,
,,,511:A:402,valid,ic50,=,0.1,uM,COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4WDT,,,,,,,
,,,WDT:A:402,valid,ic50,=,0.29,uM,c1ccc(cc1)S(=O)(=O)c2ccc(c(c2)O)[N+](=O)[O-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RY8,,,,,,,
,,,NDP:A:2324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:3324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,RUT:A:2325,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O,
,,,RUT:B:3325,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O,
,,2FGB,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,NAP:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P6G:A:600,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4FAL,,,,,,,
,,,0T0:A:402,valid,ic50,=,0.05,uM,CNC(=O)c1cccc(c1)S(=O)(=O)N2CCc3ccccc3C2,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4ZFC,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GCZ:A:402,valid,ic50,=,19.62,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2,
,,,GCZ:B:402,valid,ic50,=,19.62,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[C@H]3C2,
,,4H7C,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,10H:A:402,valid,ic50,=,0.088,uM,C[C@@H]1CCCCN1S(=O)(=O)c2ccc(cc2)N3C=CCC3=O,
,,4FA3,,,,,,,
,,,0SL:A:402,valid,ic50,=,0.032,uM,c1ccc2cc(ccc2c1)S(=O)(=O)N3CCC[C@H](C3)C(=O)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RY0,,,,,,,
,,,NAP:A:2324,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3324,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PG2:A:2325,valid,,,,,CCCCC[C@@H](C=C[C@@H]1[C@H]([C@H](CC1=O)O)CC=C/CCCC(=O)O)O,
,,,PG2:B:3325,valid,,,,,CCCCC[C@@H](C=C[C@@H]1[C@H]([C@H](CC1=O)O)CC=C/CCCC(=O)O)O,
,,2F38,,,,,,,
,,,15M:A:325,valid,ic50,=,6,uM,CCNC(=O)CCCC=C/C[C@H]1[C@H](C[C@H]([C@@H]1C=C[C@H](CCc2ccccc2)O)O)O,
,,,NAP:A:324,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4YVX,,,,,,,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GMR:B:401,valid,ic50,=,0.85,uM,CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,
,,,GMR:A:401,valid,ic50,=,0.85,uM,CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,
,,7C7H,,,,,,,
,,,FJU:A:402,valid,ic50,=,34,nM,[H]/N=C1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC,
,,,FJU:B:402,valid,ic50,=,34,nM,[H]/N=C1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4HMN,,,,,,,
,,,16J:A:402,valid,ic50,=,0.11,uM,c1cc(ccc1N2CCN(CC2)C(=O)N3CCOCC3)Cl,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,4WDW,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,WDW:B:402,valid,,,,,Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3,
,,,WDW:A:402,valid,,,,,Cc1ccc2c(c1)cc([nH]2)C(=O)N3CCC=CC3,
,,1S2C,,,,,,,
,,,DMS:A:2003,invalid,,,,,CS(=O)C,
,,,FLF:A:2001,valid,Ki,~,0.14,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,FLF:A:2002,valid,Ki,~,0.14,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6F2U,,,,,,,
,,,CJ2:A:402,valid,ic50,=,0.44,uM,COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F,
,,,CJ2:B:402,valid,ic50,=,0.44,uM,COc1ccc(cc1)Cn2c(c(nn2)O)C(=O)Nc3cccc(c3)C(F)(F)F,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6F78,,,,,,,
,,,CVN:A:401,valid,ic50,=,0.26,uM,c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F,
,,,CVN:B:401,valid,ic50,=,0.26,uM,c1cc(c2c(c1)ONC2=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F,
,,,NAP:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,7C7G,,,,,,,
,,,FJR:A:402,valid,ic50,=,27,nM,[H]/N=C1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C,
,,,FJR:B:402,valid,ic50,=,27,nM,[H]/N=C1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6GXK,,,,,,,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,FFW:B:402,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O,
,,,FFW:A:402,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC4=NONC4=O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1S1P,,,,,,,
,,,ACT:A:2001,invalid,,,,,CC(=O)[O-],
,,,MPD:A:2002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,7C7F,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1GZ6,,,,,,,
,,,NAI:A:1306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:1305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3HB5,,,,,,,
,,,E2B:X:700,valid,Ki,=,0.9,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O,
,,,NAP:X:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6MNE,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,J3Z:B:402,valid,Kd,=,1.6,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O,
,,,J3Z:A:402,valid,Kd,=,1.6,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1JTV,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,TES:A:500,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,6CGE,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,F0D:A:402,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr,
,,,F0D:B:402,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)CCBr,
,,1QYX,,,,,,,
,,,ASD:A:500,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DHT,,,,,,,
,,,DHT:A:400,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,3HB4,,,,,,,
,,,E2B:X:700,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O,
,,1I5R,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,HYC:A:328,valid,Ki,=,3,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)CCCCCCCCC(=O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O,
,,1IOL,,,,,,,
,,,EST:A:400,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,1FDT,,,,,,,
,,,EST:A:350,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,NAP:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MNC,,,,,,,
,,,J3Z:B:401,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,1QYW,,,,,,,
,,,5SD:A:500,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6CGC,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,F0A:A:402,valid,,,,,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC,
,,,F0A:B:402,valid,,,,,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5cccc(c5)C(=O)N)O)OC,
,,3KLM,,,,,,,
,,,DHT:X:732,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,GOL:X:328,invalid,,,,,C(C(CO)O)O,
,,1QYV,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:361,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1FDS,,,,,,,
,,,EST:A:350,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,4CQM,,,,,,,
,,,EDO:L:401,invalid,,,,,C(CO)O,
,,,EDO:M:402,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,EDO:P:401,invalid,,,,,C(CO)O,
,,,EDO:F:401,invalid,,,,,C(CO)O,
,,,EDO:E:402,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:I:402,invalid,,,,,C(CO)O,
,,,NAP:L:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:N:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:O:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:M:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:301,valid,Kd,=,26.8,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:401,invalid,,,,,C(C(CO)O)O,
,,,ACT:P:501,invalid,,,,,CC(=O)[O-],
,,,ACT:M:501,invalid,,,,,CC(=O)[O-],
,,,ACT:H:501,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1A27,,,,,,,
,,,EST:A:350,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,NAP:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1YB1,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AOI:A:602,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,AOI:B:601,valid,,,,,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,Family. Representative Entry is ,3QWI,,,,,,,
,,,CUE:A:272,valid,ic50,=,2.8,uM,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,,CUE:B:272,valid,ic50,=,2.8,uM,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,,CUE:D:272,valid,ic50,=,2.8,uM,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:A:276,invalid,,,,,C(CO)O,
,,,EDO:C:272,invalid,,,,,C(CO)O,
,,,EDO:C:273,invalid,,,,,C(CO)O,
,,,EDO:D:273,invalid,,,,,C(CO)O,
,,,EDO:D:274,invalid,,,,,C(CO)O,
,,,EDO:D:275,invalid,,,,,C(CO)O,
,,,NAP:A:271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:271,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QWF,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
4.2.1.104,,,,,,,,,
,Family. Representative Entry is ,1DWK,,,,,,,
,,,OXL:F:202,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:J:201,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:203,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:204,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:202,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:203,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:202,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.20,,,,,,,,,
,Family. Representative Entry is ,2GL0,,,,,,,
,,,ADN:A:901,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:902,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:903,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:904,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:E:905,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:F:906,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6C9V,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,ERS:B:401,valid,Ki,=,120.2,nM,c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O,
,,,ERS:A:401,valid,Ki,=,120.2,nM,c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,4PVV,,,,,,,
,,,HO4:A:401,valid,ic50,=,0.33,uM,C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,4O1G,,,,,,,
,,,AGS:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,2PKK,,,,,,,
,,,2FA:A:501,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N,
,,6C9S,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,ERP:B:401,valid,,,,,c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O,
,,,ERP:A:401,valid,,,,,c1ccc(cc1)c2ccc(cc2)C#Cc3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PKM,,,,,,,
,,,ADN:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,6C9Q,,,,,,,
,,,5N5:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N,
,,6C67,,,,,,,
,,,5ID:A:401,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:A:402,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:B:401,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:B:402,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,6C9N,,,,,,,
,,,SGV:A:401,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,SGV:B:401,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,SGV:B:402,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,SGV:A:402,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6C9R,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,ERJ:A:401,valid,,,,,c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,
,,,ERJ:A:402,valid,,,,,c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,
,,,ERJ:B:402,valid,,,,,c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,
,,,ERJ:B:401,valid,,,,,c1cscc1c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,6C9P,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MTP:B:405,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:A:403,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:A:404,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:B:404,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,2PKN,,,,,,,
,,,ACP:A:325,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2ABS,,,,,,,
,,,ACP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,2A9Z,,,,,,,
,,,26A:A:1001,valid,,,,,CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,26A:A:1002,valid,,,,,CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ACP:A:1005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,,NA:A:2003,Part of Protein,,,,,[Na+],
,,2A9Y,,,,,,,
,,,26A:A:1001,valid,,,,,CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,26A:A:1002,valid,,,,,CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,ACT:A:3001,invalid,,,,,CC(=O)[O-],
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,,NA:A:2003,Part of Protein,,,,,[Na+],
,,2AA0,,,,,,,
,,,ACT:A:3001,invalid,,,,,CC(=O)[O-],
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,MTP:A:1001,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MTP:A:1002,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,,NA:A:2003,Part of Protein,,,,,[Na+],
,,1DGM,,,,,,,
,,,ACY:A:370,invalid,,,,,CC(=O)O,
,,,ADN:A:375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:385,invalid,,,,,[Cl-],
,,,MG:A:380,Part of Protein,,,,,[Mg+2],
,,1LIJ,,,,,,,
,,,ACP:A:799,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:899,invalid,,,,,[Cl-],
,,,MG:A:999,invalid,,,,,[Mg+2],
,,,RPP:A:699,valid,,,,,c1nc(c2c(n1)N(NC2I)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,1LII,,,,,,,
,,,ACP:A:799,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ADN:A:699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:899,invalid,,,,,[Cl-],
,,,MG:A:999,invalid,,,,,[Mg+2],
,,2AB8,,,,,,,
,,,ACP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,MTP:A:1001,valid,,,,,CSc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,,NA:A:2003,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2I6A,,,,,,,
,,,5I5:A:500,valid,ic50,=,0.9,nM,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O,
,,,5I5:B:500,valid,ic50,=,0.9,nM,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O,
,,,5I5:C:500,valid,ic50,=,0.9,nM,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O,
,,,5I5:D:500,valid,ic50,=,0.9,nM,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c3c2ncnc3N)I)O)O,
,,1BX4,,,,,,,
,,,ADN:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:355,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:380,invalid,,,,,[Cl-],
,,,CL:A:385,invalid,,,,,[Cl-],
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,MG:A:365,Part of Protein,,,,,[Mg+2],
,,,MG:A:375,Part of Protein,,,,,[Mg+2],
,,2I6B,,,,,,,
,,,89I:A:500,valid,ic50,=,68,nM,CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4,
,,,89I:B:500,valid,ic50,=,68,nM,CN(C)c1ccc(cc1)c2c(ncnc2N)C#Cc3ccc(nc3)N4CCOCC4,
,,4O1L,,,,,,,
,,,HO4:A:404,valid,ic50,=,0.2,uM,C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,HO4:A:403,valid,ic50,=,0.2,uM,C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,HO4:B:403,valid,ic50,=,0.2,uM,C#Cc1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3LOO,,,,,,,
,,,B4P:C:349,valid,Ki,=,860,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,B4P:A:349,valid,Ki,=,860,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,B4P:B:349,valid,Ki,=,860,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:350,invalid,,,,,[Mg+2],
,,,MG:B:350,invalid,,,,,[Mg+2],
,,,MG:C:350,invalid,,,,,[Mg+2],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,CL:B:351,invalid,,,,,[Cl-],
,,,CL:C:351,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3OTX,,,,,,,
,,,AP5:A:346,valid,ic50,=,29.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:346,valid,ic50,=,29.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,NA:A:347,invalid,,,,,[Na+],
,,,NA:B:347,invalid,,,,,[Na+],
2.3.2.6,,,,,,,,,
,Family. Representative Entry is ,2Z3N,,,,,,,
,,,PHE ARG TYR LEU GLY:C:301,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,,PHE ARG TYR LEU GLY:D:401,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)C([NH3+])Cc1ccccc1,
,,,TAR:A:501,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:502,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
2.4.1.-,,,,,,,,,
,Family. Representative Entry is ,4PQG,,,,,,,
,,,UDP:B:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5GGN,,,,,,,
,,,LEC:B:301,valid,Kd,=,0.22,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:A:301,valid,Kd,=,0.22,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,5GGP,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:B:301,invalid,,,,,[Na+],
,,,NA:B:303,invalid,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:A:301,invalid,,,,,[Na+],
,,,THR PRO THR MAN NAG PRO VAL:C:2,valid,Kd,=,0.5,mM,,
,,,THR PRO THR MAN NAG PRO VAL THR ALA ILE GLY:D:2,valid,Kd,=,0.5,mM,,
,,5GGJ,,,,,,,
,,,PNA:A:301,valid,Kd,=,17.78,mM,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PNA:B:301,valid,Kd,=,17.78,mM,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,5GGK,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,MBE:B:301,valid,Kd,=,0.29,mM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,MBE:A:301,valid,Kd,=,0.29,mM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,5GGO,,,,,,,
,,,LEC NGA:D:1,valid,Kd,=,0.8,mM,O=C(NC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,LEC NGA:C:1,valid,Kd,=,0.8,mM,O=C(NC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,5GGL,,,,,,,
,,,6ZC:A:301,valid,Kd,=,16.52,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,6ZC:B:301,valid,Kd,=,16.52,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,Family. Representative Entry is ,5A07,,,,,,,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,ACT:A:1465,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1465,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6LLZ,,,,,,,
,,,UPG:B:901,valid,Kd,=,47.88,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:A:900,valid,Kd,=,47.88,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,6LLW,,,,,,,
,,,UDP:B:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,7CYW,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,BUP:A:502,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br,
,Family. Representative Entry is ,2ACV,,,,,,,
,,,UDP:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4DEC,,,,,,,
,,,3PG:A:403,valid,Kd,=,4,uM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4Y6U,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,3PG:A:403,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,4Y6N,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UPG:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,3PG:A:402,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6INI,,,,,,,
,,,AUO:A:503,valid,,,,,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)O,
,,,AQ9:A:504,valid,,,,,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,6O86,,,,,,,
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6O87,,,,,,,
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6ING,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,6INF,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6O88,,,,,,,
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,LRV:A:501,valid,,,,,C[C@@H]1C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@]1(C3)O[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@H](C([C@@H](C(O6)CO)O)O)O)OC7[C@H]([C@H]([C@H]([C@@H](O7)CO)O)O)O)(CCC[C@@]4(C)C(=O)O)C,
,,6INH,,,,,,,
,,,AQ9:A:505,valid,,,,,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O,
,,,AQ9:A:502,valid,,,,,C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3HBF,,,,,,,
,,,MYC:A:901,valid,,,,,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,UDP:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3HBJ,,,,,,,
,,,UDP:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1OMZ,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,UD2:A:405,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:B:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1ON6,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:400,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1NLM,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,5TZJ,,,,,,,
,,,UD1:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,5TZE,,,,,,,
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,UD1:C:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:E:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,5TZK,,,,,,,
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,UDP:C:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3SIX,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3SIW,,,,,,,
,,,GDP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5L0U,,,,,,,
,,,660:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(C[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:B:100,Part of Protein,,,,,[Ca+2],
,,5L0V,,,,,,,
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,,UDP:A:1005,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MPD:A:1006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SHG:B:102,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,5L0T,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:100,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UDP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,CL:A:407,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6BK3,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,B2S:A:502,valid,,,,,CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO,
,,6BK2,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6BK1,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6BK0,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5TME,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5UQK,,,,,,,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,U2F:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,4DMW,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5UQL,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,U2F:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,Family. Representative Entry is ,2BO4,,,,,,,
,,,FLC:A:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:1382,valid,Ki,=,24.6,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,2BO6,,,,,,,
,,,DGY:A:1382,valid,,,,,C([C@H](C(=O)O)O)O,
,,,DGY:B:1382,valid,,,,,C([C@H](C(=O)O)O)O,
,,,MN:A:1383,Part of Protein,,,,,[Mn+2],
,,,MN:B:1383,Part of Protein,,,,,[Mn+2],
,,2Y4K,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,FMT:A:501,invalid,,,,,C(=O)O,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2Y4J,,,,,,,
,,,LAC:A:400,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:400,valid,,,,,C[C@H](C(=O)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,TRS:A:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3UYK,,,,,,,
,,,0CX:B:387,valid,,,,,CC[C@H]1CCC[C@@H]([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O)C)O,
,,,BGC:B:388,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:A:387,invalid,,,,,[Mg+2],
,,3UYL,,,,,,,
,,,GLC:B:402,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5L0R,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:B:3001,Part of Protein,,,,,[Ca+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5UB5,,,,,,,
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UDP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5V2J,,,,,,,
,,,BGC:B:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,7WV:A:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,7WV:B:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,BGC BGC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,5V2K,,,,,,,
,,,BGC:B:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,7WV:A:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,7WV:B:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,BGC BGC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,5U6N,,,,,,,
,,,SAL:B:504,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:505,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,BGC:B:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:502,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:504,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GLN:A:501,invalid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,BGC BGC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,5U6S,,,,,,,
,,,BGC:B:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,UDP:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,7WV:A:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,7WV:B:504,valid,,,,,c1ccc(c(c1)C(=O)O)Br,
,,,BGC BGC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,invalid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,5L0S,,,,,,,
,,,UDP:A:1004,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5NLM,,,,,,,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,IOS:A:1000,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,,,IOS:B:1000,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,Family. Representative Entry is ,4WTR,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,4WTS,,,,,,,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,4M4K,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,GDU:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,4LW3,,,,,,,
,,,GDU:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,4LW6,,,,,,,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SEL:A:405,invalid,,,,,C(C(CO)N)O,
,,3LW6,,,,,,,
,,,MN:A:314,Part of Protein,,,,,[Mn+2],
,,,MPD:A:313,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,UDP:A:312,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2IYF,,,,,,,
,,,ERY:A:1400,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,ERY:B:1399,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,UDP:A:1401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4IRP,,,,,,,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,IMD:A:407,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,6HQ8,,,,,,,
,,,EDO:A:1212,invalid,,,,,C(CO)O,
,,,EDO:B:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1210,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1209,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1211,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,BCN:B:1203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:1203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,CL:B:1206,invalid,,,,,[Cl-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1V7W,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,NAG:A:1005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,1V7X,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MIX,,,,,,,
,,,CA:A:2501,Part of Protein,,,,,[Ca+2],
,,,CA:B:2502,Part of Protein,,,,,[Ca+2],
,,,UD1:A:2502,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:2501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,2IYA,,,,,,,
,,,UDP:A:1424,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1424,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZIO:A:1425,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,
,,,ZIO:B:1425,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,
,Family. Representative Entry is ,6LF6,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5X7Q,,,,,,,
,,,SO4:A:1711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,MG:B:1601,Part of Protein,,,,,[Mg+2],
,,,MG:A:1602,invalid,,,,,[Mg+2],
,,,MG:A:1605,invalid,,,,,[Mg+2],
,,,MG:B:1602,invalid,,,,,[Mg+2],
,,,MG:A:1601,Part of Protein,,,,,[Mg+2],
,,,MG:A:1604,invalid,,,,,[Mg+2],
,,,MG:A:1603,invalid,,,,,[Mg+2],
,,,MG:B:1604,invalid,,,,,[Mg+2],
,,,MG:B:1606,Part of Protein,,,,,[Mg+2],
,,,MG:B:1605,invalid,,,,,[Mg+2],
,,,MG:A:1606,Part of Protein,,,,,[Mg+2],
,,,MG:B:1603,invalid,,,,,[Mg+2],
,,,GLC:A:1451,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1451,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC AC1:L:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,,GLC AC1:K:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,EDO:B:1805,invalid,,,,,C(CO)O,
,,,EDO:B:1802,invalid,,,,,C(CO)O,
,,,EDO:B:1803,invalid,,,,,C(CO)O,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:B:1801,invalid,,,,,C(CO)O,
,,,EDO:B:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1805,invalid,,,,,C(CO)O,
,,,MES:A:1709,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1709,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1710,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1707,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1705,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1704,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1712,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1703,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1708,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:B:1301,Part of Protein,,,,,[Ca+2],
,,,CA:A:1303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1301,Part of Protein,,,,,[Ca+2],
,,,NI:B:1501,Part of Protein,,,,,[Ni+2],
,,,NI:A:1501,Part of Protein,,,,,[Ni+2],
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC:A:1401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5X7R,,,,,,,
,,,MES:A:1711,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1714,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1708,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1709,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1711,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1716,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1707,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1706,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1705,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1706,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1713,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1704,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1712,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1712,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1708,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:B:1607,Part of Protein,,,,,[Mg+2],
,,,MG:A:1608,Part of Protein,,,,,[Mg+2],
,,,MG:B:1601,Part of Protein,,,,,[Mg+2],
,,,MG:A:1602,Part of Protein,,,,,[Mg+2],
,,,MG:B:1608,Part of Protein,,,,,[Mg+2],
,,,MG:A:1605,invalid,,,,,[Mg+2],
,,,MG:B:1602,Part of Protein,,,,,[Mg+2],
,,,MG:A:1601,Part of Protein,,,,,[Mg+2],
,,,MG:A:1604,Part of Protein,,,,,[Mg+2],
,,,MG:A:1603,invalid,,,,,[Mg+2],
,,,MG:B:1609,Part of Protein,,,,,[Mg+2],
,,,MG:A:1609,Part of Protein,,,,,[Mg+2],
,,,MG:B:1604,Part of Protein,,,,,[Mg+2],
,,,MG:B:1606,invalid,,,,,[Mg+2],
,,,MG:B:1605,invalid,,,,,[Mg+2],
,,,MG:A:1610,invalid,,,,,[Mg+2],
,,,MG:A:1606,invalid,,,,,[Mg+2],
,,,MG:A:1607,Part of Protein,,,,,[Mg+2],
,,,MG:B:1603,invalid,,,,,[Mg+2],
,,,MG:B:1610,Part of Protein,,,,,[Mg+2],
,,,SO4:B:1713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,EDO:B:1802,invalid,,,,,C(CO)O,
,,,EDO:B:1803,invalid,,,,,C(CO)O,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:B:1801,invalid,,,,,C(CO)O,
,,,EDO:B:1804,invalid,,,,,C(CO)O,
,,,CA:B:1301,Part of Protein,,,,,[Ca+2],
,,,CA:A:1303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1301,Part of Protein,,,,,[Ca+2],
,,,NI:B:1501,Part of Protein,,,,,[Ni+2],
,,,NI:A:1502,Part of Protein,,,,,[Ni+2],
,,,NI:B:1502,Part of Protein,,,,,[Ni+2],
,,,NI:A:1501,Part of Protein,,,,,[Ni+2],
,,,BGC:A:1401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:B:1461,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1461,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,GLC AC1:I:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,,GLC AC1:H:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,5X7P,,,,,,,
,,,SO4:B:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:1601,Part of Protein,,,,,[Mg+2],
,,,MG:A:1602,invalid,,,,,[Mg+2],
,,,MG:B:1604,invalid,,,,,[Mg+2],
,,,MG:A:1605,invalid,,,,,[Mg+2],
,,,MG:B:1602,invalid,,,,,[Mg+2],
,,,MG:A:1601,Part of Protein,,,,,[Mg+2],
,,,MG:B:1606,Part of Protein,,,,,[Mg+2],
,,,MG:B:1605,invalid,,,,,[Mg+2],
,,,MG:A:1606,Part of Protein,,,,,[Mg+2],
,,,MG:A:1604,invalid,,,,,[Mg+2],
,,,MG:B:1603,invalid,,,,,[Mg+2],
,,,MG:A:1603,invalid,,,,,[Mg+2],
,,,EDO:B:1802,invalid,,,,,C(CO)O,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1804,invalid,,,,,C(CO)O,
,,,EDO:B:1803,invalid,,,,,C(CO)O,
,,,EDO:B:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:B:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,CA:A:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1301,Part of Protein,,,,,[Ca+2],
,,,CA:A:1303,Part of Protein,,,,,[Ca+2],
,,,CA:B:1302,Part of Protein,,,,,[Ca+2],
,,,CA:B:1303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1301,Part of Protein,,,,,[Ca+2],
,,,MES:A:1707,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1709,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1711,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1705,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1705,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1703,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1708,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NI:A:1501,Part of Protein,,,,,[Ni+2],
,,,NI:B:1501,Part of Protein,,,,,[Ni+2],
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:L:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:J:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:G:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:I:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:H:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC AC1:K:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,,GLC AC1:F:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,Family. Representative Entry is ,4UDG,,,,,,,
,,,K:D:333,Part of Protein,,,,,[K+],
,,,K:A:333,Part of Protein,,,,,[K+],
,,,K:E:333,Part of Protein,,,,,[K+],
,,,K:F:333,Part of Protein,,,,,[K+],
,,,K:B:333,Part of Protein,,,,,[K+],
,,,K:C:333,Part of Protein,,,,,[K+],
,,,NDG:F:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:E:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:329,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,PO4:B:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:331,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:330,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:330,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:597,invalid,,,,,C(CO)O,
,,,EDO:A:569,invalid,,,,,C(CO)O,
,,,EDO:E:570,invalid,,,,,C(CO)O,
,,,EDO:E:569,invalid,,,,,C(CO)O,
,,,EDO:F:569,invalid,,,,,C(CO)O,
,,4UDJ,,,,,,,
,,,K:D:333,Part of Protein,,,,,[K+],
,,,K:A:333,Part of Protein,,,,,[K+],
,,,K:A:607,Part of Protein,,,,,[K+],
,,,K:A:606,Part of Protein,,,,,[K+],
,,,K:F:333,Part of Protein,,,,,[K+],
,,,K:B:333,Part of Protein,,,,,[K+],
,,,K:C:333,Part of Protein,,,,,[K+],
,,,K:E:333,Part of Protein,,,,,[K+],
,,,PGE:A:608,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:600,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:596,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:599,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:580,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:592,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:587,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:598,invalid,,,,,C(CO)O,
,,,EDO:E:579,invalid,,,,,C(CO)O,
,,,EDO:A:569,invalid,,,,,C(CO)O,
,,,EDO:D:583,invalid,,,,,C(CO)O,
,,,EDO:F:579,invalid,,,,,C(CO)O,
,,,EDO:A:348,invalid,,,,,C(CO)O,
,,,EDO:F:569,invalid,,,,,C(CO)O,
,,,EDO:D:584,invalid,,,,,C(CO)O,
,,,EDO:E:580,invalid,,,,,C(CO)O,
,,,EDO:D:588,invalid,,,,,C(CO)O,
,,,EDO:C:594,invalid,,,,,C(CO)O,
,,,BMA:C:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:F:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:E:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:D:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PO4:A:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4KTP,,,,,,,
,,,1PE:A:802,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PG4:B:802,invalid,,,,,C(COCCOCCOCCO)O,
,,4KTR,,,,,,,
,,,GOL:H:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:805,invalid,,,,,C(C(CO)O)O,
,,,IFM:E:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:D:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:A:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:H:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:G:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:F:801,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,PGE:A:812,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:807,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:805,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:806,invalid,,,,,C(COCCOCCO)O,
,,,1PE:C:801,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:802,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:802,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PG4:D:803,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:803,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:803,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:801,invalid,,,,,C(COCCOCCOCCO)O,
,,,PE5:H:808,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,CA:D:813,Part of Protein,,,,,[Ca+2],
,,,CA:B:809,Part of Protein,,,,,[Ca+2],
,,,CA:E:808,Part of Protein,,,,,[Ca+2],
,,,CA:A:813,Part of Protein,,,,,[Ca+2],
,,,CA:C:810,Part of Protein,,,,,[Ca+2],
,,,CA:G:806,Part of Protein,,,,,[Ca+2],
,,,CA:D:814,Part of Protein,,,,,[Ca+2],
,,,7PE:B:802,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:D:808,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,PE4:C:805,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,P6G:E:803,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:806,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5OA6,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,9PT:A:601,valid,Kd,=,3.1,uM,c1ccc2c(c1)ccc[n+]2CCCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OA2,,,,,,,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:C:617,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9PW:C:604,valid,Kd,=,9.8,uM,c1cc(ccc1COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)[N+](=O)O,
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5O9Q,,,,,,,
,,,9PH:A:604,valid,Kd,=,6.2,uM,c1ccc(cc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5O9Y,,,,,,,
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,9PN:A:601,valid,Kd,=,4.6,uM,c1cc[n+](cc1)CCCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,
,,5O9O,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,9PB:A:601,valid,Kd,=,13,uM,c1ccc2cc(ccc2c1)COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O,
,,2W63,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5O9R,,,,,,,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,9PK:A:604,valid,Kd,=,4.09,uM,c1cc(sc1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,
,,2W62,,,,,,,
,,,BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BU1:A:1500,invalid,,,,,C(CCO)CO,
,,5O9P,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,9P8:A:601,valid,Kd,=,8.06,uM,c1ccnc(c1)COCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O,
,Family. Representative Entry is ,4UDK,,,,,,,
,,,K:D:333,Part of Protein,,,,,[K+],
,,,K:A:333,Part of Protein,,,,,[K+],
,,,K:F:333,Part of Protein,,,,,[K+],
,,,K:B:333,Part of Protein,,,,,[K+],
,,,K:C:333,Part of Protein,,,,,[K+],
,,,K:E:333,Part of Protein,,,,,[K+],
,,,GOL:C:331,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:331,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:332,invalid,,,,,C(CO)O,
,,,EDO:F:569,invalid,,,,,C(CO)O,
,,,EDO:F:331,invalid,,,,,C(CO)O,
,,,EDO:D:332,invalid,,,,,C(CO)O,
,,,EDO:E:569,invalid,,,,,C(CO)O,
,,,BMA:C:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:F:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:E:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:D:329,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PO4:A:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NDG:F:330,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:330,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:E:330,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:330,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:330,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BMA NDG:B:329,valid,,,,,,
,,,PGE:D:331,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:331,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:331,invalid,,,,,C(COCCOCCO)O,
3.5.1.4,,,,,,,,,
,Family. Representative Entry is ,3A1I,,,,,,,
,,,UNU:A:522,valid,,,,,c1ccc(cc1)C(=O)N,
5.1.3.13,,,,,,,,,
,Family. Representative Entry is ,1DZT,,,,,,,
,,,ATY:B:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)OC(=O)C,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPE:A:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)Oc3ccccc3)OC(=O)C,
,Family. Representative Entry is ,1EPZ,,,,,,,
,,,TYD:A:2187,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2IXC,,,,,,,
,,,TRH:A:1199,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:1199,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:C:1199,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:D:1199,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,Family. Representative Entry is ,1NYW,,,,,,,
,,,DAU:A:9001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:5001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,1NZC,,,,,,,
,,,NI:B:9603,Part of Protein,,,,,[Ni+2],
,,,NI:C:9602,Part of Protein,,,,,[Ni+2],
,,,TDX:A:9002,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,,TDX:B:9001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,,TDX:C:9003,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,,TDX:D:9004,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,2IXL,,,,,,,
,,,NI:A:1199,Part of Protein,,,,,[Ni+2],
,,,NI:C:1199,Part of Protein,,,,,[Ni+2],
,,,TRH:A:1198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:1198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:C:1198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:D:1198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
1.8.1.2,,,,,,,,,
,Family. Representative Entry is ,6EFV,,,,,,,
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CXS:A:610,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:A:609,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,FMN:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1DDG,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
5.3.1.24,,,,,,,,,
,Family. Representative Entry is ,2Y88,,,,,,,
,,,2ER:A:1246,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=N/CC(=O)[C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)N,
,,2Y85,,,,,,,
,,,137:A:1247,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:B:1247,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:C:1247,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,137:D:1247,valid,,,,,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:1246,invalid,,,,,[Cl-],
,,,CL:B:1246,invalid,,,,,[Cl-],
,,,CL:C:1246,invalid,,,,,[Cl-],
,,,CL:D:1246,invalid,,,,,[Cl-],
,,,NA:A:1245,Part of Protein,,,,,[Na+],
,,,NA:A:1248,Part of Protein,,,,,[Na+],
,,,NA:A:1249,Part of Protein,,,,,[Na+],
,,,NA:B:1245,Part of Protein,,,,,[Na+],
,,,NA:B:1248,Part of Protein,,,,,[Na+],
,,,NA:C:1245,Part of Protein,,,,,[Na+],
,,,NA:C:1248,Part of Protein,,,,,[Na+],
,,,NA:C:1249,Part of Protein,,,,,[Na+],
,,,NA:D:1245,Part of Protein,,,,,[Na+],
,,,NA:D:1248,Part of Protein,,,,,[Na+],
,,,NA:D:1249,Part of Protein,,,,,[Na+],
3.4.23.1,,,,,,,,,
,Family. Representative Entry is ,1QRP,,,,,,,
,,,HH0:E:327,valid,,,,,C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O)[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,
,,1PSO,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:1,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
1.1.1.267,,,,,,,,,
,Family. Representative Entry is ,4OOE,,,,,,,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FOM:D:500,valid,Ki,=,14,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:A:500,valid,Ki,=,14,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:C:500,valid,Ki,=,14,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:B:500,valid,Ki,=,14,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:501,Part of Protein,,,,,[Mn+2],
,,2JCV,,,,,,,
,,,FOM:A:1390,valid,ic50,=,80,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,NDP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZHZ,,,,,,,
,,,FM7:A:1390,valid,Kd,=,0.09,uM,c1ccc(c(c1)C(=O)N(CC[C@@H](c2ccc(c(c2)Cl)Cl)P(=O)(O)O)O)Nc3cccc(c3)C(F)(F)F,
,,2JD1,,,,,,,
,,,MN:A:1391,Part of Protein,,,,,[Mn+2],
,,,MN:B:1390,Part of Protein,,,,,[Mn+2],
,,,NDP:A:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JCX,,,,,,,
,,,FOM:A:1390,valid,ic50,=,80,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,NDP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AIC,,,,,,,
,,,FOM:A:1390,valid,ic50,=,80,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,MN:A:1392,Part of Protein,,,,,[Mn+2],
,,,MN:B:1390,Part of Protein,,,,,[Mn+2],
,,,NDP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4RCV,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,PO3:B:403,invalid,,,,,[O-][P-](=O)[O-],
,,,PO3:A:404,invalid,,,,,[O-][P-](=O)[O-],
,,,DE2:A:403,valid,,,,,CC(=O)[C@H](CO)O,
,,,NDP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2Y1F,,,,,,,
,,,34F:A:1390,valid,ic50,=,15,uM,c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl,
,,,MN:A:1392,Part of Protein,,,,,[Mn+2],
,,,MN:B:1390,Part of Protein,,,,,[Mn+2],
,,,NDP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZI0,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,FM8:A:501,valid,Kd,=,0.04,uM,c1ccc(c(c1)Cn2cncn2)C(=O)N(CC[C@@H](c3ccc(c(c3)Cl)Cl)P(=O)(O)O)O,
,,4A03,,,,,,,
,,,F98:A:501,valid,ic50,=,160,nM,CC(=O)N(CCCP(=O)(O)O)O,
,,,F98:B:501,valid,ic50,=,160,nM,CC(=O)N(CCCP(=O)(O)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,NDP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2Y1D,,,,,,,
,,,34F:A:1390,valid,,,,,c1cc(c(cc1[C@H](CCN(C=O)O)P(=O)(O)O)Cl)Cl,
,,,MN:A:1391,Part of Protein,,,,,[Mn+2],
,,,MN:B:1390,Part of Protein,,,,,[Mn+2],
,,2Y1G,,,,,,,
,,,FM5:A:1390,valid,ic50,=,0.7,uM,CC(=O)N(CC[C@@H](c1ccc(c(c1)Cl)Cl)P(=O)(O)O)O,
,,,MN:A:1391,Part of Protein,,,,,[Mn+2],
,,,MN:B:1390,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OOF,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,FOM:A:402,valid,Ki,=,60,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:B:402,valid,Ki,=,60,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,NDP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2JD0,,,,,,,
,,,NDP:A:1390,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3WQQ,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,IB3:B:505,valid,ic50,=,0.01,uM,Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O,
,,,IB3:A:503,valid,ic50,=,0.01,uM,Cc1ccc(cc1)[C@H](CCC(=O)N(C)O)P(=O)(O)O,
,,3WQR,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,LSX:B:505,valid,ic50,=,0.02,uM,CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O,
,,,LSX:A:503,valid,ic50,=,0.02,uM,CN(C(=O)CC[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,3WQS,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,KBK:B:503,valid,ic50,=,0.05,uM,CN(C(=O)CO[C@@H](c1ccc(cc1)OC)P(=O)(O)O)O,
,Family. Representative Entry is ,1Q0H,,,,,,,
,,,CIT:A:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FOM:A:400,valid,Ki,~,21,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3ANL,,,,,,,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SYC:A:800,valid,ic50,=,4.6,uM,c1ccnc(c1)CP(=O)(O)O,
,,,SYC:B:801,valid,ic50,=,4.6,uM,c1ccnc(c1)CP(=O)(O)O,
,,2EGH,,,,,,,
,,,FOM:A:1001,valid,Ki,=,38,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:B:2001,valid,Ki,=,38,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,NDP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1T1S,,,,,,,
,,,CBQ:A:2001,valid,ic50,=,7,uM,c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O,
,,,CBQ:B:3001,valid,ic50,=,7,uM,c1cc(ncc1Cl)NC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ONP,,,,,,,
,,,FOM:A:1001,valid,,,,,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:B:1001,valid,,,,,C(CN(C=O)O)CP(=O)(O)O,
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,3ANM,,,,,,,
,,,NDP:A:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:410,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SYD:A:800,valid,ic50,=,0.84,uM,c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O,
,,,SYD:B:801,valid,ic50,=,0.84,uM,c1ccc(cc1)c2ccc(nc2)CP(=O)(O)O,
,,1JVS,,,,,,,
,,,NDP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T1R,,,,,,,
,,,IMB:A:3001,valid,ic50,=,4,uM,c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O,
,,,IMB:B:2001,valid,ic50,=,4,uM,c1ccc2c(c1)ccnc2NC(P(=O)(O)O)P(=O)(O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Q0Q,,,,,,,
,,,DXP:A:701,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:B:702,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,NDP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3R0I,,,,,,,
,,,C0K:A:991,valid,ic50,=,0.12,uM,CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O,
,,,C0K:B:991,valid,ic50,=,0.12,uM,CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O,
,,,MN:A:990,Part of Protein,,,,,[Mn+2],
,,,MN:B:990,Part of Protein,,,,,[Mn+2],
,,3ANN,,,,,,,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SYE:A:800,valid,ic50,=,15.9,uM,c1ccc2c(c1)ccc(n2)CP(=O)(O)O,
,,,SYE:B:801,valid,ic50,=,15.9,uM,c1ccc2c(c1)ccc(n2)CP(=O)(O)O,
,Family. Representative Entry is ,3A06,,,,,,,
,,,FOM:A:900,valid,ic50,~,100,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,FOM:B:901,valid,ic50,~,100,nM,C(CN(C=O)O)CP(=O)(O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,NDP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:3003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3A14,,,,,,,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MPD:A:800,valid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:801,valid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:3003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4KP7,,,,,,,
,,,MN3:A:501,Part of Protein,,,,,[Mn+3],
,,,MN3:B:501,Part of Protein,,,,,[Mn+3],
,,,1UQ:B:502,valid,ic50,=,9.4,nM,CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O,
,,,1UQ:A:503,valid,ic50,=,9.4,nM,CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O,
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4Y6P,,,,,,,
,,,R77:B:501,valid,ic50,=,0.069,uM,CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O,
,,,R77:A:501,valid,ic50,=,0.069,uM,CN(C(=O)C[C@@H](CCCCc1ccccc1)CP(=O)(O)O)O,
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,5JMP,,,,,,,
,,,LC7:A:501,valid,ic50,=,0.067,uM,CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O,
,,,LC7:B:502,valid,ic50,=,0.067,uM,CN(C(=O)C[C@@H](CCCc1cccc(c1)F)CP(=O)(O)O)O,
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,6LB:A:504,invalid,,,,,CCN1CCOCC1,
,,,6LB:B:505,invalid,,,,,CCN1CCOCC1,
,,5JMW,,,,,,,
,,,MPD:B:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,L50:A:501,valid,ic50,=,0.175,uM,Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O,
,,,L50:B:501,valid,ic50,=,0.175,uM,Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,5JBI,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,6J8:A:501,valid,ic50,=,0.12,uM,CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O,
,,,6J8:B:501,valid,ic50,=,0.12,uM,CN(C(=O)C[C@@H](CCCc1ccc(cc1)OC)CP(=O)(O)O)O,
,,4Y6R,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RF7:A:501,valid,ic50,=,3.3,uM,CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O,
,,,RF7:B:501,valid,ic50,=,3.3,uM,CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,4GAE,,,,,,,
,,,MN:B:506,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:B:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,FOQ:B:503,valid,Ki,=,0.013,uM,CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O,
,,,FOQ:A:503,valid,Ki,=,0.013,uM,CC(=O)N(CC[C@@H](c1ccncc1)P(=O)(O)O)O,
,,,FOB:B:502,valid,Ki,=,0.013,uM,CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O,
,,,FOB:A:502,valid,Ki,=,0.013,uM,CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O,
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,4Y67,,,,,,,
,,,RC5:B:501,valid,ic50,=,0.117,uM,CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O,
,,,RC5:A:501,valid,ic50,=,0.117,uM,CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,5JO0,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,6LR:A:509,invalid,,,,,C1COCCN1,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,L56:A:501,valid,ic50,=,0.05,uM,Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O,
,,,L56:B:501,valid,ic50,=,0.05,uM,Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(=O)(O)O,
,,5JAZ,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,LC5:A:501,valid,ic50,=,0.28,uM,CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O,
,,,LC5:B:501,valid,ic50,=,0.28,uM,CN(C(=O)C[C@@H](CCCc1cccc2c1cccc2)CP(=O)(O)O)O,
,,4Y6S,,,,,,,
,,,48S:B:502,valid,ic50,=,9.3,uM,Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O,
,,,48S:A:502,valid,ic50,=,9.3,uM,Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5JC1,,,,,,,
,,,6JB:A:501,valid,ic50,=,0.15,uM,CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O,
,,,6JB:B:502,valid,ic50,=,0.15,uM,CN(C(=O)C[C@@H](CCCc1cccc(c1)OC)CP(=O)(O)O)O,
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,5JNL,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,L54:B:501,valid,ic50,=,0.27,uM,CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O,
,,,L54:A:501,valid,ic50,=,0.27,uM,CN(C(=O)C[C@@H](CCCc1ccc(cc1)C(F)(F)F)CP(=O)(O)O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
1.1.1.31,,,,,,,,,
,Family. Representative Entry is ,5JE8,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,2CVZ,,,,,,,
,,,NDP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5Y8L,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,9ON:B:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:304,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:A:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,HUI:B:302,valid,,,,,C[C@@H](CO)C(=O)O,
,,5Y8M,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,AKR:A:304,invalid,,,,,C=CC(=O)O,
,,,HIU:B:302,valid,,,,,C[C@H](CO)C(=O)O,
,,,9ON:B:303,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:A:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,5Y8O,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AKR:A:301,invalid,,,,,C=CC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,9ON:A:303,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:304,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,3OH:B:302,valid,,,,,C(CO)C(=O)O,
,,5Y8K,,,,,,,
,,,SER:B:301,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:A:301,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,AKR:A:306,invalid,,,,,C=CC(=O)O,
,,,AKR:B:305,invalid,,,,,C=CC(=O)O,
,,,AKR:A:305,invalid,,,,,C=CC(=O)O,
,,,9ON:B:304,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:A:304,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,5Y8H,,,,,,,
,,,AKR:B:303,invalid,,,,,C=CC(=O)O,
,,,AKR:A:302,invalid,,,,,C=CC(=O)O,
,,,AKR:B:302,invalid,,,,,C=CC(=O)O,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,9ON:B:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:A:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,5Y8I,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,HUI:B:301,valid,,,,,C[C@@H](CO)C(=O)O,
,,,9ON:A:303,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:304,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,5Y8J,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,AKR:A:304,invalid,,,,,C=CC(=O)O,
,,,AKR:A:305,invalid,,,,,C=CC(=O)O,
,,,AKR:B:304,invalid,,,,,C=CC(=O)O,
,,,9ON:A:306,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,HIU:B:301,valid,,,,,C[C@H](CO)C(=O)O,
,,5Y8P,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,9ON:A:302,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,9ON:B:305,invalid,,,,,C[C@@H](CCC(=O)O)C(=O)O,
,,,AKR:B:304,invalid,,,,,C=CC(=O)O,
,,,3OH:B:301,valid,,,,,C(CO)C(=O)O,
,Family. Representative Entry is ,1WP4,,,,,,,
,,,NDP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
1.2.1.16,,,,,,,,,
,Family. Representative Entry is ,3JZ4,,,,,,,
,,,NAP:A:482,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:482,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:482,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:482,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.4.2.28,,,,,,,,,
,Family. Representative Entry is ,5F7J,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:E:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FAK,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:E:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:D:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5F7O,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5F77,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5F7X,,,,,,,
,,,TBN:A:301,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,TBN:B:301,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,TBN:C:301,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5F76,,,,,,,
,,,MTA:B:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:A:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JE1,,,,,,,
,,,GMP:A:1260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:2260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:C:3260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:D:4260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:E:5260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:F:6260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:6250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JDV,,,,,,,
,,,ADN:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:2260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:3260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:E:4260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:6250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JDT,,,,,,,
,,,MTA:A:1260,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:2260,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:3260,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JDZ,,,,,,,
,,,FMB:A:270,valid,,,,,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:B:275,valid,,,,,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,FMB:C:280,valid,,,,,C1=Nc2c(n[nH]c2C(=O)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ODJ,,,,,,,
,,,GMP:A:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:C:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:D:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:E:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:F:1237,valid,Kd,=,80,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,SO4:A:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ODI,,,,,,,
,,,ADN:A:1237,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1237,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:1238,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:1237,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:E:1237,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:F:1238,valid,Kd,=,62,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,SO4:A:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1237,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1237,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2A8Y,,,,,,,
,,,MTA:A:4003,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:4006,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:4009,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:4012,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:E:4015,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:F:4018,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:G:4021,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:H:4024,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:I:4027,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:J:4030,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:K:4033,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:L:4036,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:4000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:4013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:4016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:4019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:4020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:4017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:4022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:4023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:4014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:4025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:4026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:4028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:4029,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:4008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:4031,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:4032,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:4005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:4034,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:4035,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T94,,,,,,,
,,,MTA:A:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:E:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:F:901,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6DYZ,,,,,,,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,OS2:A:307,valid,Kd,=,0.63,nM,C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1CB0,,,,,,,
,,,ADE:A:290,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1SD2,,,,,,,
,,,MTH:A:285,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O,
,,,SO4:A:284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CG6,,,,,,,
,,,MTA:A:292,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1K27,,,,,,,
,,,MTM:A:401,valid,Ki,=,1,nM,CSC[C@@H]1[C@H]([C@H]([C@@H](N1)c2c[nH]c3c2N=CNC3N)O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1SD1,,,,,,,
,,,FMC:A:1330,valid,,,,,c1nc2c(c(n1)N)[nH]nc2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,6DZ0,,,,,,,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,OS3:A:307,valid,Kd,=,0.94,nM,C#CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncnc3N,
,,6DZ3,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,OS6:C:307,valid,Kd,=,1.3,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,OS6:A:306,valid,Kd,=,1.3,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,OS6:B:303,valid,Kd,=,1.3,nM,CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c3ncnc4N,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,6DZ2,,,,,,,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,OS5:B:303,valid,Kd,=,1.4,nM,c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N,
,,,OS5:A:307,valid,Kd,=,1.4,nM,c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N,
,,,OS5:C:308,valid,Kd,=,1.4,nM,c1ccc(cc1)Cn2cc(nn2)CCCSC[C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:C:307,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,ACY:A:306,invalid,,,,,CC(=O)O,
3.1.3.45,,,,,,,,,
,Family. Representative Entry is ,4UME,,,,,,,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,,MG:A:1178,invalid,,,,,[Mg+2],
,,,MG:A:1177,invalid,,,,,[Mg+2],
,,,MG:A:1176,invalid,,,,,[Mg+2],
,,,KDO:A:1174,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,4UMD,,,,,,,
,,,CIT:A:1174,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4UMF,,,,,,,
,,,MG:C:1175,Part of Protein,,,,,[Mg+2],
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,,MG:D:1175,Part of Protein,,,,,[Mg+2],
,,,MG:B:1175,Part of Protein,,,,,[Mg+2],
,,,KDO:B:1176,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:B:1177,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:C:1176,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:A:1176,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,PO4:A:1174,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1178,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1174,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1174,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1174,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1178,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3I6B,,,,,,,
,,,KDO:B:900,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,KDO:D:900,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:204,Part of Protein,,,,,[Mg+2],
,,,MG:D:203,Part of Protein,,,,,[Mg+2],
,,,PO4:A:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4HGP,,,,,,,
,,,VN4:A:202,invalid,,,,,[O-][V](=O)=O,
,,,KDO:A:203,valid,,,,,C1[C@H]([C@H]([C@H](O[C@]1(C(=O)O)O)[C@@H](CO)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
5.2.1.8,,,,,,,,,
,Family. Representative Entry is ,4LAX,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,FK5:A:301,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,1YND,,,,,,,
,,,SFA:A:401,valid,ic50,=,3.6,nM,CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CCC=CC=C(/C)[C@@H]3CC=CC=C[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C,
,,,SFA:B:402,valid,ic50,=,3.6,nM,CC[C@H]1C[C@@H]([C@@]2([C@H]([C@H]([C@H]([C@@H](O2)C[C@@H]([C@@H](C)CCC=CC=C(/C)[C@@H]3CC=CC=C[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O3)Cc5cccc(c5)O)C(C)C)CCC(=O)C)O)C)O)O)C)O)C)NC1=O)C,
,,5NOR,,,,,,,
,,,93Q:A:202,valid,,,,,Cc1cccnc1N,
,,,93Q:A:201,valid,,,,,Cc1cccnc1N,
,,5T9W,,,,,,,
,,,78E:A:300,valid,Kd,=,2600,nM,CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](N2)C(=O)OCC/C=C/C=C/CCCCC(=O)N1)Cc3cccc(c3)O,
,,5NOV,,,,,,,
,,,93B:A:201,valid,,,,,C1CNC(=S)NC1,
,,6X4O,,,,,,,
,,,UO7:A:400,valid,Kd,=,10,nM,C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C,
,,5NOS,,,,,,,
,,,92Z:A:201,valid,,,,,C1C=C(C(=O)N=C1)N,
,,4DGB,,,,,,,
,,,PRO GLY PRO LEU PRO ALA:B:86,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)CNC(=O)C3[NH2+]CCC3)CCC2)CC(C)C)CCC1)C,
,,1W8L,,,,,,,
,,,1P3:A:1166,valid,Ki,=,320,mM,C[C@@H]1CCCN(C1)C(=O)C,
,,5T9U,,,,,,,
,,,7HG:C:300,valid,Kd,=,25,nM,C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC,
,,,7HG:D:300,valid,Kd,=,25,nM,C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC,
,,,7HG:A:300,valid,Kd,=,25,nM,C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC,
,,,7HG:B:300,valid,Kd,=,25,nM,C[C@H]1[C@H](/C=C/C=C/CCOC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1OC)C)C(C)C)Cc3cccc(c3)O)OC,
,,1AWV,,,,,,,
,,,HIS VAL GLY PRO ILE ALA:G:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,,HIS VAL GLY PRO ILE ALA:H:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,,HIS VAL GLY PRO ILE ALA:I:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,,HIS VAL GLY PRO ILE ALA:J:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,,HIS VAL GLY PRO ILE ALA:K:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,,HIS VAL GLY PRO ILE ALA:L:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,5TA2,,,,,,,
,,,78X:A:300,valid,Kd,=,11,nM,C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)Cc4cccc(c4)O)C(C)C)C)OC,
,,5NOT,,,,,,,
,,,938:A:201,valid,,,,,c1c(c(ncn1)Cl)N,
,,,938:A:202,valid,,,,,c1c(c(ncn1)Cl)N,
,,5T9Z,,,,,,,
,,,78R:A:300,valid,Kd,=,64,nM,C[C@@H]1[C@@H](CC/C=C/c2cccc(c2)COC(=O)[C@@H]3CCCN(N3)C(=O)[C@@H](NC(=O)[C@@H](NC1=O)C(C)C)Cc4cccc(c4)O)OC,
,,5NOX,,,,,,,
,,,L97:A:201,valid,,,,,c1cc(c(nc1)Cl)N,
,,5CYH,,,,,,,
,,,GLY PRO:A:201,valid,,,,,O=C(CN)N1C(C(=O)[O-])CCC1,
,,2CYH,,,,,,,
,,,ALA PRO:A:201,valid,,,,,O=C(C(N)C)N1C(C(=O)[O-])CCC1,
,,1AWU,,,,,,,
,,,HIS VAL GLY PRO ILE ALA:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C(C)C)CCC1)C(CC)C)C,
,,1VBT,,,,,,,
,,,ALA ALT PRO PHE NIT:C:1,valid,,,,,S=C(C(NC(=O)C([NH3+])C)C)N1C(C(=O)NC(C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CCC1,
,,,ALA ALT PRO PHE NIT:D:1,valid,,,,,S=C(C(NC(=O)C([NH3+])C)C)N1C(C(=O)NC(C(=O)Nc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)CCC1,
,,5TA4,,,,,,,
,,,838:A:201,valid,Kd,=,24,nM,C[C@@H]1c2cccc(c2)/C=C/CC[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H](N3)C(=O)O1)C)C(C)C)C)OC,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NOY,,,,,,,
,,,93K:A:201,valid,,,,,c1cc(c(cc1C(=O)N)N)N,
,,6X4P,,,,,,,
,,,UOG:A:400,valid,Kd,=,14,nM,C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C(C)C)(C)C,
,,6X4Q,,,,,,,
,,,UOJ:A:400,valid,Kd,=,9,nM,C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C,
,,5NOZ,,,,,,,
,,,L99:A:201,valid,,,,,c1cc(c(cc1C(=O)NN)N)N,
,,3CYH,,,,,,,
,,,SER PRO:A:201,valid,,,,,O=C(C(N)CO)N1C(C(=O)[O-])CCC1,
,,1NMK,,,,,,,
,,,SFM:A:166,valid,ic50,=,5.7,nM,C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O,
,,,SFM:B:201,valid,ic50,=,5.7,nM,C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)[C@@H]2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)Cc3cccc(c3)O)/C(=C/CO)/C)O,
,,6X4N,,,,,,,
,,,UOD:A:400,valid,Kd,=,4,nM,C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C,
,,5NOW,,,,,,,
,,,L89:A:201,valid,,,,,c1cncc(c1N)N,
,,6X3Y,,,,,,,
,,,UMM:A:600,valid,Kd,=,10000,nM,CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C,
,,6X4M,,,,,,,
,,,UMM:A:400,valid,Kd,=,11000,nM,CC(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)OCCCCOC(=O)[C@@H]3CCCN(C1=O)N3)NC(=O)OC(C)(C)C,
,,4CYH,,,,,,,
,,,HIS PRO:A:201,valid,,,,,O=C(C(N)Cc1nc[nH]c1)N1C(C(=O)[O-])CCC1,
,,1RMH,,,,,,,
,,,SIN ALA ALA PRO PHE NIT:C:1,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH2+]C(=O)CCC(=O)[O-])C)C)CCC2)Cc2ccccc2)cc1,
,,,SIN ALA ALA PRO PHE NIT:D:1,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH2+]C(=O)CCC(=O)[O-])C)C)CCC2)Cc2ccccc2)cc1,
,,1AWR,,,,,,,
,,,HIS ALA GLY PRO ILE ALA:G:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,,HIS ALA GLY PRO ILE ALA:H:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,,HIS ALA GLY PRO ILE ALA:I:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,,HIS ALA GLY PRO ILE ALA:J:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,,HIS ALA GLY PRO ILE ALA:K:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,,HIS ALA GLY PRO ILE ALA:L:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,1AWQ,,,,,,,
,,,HIS ALA GLY PRO ILE ALA:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C([NH3+])Cc2nc[nH]c2)C)CCC1)C(CC)C)C,
,,5LUD,,,,,,,
,,,76X:A:201,valid,,,,,c1cc(c(nc1)N)N,
,,1VBS,,,,,,,
,,,ALA DAL PRO PHE NIT:B:2,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C([NH3+])C)C)CCC2)Cc2ccccc2)cc1,
,,5NOQ,,,,,,,
,,,93E:A:201,valid,,,,,c1cc(c(nc1)N)Cl,
,,,93E:A:202,valid,,,,,c1cc(c(nc1)N)Cl,
,,1W8M,,,,,,,
,,,E1P:A:1166,valid,Ki,=,25,mM,CCOC(=O)C(=O)N1CCCCC1,
,,6X3R,,,,,,,
,,,ZXX:A:400,valid,Kd,=,30000,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O)C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C,
,,5NOU,,,,,,,
,,,L60:A:203,valid,,,,,C1CNC(=O)NC1,
,,,L60:A:201,valid,,,,,C1CNC(=O)NC1,
,,,L60:A:202,valid,,,,,C1CNC(=O)NC1,
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1V9T,,,,,,,
,,,SIN ALA PRO ALA NIT:C:1,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C([NH2+]C(=O)CCC(=O)[O-])C)CCC2)C)cc1,
,,1VAI,,,,,,,
,,,ACE ALA ALA PRO ALA MCM:C:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)Nc2cc3OC(O)=CC(=C)c3cc2)C)CCC1)C)C(NC=O)C,
,Family. Representative Entry is ,6TX4,,,,,,,
,,,NA:A:202,invalid,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,HRZ:A:204,valid,Kd,=,1.3,nM,C1=CC(=O)NC=C1,
,,,HRZ:A:205,valid,Kd,=,1.3,nM,C1=CC(=O)NC=C1,
,,,CL:A:201,invalid,,,,,[Cl-],
,,4JFK,,,,,,,
,,,JFK:A:201,valid,Kd,=,0.36,uM,COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5,
,,4JFJ,,,,,,,
,,,1KU:A:201,valid,Ki,=,2.1,uM,COc1ccc(cc1OC)OCCN2CC[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)scn5,
,,4DRO,,,,,,,
,,,0MD:A:201,valid,ic50,=,3.9,uM,CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O,
,,6TXX,,,,,,,
,,,37K:A:201,valid,,,,,COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6,
,,6TX7,,,,,,,
,,,NA:A:202,invalid,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,V1L:A:204,valid,Kd,=,2.7,nM,C1CCNC(=O)C1,
,,,V1L:A:205,valid,Kd,=,2.7,nM,C1CCNC(=O)C1,
,,,CL:A:201,invalid,,,,,[Cl-],
,,6SAF,,,,,,,
,,,L2Q:A:201,valid,Ki,=,0.23,uM,COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=O)[C@H]6[C@H]5CCCC6,
,,4DRP,,,,,,,
,,,0MD:A:201,valid,ic50,=,3.9,uM,CC[C@H]1CCCC[C@@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O,
,,4TX0,,,,,,,
,,,384:A:201,valid,Ki,=,132,nM,COCCN1C[C@@H]([C@H]2CCC[C@@H](C1=O)N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)OCCOC,
,,6TX5,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:201,invalid,,,,,[Na+],
,,,4MZ:A:203,valid,Kd,=,2.9,nM,Cc1c[nH]cn1,
,,4DRQ,,,,,,,
,,,0OS:A:201,valid,ic50,=,22.6,uM,COc1ccc(cc1OC)CC[C@@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3S(=O)(=O)c4cc(cc(c4)Cl)Cl,
,,4W9O,,,,,,,
,,,3JQ:E:201,valid,,,,,COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O,
,,,3JQ:A:201,valid,,,,,COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@H](CO)O,
,,,ACT:E:202,invalid,,,,,CC(=O)[O-],
,,,ACT:E:203,invalid,,,,,CC(=O)[O-],
,,4TW6,,,,,,,
,,,37L:A:201,valid,Ki,=,61000,nM,COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)OC(=O)[C@@H]3CCCCN3C(=O)[C@@H](CC=C)c4cc(c(c(c4)OC)OC)OC,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,NA:A:203,invalid,,,,,[Na+],
,,4JFI,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,1KT:A:201,valid,Ki,=,18.1,uM,COc1cc2c(c(c1)OC)[C@@H]3[C@H]4CCC[C@H](N4C(=O)C(=O)c5cc(c(c(c5)OC)OC)OC)C(=O)N3CC2,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,5OBK,,,,,,,
,,,9QN:A:201,valid,,,,,c1ccnc(c1)CN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)CO,
,,4JFL,,,,,,,
,,,1KY:A:201,valid,Kd,=,10.5,uM,COc1ccc(cc1OC)OCCN2C[C@H]3CCC[C@@H](C2=O)[N@@]3S(=O)(=O)c4ccc5c(c4)SC(=O)N5,
,,4W9Q,,,,,,,
,,,3JP:A:201,valid,,,,,CC[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(cc(c3)Cl)Cl)CCOc4ccc(c(c4)OC)OC,
,,5DIT,,,,,,,
,,,5B8:A:201,valid,Ki,=,0.7,uM,C[C@H]([C@H](C1CCCCC1)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCCN5CCOCC5)O,
,,5BXJ,,,,,,,
,,,NPO:A:201,valid,Kd,=,0.000227,M,c1cc(ccc1[N+](=O)[O-])O,
,,5DIU,,,,,,,
,,,5BG:A:201,valid,Ki,=,0.043,uM,COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCC(=O)O)NC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC)C5CCCCC5,
,,3O5R,,,,,,,
,,,FK5:A:1001,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,4W9P,,,,,,,
,,,3JR:E:201,valid,,,,,COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O,
,,,3JR:A:201,valid,,,,,COc1ccc(cc1OC)OCCN2C[C@@H]([C@H]3CCC[C@@H](C2=O)N3S(=O)(=O)c4cc(cc(c4)Cl)Cl)[C@@H](CO)O,
,,,ACT:E:202,invalid,,,,,CC(=O)[O-],
,,,ACT:E:203,invalid,,,,,CC(=O)[O-],
,,4JFM,,,,,,,
,,,1KZ:A:201,valid,Kd,=,3.3,uM,COc1ccc(cc1OC)OCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c3ccc4c(c3)SC(=O)N4,
,,6TX9,,,,,,,
,,,NA:A:202,invalid,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,HYN:A:201,valid,,,,,C1C(=O)NC(=O)N1,
,,4DRM,,,,,,,
,,,0MC:A:201,valid,ic50,=,5.8,uM,CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O,
,,4DRK,,,,,,,
,,,I63:A:201,valid,ic50,=,8.36,uM,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O,
,,,I63:B:201,valid,ic50,=,8.36,uM,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O,
,,6TX6,,,,,,,
,,,NA:A:202,invalid,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NCA:A:204,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:A:205,valid,,,,,c1cc(cnc1)C(=O)N,
,,,CL:A:201,invalid,,,,,[Cl-],
,,5DIV,,,,,,,
,,,5BH:A:201,valid,Ki,=,0.14,uM,COc1cc(cc(c1OC)OC)[C@H](C2CCCCC2)C(=O)N3CCCC[C@H]3C(=O)NC4(CCCC4)C(=O)N,
,,4DRN,,,,,,,
,,,0MC:A:201,valid,ic50,=,5.8,uM,CC[C@@H]1CCCC[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O)O,
,,4TW7,,,,,,,
,,,37K:A:201,valid,Ki,=,26,nM,COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCOCC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@H](c5cc(c(c(c5)OC)OC)OC)[C@H]6CCCC=C6,
,Family. Representative Entry is ,1FKB,,,,,,,
,,,RAP:A:108,valid,Kd,=,0.2,nM,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,2DG9,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,RAP:A:501,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,1D7J,,,,,,,
,,,BUQ:A:311,valid,Kd,=,500,uM,CC(=O)CCO,
,,,BUQ:B:321,valid,Kd,=,500,uM,CC(=O)CCO,
,,,NH4:A:401,invalid,,,,,[NH4+],
,,,NH4:B:402,invalid,,,,,[NH4+],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BKF,,,,,,,
,,,FK5:A:108,valid,Ki,=,2.1,nM,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,2FKE,,,,,,,
,,,FK5:A:108,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,1QPF,,,,,,,
,,,858:A:108,valid,ic50,=,27,nM,CC[C@@H]1C=C(C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C,
,,,858:D:308,valid,ic50,=,27,nM,CC[C@@H]1C=C(C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)Oc5ccc6c(c5)ccn6CC)/C)O)C)OC)OC)C)/C,
,,,B7G:A:109,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,1FKJ,,,,,,,
,,,FK5:A:108,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,1J4H,,,,,,,
,,,SUB:A:201,valid,,,,,CCOC(=O)C(Cc1ccccc1)NC(=O)[C@@H]2CSCC[N@]2S(=O)(=O)c3ccc(cc3)C,
,,1FKF,,,,,,,
,,,FK5:A:108,valid,Kd,=,0.4,nM,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,2DG3,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,RAP:A:501,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,1FKI,,,,,,,
,,,SB1:A:109,valid,Ki,=,100,nM,CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C,
,,,SB1:B:108,valid,Ki,=,100,nM,CC1(COC(=O)CCCCCCCCCCCOC(=O)[C@@H]2CCCCN2C(=O)C1=O)C,
,,1FKL,,,,,,,
,,,RAP:A:108,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,1FKH,,,,,,,
,,,SBX:A:108,valid,Ki,=,7,nM,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)C3CCCCC3,
,,1A7X,,,,,,,
,,,FKA:B:201,valid,Kd,=,0.2,nM,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CCOC(=O)NCc4ccccc4)O)C)/C(=C/[C@@H]5CC[C@H]([C@@H](C5)OC)O)/C)O)C)OC)OC,
,,1D7I,,,,,,,
,,,DSS:A:301,valid,Kd,=,250,uM,CSC[S@@](=O)C,
,,,DSS:B:302,valid,Kd,=,250,uM,CSC[S@@](=O)C,
,,,NH4:A:401,invalid,,,,,[NH4+],
,,,NH4:B:402,invalid,,,,,[NH4+],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FKG,,,,,,,
,,,SB3:A:108,valid,Ki,=,10,nM,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCc2ccccc2)c3ccccc3,
,,1J4I,,,,,,,
,,,TST:A:201,valid,,,,,Cc1ccc(cc1)S(=O)(=O)N2CCSC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)O,
,,1BL4,,,,,,,
,,,AP1:A:108,valid,ic50,=,1.8,nM,CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O,
,,,AP1:B:109,valid,ic50,=,1.8,nM,CC[C@@H](c1cc(c(c(c1)OC)OC)OC)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc3ccc(c(c3)OC)OC)c4cccc(c4)OCC(=O)O,
,,1FKD,,,,,,,
,,,818:A:108,valid,,,,,CC[C@@H]1C=C([C@H]([C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)/C,
,,2DG4,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,RAP:A:501,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,1J4R,,,,,,,
,,,001:A:108,valid,Ki,=,0.019,uM,COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F,
,,,001:B:109,valid,Ki,=,0.019,uM,COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F,
,,,001:D:109,valid,Ki,=,0.019,uM,COc1cc(cc(c1OC)OC)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CCCc3ccccc3)CCCc4cccnc4)(F)F,
,,,GOL:A:109,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:108,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4DRJ,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RAP:A:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,Family. Representative Entry is ,3IHZ,,,,,,,
,,,FK5:A:501,valid,ic50,=,160,nM,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,4ITZ,,,,,,,
,,,SIN ALA LEU PRO PHE NIT:C:0,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)[O-])C)CC(C)C)CCC2)Cc2ccccc2)cc1,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J4O,,,,,,,
,,,D44:A:201,valid,,,,,CCc1ccccc1NC(=O)CSc2[nH]c3c(n2)cccn3,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2ITK,,,,,,,
,,,ACE PHE D11 YCP NAL GLN NH2:B:501,valid,Ki,=,20.4,nM,P(=O)(OC(C(NC(=O)C(N)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)N)Cc2cc3c(cc2)cccc3)CCCC1)C)([O-])[O-],
,,,PE4:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,2XPB,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4GE:A:1165,valid,ic50,=,2,uM,CN(Cc1ccccc1)C(=O)c2c(nc([nH]2)c3cccc(c3)Cl)C(=O)O,
,,3KAG,,,,,,,
,,,12P:A:165,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4D7:A:164,valid,ic50,=,6.6,uM,Cc1c(cco1)C(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O,
,,3KAI,,,,,,,
,,,12P:A:164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4FI:A:165,valid,ic50,=,3.9,uM,Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)O,
,,2Q5A,,,,,,,
,,,16P:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCC,
,,,ACE PHE TPO YCP NAL GLN NH2:B:501,valid,Ki,=,507,nM,P(=O)(OC(C(NC(=O)CN)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)N)Cc2cc3c(cc2)cccc3)CCCC1)C)([O-])[O-],
,,2XPA,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4G5:A:1165,valid,ic50,=,4.1,uM,CN(CC(=O)N)C(=O)c1c([nH]c(n1)c2ccccc2)C(=O)O,
,,3WH0,,,,,,,
,,,O4B:A:203,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,DTT:A:204,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XP3,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,B21:A:1165,valid,,,,,COc1ccccc1c2ccc(o2)C(=O)O,
,,3ODK,,,,,,,
,,,ODK:A:165,valid,ic50,=,720,uM,c1ccnc(c1)c2cc([nH]n2)C(=O)O,
,,,PE4:A:164,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,3TDB,,,,,,,
,,,3TB:A:1,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCC/C1=C[C@H](COP(=O)(O)O)NC(=O)[C@H](Cc2ccccc2)N,
,,,PE4:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,3KAD,,,,,,,
,,,12P:A:165,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4C0:A:164,valid,ic50,=,7.5,uM,c1ccc(cc1)CCC(=O)N[C@H](Cc2[nH]c3ccccc3n2)C(=O)O,
,,2XP4,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,G14:A:1165,valid,ic50,=,180,uM,c1ccc(cc1)c2[nH]cc(n2)C(=O)O,
,,3KAB,,,,,,,
,,,12P:A:164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4BL:A:166,valid,ic50,=,630,uM,Cc1ccc2cc([nH]c2c1)C(=O)O,
,,,SO4:A:165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3OOB,,,,,,,
,,,KDH:A:402,valid,Kd,=,21.6,uM,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O,
,,,KDH:A:403,valid,Kd,=,21.6,uM,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O,
,,,PE4:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:301,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:302,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XP5,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4FF:A:1165,valid,ic50,=,360,uM,Cc1c(nc([nH]1)c2ccccc2)C(=O)O,
,,2XP7,,,,,,,
,,,12P:A:1165,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4F8:A:1164,valid,Kd,=,1.7,uM,c1ccc(cc1)c2[nH]c(c(n2)C(=O)O)C(=O)O,
,,3TCZ,,,,,,,
,,,PE4:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,R2Z:A:1,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@@H]1CCC/C1=C/[C@H](COP(=O)(O)O)NC=O,
,,3KAH,,,,,,,
,,,12P:A:164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4DH:A:165,valid,ic50,=,0.26,uM,Cn1c(cc(n1)c2ccccc2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O,
,,2XP6,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4G2:A:1165,valid,ic50,=,20,uM,Cc1c(nc([nH]1)c2cccc(c2)Cl)C(=O)O,
,,2XP8,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4FY:A:1165,valid,ic50,=,15,uM,c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O,
,,3KAF,,,,,,,
,,,4D9:A:164,valid,ic50,=,0.83,uM,c1ccc2c(c1)cc(s2)C(=O)N[C@H](Cc3[nH]c4ccccc4n3)C(=O)O,
,,5UY9,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLN ALA SER TPO PRO ARG NIT:B:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)C)CO)C(=O)N1C(C(=O)NC(C(=O)Nc2ccc([N+](=O)[O-])cc2)CCCNC(=[NH2+])N)CCC1)C)([O-])[O-],
,,,PE4:A:300,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,3NTP,,,,,,,
,,,PE8:A:300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,RZD:A:164,valid,ic50,=,12,uM,CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2c[nH]c3c2cccc3)COP(=O)(O)O,
,,2XP9,,,,,,,
,,,12P:A:1164,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4G8:A:1165,valid,,,,,c1ccc(cc1)CN(CC(=O)O)C(=O)c2c([nH]c(n2)c3ccccc3)C(=O)O,
,,3KCE,,,,,,,
,,,12P:A:164,invalid,ic50,=,16,uM,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,4BY:A:165,valid,,,,,Cc1ccc2c(c1)cc([nH]2)C(=O)O,
,,3TC5,,,,,,,
,,,3T5:A:164,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C,
,,,P6G:A:165,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,1F8A,,,,,,,
,,,TYR SEP PRO THR SEP PRO SER:C:170,valid,Kd,=,10,uM,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])Cc2ccc(O)cc2)COP(=O)([O-])[O-])CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)[O-])CO)CCC1)([O-])[O-],
,Family. Representative Entry is ,4NY3,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,THR PRO ASP TYR PHE LEU:D:305,valid,Kd,=,49.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CC(C)C,
,,,THR PRO ASP TYR PHE LEU:C:305,valid,Kd,=,49.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CC(C)C,
,,2HV7,,,,,,,
,,,ADP:B:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6RCY,,,,,,,
,,,K0T:A:201,valid,Kd,=,1.6,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c3cccc4c3cccc4N(C)C,
,Family. Representative Entry is ,4DRI,,,,,,,
,,,RAP:A:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,4DRH,,,,,,,
,,,SO4:B:2204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RAP:D:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,,RAP:A:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,Family. Representative Entry is ,1LOP,,,,,,,
,,,SIN ALA PRO ALA NIT:B:0,valid,,,,,O=[N+]([O-])c1ccc(NC(=O)C(NC(=O)C2N(C(=O)C([NH2+]C(=O)CCC(=O)[O-])C)CCC2)C)cc1,
,Family. Representative Entry is ,4QT2,,,,,,,
,,,RAP:A:202,valid,ic50,=,0.48,uM,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,,IMD:A:201,invalid,,,,,c1c[nH+]c[nH]1,
,,2VN1,,,,,,,
,,,FK5:A:501,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,FK5:B:501,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,4QT3,,,,,,,
,,,DTV:A:201,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,RAP:A:202,valid,ic50,=,0.48,uM,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,Family. Representative Entry is ,2PV1,,,,,,,
,,,TRP GLU TYR ILE PRO ASN VAL:B:1,valid,Kd,=,0.073,uM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2c3c([nH]c2)cccc3)CCC(=O)[O-])Cc2ccc(O)cc2)C(CC)C)CCC1)CC(=O)N)C(C)C,
,Family. Representative Entry is ,6R8L,,,,,,,
,,,JUZ:A:301,valid,Kd,=,0.006,uM,CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@@H]5C[C@H](N4)[C@@H](CO5)O,
,,6R9X,,,,,,,
,,,JW2:A:301,valid,Kd,=,1.1,mM,c1ccnc(c1)CNC(=O)C(=O)NC2CCCC2,
,,4ZSD,,,,,,,
,,,7I6:A:301,valid,,,,,CSCC[C@@H](C(=O)N1CCC[C@@H]1c2ccccc2SC)NC(=O)NCc3ccc(cc3)N,
,,4XNC,,,,,,,
,,,EA4:A:301,valid,,,,,CCOC(=O)CNC(=O)NCc1ccc(cc1)N,
,,4ZSC,,,,,,,
,,,EA4:A:301,valid,,,,,CCOC(=O)CNC(=O)NCc1ccc(cc1)N,
,,6RA1,,,,,,,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JWB:A:301,valid,,,,,C1C[C@H]2C[C@@H]1[C@@H]3[C@H]2C(=O)N(C3=O)CC(=O)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,JVQ:A:302,valid,,,,,CCN1Cc2cc3c(cc2NCCC1=O)OCO3,
,,6R8W,,,,,,,
,,,O4B:A:301,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,JVH:A:303,valid,Kd,=,1.2,uM,c1cc2c(cc1CNC(=O)CN3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@H]4C3=O)[C@H]6C[C@@H](N2)[C@@H](CO6)O,
,,,P6G:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,6R8O,,,,,,,
,,,PG4:A:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JV2:A:304,valid,Kd,=,0.67,uM,CSc1ccccc1[C@H]2CCCN2C(=O)CNC(=O)NCc3ccc4c(c3)[C@H]5C[C@@H](N4)[C@@H](CO5)O,
,,6R9U,,,,,,,
,,,JVQ:A:301,valid,Kd,=,7.5,mM,CCN1Cc2cc3c(cc2NCCC1=O)OCO3,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:306,invalid,,,,,C(COCCOCCO)O,
,,6R9S,,,,,,,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JVN:A:302,valid,Kd,=,7.1,mM,c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O,
,,,JVN:A:301,valid,Kd,=,7.1,mM,c1cc2c(cc1F)[C@H]3C[C@@H](N2)[C@@H](CO3)O,
,,,1PE:A:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5EZ1,,,,,,,
,,,ICB:A:401,valid,,,,,c1ccc2c(c1)cc([nH]2)C(=O)O,
,,,ICB:B:401,valid,,,,,c1ccc2c(c1)cc([nH]2)C(=O)O,
,Family. Representative Entry is ,5GPG,,,,,,,
,,,RAP:A:301,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,Family. Representative Entry is ,5HWC,,,,,,,
,,,FK5:A:201,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,Family. Representative Entry is ,6OQA,,,,,,,
,,,60Z:F:201,valid,Kd,=,41.2,nM,CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C,
,,,60Z:E:201,valid,Kd,=,41.2,nM,CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C,
,,,60Z:A:201,valid,Kd,=,41.2,nM,CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C,
,,,60Z:B:201,valid,Kd,=,41.2,nM,CC[C@H](Cc1ccccc1)[C@@H]2/C=C/C/C=C/C[C@H]([C@@H]([C@H]([C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)C)O)C,
,,,PGE:G:2304,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:2306,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:2306,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:213,invalid,,,,,C(COCCOCCO)O,
,,,PEG:D:2305,invalid,,,,,C(COCCO)O,
,,,PEG:H:2302,invalid,,,,,C(COCCO)O,
,,,PEG:B:210,invalid,,,,,C(COCCO)O,
,,,PEG:B:211,invalid,,,,,C(COCCO)O,
,,,PEG:F:202,invalid,,,,,C(COCCO)O,
,,,PEG:B:209,invalid,,,,,C(COCCO)O,
,,,PEG:C:2302,invalid,,,,,C(COCCO)O,
,,,PEG:G:2302,invalid,,,,,C(COCCO)O,
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,PEG:D:2304,invalid,,,,,C(COCCO)O,
,,,PG4:G:2303,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:2303,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:2305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:2304,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:G:2301,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:2301,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:E:202,invalid,,,,,C(CO)O,
,,,EDO:E:203,invalid,,,,,C(CO)O,
,,,EDO:D:2302,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:D:2303,invalid,,,,,C(CO)O,
,,,PE8:B:212,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE8:A:206,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,MG:D:2301,Part of Protein,,,,,[Mg+2],
,,,MLA:H:2301,invalid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,5YBA,,,,,,,
,,,GLU TYR GLY PRO LYS TRP ASN LYS:B:2,valid,Kd,=,16.81,uM,O=C(NC(C(=O)NCC(=O)N1C(C(=O)NC(C=O)CCCC[NH3+])CCC1)Cc1ccc(O)cc1)C([NH3+])CCC(=O)[O-],
,,,GLU TYR GLY PRO LYS TRP ASN LYS:D:1,valid,Kd,=,16.81,uM,O=C(NC(C(=O)NCC(=O)N1C(C(=O)NC(C=O)CCCC[NH3+])CCC1)Cc1ccc(O)cc1)C([NH3+])CCC(=O)[O-],
,Family. Representative Entry is ,1VDN,,,,,,,
,,,ACE ALA ALA PRO ALA MCM:B:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)Nc2cc3OC(O)=CC(=C)c3cc2)C)CCC1)C)C(NC=O)C,
,Family. Representative Entry is ,5HUA,,,,,,,
,,,FK5:A:201,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,1YAT,,,,,,,
,,,FK5:A:108,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,Family. Representative Entry is ,4TYO,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,39X:A:201,valid,Ki,=,0.08,uM,c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O,
,,,39X:B:201,valid,Ki,=,0.08,uM,c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3[nH]c4cc(ccc4n3)F)C(=O)O,
,,3I6C,,,,,,,
,,,GIA:A:301,valid,Ki,=,12,uM,c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O,
,,,GIA:A:303,valid,Ki,=,12,uM,c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O,
,,,GIA:B:302,valid,Ki,=,12,uM,c1ccc2cc(ccc2c1)C(=O)N[C@H](Cc3cccc(c3)F)C(=O)O,
,,3IKG,,,,,,,
,,,J8Z:A:1,valid,,,,,Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2,
,,,J8Z:B:2,valid,,,,,Cc1cccc(c1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2,
,,3KAC,,,,,,,
,,,4BX:A:1,valid,ic50,=,740,uM,c1ccc2c(c1)[nH]c(n2)CCC(=O)O,
,,,4BX:B:1,valid,ic50,=,740,uM,c1ccc2c(c1)[nH]c(n2)CCC(=O)O,
,,3JYJ,,,,,,,
,,,JZI:A:301,valid,Ki,=,1.8,uM,c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2,
,,,JZI:B:302,valid,Ki,=,1.8,uM,c1ccc(cc1)/C=C/C[C@H](C(=O)O)NC(=O)c2ccc3ccccc3c2,
,,3IKD,,,,,,,
,,,J9Z:A:501,valid,,,,,c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2,
,,,J9Z:B:502,valid,,,,,c1ccc(cc1)C[C@H](COP(=O)([O-])[O-])NC(=O)c2cc3ccccc3s2,
,Family. Representative Entry is ,4LAY,,,,,,,
,,,I63:A:301,valid,,,,,CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc2ccc(c(c2)OC)OC)c3cccc(c3)OCC(=O)O,
,Family. Representative Entry is ,6J2M,,,,,,,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,FK5:A:501,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,Family. Representative Entry is ,5MGX,,,,,,,
,,,ASP THR GLU MET GLU GLU VAL ASP:C:704,valid,,,,,S(CCC(NC(=O)CCCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,ASP THR GLU MET GLU GLU VAL ASP:A:702,valid,,,,,S(CCC(NC(=O)CCCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,ASP THR GLU MET GLU GLU VAL ASP:D:704,valid,,,,,S(CCC(NC(=O)CCCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,ASP THR GLU MET GLU GLU VAL ASP:B:702,valid,,,,,S(CCC(NC(=O)CCCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,Family. Representative Entry is ,1E8K,,,,,,,
,,,ALA PRO:A:1001,valid,,,,,O=C(C(N)C)N1C(C(=O)[O-])CCC1,
,Family. Representative Entry is ,4GWT,,,,,,,
,,,LMR:A:101,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1Q6I,,,,,,,
,,,FK5:A:301,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,FK5:B:401,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,Family. Representative Entry is ,3FAP,,,,,,,
,,,ARD:A:402,valid,,,,,Cc1ccc(s1)[C@@H]/2C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O[C@@H](CC(=O)[C@@H](C=C([C@H]([C@H](C(=O)[C@@H](C[C@@H](C=CC=CC=C2/C)C)C)OC)O)/C)C)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)O)C,
,,6M4U,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:B:2207,invalid,,,,,[Cl-],
,,,CL:E:204,invalid,,,,,[Cl-],
,,,CL:F:2207,invalid,,,,,[Cl-],
,,,CL:B:2206,invalid,,,,,[Cl-],
,,,CL:E:203,invalid,,,,,[Cl-],
,,,ZN:A:204,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2203,Part of Protein,,,,,[Zn+2],
,,,ZN:E:202,invalid,,,,,[Zn+2],
,,,ZN:F:2205,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2206,invalid,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2205,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2204,Part of Protein,,,,,[Zn+2],
,,,RAP:A:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,,RAP:E:201,valid,,,,,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,,GOL:F:2203,invalid,,,,,C(C(CO)O)O,
,,1NSG,,,,,,,
,,,RAD:A:108,valid,,,,,CCO[C@H]1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1C)C)C)OC)O)C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C,
,,2FAP,,,,,,,
,,,RAD:A:108,valid,,,,,CCO[C@H]1C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C1C)C)C)OC)O)C)C)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C,
1.8.98.-,,,,,,,,,
,Family. Representative Entry is ,4K38,,,,,,,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,CL:A:513,invalid,,,,,[Cl-],
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4K37,,,,,,,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,CL:A:512,invalid,,,,,[Cl-],
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4K36,,,,,,,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,SAM:B:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4K39,,,,,,,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
3.2.1.130,,,,,,,,,
,Family. Representative Entry is ,5LYR,,,,,,,
,,,MAN MNM:A:403,valid,Kd,=,0.013,uM,O(C1C(O)C(CO)C[NH2+]C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,5M03,,,,,,,
,,,MAN MNM:A:402,valid,,,,,O(C1C(O)C(CO)C[NH2+]C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,6HMH,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,GDQ GLC:A:403,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)CC2[NH2+]C12,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,5MC8,,,,,,,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,DGO MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)OC=C1,
,,6HMG,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,GDQ GLC:A:403,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)CC2[NH2+]C12,
,,6FAR,,,,,,,
,,,MAN MVL:A:501,valid,,,,,,
,,4AD5,,,,,,,
,,,GLC DMJ:A:500,valid,,,,,O(C1C(O)C(CO)[NH2+]CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,4V27,,,,,,,
,,,MAN IFM:A:500,valid,Kd,=,217,nM,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:600,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,5M5D,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,DGO MAN:B:1,valid,Kd,=,111,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)OC=C1,
,,5M3W,,,,,,,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,7D1 MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)OCC1,
,,4AD2,,,,,,,
,,,GLC IFM:A:500,valid,Kd,=,625,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)C[NH2+]C1,
,,,GLC IFM:B:500,valid,Kd,=,625,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)C[NH2+]C1,
,,,GLC IFM:C:500,valid,Kd,=,625,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)C[NH2+]C1,
,,,GLC IFM:D:500,valid,Kd,=,625,nM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)C[NH2+]C1,
,,4AD3,,,,,,,
,,,GLC DMJ:A:500,valid,Kd,=,24,uM,O(C1C(O)C(CO)[NH2+]CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC DMJ:B:500,valid,Kd,=,24,uM,O(C1C(O)C(CO)[NH2+]CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC DMJ:C:500,valid,Kd,=,24,uM,O(C1C(O)C(CO)[NH2+]CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC DMJ:D:500,valid,Kd,=,24,uM,O(C1C(O)C(CO)[NH2+]CC1O)C1C(O)C(O)C(O)C(CO)O1,
,,5M17,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,7D1 MAN:B:1,valid,Kd,=,221,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)OCC1,
,,6FAM,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,MAN G63:A:502,valid,,,,,O(C1C(O)C(CO)[NH2+]CC1[NH3+])C1C(O)C(O)C(O)C(CO)O1,
,,4V28,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,MAN 4MU MAN:B:1,valid,,,,,,
,,4AD4,,,,,,,
,,,GLC IFM:A:500,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)C[NH2+]C1,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,5MEL,,,,,,,
,,,GLC 7LQ:A:403,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(CO)CC=C1,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
1.5.1.6,,,,,,,,,
,Family. Representative Entry is ,4TTS,,,,,,,
,,,6DD:A:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O,
,,4TT8,,,,,,,
,,,BTB:A:402,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,6DD:A:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(c2)c(nc(n3)N)O)C=O,
,,4QPD,,,,,,,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,THG:A:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:403,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,Family. Representative Entry is ,2CFI,,,,,,,
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZZZ:A:1311,valid,,,,,C1[C@@H](NC2=C(N1)N=C(NC2=O)N)C=O,
,Family. Representative Entry is ,3RHJ,,,,,,,
,,,GOL:A:108,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:108,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:109,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:107,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:101,valid,Kd,=,0.0073,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:101,valid,Kd,=,0.0073,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:101,valid,Kd,=,0.0073,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:101,valid,Kd,=,0.0073,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GNZ,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1008,invalid,,,,,C(C(CO)O)O,
,,3RHR,,,,,,,
,,,GOL:A:29,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:30,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:31,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:32,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:903,valid,Kd,=,5.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:903,valid,Kd,=,5.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:903,valid,Kd,=,5.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:903,valid,Kd,=,5.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:15,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:18,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:21,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:22,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:24,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:14,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:19,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:25,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:13,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:17,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:26,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:28,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:12,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:16,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:20,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:23,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:27,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GO2,,,,,,,
,,,SO4:A:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAP:B:1010,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,,TAP:D:1008,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,,TAP:A:3009,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,,TAP:C:1009,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1008,invalid,,,,,C(C(CO)O)O,
,,2O2R,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3004,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RHL,,,,,,,
,,,GOL:A:2000,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2003,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3027,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RHO,,,,,,,
,,,GOL:A:3025,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3026,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3029,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3028,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:903,valid,Kd,=,0.26,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:903,valid,Kd,=,0.26,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:903,valid,Kd,=,0.26,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:903,valid,Kd,=,0.26,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3027,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RHQ,,,,,,,
,,,GOL:A:29,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:30,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:31,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:32,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:903,valid,Kd,=,9.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:903,valid,Kd,=,9.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:903,valid,Kd,=,9.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:903,valid,Kd,=,9.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:15,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:18,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:21,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:24,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:14,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:19,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:22,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:25,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:13,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:17,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:23,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:26,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:28,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:12,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:16,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:20,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:27,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2O2Q,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,,MG:B:2002,invalid,,,,,[Mg+2],
,,,MG:C:2003,invalid,,,,,[Mg+2],
,,,MG:D:2004,invalid,,,,,[Mg+2],
,,,NAP:A:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3027,invalid,,,,,[O-]S(=O)(=O)[O-],
1.4.3.5,,,,,,,,,
,Family. Representative Entry is ,3HY8,,,,,,,
,,,FMN:A:390,valid,Kd,=,672,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:350,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:360,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:370,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:380,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NRG,,,,,,,
,,,BME:A:360,invalid,,,,,C(CS)O,
,,,FMN:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:320,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1G79,,,,,,,
,,,BME:A:300,invalid,,,,,C(CS)O,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:260,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:270,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1G76,,,,,,,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:260,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1G78,,,,,,,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:260,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:270,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1G77,,,,,,,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:260,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JNW,,,,,,,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PLP:A:260,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:270,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1DNL,,,,,,,
,,,FMN:A:250,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:275,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4HMX,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,WUB:A:302,valid,,,,,c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O,
,,4HMW,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.5.1.31,,,,,,,,,
,Family. Representative Entry is ,3WYJ,,,,,,,
,,,H78:A:900,valid,ic50,=,0.36,uM,c1cc(cc(c1)c2cccc(c2)NS(=O)(=O)c3cccc(c3)S(=O)(=O)Nc4cccc(c4)c5cccc(c5)CC(O)(P(=O)(O)O)P(=O)(O)O)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,2E9D,,,,,,,
,,,B76:A:701,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B76:A:702,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B76:B:703,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)OCC(O)(P(=O)(O)O)P(=O)(O)O,
,,1X09,,,,,,,
,,,IPE:A:901,valid,Kd,=,520,uM,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:A:902,valid,Kd,=,520,uM,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,3TH8,,,,,,,
,,,TH9:B:289,valid,,,,,CCCCCCOc1cccc(c1)CCCNC(=O)/C=C(/C(=O)O)O,
,,5CQJ,,,,,,,
,,,53Q:A:301,valid,ic50,=,15.4,uM,CCN(CC)CCOc1ccc(cc1)/C(=C(c2ccccc2)/Cl)/c3ccccc3,
,,5ZHE,,,,,,,
,,,HJX:B:301,valid,,,,,CCCCCCCCCCCCCCOc1cccc(c1C(=O)O)O,
,,1V7U,,,,,,,
,,,FPP:A:501,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPP:A:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPP:B:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,2E9C,,,,,,,
,,,B75:A:701,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B75:A:702,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B75:A:704,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B75:B:703,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)Nc3cccc(c3)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,2E9A,,,,,,,
,,,B28:A:701,valid,,,,,c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B28:A:702,valid,,,,,c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B28:B:703,valid,,,,,c1ccc(cc1)c2ccc(cc2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,1X06,,,,,,,
,,,FPS:A:901,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:902,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1X07,,,,,,,
,,,IPE:A:901,valid,Kd,=,520,uM,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2E98,,,,,,,
,,,B29:A:501,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:A:502,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:A:503,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:A:504,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:B:505,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:B:506,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:B:507,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,1X08,,,,,,,
,,,FPS:A:901,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:902,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,IPE:A:903,valid,Kd,=,520,uM,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,2E99,,,,,,,
,,,B08:A:505,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B08:A:506,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B08:A:507,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B08:B:508,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B08:B:509,valid,,,,,c1ccc(cc1)c2cccc(c2)c3cccc(c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,4ONC,,,,,,,
,,,40B:A:500,valid,Kd,=,410,nM,c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O,
,,,40B:B:500,valid,Kd,=,410,nM,c1ccc(cc1)c2cccc(c2)c3cccc(c3)C(O)(P(=O)(O)O)P(=O)(O)O,
,,2VG2,,,,,,,
,,,CL:A:1303,invalid,,,,,[Cl-],
,,,DPO:A:1297,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,DPO:B:1296,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,DPO:C:1297,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,GOL:A:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1298,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1301,invalid,,,,,C(C(CO)O)O,
,,,IPE:A:1298,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1297,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,PO4:A:1304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1298,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1297,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1298,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6IME,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,DTT:B:303,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GST:A:301,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:B:306,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,ISY:B:307,valid,,,,,CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,CO3:B:302,invalid,,,,,C(=O)([O-])[O-],
,,2VG3,,,,,,,
,,,CL:B:1301,invalid,,,,,[Cl-],
,,,CL:B:1302,invalid,,,,,[Cl-],
,,,GOL:C:1300,invalid,,,,,C(C(CO)O)O,
,,,GPP:A:1298,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:B:1298,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:C:1298,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:D:1298,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:1297,Part of Protein,,,,,[Mg+2],
,,,MG:B:1297,Part of Protein,,,,,[Mg+2],
,,,MG:C:1297,Part of Protein,,,,,[Mg+2],
,,,MG:D:1297,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1299,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1299,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:C:1299,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6SZG,,,,,,,
,,,M2E:A:302,valid,,,,,c1cc(ccc1C(=O)N2CCC[C@@H](C2)O)Cl,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,M2K:A:301,valid,,,,,C1CCc2c(c([nH]n2)C(=O)O)C1,
,,6ACS,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:503,invalid,,,,,CC(C)O,
,,,IPA:B:301,invalid,,,,,CC(C)O,
,,6SZH,,,,,,,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,M2H:B:302,valid,,,,,Cc1cc([nH]c1C#N)C,
2.1.1.104,,,,,,,,,
,Family. Representative Entry is ,3C3Y,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:B:238,Part of Protein,,,,,[Ca+2],
,,,SAH:A:464,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:465,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.3.99.20,,,,,,,,,
,Family. Representative Entry is ,1RM6,,,,,,,
,,,CL:A:770,invalid,,,,,[Cl-],
,,,CL:D:770,invalid,,,,,[Cl-],
,,,EPE:A:930,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:932,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:933,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:931,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:C:907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,K:D:771,Part of Protein,,,,,[K+],
,,,NA:A:771,Part of Protein,,,,,[Na+],
,,,NA:D:772,Part of Protein,,,,,[Na+],
,,,PCD:A:920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,PCD:D:920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,SF4:B:910,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:910,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:D:773,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SB3,,,,,,,
,,,EPE:A:1111,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:1900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:1901,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:C:1907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:1908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:1917,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:F:1918,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PCD:A:1920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,PCD:D:1921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)O,
,,,SF4:B:1910,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1911,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:D:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
1.2.1.19,,,,,,,,,
,Family. Representative Entry is ,3IWK,,,,,,,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2003,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2007,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2009,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:2011,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:2010,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:2012,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:2013,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:2014,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:2016,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:2018,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:2019,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:2000,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:2015,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:2017,invalid,,,,,C(C(CO)O)O,
,,,MRD:D:2004,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:D:504,Part of Protein,,,,,[Na+],
,,,NA:E:504,Part of Protein,,,,,[Na+],
,,,NA:F:504,Part of Protein,,,,,[Na+],
,,,NA:G:504,Part of Protein,,,,,[Na+],
,,,NA:H:504,Part of Protein,,,,,[Na+],
,,,NA:I:504,Part of Protein,,,,,[Na+],
,,,NA:J:504,Part of Protein,,,,,[Na+],
,,,NA:K:504,Part of Protein,,,,,[Na+],
,,,NA:L:504,Part of Protein,,,,,[Na+],
,,,NAD:A:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:I:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:J:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:K:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:L:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4I8P,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:603,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3IWJ,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NAD:A:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
6.3.2.7,,,,,,,,,
,Family. Representative Entry is ,4C12,,,,,,,
,,,MG:A:1500,Part of Protein,,,,,[Mg+2],
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1499,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,UML:A:1498,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,4C13,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,UML:A:598,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
3.2.1.93,,,,,,,,,
,Family. Representative Entry is ,5BRP,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,PNG:B:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PNG:C:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PNG:A:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
4.2.1.55,,,,,,,,,
,Family. Representative Entry is ,5JBX,,,,,,,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MLI:A:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:304,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
2.4.1.131,,,,,,,,,
,Family. Representative Entry is ,1S4P,,,,,,,
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CL:A:911,invalid,,,,,[Cl-],
,,,CL:B:907,invalid,,,,,[Cl-],
,,,CL:B:908,invalid,,,,,[Cl-],
,,,EPE:A:903,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:913,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GDP:A:904,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:905,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MMA:A:901,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:902,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:909,Part of Protein,,,,,[Mn+2],
,,,MN:B:906,Part of Protein,,,,,[Mn+2],
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,1S4O,,,,,,,
,,,CL:A:708,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:B:704,invalid,,,,,[Cl-],
,,,EPE:A:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:902,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GDP:A:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,NAG NDG:D:1,Part of Protein,,,,,,
,,,NAG NDG BMA MAN MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
2.4.1.14,,,,,,,,,
,Family. Representative Entry is ,2R68,,,,,,,
,,,GLC F6P:B:1,valid,,,,,,
4.2.1.47,,,,,,,,,
,Family. Representative Entry is ,1RPN,,,,,,,
,,,GDP:A:1601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:1604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NDP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1N7G,,,,,,,
,,,GDR:A:801,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GDR:A:802,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GDR:A:803,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1N7H,,,,,,,
,,,GDP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NDP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5IN4,,,,,,,
,,,GDP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,6CK:A:1003,valid,Kd,=,11,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N,
,,,6CK:B:401,valid,Kd,=,11,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N,
,,,6CK:D:401,valid,Kd,=,11,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N,
,,,6CK:C:1003,valid,Kd,=,11,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C(F)(F)F)O)O)O)O)O)N=C(NC2=O)N,
,,,NAP:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1T2A,,,,,,,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1102,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:1302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NDP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5IN5,,,,,,,
,,,NAP:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GDP:B:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GFB:C:1003,valid,Kd,=,35,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GFB:A:1003,valid,Kd,=,35,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GFB:B:401,valid,Kd,=,35,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GFB:D:401,valid,Kd,=,35,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
3.4.19.5,,,,,,,,,
,Family. Representative Entry is ,4PVR,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,ASP:A:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,4OSY,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,GLY:A:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:402,valid,,,,,C(C(=O)O)N,
,,,GLY:A:402,valid,,,,,C(C(=O)O)N,
,,4PVS,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,ASP:A:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,4OSX,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,GLY:A:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:402,valid,,,,,C(C(=O)O)N,
,,,GLY:A:402,valid,,,,,C(C(=O)O)N,
,,,GLY:A:404,valid,,,,,C(C(=O)O)N,
,,4O0F,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:402,invalid,,,,,[Na+],
,,,GLY:A:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:404,valid,,,,,C(C(=O)O)N,
,,,GLY:A:404,valid,,,,,C(C(=O)O)N,
,,4O0D,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,GLY:B:403,valid,,,,,C(C(=O)O)N,
,,,GLY:B:402,valid,,,,,C(C(=O)O)N,
,,,GLY:B:404,valid,,,,,C(C(=O)O)N,
,,,GLY:A:402,valid,,,,,C(C(=O)O)N,
,,4PVP,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
6.2.1.1,,,,,,,,,
,Family. Representative Entry is ,1PG4,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,COA:A:990,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:991,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,EDO:B:1800,invalid,,,,,C(CO)O,
,,,EDO:B:1804,invalid,,,,,C(CO)O,
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2P2J,,,,,,,
,,,COA:A:990,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:991,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2P20,,,,,,,
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2P2B,,,,,,,
,,,COA:A:990,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:991,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2P2M,,,,,,,
,,,PRX:A:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2P2Q,,,,,,,
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1PG3,,,,,,,
,,,COA:A:990,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:991,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:B:800,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,PRX:A:999,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PRX:B:998,valid,,,,,CCCO[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1RY2,,,,,,,
,,,AMP:A:720,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
5.-.-.-,,,,,,,,,
,Family. Representative Entry is ,3HPF,,,,,,,
,,,GAE:A:411,valid,,,,,[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O,
,,,GAE:B:411,valid,,,,,[C@H]([C@H]([C@@H](C(=O)O)O)O)([C@H](C(=O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,3ES8,,,,,,,
,,,LMR:A:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:C:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:D:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:E:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:F:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:G:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:H:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MG:C:393,Part of Protein,,,,,[Mg+2],
,,,MG:D:393,Part of Protein,,,,,[Mg+2],
,,,MG:E:393,Part of Protein,,,,,[Mg+2],
,,,MG:F:393,Part of Protein,,,,,[Mg+2],
,,,MG:G:393,Part of Protein,,,,,[Mg+2],
,,,MG:H:393,Part of Protein,,,,,[Mg+2],
,,3ES7,,,,,,,
,,,LMR:A:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:392,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1PBK,,,,,,,
,,,RAP:A:225,valid,Ki,=,0.9,nM,C[C@@H]1CC[C@H]2C[C@@H](C(=CC=CC=C[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)C)OC,
,,5D75,,,,,,,
,,,FK5:A:301,valid,Ki,=,200,nM,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,JEF:A:302,invalid,,,,,C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N,
,,,JEF:A:303,invalid,,,,,C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N,
,Family. Representative Entry is ,3MPB,,,,,,,
,,,ACT:A:228,invalid,,,,,CC(=O)[O-],
,,,ACT:B:229,invalid,,,,,CC(=O)[O-],
,,,FRU:A:229,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:228,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,GOL:A:230,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5OO5,,,,,,,
,,,UUA:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)O)O)O,
,,5OO8,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,URI:A:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,5OOA,,,,,,,
,,,URI:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,5OO9,,,,,,,
,,,URI:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,5OO4,,,,,,,
,,,URI:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,2FWP,,,,,,,
,,,CIT:B:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ICR:A:1001,valid,Kd,=,0.78,uM,[H]/N=C1/[C@@H](N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O,
,,2FW6,,,,,,,
,,,CIT:B:1002,valid,Kd,=,1.2,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2FWI,,,,,,,
,,,AIR:A:1001,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,2FWJ,,,,,,,
,,,AIR:A:1001,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1TKK,,,,,,,
,,,ALA GLU:A:2470,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:B:2472,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:C:2474,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:D:2476,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:E:2478,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:F:2480,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:G:2482,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,ALA GLU:H:2484,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,MG:A:1601,Part of Protein,,,,,[Mg+2],
,,,MG:B:1602,Part of Protein,,,,,[Mg+2],
,,,MG:C:1603,Part of Protein,,,,,[Mg+2],
,,,MG:D:1604,Part of Protein,,,,,[Mg+2],
,,,MG:E:1605,Part of Protein,,,,,[Mg+2],
,,,MG:F:1606,Part of Protein,,,,,[Mg+2],
,,,MG:G:1607,Part of Protein,,,,,[Mg+2],
,,,MG:H:1608,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6ZLK,,,,,,,
,,,UGA:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:D:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:C:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UGB:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:D:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,6ZLA,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6ZLJ,,,,,,,
,,,UGF:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O,
,,,UGF:B:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6ZL6,,,,,,,
,,,NAD:B:902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6ZLD,,,,,,,
,,,UGA:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGA:B:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6ZLL,,,,,,,
,,,UGB:D:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:C:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,UGB:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4IZC,,,,,,,
,,,1GZ:B:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O,
,,,1GZ:A:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O,
,,4IZD,,,,,,,
,,,1HE:B:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O,
,,,1HE:A:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O,
,Family. Representative Entry is ,4DOO,,,,,,,
,,,DAO:A:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:302,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:302,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,K:A:303,Part of Protein,,,,,[K+],
,,,K:B:303,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,3WW2,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,SF9:B:403,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O,
,,,SF6:A:402,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,LPK:B:402,valid,,,,,C([C@@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,3WW4,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,WOO:A:403,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,WOO:B:403,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,3BU:B:402,valid,,,,,C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,,3BU:A:402,valid,,,,,C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)O,
,,3WW1,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,0MK:B:403,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:A:402,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:A:403,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,ROR:B:402,valid,,,,,C([C@@H]([C@@H]([C@@H](C=O)O)O)O)O,
,Family. Representative Entry is ,7BYW,,,,,,,
,,,1PG:B:201,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:201,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,FUC:A:202,valid,Kd,=,8.9,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:202,valid,Kd,=,8.9,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3KOX,,,,,,,
,,,5AD:A:1500,invalid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:1500,invalid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:C:1500,invalid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:D:1500,invalid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:1801,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:1801,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:1801,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:D:1801,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,Z98:A:767,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NCC[C@@H](C(=O)O)N)O,
,,,Z98:B:767,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NCC[C@@H](C(=O)O)N)O,
,,,Z98:C:767,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NCC[C@@H](C(=O)O)N)O,
,,,Z98:D:767,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NCC[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2IXH,,,,,,,
,,,TRH:A:1185,valid,Ka,=,11600,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:1185,valid,Ka,=,11600,M^-1,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,2IXI,,,,,,,
,,,SRT:A:1183,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TYD:A:1182,valid,Ka,=,1320,M^-1,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:1182,valid,Ka,=,1320,M^-1,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4ZU4,,,,,,,
,,,4TG:B:401,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O,
,,,4TG:C:401,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O,
,,,4TG:A:401,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O,
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:F:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:E:401,invalid,,,,,[Cl-],
,,,EDO:E:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,PO4:E:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1X92,,,,,,,
,,,M7P:A:302,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,,,M7P:B:301,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1OI6,,,,,,,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,TMP:A:1204,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1203,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,3HKA,,,,,,,
,,,CL:A:431,invalid,,,,,[Cl-],
,,,CO3:A:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:430,invalid,,,,,C(=O)([O-])[O-],
,,,FIX:A:428,valid,,,,,C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O,
,,,FIX:B:428,valid,,,,,C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O,
,,,FIX:C:428,valid,,,,,C(=O)C(=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O,
,,,ZN:A:430,Part of Protein,,,,,[Zn+2],
,,,ZN:B:431,Part of Protein,,,,,[Zn+2],
,,,ZN:C:429,Part of Protein,,,,,[Zn+2],
,,,ZN:C:430,Part of Protein,,,,,[Zn+2],
,,3HK9,,,,,,,
,,,CL:A:432,invalid,,,,,[Cl-],
,,,CL:F:431,invalid,,,,,[Cl-],
,,,CL:H:431,invalid,,,,,[Cl-],
,,,CL:K:431,invalid,,,,,[Cl-],
,,,CO3:A:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:430,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:430,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:429,invalid,,,,,C(=O)([O-])[O-],
,,,REL:A:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:B:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:C:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:D:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:E:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:F:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:G:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:H:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:I:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:J:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:K:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,REL:L:428,valid,,,,,C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,,ZN:B:429,Part of Protein,,,,,[Zn+2],
,,,ZN:C:430,Part of Protein,,,,,[Zn+2],
,,,ZN:D:431,Part of Protein,,,,,[Zn+2],
,,,ZN:E:429,Part of Protein,,,,,[Zn+2],
,,,ZN:F:430,Part of Protein,,,,,[Zn+2],
,,,ZN:G:430,Part of Protein,,,,,[Zn+2],
,,,ZN:H:430,Part of Protein,,,,,[Zn+2],
,,,ZN:I:430,Part of Protein,,,,,[Zn+2],
,,,ZN:J:430,Part of Protein,,,,,[Zn+2],
,,,ZN:K:430,Part of Protein,,,,,[Zn+2],
,,,ZN:L:430,Part of Protein,,,,,[Zn+2],
,,3HK8,,,,,,,
,,,CL:A:432,invalid,,,,,[Cl-],
,,,CL:B:432,invalid,,,,,[Cl-],
,,,CO3:A:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:429,invalid,,,,,C(=O)([O-])[O-],
,,,HDL:A:428,valid,,,,,[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O,
,,,HDL:B:428,valid,,,,,[C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O,
,,,ZN:A:430,Part of Protein,,,,,[Zn+2],
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,,ZN:B:430,Part of Protein,,,,,[Zn+2],
,,,ZN:B:431,Part of Protein,,,,,[Zn+2],
,,3HK7,,,,,,,
,,,CL:B:430,invalid,,,,,[Cl-],
,,,CL:E:432,invalid,,,,,[Cl-],
,,,CL:G:431,invalid,,,,,[Cl-],
,,,CL:J:431,invalid,,,,,[Cl-],
,,,CO3:A:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:430,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:430,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:430,invalid,,,,,C(=O)([O-])[O-],
,,,NA:A:432,invalid,,,,,[Na+],
,,,NA:D:431,invalid,,,,,[Na+],
,,,NA:H:431,invalid,,,,,[Na+],
,,,NA:L:430,invalid,,,,,[Na+],
,,,RAT:A:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:B:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:C:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:D:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:E:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:F:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:G:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:H:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:I:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:J:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:K:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:L:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,,ZN:B:429,Part of Protein,,,,,[Zn+2],
,,,ZN:C:430,Part of Protein,,,,,[Zn+2],
,,,ZN:D:430,Part of Protein,,,,,[Zn+2],
,,,ZN:E:431,Part of Protein,,,,,[Zn+2],
,,,ZN:F:429,Part of Protein,,,,,[Zn+2],
,,,ZN:G:430,Part of Protein,,,,,[Zn+2],
,,,ZN:H:430,Part of Protein,,,,,[Zn+2],
,,,ZN:I:430,Part of Protein,,,,,[Zn+2],
,,,ZN:J:430,Part of Protein,,,,,[Zn+2],
,,,ZN:K:431,Part of Protein,,,,,[Zn+2],
,,,ZN:L:429,Part of Protein,,,,,[Zn+2],
,,3HK5,,,,,,,
,,,CL:A:432,invalid,,,,,[Cl-],
,,,CL:B:432,invalid,,,,,[Cl-],
,,,CO3:A:429,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:429,invalid,,,,,C(=O)([O-])[O-],
,,,RAT:A:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,RAT:B:428,valid,,,,,C([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O,
,,,ZN:A:430,Part of Protein,,,,,[Zn+2],
,,,ZN:A:431,Part of Protein,,,,,[Zn+2],
,,,ZN:B:430,Part of Protein,,,,,[Zn+2],
,,,ZN:B:431,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5YX4,,,,,,,
,,,HCC:A:301,valid,,,,,c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,
,Family. Representative Entry is ,6Y8Y,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,NA:A:612,Part of Protein,,,,,[Na+],
,,,NA:A:615,Part of Protein,,,,,[Na+],
,,,NA:A:614,Part of Protein,,,,,[Na+],
,,,NA:A:611,Part of Protein,,,,,[Na+],
,,,NA:A:613,Part of Protein,,,,,[Na+],
,,,G1P:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,3DER,,,,,,,
,,,ALA LYS:A:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCC[NH3+],
,,,ALA LYS:B:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCC[NH3+],
,,,ALA LYS:C:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCC[NH3+],
,,,ALA LYS:D:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCC[NH3+],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,3DES,,,,,,,
,,,ALA PHE:A:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,,ALA PHE:B:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,,ALA PHE:C:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,,ALA PHE:D:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,3DEQ,,,,,,,
,,,ALA LEU:A:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CC(C)C,
,,,ALA LEU:B:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CC(C)C,
,,,ALA LEU:C:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CC(C)C,
,,,ALA LEU:D:411,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CC(C)C,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2Z77,,,,,,,
,,,ACT:B:300,invalid,,,,,CC(=O)[O-],
,,,ACT:C:400,invalid,,,,,CC(=O)[O-],
,,,HE7:A:200,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O,
,,,HE7:B:200,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O,
,,,HE7:C:200,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)O,
,,,NCA:D:200,valid,,,,,c1cc(cnc1)C(=O)N,
,,2A15,,,,,,,
,,,NCA:A:1001,valid,,,,,c1cc(cnc1)C(=O)N,
,Family. Representative Entry is ,3VNM,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:303,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,SDD:A:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O,
,,,SDD:B:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O,
,,,SDD:C:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O,
,,,SDD:D:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O,
,,3VNJ,,,,,,,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,PSJ:A:301,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:B:301,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:C:301,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:D:301,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,3VNK,,,,,,,
,,,FUD:A:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:B:1301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:C:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,FUD:D:301,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:1302,Part of Protein,,,,,[Mn+2],
,,,MN:B:1303,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:303,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:303,Part of Protein,,,,,[Mn+2],
,,3VNL,,,,,,,
,,,MN:A:7102,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,TAG:A:7101,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:B:301,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:C:301,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,,,TAG:D:301,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O,
,Family. Representative Entry is ,2PW0,,,,,,,
,,,EDO:A:2046,invalid,,,,,C(CO)O,
,,,EDO:A:2047,invalid,,,,,C(CO)O,
,,,EDO:A:2048,invalid,,,,,C(CO)O,
,,,EDO:B:2045,invalid,,,,,C(CO)O,
,,,EDO:B:2049,invalid,,,,,C(CO)O,
,,,EDO:B:2050,invalid,,,,,C(CO)O,
,,,TRC:A:2001,valid,,,,,C(C(CC(=O)O)C(=O)O)C(=O)O,
,,,TRC:B:2002,valid,,,,,C(C(CC(=O)O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,1U1I,,,,,,,
,,,K:B:797,Part of Protein,,,,,[K+],
,,,K:C:1197,Part of Protein,,,,,[K+],
,,,NAD:A:396,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:796,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1196,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1596,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:395,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:795,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1195,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1595,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4HN1,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,TDR:C:305,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:D:303,valid,,,,,CC1=CNC(=O)NC1=O,
,,,THM:A:306,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:305,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,TYD:A:305,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:304,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4HMZ,,,,,,,
,,,18T:A:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,18T:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,18T:C:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,18T:D:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6R77,,,,,,,
,,,HY3:A:401,valid,,,,,C1CN[C@@H]([C@H]1O)C(=O)O,
,,,HY3:B:401,valid,,,,,C1CN[C@@H]([C@H]1O)C(=O)O,
,Family. Representative Entry is ,1ZX5,,,,,,,
,,,ACY:A:502,invalid,,,,,CC(=O)O,
,,,ACY:A:503,invalid,,,,,CC(=O)O,
,,,ACY:A:504,invalid,,,,,CC(=O)O,
,,,ACY:A:505,invalid,,,,,CC(=O)O,
,,,ACY:A:506,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,EDO:A:800,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,LFR:A:600,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,2ZBL,,,,,,,
,,,BMA:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:C:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:D:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:E:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:F:506,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1U1W,,,,,,,
,,,3HA:A:700,valid,Kd,=,1.4,uM,c1cc(c(c(c1)O)N)C(=O)O,
,,,3HA:B:701,valid,Kd,=,1.4,uM,c1cc(c(c(c1)O)N)C(=O)O,
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,1XUA,,,,,,,
,,,HHA:A:1001,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,,HHA:B:1002,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,1U1X,,,,,,,
,,,HHA:A:401,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,,HHA:B:402,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,5IWE,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,W81:A:301,valid,,,,,CCO[C@@H]1C=CC=C([C@H]1[NH3+])C(=O)[O-],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5TPV,,,,,,,
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
2.4.2.30,,,,,,,,,
,Family. Representative Entry is ,5O2D,,,,,,,
,,,9HH:A:1201,valid,,,,,CS(=O)(=O)Nc1ccccc1c2cccc3c2[nH]c4c3cccc4,
,Family. Representative Entry is ,4MSG,,,,,,,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,2C6:B:1402,valid,ic50,=,0.1,nM,c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4,
,,,2C6:A:1402,valid,ic50,=,0.1,nM,c1ccc(cc1)c2nnc(o2)C3CCC(CC3)NC(=O)CCSC4=Nc5ccccc5C(=O)N4,
,,6QXU,,,,,,,
,,,JKN:A:1402,valid,ic50,=,7,nM,CC(C)(c1ccc(cc1)C2=Nc3c(cc(cc3F)F)C(=O)N2)O,
,,,ZN:A:1403,Part of Protein,,,,,[Zn+2],
,,,BME:A:1401,invalid,,,,,C(CS)O,
,,3UDD,,,,,,,
,,,34M:A:1,valid,,,,,Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC,
,,,34M:B:1,valid,,,,,Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:10,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,4W6E,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,3J5:A:1402,valid,ic50,<,0.003,uM,Cc1cc(ncc1c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO)N5CCN([C@H](C5)C)C,
,,4MSK,,,,,,,
,,,2C8:D:1402,valid,ic50,=,0.063,uM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4,
,,,2C8:B:1402,valid,ic50,=,0.063,uM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4,
,,,2C8:A:1402,valid,ic50,=,0.063,uM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4,
,,,2C8:C:1402,valid,ic50,=,0.063,uM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)NC(=O)CCC4=Nc5ccccc5C(=O)N4,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1401,Part of Protein,,,,,[Zn+2],
,,4OA7,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1401,Part of Protein,,,,,[Zn+2],
,,,2XS:A:1402,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6,
,,,2XS:B:1402,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6,
,,,2XS:C:1402,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6,
,,,2XS:D:1402,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6,
,,4K4E,,,,,,,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,K4E:A:1402,valid,,,,,COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl,
,,,K4E:B:1402,valid,,,,,COc1ccc(cc1NCC(=O)NC2CCC(CC2)N3c4ccccc4NC3=O)Cl,
,,4N4V,,,,,,,
,,,2GY:A:1402,valid,ic50,=,0.002,uM,CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C,
,,,2GY:B:1402,valid,ic50,=,0.002,uM,CC1([C@@H](N(C(=O)O1)C2CCC(CC2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,5ECE,,,,,,,
,,,ZN:B:1404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1404,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1404,Part of Protein,,,,,[Zn+2],
,,,EDO:D:1403,invalid,,,,,C(CO)O,
,,,EDO:D:1402,invalid,,,,,C(CO)O,
,,,EDO:B:1401,invalid,,,,,C(CO)O,
,,,EDO:B:1402,invalid,,,,,C(CO)O,
,,,EDO:D:1401,invalid,,,,,C(CO)O,
,,,EDO:A:1401,invalid,,,,,C(CO)O,
,,,EDO:C:1402,invalid,,,,,C(CO)O,
,,,5N2:A:1402,valid,ic50,=,9,nM,c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N,
,,,5N2:C:1403,valid,ic50,=,9,nM,c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N,
,,,5N2:B:1403,valid,ic50,=,9,nM,c1ccc2c(c1)C(=NNC2=O)Cc3cccc(c3)C(=O)N4CCN(CC4)c5c(cccn5)C#N,
,,,ACT:C:1401,invalid,,,,,CC(=O)[O-],
,,4TOR,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1401,Part of Protein,,,,,[Zn+2],
,,,IW8:D:1402,valid,,,,,CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br,
,,,IW8:B:1402,valid,,,,,CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br,
,,,IW8:C:1402,valid,,,,,CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br,
,,,IW8:A:1402,valid,,,,,CCN(c1cccc(c1)C)C(=O)C2CCN(CC2)S(=O)(=O)c3cc4c(ccn4C(=O)C)cc3Br,
,,,CL:D:1408,invalid,,,,,[Cl-],
,,,CL:D:1407,invalid,,,,,[Cl-],
,,,CL:A:1404,invalid,,,,,[Cl-],
,,,CL:C:1408,invalid,,,,,[Cl-],
,,,CL:B:1404,invalid,,,,,[Cl-],
,,,CL:A:1405,invalid,,,,,[Cl-],
,,,CL:D:1403,invalid,,,,,[Cl-],
,,,CL:B:1405,invalid,,,,,[Cl-],
,,,CL:B:1403,invalid,,,,,[Cl-],
,,,CL:C:1406,invalid,,,,,[Cl-],
,,,CL:B:1406,invalid,,,,,[Cl-],
,,,CL:A:1407,invalid,,,,,[Cl-],
,,,CL:D:1406,invalid,,,,,[Cl-],
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:B:1407,invalid,,,,,[Cl-],
,,,CL:D:1405,invalid,,,,,[Cl-],
,,,CL:C:1404,invalid,,,,,[Cl-],
,,,CL:C:1407,invalid,,,,,[Cl-],
,,,CL:A:1406,invalid,,,,,[Cl-],
,,,CL:D:1404,invalid,,,,,[Cl-],
,,,CL:C:1403,invalid,,,,,[Cl-],
,,,CL:C:1405,invalid,,,,,[Cl-],
,,,CL:B:1408,invalid,,,,,[Cl-],
,,3UH4,,,,,,,
,,,GOL:A:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XAV:A:1,valid,ic50,=,0.011,uM,c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F,
,,,XAV:B:1,valid,ic50,=,0.011,uM,c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,4I9I,,,,,,,
,,,1DY:A:1402,valid,ic50,=,0.008,uM,COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3,
,,,1DY:D:1402,valid,ic50,=,0.008,uM,COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3,
,,,1DY:C:1402,valid,ic50,=,0.008,uM,COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3,
,,,1DY:B:1402,valid,ic50,=,0.008,uM,COc1ccccc1NC(=O)c2ccc(cc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1401,Part of Protein,,,,,[Zn+2],
,,4DVI,,,,,,,
,,,2IW:A:1402,valid,,,,,Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6,
,,,2IW:B:1402,valid,,,,,Cc1ccnc2c1cccc2NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,4LI6,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1XO:A:1406,valid,,,,,c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3,
,,,1XO:B:1403,valid,,,,,c1ccc(cc1)CCC(=O)N(Cc2cccs2)CC3=Nc4ccccc4C(=O)N3,
,,3UH2,,,,,,,
,,,P34:A:1,valid,ic50,=,1,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,P34:A:2,valid,ic50,=,1,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,P34:B:1,valid,ic50,=,1,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,P34:B:2,valid,ic50,=,1,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,5EBT,,,,,,,
,,,5N8:B:1401,valid,,,,,C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F,
,,,5N8:A:1402,valid,,,,,C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F,
,,,5N8:C:1402,valid,,,,,C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F,
,,,5N8:D:1402,valid,,,,,C[C@H]1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F,
,,,BU3:C:1401,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1401,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,ZN:C:1403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1402,Part of Protein,,,,,[Zn+2],
,,4MT9,,,,,,,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,2D6:A:1402,valid,ic50,=,0.1,nM,c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N,
,,,2D6:B:1402,valid,ic50,=,0.1,nM,c1ccc2c(c1)C(=O)NC(=N2)SCCC(=O)NC3CCC(CC3)Oc4ccc(cc4)C#N,
,,4N4T,,,,,,,
,,,2GV:B:1402,valid,ic50,=,0.049,uM,CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C,
,,,2GV:A:1402,valid,ic50,=,0.049,uM,CC1([C@@H](N(C(=O)O1)c2ccc(cc2)c3cc(c(nc3)N)c4ncccn4)c5ccccc5)C,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,4N3R,,,,,,,
,,,2GU:B:1402,valid,ic50,=,0.15,uM,CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C,
,,,2GU:A:1402,valid,ic50,=,0.15,uM,CC1(CC(=O)Nc2c1ccc(c2)NC(=O)c3cc(ccc3F)c4ccc5c(c4)cnc(n5)N)C,
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,4LI7,,,,,,,
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1XP:A:1405,valid,,,,,COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl,
,,,1XP:B:1404,valid,,,,,COc1cc(c(cc1C(=O)NCCN2CCC(CC2)C(=O)c3ccc(cc3)F)C#N)Cl,
,,,NA:A:1404,invalid,,,,,[Na+],
,,,NA:B:1403,invalid,,,,,[Na+],
,,4KRS,,,,,,,
,,,1SX:A:1406,valid,ic50,=,0.299,uM,CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3,
,,,1SX:B:1403,valid,ic50,=,0.299,uM,CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc3n2CCS3,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1401,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TOS,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2000,Part of Protein,,,,,[Zn+2],
,,,355:A:1402,valid,,,,,CC1=CC=CC2=NC(=CC(=O)N12)CN3c4ccccc4C(=O)N(C3=O)CC5CCC(CC5)C(=O)NCc6ccccc6,
,Family. Representative Entry is ,4BUY,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2166,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F37:B:2164,valid,ic50,=,5,nM,C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,F37:A:2164,valid,ic50,=,5,nM,C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,PEG:B:2166,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,4BUV,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,PEG:C:2166,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,16I:C:2165,valid,ic50,=,21,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4,
,,,16I:A:2165,valid,ic50,=,21,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)NC(=O)c4cccs4,
,,4BJ9,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,UHB:A:2165,valid,ic50,=,45,nM,c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O,
,,,UHB:B:2165,valid,ic50,=,45,nM,c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)CNC2=O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,4BU3,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,F40:A:2165,valid,ic50,=,59,nM,c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,F40:B:2165,valid,ic50,=,59,nM,c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,3P0Q,,,,,,,
,,,NA:A:5,Part of Protein,,,,,[Na+],
,,,NA:C:6,Part of Protein,,,,,[Na+],
,,,NNL:A:1163,valid,,,,,Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl,
,,,NNL:C:2,valid,,,,,Cc1cc(c2nncn2n1)NCCc3ccc(cc3)Cl,
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,4UFU,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,2ZI:B:2165,valid,ic50,=,10,nM,Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,2ZI:A:2165,valid,ic50,=,10,nM,Cc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,4UVX,,,,,,,
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2164,Part of Protein,,,,,[Zn+2],
,,,GOL:A:2164,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,H2W:A:2166,valid,ic50,=,11,nM,c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl,
,,,H2W:B:2165,valid,ic50,=,11,nM,c1cc2c(c(c1)F)C=C(NC2=O)c3ccc(cc3)Cl,
,,4UFY,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,M3W:B:2165,valid,ic50,=,7,nM,Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C,
,,,M3W:A:2165,valid,ic50,=,7,nM,Cc1ccc(cc1)C2=Nc3c(cccc3C(=O)N2)C,
,,4BJC,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,RPB:A:2162,valid,ic50,=,14,nM,CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3,
,,4UVZ,,,,,,,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5NN:C:2165,valid,,,,,c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2,
,,,5NN:A:2165,valid,,,,,c1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2,
,,,PEG:C:2166,invalid,,,,,C(COCCO)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,5AEH,,,,,,,
,,,ZN:B:1173,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1173,Part of Protein,,,,,[Zn+2],
,,,8IR:B:1170,valid,ic50,=,0.037,uM,COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4,
,,,8IR:A:1170,valid,ic50,=,0.037,uM,COc1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)N(c3ccccc3Cl)c4ccncn4,
,,4UVV,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,W8L:A:2162,valid,ic50,=,32,nM,Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl,
,,,W8L:B:2162,valid,ic50,=,32,nM,Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl,
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2163,Part of Protein,,,,,[Zn+2],
,,5OWT,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F37:B:1203,valid,,,,,C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,F37:A:1203,valid,,,,,C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,ZN:B:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,4UHG,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,SZ5:A:2165,valid,ic50,=,540,nM,Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,SZ5:B:2165,valid,ic50,=,540,nM,Cc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,4UVY,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SGW:A:2165,valid,ic50,=,5.5,nM,COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl,
,,,SGW:B:2165,valid,ic50,=,5.5,nM,COc1cccc2c1C=C(NC2=O)c3ccc(cc3)Cl,
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,5NUT,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9A8:A:1204,valid,ic50,=,12,nM,CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,9A8:B:1204,valid,ic50,=,12,nM,CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,4BU8,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,27F:C:2165,valid,ic50,=,28,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N,
,,,27F:A:2165,valid,ic50,=,28,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C#N,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,4UVW,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,NYJ:A:2165,valid,ic50,=,19,nM,Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C,
,,,NYJ:B:2165,valid,ic50,=,19,nM,Cc1cccc2c1C(=C(NC2=O)c3ccccc3)C,
,,5NOB,,,,,,,
,,,ZN:B:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,92T:B:1301,valid,ic50,=,0.0063,uM,c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl,
,,,92T:A:1301,valid,ic50,=,0.0063,uM,c1ccc(c(c1)n2c(nnc2C3CC(C3)N4c5ccc(cc5NC4=O)C#N)c6ccncn6)Cl,
,,4BUX,,,,,,,
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,F35:C:2165,valid,ic50,=,34,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O,
,,,F35:A:2166,valid,ic50,=,34,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CN4C(=O)CNC4=O,
,,,GOL:A:2163,invalid,,,,,C(C(CO)O)O,
,,4BJB,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,P34:A:2166,valid,ic50,=,219,nM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,GOL:A:2164,invalid,,,,,C(C(CO)O)O,
,,3P0N,,,,,,,
,,,BPU:A:1163,valid,,,,,c1cc2n(c1)-c3ccc(cc3NC2=O)Br,
,,,BPU:C:1163,valid,,,,,c1cc2n(c1)-c3ccc(cc3NC2=O)Br,
,,,GOL:C:11,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,3U9Y,,,,,,,
,,,09L:A:1165,valid,,,,,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,
,,,GOL:A:1164,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,5AL5,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JL9:A:2165,valid,ic50,=,71,nM,c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3,
,,,JL9:B:2165,valid,ic50,=,71,nM,c1cnccc1CN2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3,
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,4BUW,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F33:B:2165,valid,ic50,=,15,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O,
,,,F33:A:2167,valid,ic50,=,15,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOC4=O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,PEG:A:2168,invalid,,,,,C(COCCO)O,
,,4UVT,,,,,,,
,,,PEG:A:2166,invalid,,,,,C(COCCO)O,
,,,PEG:C:2165,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,G1O:C:2166,valid,,,,,CC1=CNC(=O)c2c1c(ccc2)N,
,,,G1O:A:2167,valid,,,,,CC1=CNC(=O)c2c1c(ccc2)N,
,,4BUE,,,,,,,
,,,JQF:A:2166,valid,ic50,=,71,nM,CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,JQF:B:2165,valid,ic50,=,71,nM,CC(C)CC(=O)Nc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2163,invalid,,,,,C(C(CO)O)O,
,,5AL4,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,WLH:B:2166,valid,ic50,=,300,nM,CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2,
,,,WLH:A:2165,valid,ic50,=,300,nM,CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2,
,,,GOL:B:2165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,4W5I,,,,,,,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3GX:B:1204,valid,ic50,=,97,nM,CN1CCCC2=C1C=C(NC2=O)c3ccccc3,
,,,3GX:A:1204,valid,ic50,=,97,nM,CN1CCCC2=C1C=C(NC2=O)c3ccccc3,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,4BUD,,,,,,,
,,,GOL:C:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,29F:A:2165,valid,ic50,=,5,nM,CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,29F:C:2165,valid,ic50,=,5,nM,CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,4BFP,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2165,Part of Protein,,,,,[Zn+2],
,,,SWY:B:2162,valid,,,,,COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6,
,,,SWY:A:2162,valid,,,,,COc1ccc(cc1)n2c(nnc2SCCCN3C(=O)c4cccc5c4c(ccc5)C3=O)c6ccncc6,
,,4UVU,,,,,,,
,,,U1T:B:2162,valid,ic50,=,1200,nM,Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4,
,,,U1T:A:2162,valid,ic50,=,1200,nM,Cc1cccc2c1C=C(NC2=O)c3ccc(cc3)CN4CCCC4,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2163,Part of Protein,,,,,[Zn+2],
,,5AKW,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,NKI:A:2163,valid,ic50,=,410,nM,c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl,
,,,NKI:B:2163,valid,ic50,=,410,nM,c1ccc2c(c1)C(=O)N[C@H](N2)c3ccc(cc3)Cl,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,5AL2,,,,,,,
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2165,Part of Protein,,,,,[Zn+2],
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,O53:B:2164,valid,ic50,=,360,nM,CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2,
,,,O53:A:2164,valid,ic50,=,360,nM,CC(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,4BS4,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A64:A:2165,valid,ic50,=,72,nM,CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,A64:B:2165,valid,ic50,=,72,nM,CC(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,PEG:B:2166,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,5AL3,,,,,,,
,,,TGW:B:3166,valid,ic50,=,11000,nM,CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl,
,,,TGW:A:3168,valid,ic50,=,11000,nM,CN1c2c(cccn2)C(=O)N[C@H]1c3ccc(cc3Cl)Cl,
,,,SO4:B:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:3162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3162,Part of Protein,,,,,[Zn+2],
,,,GOL:A:3166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3167,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3165,invalid,,,,,C(C(CO)O)O,
,,4UVN,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CDJ:A:2166,valid,,,,,c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl,
,,,CDJ:B:2165,valid,,,,,c1cc2c(c(c1)N)C=C(NC2=O)c3ccc(cc3)Cl,
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,4BUS,,,,,,,
,,,32F:B:3165,valid,ic50,=,176,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O,
,,,32F:A:3165,valid,ic50,=,176,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O,
,,,GOL:A:3166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3167,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:3162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3162,Part of Protein,,,,,[Zn+2],
,,3KR8,,,,,,,
,,,GOL:A:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:11,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XAV:A:1163,valid,Kd,=,8,nM,c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F,
,,,XAV:C:1163,valid,Kd,=,8,nM,c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,4M7B,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:C:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,28C:A:1202,valid,ic50,=,200,nM,Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O,
,,,28C:C:1202,valid,ic50,=,200,nM,Cc1cc(c2nncn2n1)NCCc3ccc(cc3)O,
,,5AL1,,,,,,,
,,,GN5:A:2167,valid,ic50,=,53000,nM,CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2,
,,,GN5:B:2166,valid,ic50,=,53000,nM,CC(C)(C)c1ccc(cc1)[C@H]2Nc3c(cccn3)C(=O)N2,
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:2165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:2164,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2164,Part of Protein,,,,,[Zn+2],
,,4BUU,,,,,,,
,,,ZN:B:2163,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,SO4:B:2166,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2167,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2166,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F38:A:2162,valid,ic50,=,56,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N,
,,,F38:B:2162,valid,ic50,=,56,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)CS(=O)(=O)N,
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2164,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2164,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2168,invalid,,,,,C(COCCO)O,
,,4UVS,,,,,,,
,,,R4E:C:2165,valid,,,,,CCCCCC1=Cc2c(cccc2N)C(=O)N1,
,,,R4E:A:2166,valid,,,,,CCCCCC1=Cc2c(cccc2N)C(=O)N1,
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UVO,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,5WW:B:2166,valid,,,,,COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2,
,,,5WW:A:2166,valid,,,,,COc1ccc(cc1)C2=Cc3c(cccc3N)C(=O)N2,
,,4BU9,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,08C:B:2165,valid,ic50,=,9,nM,COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,08C:A:2165,valid,ic50,=,9,nM,COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2169,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2168,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,5OWS,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,KC8:A:1204,valid,,,,,C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,KC8:B:1204,valid,,,,,C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,3P0P,,,,,,,
,,,NNF:A:1163,valid,,,,,CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F,
,,,NNF:C:2,valid,,,,,CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,4BU6,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RGK:B:2165,valid,ic50,=,73,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N,
,,,RGK:A:2165,valid,ic50,=,73,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2162,Part of Protein,,,,,[Zn+2],
,,3MHJ,,,,,,,
,,,M3F:A:2,valid,,,,,Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F,
,,,M3F:B:2,valid,,,,,Cc1cc(nc2c1-c3ccccc3C(=O)N2)C(F)(F)F,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,4UVL,,,,,,,
,,,PEG:A:2166,invalid,,,,,C(COCCO)O,
,,,PEG:C:2166,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,32X:C:2165,valid,,,,,c1cc2c(c(c1)N)CC=NC2=O,
,,,32X:A:2165,valid,,,,,c1cc2c(c(c1)N)CC=NC2=O,
,,4BUF,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2165,Part of Protein,,,,,[Zn+2],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2167,invalid,,,,,C(C(CO)O)O,
,,,F36:B:2162,valid,ic50,=,38,nM,CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,F36:A:2162,valid,ic50,=,38,nM,CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,5AKU,,,,,,,
,,,ZN:A:2165,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2165,Part of Protein,,,,,[Zn+2],
,,,GOL:B:2167,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2168,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,29F:B:2164,valid,ic50,=,150,nM,CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,29F:A:2164,valid,ic50,=,150,nM,CC(C)(C)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,4BUA,,,,,,,
,,,91F:A:2163,valid,ic50,=,35,nM,CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,91F:C:2163,valid,ic50,=,35,nM,CSc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,4BU5,,,,,,,
,,,ZN:B:2163,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,3F4:A:2162,valid,ic50,=,102,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O,
,,,3F4:B:2162,valid,ic50,=,102,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O,
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:2167,invalid,,,,,C(COCCO)O,
,,,PEG:B:2167,invalid,,,,,C(COCCO)O,
,,4UX4,,,,,,,
,,,SO4:B:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,E9L:B:2162,valid,,,,,Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C,
,,,E9L:A:2162,valid,,,,,Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C,
,,,ZN:B:2163,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2163,Part of Protein,,,,,[Zn+2],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2166,invalid,,,,,C(C(CO)O)O,
,,4BU7,,,,,,,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2166,invalid,,,,,C(C(CO)O)O,
,,,25F:A:2165,valid,ic50,=,11,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br,
,,,25F:C:2165,valid,ic50,=,11,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)Br,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,,3U9H,,,,,,,
,,,GOL:A:1164,invalid,,,,,C(C(CO)O)O,
,,,NCA:A:1163,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1164,valid,,,,,c1cc(cnc1)C(=O)N,
,,,PEG:A:2,invalid,,,,,C(COCCO)O,
,,,PEG:B:1165,invalid,,,,,C(COCCO)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3UA9,,,,,,,
,,,IWR:A:2,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6,
,,,IWR:B:1,valid,,,,,c1cc2cccnc2c(c1)NC(=O)c3ccc(cc3)N4C(=O)[C@H]5[C@@H]6C[C@H]([C@H]5C4=O)C=C6,
,,,PEG:A:1164,invalid,,,,,C(COCCO)O,
,,,PEG:B:1164,invalid,,,,,C(COCCO)O,
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,4BUT,,,,,,,
,,,31F:B:3165,valid,ic50,=,12,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N,
,,,31F:A:3165,valid,ic50,=,12,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)S(=O)(=O)N,
,,,GOL:A:3166,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3166,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:3167,invalid,,,,,C(COCCO)O,
,,,PEG:A:3167,invalid,,,,,C(COCCO)O,
,,,ZN:B:3162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3162,Part of Protein,,,,,[Zn+2],
,,4BUI,,,,,,,
,,,GOL:C:2166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2165,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W2E:C:2165,valid,ic50,=,23,nM,COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,W2E:A:2166,valid,ic50,=,23,nM,COC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,ZN:A:2162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2162,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5NWD,,,,,,,
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9C8:A:1201,valid,ic50,=,10,nM,CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,9C8:B:1201,valid,ic50,=,10,nM,CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:H:1202,invalid,,,,,C(C(CO)O)O,
,,4L10,,,,,,,
,,,A63:B:1204,valid,,,,,COc1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,A63:A:1204,valid,,,,,COc1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,5NSP,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,97E:B:1204,valid,ic50,=,0.34,uM,c1ccc(c(c1)n2c(nnc2c3ccncn3)c4ccc(cc4)N5c6ccc(cc6NC5=O)C#N)Cl,
,,,GOL:C:1202,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,BCT:B:1205,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:1203,invalid,,,,,C(=O)(O)[O-],
,,5NWC,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,9CE:A:1204,valid,ic50,=,700,nM,c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N,
,,,9CE:B:1203,valid,ic50,=,700,nM,c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N,
,,4L33,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:1205,invalid,,,,,C(COCCO)O,
,,,PEG:B:1205,invalid,,,,,C(COCCO)O,
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,F70:B:1204,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N,
,,,F70:A:1204,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)OCC#N,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4UI4,,,,,,,
,,,RJN:A:2116,valid,ic50,=,45,nM,c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,RJN:B:2117,valid,ic50,=,45,nM,c1ccc(cc1)COC(=O)NCc2ccc(cc2)C3=Nc4ccccc4C(=O)N3,
,,,SO4:B:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:2116,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2115,Part of Protein,,,,,[Zn+2],
,,5NWB,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,9C5:B:1204,valid,ic50,=,16,nM,CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,9C5:A:1204,valid,ic50,=,16,nM,CN(CCO)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,5NVC,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9AN:A:1203,valid,ic50,=,650,nM,c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O,
,,,9AN:B:1203,valid,ic50,=,650,nM,c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)O,
,,,GOL:C:1202,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,4KZQ,,,,,,,
,,,DFL:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O,
,,,DFL:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,4L2K,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,1V8:B:1204,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4,
,,,1V8:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc4c(c3)OCO4,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,5NT0,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,97H:A:1204,valid,ic50,=,280,nM,c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N,
,,,97H:B:1204,valid,ic50,=,280,nM,c1ccc2c(c1)C(=O)NC(=N2)c3cccc(c3)N,
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,4UI6,,,,,,,
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ECZ:A:2113,valid,ic50,=,87,nM,COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,ECZ:B:2114,valid,ic50,=,87,nM,COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,ZN:A:2116,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2116,Part of Protein,,,,,[Zn+2],
,,,GOL:C:2162,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2117,invalid,,,,,C(C(CO)O)O,
,,4UI8,,,,,,,
,,,SO4:C:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IY5:B:2116,valid,ic50,=,25,nM,c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,IY5:A:2115,valid,ic50,=,25,nM,c1cc2c(c(c1)O)N=C(NC2=O)c3ccc(cc3)C(F)(F)F,
,,,ZN:A:2113,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2114,Part of Protein,,,,,[Zn+2],
,,,GOL:C:2163,invalid,,,,,C(C(CO)O)O,
,,4L0V,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1V1:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl,
,,,1V1:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Cl,
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4L31,,,,,,,
,,,F08:A:1201,valid,,,,,COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,F08:B:1202,valid,,,,,COC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,5NVH,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,9B2:A:1204,valid,ic50,=,15,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4,
,,,9B2:B:1204,valid,ic50,=,15,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4,
,,,PEG:I:1202,invalid,,,,,C(COCCO)O,
,,4L2F,,,,,,,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,1V3:A:1201,valid,,,,,c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)Cl,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4UI3,,,,,,,
,,,SO4:C:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2113,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2114,Part of Protein,,,,,[Zn+2],
,,,GOL:C:2163,invalid,,,,,C(C(CO)O)O,
,,,06R:A:2115,valid,ic50,=,133,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F,
,,,06R:B:2116,valid,ic50,=,133,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)C(F)(F)F,
,,4KZU,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A73:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br,
,,,A73:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)Br,
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4UVP,,,,,,,
,,,NGJ:A:2119,valid,,,,,CCC1=Cc2c(cccc2N)C(=O)N1,
,,,NGJ:C:2118,valid,,,,,CCC1=Cc2c(cccc2N)C(=O)N1,
,,,GOL:B:2162,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:C:2115,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2115,Part of Protein,,,,,[Zn+2],
,,,PEG:A:2118,invalid,,,,,C(COCCO)O,
,,,PEG:C:2117,invalid,,,,,C(COCCO)O,
,,5ADS,,,,,,,
,,,PEG:A:2120,invalid,,,,,C(COCCO)O,
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2119,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2121,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:2114,Part of Protein,,,,,[Zn+2],
,,,QNS:A:2117,valid,ic50,=,2.15,uM,COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3Cl)NC(=O)c4ccco4,
,,,BCT:A:2118,invalid,,,,,C(=O)(O)[O-],
,,5NVF,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,9AW:B:1204,valid,ic50,=,16,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4,
,,,9AW:A:1204,valid,ic50,=,16,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4,
,,5ADR,,,,,,,
,,,QS5:A:2115,valid,ic50,=,2.3,uM,Cc1ccc(o1)C(=O)Nc2ccc(cc2)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC,
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2116,Part of Protein,,,,,[Zn+2],
,,,BCT:A:2117,invalid,,,,,C(=O)(O)[O-],
,,5NWG,,,,,,,
,,,9CB:A:1203,valid,ic50,=,660,nM,CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl,
,,,9CB:B:1204,valid,ic50,=,660,nM,CN(CCO)c1ccc(cc1)C2=Nc3cc(ccc3C(=O)N2)Cl,
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,4L09,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1UR:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O,
,,,1UR:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C(=O)O,
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4L34,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,1VG:B:1204,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4,
,,,1VG:A:1204,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4L0S,,,,,,,
,,,1UZ:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N,
,,,1UZ:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)C#N,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,5NSX,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,97K:A:1204,valid,ic50,=,400,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4,
,,,97K:B:1203,valid,ic50,=,400,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc4c(c3)c[nH]n4,
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4UI5,,,,,,,
,,,GOL:A:2118,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2162,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2117,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BJ4:A:2116,valid,ic50,=,167,nM,Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2,
,,,BJ4:B:2116,valid,ic50,=,167,nM,Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2,
,,,ZN:A:2113,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2114,Part of Protein,,,,,[Zn+2],
,,5ADQ,,,,,,,
,,,A95:A:2117,valid,ic50,=,2.01,uM,COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(cc3)NC(=O)c4ccco4,
,,,SO4:A:2116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:2119,invalid,,,,,C(C(CO)O)O,
,,,BCT:A:2118,invalid,,,,,C(=O)(O)[O-],
,,,ZN:A:2114,Part of Protein,,,,,[Zn+2],
,,5NT4,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,97Z:B:1204,valid,ic50,=,17,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4,
,,,97Z:A:1204,valid,ic50,=,17,nM,c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCOCC4,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,4UI7,,,,,,,
,,,VT3:A:2116,valid,ic50,=,44,nM,Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2,
,,,VT3:B:2117,valid,ic50,=,44,nM,Cc1ccc(cc1)C2=Nc3c(cccc3O)C(=O)N2,
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2113,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2114,Part of Protein,,,,,[Zn+2],
,,,GOL:C:2162,invalid,,,,,C(C(CO)O)O,
,,4L0T,,,,,,,
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1202,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1V0:B:1201,valid,ic50,=,140,nM,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-],
,,,1V0:A:1201,valid,ic50,=,140,nM,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)[N+](=O)[O-],
,,5ADT,,,,,,,
,,,1TC:A:2116,valid,ic50,=,2.23,uM,Cc1ncc(o1)C(=O)Nc2ccc(c(c2)Cl)C(=O)NCC3(CCOCC3)c4ccc(cc4)OC,
,,,SO4:B:2162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BCT:A:2114,invalid,,,,,C(=O)(O)[O-],
,,,ZN:A:2117,Part of Protein,,,,,[Zn+2],
,,5NXE,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,9D5:B:1204,valid,,,,,CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2,
,,,9D5:A:1204,valid,,,,,CN(CCO)c1ccc(cc1)C2Nc3ccccc3C(=O)N2,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,4L0I,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,1UW:A:1201,valid,,,,,CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,1UW:B:1201,valid,,,,,CCOC(=O)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,4L0B,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1UT:B:1204,valid,,,,,CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,1UT:A:1204,valid,,,,,CN(C)c1ccc(cc1)C2=CC(=O)c3ccccc3O2,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,4L32,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1VF:B:1204,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3,
,,,1VF:A:1204,valid,,,,,CN1CCN(CC1)C(=O)c2ccc(cc2)C3=CC(=O)c4ccccc4O3,
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,5NVE,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9AQ:B:1204,valid,ic50,=,35,nM,CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,9AQ:A:1204,valid,ic50,=,35,nM,CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2,
,,,GOL:H:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1203,Part of Protein,,,,,[Zn+2],
,,4L2G,,,,,,,
,,,1V4:A:1205,valid,,,,,c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F,
,,,1V4:B:1203,valid,,,,,c1ccc(cc1)C2=CC(=O)c3cc(ccc3O2)F,
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,,,PEG:D:1202,invalid,,,,,C(COCCO)O,
,,,PEG:A:1203,invalid,,,,,C(COCCO)O,
,,4KZL,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,20D:B:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F,
,,,20D:A:1201,valid,,,,,c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)F,
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1201,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4PJT,,,,,,,
,,,2YQ:B:1105,valid,ic50,=,0.57,nM,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,2YQ:C:1104,valid,ic50,=,0.57,nM,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,2YQ:D:1104,valid,ic50,=,0.57,nM,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,2YQ:A:1105,valid,ic50,=,0.57,nM,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,SO4:C:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,5XSU,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8E3:B:407,valid,Kd,=,180,nM,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F,
,,,8E3:A:407,valid,Kd,=,180,nM,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F,
,,,8E3:D:403,valid,Kd,=,180,nM,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F,
,,,8E3:C:403,valid,Kd,=,180,nM,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(o3)CNCC4)F,
,,4R6E,,,,,,,
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,3JD:C:1101,valid,ic50,=,132,nM,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4,
,,,3JD:B:1101,valid,ic50,=,132,nM,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4,
,,,3JD:D:1101,valid,ic50,=,132,nM,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4,
,,,3JD:A:1101,valid,ic50,=,132,nM,c1cc2cn(nc2c(c1)C(=O)N)c3ccc(cc3)[C@@H]4CCCNC4,
,,4ZZZ,,,,,,,
,,,SO4:B:2014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FSU:A:2019,valid,Kd,=,0.087,uM,COCCCN1Cc2cccc(c2C1=O)C(=O)N,
,,,FSU:B:2015,valid,Kd,=,0.087,uM,COCCCN1Cc2cccc(c2C1=O)C(=O)N,
,,,GOL:B:2013,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2017,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2018,invalid,,,,,C(C(CO)O)O,
,,5XSR,,,,,,,
,,,8EC:A:401,valid,Kd,=,0.000000064,M,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CNCC4)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VKK,,,,,,,
,,,GOL:D:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,RPB:C:1101,valid,,,,,CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3,
,,,RPB:B:1202,valid,,,,,CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3,
,,,RPB:A:1101,valid,,,,,CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3,
,,,RPB:D:1101,valid,,,,,CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3,
,,,SO4:D:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GJW,,,,,,,
,,,GJW:A:351,valid,Ki,=,0.005,uM,c1cc2n(c1)-c3ccc(cc3NC2=O)CN4CCCC4,
,,4L6S,,,,,,,
,,,1WQ:B:1100,valid,Kd,=,0.003,uM,C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl,
,,,1WQ:A:1100,valid,Kd,=,0.003,uM,C[C@H]1C(=O)Nc2cc(ccc2O1)CN3CCC(=CC3)c4ccc(cc4)Cl,
,,4HHY,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,15R:A:401,valid,ic50,=,1.92,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F,
,,,15R:D:401,valid,ic50,=,1.92,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F,
,,,15R:B:401,valid,ic50,=,1.92,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F,
,,,15R:C:401,valid,ic50,=,1.92,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCC(CC4)C(=O)N5CCc6cccc7c6[C@@H]5CNC7=O)F,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,4UND,,,,,,,
,,,NA:B:2012,invalid,,,,,[Na+],
,,,2YQ:A:2011,valid,,,,,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,2YQ:B:2011,valid,,,,,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,5XST,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8E6:A:401,valid,ic50,=,27,nM,c1c(cc2c(c1C(=O)N)nc([nH]2)c3cc4c(s3)CCNC4)F,
,,3L3L,,,,,,,
,,,L3L:A:351,valid,Ki,=,33,nM,c1cc2c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3,
,,3L3M,,,,,,,
,,,A92:A:351,valid,Ki,=,0.006,uM,c1cc(c2c(c1)nc([nH]2)c3ccc(cc3F)[C@@H]4CCCCN4)C(=O)N,
,,6XVW,,,,,,,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1110,invalid,,,,,C(CO)O,
,,,EDO:A:1108,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1109,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,NI:A:1103,Part of Protein,,,,,[Ni+2],
,,,NI:A:1104,Part of Protein,,,,,[Ni+2],
,,,NI:A:1101,Part of Protein,,,,,[Ni+2],
,,,NI:B:1101,Part of Protein,,,,,[Ni+2],
,,,NI:B:1102,Part of Protein,,,,,[Ni+2],
,,,NI:A:1102,Part of Protein,,,,,[Ni+2],
,,,O3H:A:1111,valid,,,,,c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4,
,,,O3H:B:1105,valid,,,,,c1ccc2c(c1)C(=O)NC(=N2)SCCN3CCN(CC3)c4ccccn4,
,Family. Representative Entry is ,6A84,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,9SU:A:1202,valid,ic50,=,5.3,nM,c1cc2c(c(c1)Cl)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CN2,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5ZQP,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,9H3:A:1202,valid,ic50,=,18.3,nM,c1ccc2c(c1)C3(CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)C(=O)O2,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5ZQQ,,,,,,,
,,,9H6:A:1202,valid,,,,,CN1c2ccccc2C3(C1=O)CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5ZQO,,,,,,,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1206,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,9GX:A:1202,valid,ic50,=,19.4,nM,COc1ccccc1N2CCN(CC2)C3=NC4=C(CCCC4)C(=O)N3,
,,5ZQR,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9H9:A:1202,valid,ic50,=,10.6,nM,c1c(cc(c2c1N(CC23CCN(CC3)C4=NC5=C(CCCC5)C(=O)N4)CCO)F)F,
,,6KRO,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DU9:A:1201,valid,ic50,=,39.2,nM,C[C@@H]1CN(C[C@@H](O1)C)c2cc3c(c(c2)F)C4(CCN(CC4)C5=NC6=C(CCCN6C)C(=O)N5)C(=O)N3C,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3KJD,,,,,,,
,,,78P:A:1,valid,Kd,=,2.9,nM,C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N,
,,,78P:B:1,valid,Kd,=,2.9,nM,C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N,
,,,GOL:A:580,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2,invalid,,,,,C(C(CO)O)O,
,,4TVJ,,,,,,,
,,,09L:B:601,valid,ic50,=,251,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,
,,,09L:A:601,valid,ic50,=,251,nM,c1ccc2c(c1)C(=NNC2=O)Cc3ccc(c(c3)C(=O)N4CCN(CC4)C(=O)C5CC5)F,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,4ZZY,,,,,,,
,,,D7N:A:1584,valid,Kd,=,1.389,uM,c1c(cc(c2c1CN(C2=O)C3CCN(CC3)C4CCC(CC4)(F)F)C(=O)N)F,
,,4PJV,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,2YQ:A:601,valid,,,,,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,,2YQ:B:601,valid,,,,,Cn1c(ncn1)[C@@H]2[C@H](Nc3cc(cc4c3C2=NNC4=O)F)c5ccc(cc5)F,
,,3KCZ,,,,,,,
,,,3AB:A:1,valid,,,,,c1cc(cc(c1)N)C(=O)N,
,,,3AB:B:1,valid,,,,,c1cc(cc(c1)N)C(=O)N,
,,,GOL:A:580,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:580,invalid,,,,,C(C(CO)O)O,
,,4ZZX,,,,,,,
,,,FSU:A:1584,valid,Kd,=,0.125,uM,COCCCN1Cc2cccc(c2C1=O)C(=O)N,
,,,FSU:B:1584,valid,Kd,=,0.125,uM,COCCCN1Cc2cccc(c2C1=O)C(=O)N,
,Family. Representative Entry is ,4D86,,,,,,,
,,,ADP:A:1202,valid,Kd,=,6.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1201,valid,Kd,=,6.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4GV4,,,,,,,
,,,MEJ:A:601,valid,ic50,=,0.89,uM,C[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,3C4H,,,,,,,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,,DRL:A:601,valid,Kd,=,2,uM,CC1=NC2=C(CSCC2)C(=O)N1,
,,4L7P,,,,,,,
,,,M95:A:601,valid,,,,,c1ccc(cc1)C[C@@H](CO)NC(=O)/C=C/C2=NC(=O)c3ccccc3N2,
,,4L7L,,,,,,,
,,,1VA:A:601,valid,,,,,c1ccc(cc1)C[C@@H](CO)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,4L7N,,,,,,,
,,,1VB:A:601,valid,,,,,C[C@@H](c1ccc(cc1)S(=O)(=O)N)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,4L7R,,,,,,,
,,,M00:A:601,valid,,,,,CC[C@@H](CO)NC(=O)CCC1=Nc2ccccc2C(=O)N1,
,,4L6Z,,,,,,,
,,,1DC:A:601,valid,,,,,C[C@@H](c1ccncc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,3FHB,,,,,,,
,,,GAB:A:601,valid,Kd,>,2,uM,c1cc(cc(c1)N)C(=O)O,
,,4L70,,,,,,,
,,,1V9:A:601,valid,,,,,CC[C@@H](c1ccccc1)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,4GV0,,,,,,,
,,,8ME:A:601,valid,ic50,=,1.3,uM,C[C@@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,4L7O,,,,,,,
,,,1VD:A:601,valid,,,,,C[C@@H](c1ccc(cc1)n2ccnc2)NC(=O)CCC3=Nc4ccccc4C(=O)N3,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,4GV2,,,,,,,
,,,5ME:A:601,valid,,,,,C[C@H](c1ccccn1)NC(=O)CCC2=Nc3ccccc3C(=O)N2,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,5LYH,,,,,,,
,,,7B8:B:1901,valid,ic50,=,0.49,uM,c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N,
,,,7B8:A:1901,valid,ic50,=,0.49,uM,c1cc(cc(c1)NC(=O)CCC(=O)NCCc2cn(nn2)CCNS(=O)(=O)c3cccc(c3)C(=O)O)C(=O)N,
,,6G0W,,,,,,,
,,,EGW:B:1901,valid,ic50,=,5.2,uM,c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F,
,,,EGW:A:1901,valid,ic50,=,5.2,uM,c1cc(cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N3CCC(CC3)c4ccc(cc4)F,
,,3SMI,,,,,,,
,,,QDR:A:1,valid,,,,,Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N,
,,,QDR:B:2,valid,,,,,Cc1cccc2c1N=C(NC2=O)CSc3[nH]nc(n3)N,
,,5LXP,,,,,,,
,,,7AG:A:1901,valid,ic50,=,0.76,uM,C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3,
,,,7AG:B:1901,valid,ic50,=,0.76,uM,C[C@@H](Cn1cc(nn1)CNC(=O)CCCC(=O)Nc2cccc(c2)C(=O)N)c3ccccc3,
,,3SE2,,,,,,,
,,,3AB:C:4,valid,,,,,c1cc(cc(c1)N)C(=O)N,
,,,3AB:D:3,valid,,,,,c1cc(cc(c1)N)C(=O)N,
,,,CL:C:2,invalid,,,,,[Cl-],
,,,CL:D:1,invalid,,,,,[Cl-],
,,,GOL:A:1721,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1721,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4,invalid,,,,,C(C(CO)O)O,
,,,LDR:A:1,valid,,,,,c1ccc2c(c1)-c3ccccc3NC2=O,
,,,LDR:B:2,valid,,,,,c1ccc2c(c1)-c3ccccc3NC2=O,
,,,SCN:B:5,invalid,,,,,C(#N)[S-],
,,,SCN:C:7,invalid,,,,,C(#N)[S-],
,,,SCN:D:6,invalid,,,,,C(#N)[S-],
,,6FYM,,,,,,,
,,,EBB:A:1901,valid,,,,,Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3,
,,,EBB:B:1901,valid,,,,,Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3,
,,,EBB:C:1901,valid,,,,,Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3,
,,,EBB:D:1901,valid,,,,,Cc1ccc2c(c1C)N=C(NC2=O)CSc3ncccn3,
,,,NO3:D:1902,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:1902,invalid,,,,,[N+](=O)([O-])[O-],
,,5V7T,,,,,,,
,,,91V:A:1801,valid,ic50,=,610,nM,c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCCNc4ccc5nncn5n4,
,,3SMJ,,,,,,,
,,,FDR:A:1,valid,,,,,CC1=Nc2c(c3c(s2)CCC3)C(=O)N1,
,,,FDR:B:2,valid,,,,,CC1=Nc2c(c3c(s2)CCC3)C(=O)N1,
,,,GOL:A:1721,invalid,,,,,C(C(CO)O)O,
,,4F1L,,,,,,,
,,,0RY:A:1801,valid,,,,,c1cc(cc(c1)NC(=O)/C=CC(=O)O)C(=O)N,
,,,0RY:B:1801,valid,,,,,c1cc(cc(c1)NC(=O)/C=CC(=O)O)C(=O)N,
,,,0RY:C:1801,valid,,,,,c1cc(cc(c1)NC(=O)/C=CC(=O)O)C(=O)N,
,,,0RY:D:1801,valid,,,,,c1cc(cc(c1)NC(=O)/C=CC(=O)O)C(=O)N,
,,,NO3:A:1802,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:1802,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6NRF,,,,,,,
,,,CL:A:1104,invalid,,,,,[Cl-],
,,,CL:A:1105,invalid,,,,,[Cl-],
,,,DMS:A:1102,invalid,,,,,CS(=O)C,
,,,CIT:A:1101,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,KYV:A:1103,valid,ic50,=,18,nM,c1ccc2c(c1)[nH]c(n2)N3CCN(CC3)C(=O)c4ccc(cc4)Cc5c(c6cccc(c6o5)C(=O)N)O,
,,6NRG,,,,,,,
,,,KYY:A:1101,valid,ic50,=,56,nM,c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(c(c3)F)c4[nH]nnn4)O,
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1107,invalid,,,,,CS(=O)C,
,,,DMS:A:1109,invalid,,,,,CS(=O)C,
,,6NRJ,,,,,,,
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1107,invalid,,,,,CS(=O)C,
,,,KYJ:A:1101,valid,ic50,=,36,nM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)c3ccc(cc3)/C=C4/C(=O)c5cccc(c5O4)C(=O)N,
,,6NRI,,,,,,,
,,,CL:A:1104,invalid,,,,,[Cl-],
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,,KYM:A:1101,valid,ic50,=,27,nM,c1cc2c(c(c1)C(=O)N)O/C(=Cc3ccc(cc3)C(=O)N4CCn5c(nnc5C6CC6)C4)/C2=O,
,,,CIT:A:1102,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6NTU,,,,,,,
,,,1PE:A:1104,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,DMS:A:1102,invalid,,,,,CS(=O)C,
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L1S:A:1105,valid,,,,,COC(=O)c1cnc(nc1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(cccc5n4)C(=O)N,
,,6NRH,,,,,,,
,,,KYP:A:1101,valid,ic50,=,55,nM,c1cc2c(c(oc2c(c1)C(=O)N)Cc3ccc(cc3)C(=O)N4CCN(CC4)c5ncccn5)O,
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1107,invalid,,,,,CS(=O)C,
,,6BHV,,,,,,,
,,,DQV:B:1101,valid,Kd,=,5.87,uM,c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,DQV:D:1101,valid,Kd,=,5.87,uM,c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,DQV:A:1101,valid,Kd,=,5.87,uM,c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,DQV:C:1101,valid,Kd,=,5.87,uM,c1cc(cc(c1)C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,Family. Representative Entry is ,1EFY,,,,,,,
,,,BZC:A:201,valid,Ki,=,6,nM,COc1cccc(c1)c2[nH]c3cccc(c3n2)C(=O)N,
,,2PAX,,,,,,,
,,,4AN:A:1,valid,ic50,=,0.18,uM,c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N,
,,3PAX,,,,,,,
,,,3MB:A:1,valid,ic50,=,10,uM,COc1cccc(c1)C(=O)N,
,,1PAX,,,,,,,
,,,DHQ:A:200,valid,,,,,Cc1cccc2c1CCNC2=O,
,,6I8T,,,,,,,
,,,H7Z:A:1101,valid,,,,,C[C@@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N,
,,6I8M,,,,,,,
,,,H7W:A:1101,valid,,,,,C[C@H]1c2cccc(c2C(=O)N1C3CCN(CC3)C4CCCCC4)C(=O)N,
,,1A26,,,,,,,
,,,CNA:A:200,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,Family. Representative Entry is ,5A3B,,,,,,,
,,,ZN:A:1293,Part of Protein,,,,,[Zn+2],
,,,GLY:A:1296,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1297,invalid,,,,,C(C(=O)O)N,
,,,APR:A:1294,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ALA:A:1298,invalid,,,,,C[C@@H](C(=O)O)N,
,,,EDO:A:1295,invalid,,,,,C(CO)O,
,,5A3C,,,,,,,
,,,GLY:A:1298,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1297,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:1299,invalid,,,,,C(C(=O)O)N,
,,,NAD:A:1294,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1293,Part of Protein,,,,,[Zn+2],
,,,EDO:A:1296,invalid,,,,,C(CO)O,
,,,EDO:A:1295,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4J3L,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,AJ5:A:1204,valid,Kd,=,0.016,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCOC,
,,4J1Z,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,495:B:1204,valid,,,,,c1ccc2c(c1)C(=O)NN=C2Cl,
,,,495:A:1204,valid,,,,,c1ccc2c(c1)C(=O)NN=C2Cl,
,,4J22,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AJ7:B:1204,valid,Kd,=,0.018,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4,
,,,AJ7:A:1204,valid,Kd,=,0.018,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)NCCN4CCOCC4,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,3MHK,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,P4L:A:2,valid,,,,,c1ccnc(c1)c2nc3c(c(n2)O)CSCC3,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4J3M,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AJ8:B:1204,valid,ic50,=,0.021,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O,
,,,AJ8:A:1204,valid,ic50,=,0.021,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)C(=O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,4IUE,,,,,,,
,,,AJ4:A:1204,valid,Kd,=,0.28,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,4J21,,,,,,,
,,,AJ6:A:1204,valid,Kd,=,0.039,uM,CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,3W51,,,,,,,
,,,AJ2:A:1201,valid,ic50,=,12,uM,Cc1cc(nc2c1cccc2)O,
,,,AJ2:B:1201,valid,ic50,=,12,uM,Cc1cc(nc2c1cccc2)O,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6EK3,,,,,,,
,,,OUL:A:901,valid,,,,,c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N,
,,,OUL:B:901,valid,,,,,c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)N,
,,4F0E,,,,,,,
,,,0RU:A:701,valid,,,,,Cc1cccc2c1NC(=NC2=O)CSc3ncccn3,
,,,0RU:C:701,valid,,,,,Cc1cccc2c1NC(=NC2=O)CSc3ncccn3,
,,,0RU:D:701,valid,,,,,Cc1cccc2c1NC(=NC2=O)CSc3ncccn3,
,Family. Representative Entry is ,5LX6,,,,,,,
,,,78P:A:1101,valid,ic50,=,1900,nM,C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N,
,,,78P:B:1101,valid,ic50,=,1900,nM,C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N,
,Family. Representative Entry is ,5GP7,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,SER LEU SER ARG THR PRO ALA ASP GLY ARG:B:1046,valid,,,,,,
,Family. Representative Entry is ,2HW2,,,,,,,
,,,RFP:A:1200,valid,Ki,=,1.07,mM,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
5.4.1.2,,,,,,,,,
,Family. Representative Entry is ,4FDV,,,,,,,
,,,0UK:A:301,valid,,,,,C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4AU1,,,,,,,
,,,P8X:A:1210,valid,,,,,C[C@@H]1C2=C(C(C(=N2)/C=C3/[C@H]([C@](C(=N3)/C=C4/[C@H]([C@]([C@@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C)C)CCC(=O)O,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.24.26,,,,,,,,,
,Family. Representative Entry is ,6F8B,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,CXH:A:404,valid,ic50,=,6.6,uM,c1cc(c(cc1NC(=O)CS)Cl)Cl,
,,,CXH:A:403,valid,ic50,=,6.6,uM,c1cc(c(cc1NC(=O)CS)Cl)Cl,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,1U4G,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,HPI:A:800,valid,,,,,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)O)C(=O)N,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:9800,Part of Protein,,,,,[Zn+2],
,,3DBK,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,RDF:A:2001,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6FZX,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,EEK:A:401,valid,Ki,=,12.3,uM,c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
1.1.1.153,,,,,,,,,
,Family. Representative Entry is ,4J7U,,,,,,,
,,,GOL:C:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PEG:C:805,invalid,,,,,C(COCCO)O,
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,,PEG:B:804,invalid,,,,,C(COCCO)O,
,,,PEG:A:806,invalid,,,,,C(COCCO)O,
,,,YTZ:A:802,valid,Ki,=,14,nM,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,,YTZ:B:802,valid,Ki,=,14,nM,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,,YTZ:C:802,valid,Ki,=,14,nM,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,,YTZ:D:802,valid,Ki,=,14,nM,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,6I79,,,,,,,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H5E:B:302,valid,,,,,CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O,
,,,H5E:A:302,valid,,,,,CC(C)(C)c1csc(n1)CN2C(=O)C3(CC3)NC2=O,
,,4HWK,,,,,,,
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SFY:B:806,valid,ic50,=,82,nM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N,
,,,SFY:D:803,valid,ic50,=,82,nM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N,
,,,SFY:C:804,valid,ic50,=,82,nM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N,
,,,SFY:A:807,valid,ic50,=,82,nM,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N,
,,,SO4:C:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,PEG:C:805,invalid,,,,,C(COCCO)O,
,,,PEG:A:810,invalid,,,,,C(COCCO)O,
,,6I6V,,,,,,,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H6E:A:302,valid,,,,,C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3,
,,,H6E:B:302,valid,,,,,C1CCC2(CC1)CCN(C2)S(=O)(=O)C[C@@H]3CCCOC3,
,,6I6P,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,H4T:B:302,valid,ic50,=,0.58,uM,c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl,
,,,H4T:A:302,valid,ic50,=,0.58,uM,c1c(cc(c(c1O)C(=O)N2CCC3(C2)CCC3)Cl)Cl,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1Z6Z,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:D:409,invalid,,,,,[Cl-],
,,,CL:E:404,invalid,,,,,[Cl-],
,,,CL:E:410,invalid,,,,,[Cl-],
,,,CL:F:411,invalid,,,,,[Cl-],
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:803,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:804,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:805,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:806,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Z3K,,,,,,,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4KL:A:802,valid,ic50,=,0.15,uM,c1cc2c(cc(nc2c(c1)O)C(=O)O)O,
,,,4KL:B:302,valid,ic50,=,0.15,uM,c1cc2c(cc(nc2c(c1)O)C(=O)O)O,
,,,4KL:C:302,valid,ic50,=,0.15,uM,c1cc2c(cc(nc2c(c1)O)C(=O)O)O,
,,,4KL:D:302,valid,ic50,=,0.15,uM,c1cc2c(cc(nc2c(c1)O)C(=O)O)O,
,,,NAP:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6I6F,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H4E:A:302,valid,,,,,CCOC(=O)c1ccc(c(c1)Br)N,
,,6I6C,,,,,,,
,,,H4H:A:302,valid,,,,,c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N,
,,,H4H:B:302,valid,,,,,c1cc(c(cc1S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)Cl)C#N,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XWY,,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,43O:D:302,valid,ic50,=,54,nM,Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC,
,,,43O:A:802,valid,ic50,=,54,nM,Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC,
,,,43O:C:302,valid,ic50,=,54,nM,Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC,
,,,43O:B:302,valid,ic50,=,54,nM,Cc1c(c2cc(ccc2[nH]1)O)CCNC(=O)COC,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6I6T,,,,,,,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H5B:B:302,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)Br,
,,,H5B:B:303,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)Br,
,,,H5B:A:302,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)Br,
,,,H5B:A:303,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)Br,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1OAA,,,,,,,
,,,NAP:A:800,invalid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OAA:A:1,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SEP,,,,,,,
,,,BIO:A:801,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1NAS,,,,,,,
,,,ASE:A:801,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)O,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OAA:A:1,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,Family. Representative Entry is ,2BD0,,,,,,,
,,,BIO:D:900,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:3800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.14.13.3,,,,,,,,,
,Family. Representative Entry is ,2YYJ,,,,,,,
,,,4HP:A:550,valid,,,,,c1cc(ccc1CC(=O)O)O,
,,,4HP:A:551,valid,,,,,c1cc(ccc1CC(=O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YYI,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YYL,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YYM,,,,,,,
,,,4HP:A:550,valid,,,,,c1cc(ccc1CC(=O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3CB0,,,,,,,
,,,FMN:A:200,valid,Kd,=,648,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:300,valid,Kd,=,648,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.4.1.230,,,,,,,,,
,Family. Representative Entry is ,3WIR,,,,,,,
,,,GOL:D:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:806,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:807,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC:C:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
1.1.1.77,,,,,,,,,
,Family. Representative Entry is ,1RRM,,,,,,,
,,,APR:A:389,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:389,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,FE2:A:388,Part of Protein,,,,,[Fe+2],
,,,FE2:B:388,Part of Protein,,,,,[Fe+2],
,,,PGO:A:390,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:390,invalid,,,,,C[C@@H](CO)O,
,,,ZN:A:387,Part of Protein,,,,,[Zn+2],
,,,ZN:B:387,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5BR4,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
2.1.3.6,,,,,,,,,
,Family. Representative Entry is ,4A8H,,,,,,,
,,,EDO:A:1344,invalid,,,,,C(CO)O,
,,,EDO:A:1345,invalid,,,,,C(CO)O,
,,,EDO:B:1344,invalid,,,,,C(CO)O,
,,,NI:A:1346,Part of Protein,,,,,[Ni+2],
,,,NI:B:1345,Part of Protein,,,,,[Ni+2],
,,,PUW:A:1341,valid,,,,,C(CCNC(=O)CP(=O)(O)O)CN,
,,,PUW:B:1341,valid,,,,,C(CCNC(=O)CP(=O)(O)O)CN,
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1342,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1342,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4A8P,,,,,,,
,,,NI:A:1341,Part of Protein,,,,,[Ni+2],
,,,NI:D:1341,Part of Protein,,,,,[Ni+2],
,,,PAO:A:1340,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PAO:B:1340,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PAO:C:1340,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PAO:D:1340,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PAO:E:1338,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PAO:F:1340,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,TRS:B:1341,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1341,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,4A8T,,,,,,,
,,,NI:A:1319,Part of Protein,,,,,[Ni+2],
,,,PAO:A:1318,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,,PGE:A:1320,invalid,,,,,C(COCCOCCO)O,
2.4.2.14,,,,,,,,,
,Family. Representative Entry is ,6CZF,,,,,,,
,,,MG:D:501,invalid,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,G4P:D:502,valid,Kd,=,1.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:A:502,valid,Kd,=,1.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,1ECJ,,,,,,,
,,,AMP:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1ECC,,,,,,,
,,,MN:A:2376,Part of Protein,,,,,[Mn+2],
,,,MN:A:506,Part of Protein,,,,,[Mn+2],
,,,MN:B:1449,Part of Protein,,,,,[Mn+2],
,,,MN:B:2449,Part of Protein,,,,,[Mn+2],
,,,MN:B:506,Part of Protein,,,,,[Mn+2],
,,,ONL:A:2377,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:B:2450,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,PCP:A:505,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:B:505,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
2.7.12.2,,,,,,,,,
,Family. Representative Entry is ,6YZ4,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,DMS:A:513,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,1E8:A:514,valid,,,,,C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,
,,6YG5,,,,,,,
,,,IHH:A:501,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5,
,,6YG4,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SU9:A:507,valid,,,,,COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2,
,,6YG2,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,8E8:A:514,valid,,,,,CCC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,
,,,1E8:A:513,valid,,,,,C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,
,Family. Representative Entry is ,6X2P,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6X2S,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3SLS,,,,,,,
,,,77D:A:500,valid,,,,,CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C,
,,,77D:B:500,valid,,,,,CC1(Cc2c(c(sc2C(=O)NC1)Nc3ccc(cc3F)I)C(=O)N[C@@H]4CCCNC4)C,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3ALN,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3E8N,,,,,,,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,VRA:A:1001,valid,ic50,=,19,nM,COc1cc(c(c(c1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)Nc3ccc(cc3F)I)F)F,
,,3ZLY,,,,,,,
,,,NA:A:1384,Part of Protein,,,,,[Na+],
,,,YSO:A:1383,valid,ic50,=,300,uM,c1cc(c2c(c1)[nH]nc2N)C#N,
,,3ZLS,,,,,,,
,,,92P:A:1383,valid,ic50,=,39.4,uM,COC(=O)c1c[nH]c2c1cccn2,
,,,NA:A:1384,Part of Protein,,,,,[Na+],
,,3ZLW,,,,,,,
,,,MT8:A:1383,valid,ic50,=,198,uM,C[C@]1(CCN2c3c1cccc3CCC2=O)O,
,,3ZLX,,,,,,,
,,,5EZ:A:1383,valid,ic50,=,157,uM,c1c2c(cc(c1OC[C@@H]3CCNC3)Cl)C(=O)NC=C2,
,,1S9J,,,,,,,
,,,ATP:A:535,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BBM:A:1001,valid,,,,,c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O,
,,,MG:A:536,Part of Protein,,,,,[Mg+2],
,,3EQH,,,,,,,
,,,5BM:A:1,valid,,,,,c1ccc(c(c1)N)S/C(=C(C#N)/C(=C(N)Sc2ccccc2N)C#N)/N,
,,,ADP:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,,3EQG,,,,,,,
,,,4BM:A:1,valid,,,,,c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O,
,,,ADP:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:5,invalid,,,,,[Ca+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,,3ZM4,,,,,,,
,,,22T:A:1383,valid,ic50,=,1.1,uM,c1c2c(cc(c1O[C@H]3CCNC3)Cl)C(=O)NC=C2,
,,3DV3,,,,,,,
,,,ATP:A:9000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:9003,invalid,,,,,C(C(CO)O)O,
,,,MEK:A:9001,valid,,,,,c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)COCCO)C(=O)NOCCO,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,3EQD,,,,,,,
,,,AGS:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,,3EQC,,,,,,,
,,,3BM:A:1,valid,,,,,c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)NOC[C@@H](CO)O,
,,,AGS:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,,3EQI,,,,,,,
,,,ADP:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6X2X,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
2.3.1.5,,,,,,,,,
,Family. Representative Entry is ,4NV7,,,,,,,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3LTW,,,,,,,
,,,FMT:A:281,invalid,,,,,C(=O)O,
,,,FMT:A:282,invalid,,,,,C(=O)O,
,,,FMT:A:999,invalid,,,,,C(=O)O,
,,,HLZ:A:300,valid,,,,,c1ccc2c(c1)cnnc2NN,
,,,HLZ:A:302,valid,,,,,c1ccc2c(c1)cnnc2NN,
,Family. Representative Entry is ,1W6F,,,,,,,
,,,ISZ:A:1276,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:B:1276,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:C:1276,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
,,,ISZ:D:1276,valid,,,,,[H]/N=N/C(=O)c1ccncc1,
2.7.1.-,,,,,,,,,
,Family. Representative Entry is ,2A19,,,,,,,
,,,ANP:B:1640,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:2640,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:1641,Part of Protein,,,,,[Mg+2],
,,,MG:B:1642,Part of Protein,,,,,[Mg+2],
,,,MG:C:2641,Part of Protein,,,,,[Mg+2],
,,,MG:C:2642,Part of Protein,,,,,[Mg+2],
,,,PO4:C:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2A2C,,,,,,,
,,,ADP:A:463,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:461,invalid,,,,,[Cl-],
,,,MG:A:460,Part of Protein,,,,,[Mg+2],
,,,NA:A:462,Part of Protein,,,,,[Na+],
,,,NG1:A:459,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,2A2D,,,,,,,
,,,A2G:A:459,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ANP:A:461,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:460,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1UNQ,,,,,,,
,,,4IP:A:1117,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,1H10,,,,,,,
,,,4IP:A:1118,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,2UVM,,,,,,,
,,,GVF:A:1116,valid,,,,,c1cc(c(c(c1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,NA:A:1117,invalid,,,,,[Na+],
,,2UZS,,,,,,,
,,,4IP:A:1118,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1GUA,,,,,,,
,,,CA:B:132,Part of Protein,,,,,[Ca+2],
,,,GNP:A:170,valid,Kd,=,40,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,3KUC,,,,,,,
,,,CA:B:172,Part of Protein,,,,,[Ca+2],
,,,GDP:A:170,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,1C1Y,,,,,,,
,,,CA:B:173,Part of Protein,,,,,[Ca+2],
,,,GTP:A:170,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2YAK,,,,,,,
,,,OSV:A:1279,valid,ic50,=,2,nM,CC(C)Oc1ccc2c(c1)C3=C4C(C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)NC#S)F)C(=O)NC4=O,
,,1JKL,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3F5G,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:296,Part of Protein,,,,,[Mg+2],
,,5AUZ,,,,,,,
,,,GEN:A:400,valid,ic50,=,98,uM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,1P4F,,,,,,,
,,,DRG:A:295,valid,,,,,c1ccc-2c(c1)CCc3c2nnc(c3)N,
,,4TXC,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,38G:A:301,valid,Kd,=,0.24,uM,CN(C)CCN[C@@H](c1cccc(c1)c2cnc3n2nc(cc3)c4ccc(c(c4)OC)O)O,
,,5AUY,,,,,,,
,,,MRI:A:300,valid,ic50,=,1.6,uM,c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,3EH9,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IG1,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:3510,Part of Protein,,,,,[Mn+2],
,,5AUW,,,,,,,
,,,QUE:A:400,valid,ic50,=,8.9,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,5AV2,,,,,,,
,,,BR:A:307,invalid,,,,,[Br-],
,,,BR:A:303,invalid,,,,,[Br-],
,,,BR:A:301,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,BR:A:306,invalid,,,,,[Br-],
,,,BR:A:304,invalid,,,,,[Br-],
,,,BR:A:305,invalid,,,,,[Br-],
,,,KMP:A:300,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,5AUU,,,,,,,
,,,LU2:A:400,valid,ic50,=,21,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,3EHA,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5AV3,,,,,,,
,,,IOD:A:301,invalid,,,,,[I-],
,,,IOD:A:309,invalid,,,,,[I-],
,,,IOD:A:307,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:306,invalid,,,,,[I-],
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:A:305,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:A:308,invalid,,,,,[I-],
,,,KMP:A:300,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,5AUT,,,,,,,
,,,2AN:A:301,valid,Kd,=,6.7,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,5AV0,,,,,,,
,,,47X:A:300,valid,ic50,=,280,uM,c1cc(c(cc1C2=COc3cc(ccc3C2=O)O)O)O,
,,1JKK,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,3F5U,,,,,,,
,,,ANP:A:296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:297,Part of Protein,,,,,[Mg+2],
,,,SO4:A:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AV4,,,,,,,
,,,BR:A:404,invalid,,,,,[Br-],
,,,BR:A:403,invalid,,,,,[Br-],
,,,BR:A:402,invalid,,,,,[Br-],
,,,BR:A:401,invalid,,,,,[Br-],
,,,GEN:A:400,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,5AUX,,,,,,,
,,,KMP:A:400,valid,ic50,=,10,uM,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,,5AUV,,,,,,,
,,,AGI:A:400,valid,ic50,=,31,uM,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2JDR,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,L20:A:1480,valid,ic50,=,0.5,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N,
,,1O6L,,,,,,,
,,,ANP:A:1480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,MN:A:1481,Part of Protein,,,,,[Mn+2],
,,,MN:A:1482,Part of Protein,,,,,[Mn+2],
,,2JDO,,,,,,,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,I5S:A:1480,valid,ic50,=,0.23,uM,c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl,
,,1O6K,,,,,,,
,,,ANP:A:1480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,MN:A:1481,Part of Protein,,,,,[Mn+2],
,,,MN:A:1482,Part of Protein,,,,,[Mn+2],
,,3E88,,,,,,,
,,,G96:A:1,valid,Ki,=,2,nM,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:B:1,valid,Ki,=,2,nM,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:D:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,2UW9,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,GVP:A:1480,valid,,,,,c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl,
,,3D0E,,,,,,,
,,,G93:A:1,valid,ic50,=,13,nM,CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4,
,,,G93:B:2,valid,ic50,=,13,nM,CCn1c2c(cnc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@H]4CCCNC4,
,,2X39,,,,,,,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,X39:A:1480,valid,ic50,=,2.2,nM,c1cc(ccc1CNC(=O)C2(CCN(CC2)c3c4cc[nH]c4ncn3)N)Cl,
,,3E87,,,,,,,
,,,G95:A:1,valid,,,,,c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4,
,,,G95:B:1,valid,,,,,c1ccc(cc1)[C@@H](CN)NC(=O)c2ccc(s2)c3ccnc4c3cc[nH]4,
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,,,GLY ARG PRO ARG THR THR SER PHE ALA GLU:D:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N)C(O)C)C(O)C)CO)Cc1ccccc1)C)CCC(=O)[O-],
,Family. Representative Entry is ,3A4M,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:261,invalid,,,,,C(CO)O,
,,,EDO:B:261,invalid,,,,,C(CO)O,
,,,EDO:B:262,invalid,,,,,C(CO)O,
,,,EDO:B:263,invalid,,,,,C(CO)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,3A4L,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:261,invalid,,,,,C(CO)O,
,,,EDO:A:262,invalid,,,,,C(CO)O,
,,,EDO:B:261,invalid,,,,,C(CO)O,
,,,EDO:B:262,invalid,,,,,C(CO)O,
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6E3A,,,,,,,
,,,HQG:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N,
,,,COA:A:201,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2QG6,,,,,,,
,,,NMN:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QT0,,,,,,,
,,,ANP:A:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,NNR:A:1103,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,
,,2P0E,,,,,,,
,,,CL:A:251,invalid,,,,,[Cl-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TIZ:A:201,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,
,,,UNX:A:252,invalid,,,,,*,
,,2QSY,,,,,,,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,UNX:A:1103,invalid,,,,,*,
,,,UNX:A:1104,invalid,,,,,*,
,,,UNX:A:1105,invalid,,,,,*,
,,,UNX:A:1106,invalid,,,,,*,
,,,UNX:A:1107,invalid,,,,,*,
,,2QSZ,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NMN:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UNX:A:1001,invalid,,,,,*,
,,,UNX:A:1002,invalid,,,,,*,
,,,UNX:A:1003,invalid,,,,,*,
,,,UNX:A:1004,invalid,,,,,*,
,,,UNX:A:1005,invalid,,,,,*,
,,,UNX:A:1006,invalid,,,,,*,
,,,UNX:A:1007,invalid,,,,,*,
,Family. Representative Entry is ,4O6W,,,,,,,
,,,ACE PRO LEU 2SO SER TPO NH2:C:1,valid,Kd,=,3,nM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CC(C)C)Cc1n(CCCCCCCCc2ccccc2)c[n+](C)c1)CO)C(=O)[NH3+])C)([O-])[O-],
,,1Q4K,,,,,,,
,,,MET GLN SER TPO PRO LEU:D:1,valid,Kd,=,280,nM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(C)C)CCC1)C(OP(=O)([O-])[O-])C)CO)CCC(=O)N)C,
,,,MET GLN SER TPO PRO LEU:E:1,valid,Kd,=,280,nM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(C)C)CCC1)C(OP(=O)([O-])[O-])C)CO)CCC(=O)N)C,
,,,MET GLN SER TPO PRO LEU:F:1,valid,Kd,=,280,nM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(C)C)CCC1)C(OP(=O)([O-])[O-])C)CO)CCC(=O)N)C,
,,3HIK,,,,,,,
,,,ACE PRO LEU HIS SER TPO:B:0,valid,Kd,=,0.445,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(=O)[O-])C)([O-])[O-],
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,4X9V,,,,,,,
,,,4KY LEU 56A SER TPO NH2:B:1,valid,ic50,=,0.014,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C1NC(=O)C(CC(C)C)NC(=O)C2N(C(=O)C)CC(OCCCCCCCCn3c[n+](CCCCCCCCc4ccccc4)c(c3)C1)C2)CO)C(=O)[NH3+])C)([O-])[O-],
,,3FVH,,,,,,,
,,,ACE LEU HIS SER TPO ALA NH2:B:1,valid,Kd,=,0.447,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc1nc[nH]c1)CO)C(=O)NC(C(=O)[NH3+])C)C)([O-])[O-],
,,5DNJ,,,,,,,
,,,707 56A SER TPO NH2:B:1,valid,,,,,Brc1c(OC)ccc(C(=O)NCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(OP(=O)([O-])[O-])C)CO)Cc2n(CCCCCCCCc3ccccc3)cnc2)c1,
,,1UMW,,,,,,,
,,,PRO MET GLN SER TPO PRO LEU:E:1,valid,Kd,=,280,nM,S(CCC(NC(=O)C1[NH2+]CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(C)C)CCC1)C(OP(=O)([O-])[O-])C)CO)CCC(=O)N)C,
,,,PRO MET GLN SER TPO PRO LEU:F:1,valid,Kd,=,280,nM,S(CCC(NC(=O)C1[NH2+]CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(C)C)CCC1)C(OP(=O)([O-])[O-])C)CO)CCC(=O)N)C,
,,4RCP,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,ACE 56A SER TPO NH2:B:1,valid,ic50,=,4.42,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1n(CCCCCCCCc2ccccc2)cnc1)CO)C(=O)[NH3+])C)([O-])[O-],
,,4LKL,,,,,,,
,,,ACE PRO LEU HIS SER TPO MET NH2 ADM:B:2,valid,ic50,=,0.82,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CC23CC4CC(C2)CC(C3)C4)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(OP(=O)([O-])[O-])C)C(=O)[NH3+])C,
,,4LKM,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5PV ACE PRO LEU HIS SER TPO MET NH2 LYT:B:101,valid,ic50,=,0.46,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CCCCCNC(=O)CCCCC2CCCCC2)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(OP(=O)([O-])[O-])C)C(=O)[NH3+])C,
,,,ACE PRO LEU HIS SER TPO MET NH2:D:0,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(OP(=O)([O-])[O-])C)C(=O)[NH3+])C,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,3C5L,,,,,,,
,,,PRO PRO HIS SER TPO:B:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)Cc1nc[nH]c1)CO)C(=O)[O-])C)([O-])[O-],
,,4E67,,,,,,,
,,,HCI PRO LEU HIS SER TPO ALA NH2:B:0,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CCc2ccccc2)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(=O)NC(C(=O)[NH3+])C)C)([O-])[O-],
,,3P2Z,,,,,,,
,,,ACE PRO LEU HIS SER TPO ALA NH2:B:73,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(=O)NC(C(=O)[NH3+])C)C)([O-])[O-],
,,,GOL:A:595,invalid,,,,,C(C(CO)O)O,
,,4WHK,,,,,,,
,,,YAC 56A SER TPO NH2:B:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)CCC=CC(=O)c1ccccc1)Cc1n(CCCCCCCCc2ccccc2)cnc1)CO)C(=O)[NH3+])C)([O-])[O-],
,,4X9W,,,,,,,
,,,LEU 3ZH SER TPO NH2:B:1,valid,ic50,=,0.14,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C1NC(=O)C(CC(C)C)NC(=O)CCCCCCCCCC[n+]2cn(CCCCCCCCc3ccccc3)c(c2)C1)CO)C(=O)[NH3+])C)([O-])[O-],
,,4WHH,,,,,,,
,,,QAC 56A SER TPO NH2:B:1,valid,ic50,=,0.04,uM,P(=O)(OC(C(NC(=O)C(NC(O)C(NC(=O)CCNC(=O)c1ccc(CO)cc1)Cc1n(CCCCCCCCc2ccccc2)cnc1)CO)C(=O)[NH3+])C)([O-])[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DFW,,,,,,,
,,,ACE 0LF LEU HIS SER TPO NH2:D:1,valid,ic50,=,0.014,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CC(OCCCCc2ccccc2)C1)CC(C)C)Cc1nc[nH]c1)CO)C(=O)[NH3+])C)([O-])[O-],
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,3RQ7,,,,,,,
,,,ACE PRO LEU 56A SER TPO NH2:B:1,valid,ic50,=,0.017,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CC(C)C)Cc1n(CCCCCCCCc2ccccc2)cnc1)CO)C(=O)[NH3+])C)([O-])[O-],
,,5DMS,,,,,,,
,,,PHE SER GLN HIS LYS THR SER TPO ILE:B:173,valid,Kd,=,29.58,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CO)CCC(=O)N)Cc1nc[nH]c1)CCCC[NH3+])C(O)C)CO)C(=O)NC(C=O)C(CC)C)C)([O-])[O-],
,,,PHE SER GLN HIS LYS THR SER TPO ILE:D:169,valid,Kd,=,29.58,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CO)CCC(=O)N)Cc1nc[nH]c1)CCCC[NH3+])C(O)C)CO)C(=O)NC(C=O)C(CC)C)C)([O-])[O-],
,,3P36,,,,,,,
,,,ACE ASP PRO PRO LEU HIS SER TPO ALA NH2:B:73,valid,Kd,=,2.14,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(=O)NC(C(=O)[NH3+])C)C)([O-])[O-],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:595,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4X9R,,,,,,,
,,,4L0 LEU 56A SER TPO NH2:B:1,valid,ic50,=,0.015,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C1NC(=O)C(CC(C)C)NC(=O)C2N(C(=O)C)CC(OCCCCCCn3c[n+](CCCCCCCCc4ccccc4)c(c3)C1)C2)CO)C(=O)[NH3+])C)([O-])[O-],
,,3P35,,,,,,,
,,,ACE MET GLN SER SEP PRO LEU NH2:D:0,valid,,,,,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[NH3+])CC(C)C)CCC1)COP(=O)([O-])[O-])CO)CCC(=O)N)C,
,,,ACE MET GLN SER SEP PRO LEU NH2:E:0,valid,,,,,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[NH3+])CC(C)C)CCC1)COP(=O)([O-])[O-])CO)CCC(=O)N)C,
,,,GOL:A:595,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:596,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:595,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:596,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:597,invalid,,,,,C(C(CO)O)O,
,,4HY2,,,,,,,
,,,1C3 LEU HIS SER TPO MET NH2:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH+](CC2=CC(OC)C(OC)C(OC)C2)CCC1)CC(C)C)Cc1nc[nH]c1)CO)C(OP(=O)([O-])[O-])C)C(=O)[NH3+])C,
,,6AX4,,,,,,,
,,,N7P LEU 56A SER TPO AML:C:1,valid,,,,,P(=O)(OC(C)C1C(=O)NCCCCCn2c[n+](CCCCCCCCc3ccccc3)c(c2)CC(NC(=O)C(NC(=O)C2N(C(=O)C)CCC2)CC(C)C)C(=O)NC(CO)C(=O)N1)([O-])[O-],
,,3BZI,,,,,,,
,,,FMT:A:1,invalid,,,,,C(=O)O,
,,,LEU LEU CYS SER TPO PRO ASN GLY LEU:E:1,valid,Kd,=,1.8,uM,SCC(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CC(=O)N)CCC1)C(OP(=O)([O-])[O-])C)CO,
,Family. Representative Entry is ,6EDE,,,,,,,
,,,HQG:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N,
,Family. Representative Entry is ,1PTR,,,,,,,
,,,PRB:A:3,valid,,,,,C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2CSN,,,,,,,
,,,CKI:A:300,valid,Ki,=,39,uM,c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CSN,,,,,,,
,,,ATP:A:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Q8Y,,,,,,,
,,,ADE:B:900,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADP:A:810,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:809,Part of Protein,,,,,[Mg+2],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Q99,,,,,,,
,,,ANP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:1440,invalid,,,,,C(CO)O,
,,,EDO:B:1439,invalid,,,,,C(CO)O,
,,,MOH:A:2001,invalid,,,,,CO,
,,,MOH:B:2000,invalid,,,,,CO,
,,,NI:A:362,Part of Protein,,,,,[Ni+2],
,,,NI:B:363,Part of Protein,,,,,[Ni+2],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JD5,,,,,,,
,,,ARG GLU ARG SER PRO THR ARG:C:654,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CO)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)CCC(=O)[O-],
,,,MG:A:1739,Part of Protein,,,,,[Mg+2],
,,,MG:B:1739,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1740,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1738,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Q97,,,,,,,
,,,ADN:B:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ATP:A:485,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:743,invalid,,,,,[Mg+2],
,,,MG:A:744,invalid,,,,,[Mg+2],
,,,NI:B:743,Part of Protein,,,,,[Ni+2],
,,,SO4:A:745,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:744,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5GZ9,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MAN:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
2.4.1.227,,,,,,,,,
,Family. Representative Entry is ,3S2U,,,,,,,
,,,UD1:A:366,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
1.1.1.237,,,,,,,,,
,Family. Representative Entry is ,3BAZ,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.1.1.102,,,,,,,,,
,Family. Representative Entry is ,6QZ3,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,BEZ:A:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,6QGA,,,,,,,
,,,J1K:E:703,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:C:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:E:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:E:702,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:B:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:D:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:F:702,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:F:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:C:702,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,J1K:A:701,valid,,,,,c1cc(ccc1C(=O)NCCO)C(=O)O,
,,,CL:E:706,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,CL:C:704,invalid,,,,,[Cl-],
,,,CL:B:707,invalid,,,,,[Cl-],
,,,CA:E:705,Part of Protein,,,,,[Ca+2],
,,,CA:F:706,Part of Protein,,,,,[Ca+2],
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,CA:B:706,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MPD:A:705,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:705,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6QGB,,,,,,,
,,,CL:B:804,invalid,,,,,[Cl-],
,,,CL:D:703,invalid,,,,,[Cl-],
,,,CL:C:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:F:704,invalid,,,,,[Cl-],
,,,CL:E:703,invalid,,,,,[Cl-],
,,,CL:F:703,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:F:702,Part of Protein,,,,,[Ca+2],
,,,CA:E:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,BEZ:E:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:802,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:F:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:701,valid,,,,,c1ccc(cc1)C(=O)O,
,,,MPD:B:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6QZ1,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,BEZ:A:701,valid,,,,,c1ccc(cc1)C(=O)O,
1.18.1.2,,,,,,,,,
,Family. Representative Entry is ,5VW2,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,NAP:A:404,valid,Kd,<,0.02,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FDA:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1JB9,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5VW9,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,NCA:A:403,valid,,,,,c1cc(cnc1)C(=O)N,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5VW8,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,FAD:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:402,valid,Kd,<,0.02,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5H59,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5VW3,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:403,valid,Kd,<,0.02,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5VW6,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3LO8,,,,,,,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1800,invalid,,,,,[Na+],
,,5VWA,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3LVB,,,,,,,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5VW4,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,NCA:A:403,valid,,,,,c1cc(cnc1)C(=O)N,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5VW7,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FDA:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5VWB,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5VW5,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,NCA:A:403,valid,,,,,c1cc(cnc1)C(=O)N,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3LZW,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,,NA:A:3002,Part of Protein,,,,,[Na+],
,,,NAP:A:2000,valid,Kd,=,14,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3LZX,,,,,,,
,,,FAD:A:1000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,,NA:B:3002,Part of Protein,,,,,[Na+],
,,,NAP:A:2000,valid,Kd,=,14,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2001,valid,Kd,=,14,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5TWB,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5TWC,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2RC5,,,,,,,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:317,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1QFY,,,,,,,
,,,FAD:A:309,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:809,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:310,valid,Kd,<,0.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:810,valid,Kd,<,0.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QFZ,,,,,,,
,,,FAD:A:309,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:809,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:810,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QGA,,,,,,,
,,,FAD:A:309,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:809,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:310,valid,Kd,=,5.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:810,valid,Kd,=,5.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QG0,,,,,,,
,,,FAD:A:309,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1309,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6GAS,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:B:1002,Part of Protein,,,,,[Na+],
,,,NA:C:1002,Part of Protein,,,,,[Na+],
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,NA:D:1002,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2BSA,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1305,valid,Kd,<,0.01,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1E63,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H42,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E62,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H85,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X3U,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B2R,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GO2,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QUE,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C43,,,,,,,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1306,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E64,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZC3,,,,,,,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1GR1,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QGY,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QGZ,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZBT,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W34,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VZL,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:305,valid,Kd,=,550,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1QH0,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BQE,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OGJ,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BJK,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OGI,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W35,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BPR,,,,,,,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,1GJR,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BMW,,,,,,,
,,,FAD:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VYQ,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZBU,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1307,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QUF,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3JQQ,,,,,,,
,,,A2P:A:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:B:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:C:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:D:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:E:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:F:416,valid,Ki,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2OK8,,,,,,,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FLC:A:9002,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:9001,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,3JQR,,,,,,,
,,,FAD:A:415,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2VNI,,,,,,,
,,,A2P:A:274,valid,Kd,=,204,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,FAD:A:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTG:A:275,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4K1X,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VNK,,,,,,,
,,,FAD:A:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BGJ,,,,,,,
,,,FAD:A:1273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2VNJ,,,,,,,
,,,FAD:A:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTG:A:275,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAP:A:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2VNH,,,,,,,
,,,FAD:A:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTG:A:275,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAP:A:274,valid,Kd,=,222,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2BGI,,,,,,,
,,,CO2:A:1278,invalid,,,,,C(=O)=O,
,,,CO2:A:1279,invalid,,,,,C(=O)=O,
,,,FAD:A:1273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HTG:A:1274,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HTG:A:1275,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HTG:A:1277,invalid,,,,,CCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6RRA,,,,,,,
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6RR3,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2XNJ,,,,,,,
,,,FAD:A:1257,valid,Kd,=,1.1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1257,valid,Kd,=,1.1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,NA:B:1268,invalid,,,,,[Na+],
,,,NAP:A:1258,valid,Kd,=,7.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1258,valid,Kd,=,7.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TRS:A:1259,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1259,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1266,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1266,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1267,Part of Protein,,,,,[Zn+2],
,,1FDR,,,,,,,
,,,FAD:A:249,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1GAW,,,,,,,
,,,FAD:A:320,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:321,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4B4D,,,,,,,
,,,FAD:A:1260,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:1261,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3AB1,,,,,,,
,,,FAD:A:361,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:361,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6GAR,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXM:A:403,invalid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,invalid,,,,,C(=O)(C(=O)O)N,
,,,TLA:A:402,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2YVJ,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:P:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NAI:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:P:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1EWY,,,,,,,
,,,FAD:A:304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:C:99,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,1FND,,,,,,,
,,,A2P:A:316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FNB,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BX1,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FRN,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FNC,,,,,,,
,,,A2P:A:316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,FDA:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FRQ,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BX0,,,,,,,
,,,FAD:A:315,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SM4,,,,,,,
,,,FAD:A:364,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1364,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1363,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2C7G,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ODP:A:502,valid,Kd,=,16,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1LQT,,,,,,,
,,,ACT:A:1866,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1869,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1870,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1871,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1872,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1867,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1868,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1873,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1874,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1875,invalid,,,,,CC(=O)[O-],
,,,ACT ODP:B:1876,invalid,,,,,,
,,,FAD:A:2457,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3457,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ODP:A:2458,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC(C(=O)C=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1LQU,,,,,,,
,,,ACT:A:1423,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1426,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1427,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1428,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1429,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1424,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1425,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1430,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1431,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1432,invalid,,,,,CC(=O)[O-],
,,,ACT NDP:B:1433,invalid,,,,,,
,,,FAD:A:1457,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2457,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:A:1458,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3VO1,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3VO2,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1E6E,,,,,,,
,,,FAD:A:461,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:461,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:129,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:129,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3MHP,,,,,,,
,,,FAD:A:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:999,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5H5J,,,,,,,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:101,Part of Protein,,,,,S1[Fe]S[Fe]1,
3.2.1.8,,,,,,,,,
,Family. Representative Entry is ,2W5F,,,,,,,
,,,ACT:A:1553,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1555,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1556,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1557,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1552,invalid,,,,,CC(=O)[O-],
,,,ACT CD:A:1552,invalid,,,,,,
,,,ACT CD:A:1554,invalid,,,,,,
,,,ACT CD:B:1553,invalid,,,,,,
,,,ACT CD:B:1554,invalid,,,,,,
,,,CD:A:1559,invalid,,,,,[Cd+2],
,,,CD:A:1561,invalid,,,,,[Cd+2],
,,,CD:A:1562,invalid,,,,,[Cd+2],
,,,CD:A:1563,invalid,,,,,[Cd+2],
,,,CD:A:1564,invalid,,,,,[Cd+2],
,,,CD:A:1565,invalid,,,,,[Cd+2],
,,,CD:B:1556,invalid,,,,,[Cd+2],
,,,CD:B:1558,invalid,,,,,[Cd+2],
,,,CD:B:1559,invalid,,,,,[Cd+2],
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,1V0L,,,,,,,
,,,XIF XYP:A:1304,valid,Ki,=,480,nM,,
,,1V0M,,,,,,,
,,,IMD:A:1305,invalid,,,,,c1c[nH+]c[nH]1,
,,,XDN XYP:A:1303,valid,,,,,,
,,1V0N,,,,,,,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,IMD:A:1307,invalid,,,,,c1c[nH+]c[nH]1,
,,,XIF XYP:A:1305,valid,,,,,,
,,1V0K,,,,,,,
,,,XYP XDN:A:1303,valid,Ki,=,40,uM,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)C[NH2+]C1,
,,1OD8,,,,,,,
,,,IMD:A:1308,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1309,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:1303,Part of Protein,,,,,[Na+],
,,,NA:A:1304,Part of Protein,,,,,[Na+],
,,,NA:A:1305,Part of Protein,,,,,[Na+],
,,,NA:A:1312,Part of Protein,,,,,[Na+],
,,,XDL XYP:A:1306,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)CO2)CCN1,
,,,XDL XYP:A:1310,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)CO2)CCN1,
,Family. Representative Entry is ,3W25,,,,,,,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,3W27,,,,,,,
,,,XYS XYP:B:1,valid,,,,,,
,,3W26,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,3W29,,,,,,,
,,,XYS XYP XYP XYP:B:1,valid,,,,,,
,,3W28,,,,,,,
,,,XYS XYP XYP:B:1,valid,,,,,,
,Family. Representative Entry is ,6JWB,,,,,,,
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:208,invalid,,,,,[I-],
,,,IOD:A:206,invalid,,,,,[I-],
,,,MES:A:204,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,3LGR,,,,,,,
,,,EU:A:201,invalid,,,,,[Eu+2],
,,,EU:A:202,invalid,,,,,[Eu+2],
,,,EU:A:203,invalid,,,,,[Eu+2],
,,,PDC:A:302,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:303,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:304,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,4HK9,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,6K9R,,,,,,,
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:206,invalid,,,,,[I-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,4HK8,,,,,,,
,,,XYP XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:212,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4HKW,,,,,,,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,XYS XYP XYP:B:1,valid,,,,,,
,,,XYP TRS XYP:C:1,valid,,,,,O(CC([NH3+])(CO)CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1,
,,6KWD,,,,,,,
,,,IOD:A:202,invalid,,,,,[I-],
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,6KWF,,,,,,,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:209,invalid,,,,,[I-],
,,,IOD:A:208,invalid,,,,,[I-],
,,,IOD:A:210,invalid,,,,,[I-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP:A:204,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,6KWG,,,,,,,
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:209,invalid,,,,,[I-],
,,,IOD:A:208,invalid,,,,,[I-],
,,,IOD:A:210,invalid,,,,,[I-],
,,,IOD:A:206,invalid,,,,,[I-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,6JXL,,,,,,,
,,,IOD:A:204,invalid,,,,,[I-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,1B3X,,,,,,,
,,,XYP:A:607,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,1B30,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,1B3V,,,,,,,
,,,XYP:A:523,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:524,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:526,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:A:525,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,1B3Y,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYS:A:560,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,1B3Z,,,,,,,
,,,XYP:A:658,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYS XYP:C:1,valid,,,,,,
,Family. Representative Entry is ,2VGD,,,,,,,
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1196,Part of Protein,,,,,[Na+],
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP FX3 XYP:B:1,valid,,,,,O=C(OCC1C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)OC3)OCC2OC2C(O)C(O)C(O)CO2)O1)C=Cc1cc(OC)c(O)cc1,
,Family. Representative Entry is ,1H12,,,,,,,
,,,XYP:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:A:502,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,2B4F,,,,,,,
,,,XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,,XYP XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,1XWQ,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,2D24,,,,,,,
,,,GOL:B:980,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:981,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:982,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:970,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:971,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYS XYS:G:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS XYS XYS:D:1,valid,,,,,,
,,,XYS XYS XYS XYS XYS:F:1,valid,,,,,,
,,,XYS XYS XYS XYS XYS:C:1,valid,,,,,,
,,1ISY,,,,,,,
,,,BGC:A:1461,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:1471,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:961,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:971,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1V6W,,,,,,,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:971,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP GCV:C:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(O)OC2)O1,
,,,XYP XYP GCV:D:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(O)OC2)O1,
,,1ISX,,,,,,,
,,,XYP:A:1461,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:F:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:G:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,1ISZ,,,,,,,
,,,GAL:A:461,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:471,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:961,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:971,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1V6U,,,,,,,
,,,XYP:A:1460,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:G:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYS:A:1461,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYP XYP AHR:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1O)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1O)C1C(O)C(O)C(CO)O1,
,,1V6X,,,,,,,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:971,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:F:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP GCV:G:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)O1,
,,,XYP XYP XYP GCV:C:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)O1,
,,,XYP XYP XYP GCV:E:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)O1,
,,1V6V,,,,,,,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:I:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:E:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP AHR XYP:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR XYP:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR XYP:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,2D23,,,,,,,
,,,GOL:A:1460,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1461,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1462,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:960,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:961,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:962,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:963,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:964,invalid,,,,,C(C(CO)O)O,
,,,XYS AZI XYS:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)C([N-][N+]#N)OC1,
,,,XYS AZI XYS:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)C([N-][N+]#N)OC1,
,,1IT0,,,,,,,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1ISW,,,,,,,
,,,XYP:A:1461,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1491,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:971,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:F:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:G:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,2D20,,,,,,,
,,,GOL:A:972,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:975,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:971,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:974,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:976,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:977,invalid,,,,,C(C(CO)O)O,
,,,NPO:B:953,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,XYS XYS:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS NPO XYS:C:1,valid,,,,,O=[N+]([O-])c1ccc(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)cc1,
,,1ISV,,,,,,,
,,,XYP:A:1461,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1471,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:1491,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:951,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:961,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:971,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3EMZ,,,,,,,
,,,HXH:A:1000,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)CN[C@@H]3C=C[C@H]([C@@H]([C@H]3O)O)O,
,Family. Representative Entry is ,3WUG,,,,,,,
,,,XYP:B:1,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:2,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:1,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:2,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,3WUE,,,,,,,
,,,XYP:B:1,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:2,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:1,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:2,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1JT2,,,,,,,
,,,FER:A:388,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,Family. Representative Entry is ,1OD3,,,,,,,
,,,ACY:A:1150,invalid,,,,,CC(=O)O,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:1153,Part of Protein,,,,,[Ca+2],
,,1NAE,,,,,,,
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,1O8S,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:1152,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5A6M,,,,,,,
,,,PO4:A:1391,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1390,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1389,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1388,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:1398,invalid,,,,,C(COCCO)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYS XYP XYP:B:1,valid,,,,,,
,,5A6L,,,,,,,
,,,PO4:A:1391,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1390,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1394,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1389,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1392,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1388,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1393,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:1399,invalid,,,,,C(COCCO)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,4UQA,,,,,,,
,,,HIS:A:1387,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,4UQC,,,,,,,
,,,TAR:A:1387,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,GLC:A:1389,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,TLA:A:1388,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4CKQ,,,,,,,
,,,MLA:A:1387,valid,,,,,C(C(=O)O)C(=O)O,
,,,HIS HIS HIS HIS:C:1,invalid,,,,,,
,Family. Representative Entry is ,1H4H,,,,,,,
,,,XYS XYP XYP:H:1,valid,,,,,,
,,,XYS XYP XYP:E:1,valid,,,,,,
,,,XYS XYP XYP:G:1,valid,,,,,,
,,,XYS XYP XYP:F:1,valid,,,,,,
,Family. Representative Entry is ,2FGL,,,,,,,
,,,LXC:B:708,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,XYS XYS:A:703,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS XYS:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)OC2)CO1)C1C(O)C(O)C(O)CO1,
,,,XYS XYS XYS:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)OC2)CO1)C1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1VBR,,,,,,,
,,,ACY:A:3,invalid,,,,,CC(=O)O,
,,,ACY:A:5,invalid,,,,,CC(=O)O,
,,,ACY:A:6,invalid,,,,,CC(=O)O,
,,,ACY:A:842,invalid,,,,,CC(=O)O,
,,,ACY:B:2,invalid,,,,,CC(=O)O,
,,,ACY:B:842,invalid,,,,,CC(=O)O,
,,,XYP XYS:C:1,valid,,,,,,
,,,XYP XYS:D:1,valid,,,,,,
,,3NJ3,,,,,,,
,,,ACT:A:342,invalid,,,,,CC(=O)[O-],
,,,ACT:B:342,invalid,,,,,CC(=O)[O-],
,,,SO4:A:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,1WB4,,,,,,,
,,,ACY:A:2089,invalid,,,,,CC(=O)O,
,,,ACY:B:2091,invalid,,,,,CC(=O)O,
,,,CD:A:2090,invalid,,,,,[Cd+2],
,,,CD:A:2091,invalid,,,,,[Cd+2],
,,,CD:A:2092,invalid,,,,,[Cd+2],
,,,CD:A:2093,invalid,,,,,[Cd+2],
,,,CD:A:2094,invalid,,,,,[Cd+2],
,,,CD:A:2095,invalid,,,,,[Cd+2],
,,,CD:A:2096,invalid,,,,,[Cd+2],
,,,CD:A:2097,invalid,,,,,[Cd+2],
,,,CD:A:2098,invalid,,,,,[Cd+2],
,,,CD:A:2099,invalid,,,,,[Cd+2],
,,,CD:B:2092,invalid,,,,,[Cd+2],
,,,CD:B:2093,invalid,,,,,[Cd+2],
,,,CD:B:2094,invalid,,,,,[Cd+2],
,,,CD:B:2095,invalid,,,,,[Cd+2],
,,,CD:B:2096,invalid,,,,,[Cd+2],
,,,CD:B:2097,invalid,,,,,[Cd+2],
,,,CD:B:2098,invalid,,,,,[Cd+2],
,,,CD:B:2099,invalid,,,,,[Cd+2],
,,,GOL:A:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2089,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2090,invalid,,,,,C(C(CO)O)O,
,,,SXX:A:2086,valid,,,,,COc1cc(cc(c1O)OC)C=CC(=O)O,
,,,SXX:B:2086,valid,,,,,COc1cc(cc(c1O)OC)C=CC(=O)O,
,,1GKL,,,,,,,
,,,ACT:A:3089,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3089,invalid,,,,,CC(=O)[O-],
,,,CD:A:3090,invalid,,,,,[Cd+2],
,,,CD:A:3091,invalid,,,,,[Cd+2],
,,,CD:A:3092,invalid,,,,,[Cd+2],
,,,CD:A:3093,invalid,,,,,[Cd+2],
,,,CD:A:3094,invalid,,,,,[Cd+2],
,,,CD:A:3095,invalid,,,,,[Cd+2],
,,,CD:B:3090,invalid,,,,,[Cd+2],
,,,CD:B:3091,invalid,,,,,[Cd+2],
,,,CD:B:3092,invalid,,,,,[Cd+2],
,,,CD:B:3093,invalid,,,,,[Cd+2],
,,,CD:B:3094,invalid,,,,,[Cd+2],
,,,CD:B:3095,invalid,,,,,[Cd+2],
,,,FER:A:3086,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:B:3086,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,GOL:A:3087,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3087,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3088,invalid,,,,,C(C(CO)O)O,
,,1WB5,,,,,,,
,,,ACT:A:2089,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2089,invalid,,,,,CC(=O)[O-],
,,,CD:A:2090,invalid,,,,,[Cd+2],
,,,CD:A:2091,invalid,,,,,[Cd+2],
,,,CD:A:2092,invalid,,,,,[Cd+2],
,,,CD:A:2093,invalid,,,,,[Cd+2],
,,,CD:A:2094,invalid,,,,,[Cd+2],
,,,CD:A:2095,invalid,,,,,[Cd+2],
,,,CD:A:2096,invalid,,,,,[Cd+2],
,,,CD:A:2097,invalid,,,,,[Cd+2],
,,,CD:A:2098,invalid,,,,,[Cd+2],
,,,CD:B:2090,invalid,,,,,[Cd+2],
,,,CD:B:2091,invalid,,,,,[Cd+2],
,,,CD:B:2092,invalid,,,,,[Cd+2],
,,,CD:B:2093,invalid,,,,,[Cd+2],
,,,CD:B:2094,invalid,,,,,[Cd+2],
,,,CD:B:2095,invalid,,,,,[Cd+2],
,,,CD:B:2096,invalid,,,,,[Cd+2],
,,,CD:B:2097,invalid,,,,,[Cd+2],
,,,GOL:A:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2088,invalid,,,,,C(C(CO)O)O,
,,,SYR:A:2086,valid,,,,,COc1cc(cc(c1O)OC)C(=O)OC,
,,,SYR:B:2086,valid,,,,,COc1cc(cc(c1O)OC)C(=O)OC,
,,1WB6,,,,,,,
,,,ACT:A:2090,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2091,invalid,,,,,CC(=O)[O-],
,,,CD:A:2091,invalid,,,,,[Cd+2],
,,,CD:A:2092,invalid,,,,,[Cd+2],
,,,CD:A:2093,invalid,,,,,[Cd+2],
,,,CD:A:2094,invalid,,,,,[Cd+2],
,,,CD:A:2095,invalid,,,,,[Cd+2],
,,,CD:A:2096,invalid,,,,,[Cd+2],
,,,CD:A:2097,invalid,,,,,[Cd+2],
,,,CD:A:2098,invalid,,,,,[Cd+2],
,,,CD:A:2099,invalid,,,,,[Cd+2],
,,,CD:A:2100,invalid,,,,,[Cd+2],
,,,CD:B:2092,invalid,,,,,[Cd+2],
,,,CD:B:2093,invalid,,,,,[Cd+2],
,,,CD:B:2094,invalid,,,,,[Cd+2],
,,,CD:B:2095,invalid,,,,,[Cd+2],
,,,CD:B:2096,invalid,,,,,[Cd+2],
,,,CD:B:2097,invalid,,,,,[Cd+2],
,,,CD:B:2098,invalid,,,,,[Cd+2],
,,,CD:B:2099,invalid,,,,,[Cd+2],
,,,CD:B:2100,invalid,,,,,[Cd+2],
,,,CD:B:2101,invalid,,,,,[Cd+2],
,,,GOL:A:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2088,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2089,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2087,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2088,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2089,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2090,invalid,,,,,C(C(CO)O)O,
,,,VXX:A:2086,valid,,,,,COc1cc(ccc1O)C(=O)OC,
,,,VXX:B:2086,valid,,,,,COc1cc(ccc1O)C(=O)OC,
,Family. Representative Entry is ,4XUR,,,,,,,
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,CA:C:1005,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP XYP:D:1,valid,Ka,=,1600,M^-1,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:F:1,valid,Ka,=,1600,M^-1,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP:E:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,4XUQ,,,,,,,
,,,XYP XYP:C:401,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:B:401,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2WZE,,,,,,,
,,,CA:A:1552,Part of Protein,,,,,[Ca+2],
,,,CA:B:1552,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1556,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1557,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1559,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1556,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1557,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1559,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1561,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1562,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1562,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,5TZO,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,7V7:A:202,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,7V7:C:202,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,7V7:A:201,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,7V7:C:201,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,7V7:B:202,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,7V7:B:201,valid,Kd,=,5.9,uM,CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3,
,,,K:B:204,Part of Protein,,,,,[K+],
,,,K:A:204,Part of Protein,,,,,[K+],
,,,K:A:203,Part of Protein,,,,,[K+],
,,1BCX,,,,,,,
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,2QZ3,,,,,,,
,,,ACY:A:1022,invalid,,,,,CC(=O)O,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:F:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:E:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYP XYP XYP:D:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,Family. Representative Entry is ,1KNM,,,,,,,
,,,GOL:A:131,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1MC9,,,,,,,
,,,GOL:A:136,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:130,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,Family. Representative Entry is ,6SGF,,,,,,,
,,,CD:C:207,invalid,,,,,[Cd+2],
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:E:205,invalid,,,,,[Cd+2],
,,,CD:B:206,invalid,,,,,[Cd+2],
,,,CD:C:205,invalid,,,,,[Cd+2],
,,,CD:A:207,invalid,,,,,[Cd+2],
,,,CD:C:206,invalid,,,,,[Cd+2],
,,,CD:B:205,invalid,,,,,[Cd+2],
,,,CD:D:205,invalid,,,,,[Cd+2],
,,,CD:A:206,invalid,,,,,[Cd+2],
,,,XYP XYP XYP XYP:L:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:J:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:I:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:H:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:K:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:G:1,valid,Kd,=,0.48,mM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:C:208,invalid,,,,,[Cl-],
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:C:210,invalid,,,,,[Cl-],
,,,CL:E:206,invalid,,,,,[Cl-],
,,,CL:F:205,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:C:209,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4BS0,,,,,,,
,,,SO4:B:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:B:1305,valid,Ki,=,2,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:A:1305,valid,Ki,=,2,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,2BNJ,,,,,,,
,,,XYP XYP AHR FER:B:1,valid,,,,,O=C(OCC1C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)OC3)OCC2O)O1)C=Cc1cc(OC)c(O)cc1,
,,7K4X,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:A:401,valid,Kd,=,13.04,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:401,valid,Kd,=,13.04,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,5RGA,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:500,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,7K4Z,,,,,,,
,,,1PE:A:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,6NT:A:402,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,1GOR,,,,,,,
,,,XYS XYP:B:1,valid,,,,,,
,,7K4Q,,,,,,,
,,,6NT:A:401,valid,Kd,=,372.5,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:401,valid,Kd,=,372.5,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5RGD,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,7K4U,,,,,,,
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,5RGC,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,3NYD,,,,,,,
,,,3NY:A:317,valid,,,,,c1cc2c(cc1[N+](=O)[O-])nn[nH]2,
,,,3NY:B:317,valid,,,,,c1cc2c(cc1[N+](=O)[O-])nn[nH]2,
,,,ACT:A:318,invalid,,,,,CC(=O)[O-],
,,,ACT:A:319,invalid,,,,,CC(=O)[O-],
,,,ACT:A:320,invalid,,,,,CC(=O)[O-],
,,,ACT:B:318,invalid,,,,,CC(=O)[O-],
,,,SO4:A:321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5RGB,,,,,,,
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5RGE,,,,,,,
,,,6NT:A:500,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,1GOQ,,,,,,,
,,,XYP:A:403,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:404,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,5RGF,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6NT:A:401,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:500,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,Family. Representative Entry is ,1UR1,,,,,,,
,,,CL:A:1379,invalid,,,,,[Cl-],
,,,MG:A:1380,invalid,,,,,[Mg+2],
,,,XYS XYP AHR:B:1,valid,,,,,,
,,1UR2,,,,,,,
,,,CL:A:1383,invalid,,,,,[Cl-],
,,,CL:A:1384,invalid,,,,,[Cl-],
,,,MG:A:1385,invalid,,,,,[Mg+2],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,XYS XYP AHR XYP:C:1,valid,,,,,,
,,2CNC,,,,,,,
,,,CL:A:1384,invalid,,,,,[Cl-],
,,,CL:A:1385,invalid,,,,,[Cl-],
,,,MG:A:1389,invalid,,,,,[Mg+2],
,,,XYS XYP AHR:B:1,valid,,,,,,
,,1UQY,,,,,,,
,,,MG:A:1380,invalid,,,,,[Mg+2],
,,,XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYS XYP XYP:B:1,valid,,,,,,
,,1UQZ,,,,,,,
,,,CL:A:1381,invalid,,,,,[Cl-],
,,,MG:A:1382,invalid,,,,,[Mg+2],
,,,XYP XYP XYP GCV:B:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(O)COC2OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)O1,
,,,XYS XYP XYP:C:1,valid,,,,,,
,Family. Representative Entry is ,3RDK,,,,,,,
,,,CL:A:348,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,GOL:A:346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:349,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:352,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:353,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:346,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:347,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:348,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:349,invalid,,,,,C(C(CO)O)O,
,,,MG:A:354,Part of Protein,,,,,[Mg+2],
,,,XYS XYP XYP GCV:D:1,valid,,,,,,
,,,XYS XYP XYP GCV:C:1,valid,,,,,,
,Family. Representative Entry is ,4QB6,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,XYP GCU:B:1,valid,,,,,O=C([O-])C1C(O)C(O)C(O)C(OC2C(O)C(O)COC2)O1,
,,4QB2,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GCU:A:201,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:A:204,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,Family. Representative Entry is ,1UXX,,,,,,,
,,,CA:X:1130,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP XYP XYP:A:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,Family. Representative Entry is ,2Y64,,,,,,,
,,,CA:A:1168,Part of Protein,,,,,[Ca+2],
,,,CA:A:1169,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP XYP XYP:B:1,valid,Kd,=,1.68,uM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,2Y6K,,,,,,,
,,,CA:A:1167,Part of Protein,,,,,[Ca+2],
,,,CA:A:1168,Part of Protein,,,,,[Ca+2],
,,,CIT:A:1173,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,4BJ0,,,,,,,
,,,CA:A:1167,Part of Protein,,,,,[Ca+2],
,,,BGC BGC XYS BGC XYS XYS:B:1,valid,Ka,=,151000,M^-1,,
,,2Y6L,,,,,,,
,,,CA:A:1168,Part of Protein,,,,,[Ca+2],
,,,CA:A:1169,Part of Protein,,,,,[Ca+2],
,,,XYP XYP XYP XYP XYP:B:1,valid,Kd,=,43,uM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,2Y6G,,,,,,,
,,,BGC BGC BGC:B:1,valid,Kd,~,1,mM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:1169,Part of Protein,,,,,[Ca+2],
,,,CA:A:1170,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2Y24,,,,,,,
,,,IMD:A:1008,invalid,,,,,c1c[nH+]c[nH]1,
,,,PG4:A:1005,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1006,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1007,invalid,,,,,C(COCCOCCO)O,
,,,XYP XYP GCV XYP:B:1,valid,,,,,O=C([O-])C1C(OC)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)CO3)COC2OC2C(O)C(O)C(O)OC2)O1,
,Family. Representative Entry is ,1US2,,,,,,,
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,Family. Representative Entry is ,1I82,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:191,Part of Protein,,,,,[Ca+2],
,,,CA:A:192,Part of Protein,,,,,[Ca+2],
,,,CA:A:193,Part of Protein,,,,,[Ca+2],
,,1I8A,,,,,,,
,,,BGC:A:189,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:190,Part of Protein,,,,,[Ca+2],
,,,CA:A:191,Part of Protein,,,,,[Ca+2],
,,,CA:A:192,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1XNK,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z4U TWY TWY:C:1,valid,Ka,=,10900,M^-1,S(C1C(O)C(O)C(S)CO1)C1C(O)C(O)C(SC2C(O)C(O)C(OC)OC2)OC1,
,,,Z4U TWY TWY:D:1,valid,Ka,=,10900,M^-1,S(C1C(O)C(O)C(S)CO1)C1C(O)C(O)C(SC2C(O)C(O)C(OC)OC2)OC1,
,Family. Representative Entry is ,1R87,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP:C:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:905,Part of Protein,,,,,[Zn+2],
,,,ZN:A:906,Part of Protein,,,,,[Zn+2],
,,,ZN:A:907,Part of Protein,,,,,[Zn+2],
,,1HIZ,,,,,,,
,,,GLA:A:1381,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1382,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:A:1383,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1GNY,,,,,,,
,,,NA:A:1244,Part of Protein,,,,,[Na+],
,,,XYP XYP XYP XYP XYP:B:1,valid,Kd,=,73,uM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
3.6.3.14,,,,,,,,,
,Family. Representative Entry is ,2DPY,,,,,,,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5BN3,,,,,,,
,,,DIO:B:504,invalid,,,,,C1COCCO1,
,,,DIO:A:602,invalid,,,,,C1COCCO1,
,,,DIO:B:501,invalid,,,,,C1COCCO1,
,,,DIO:A:605,invalid,,,,,C1COCCO1,
,,,DIO:A:604,invalid,,,,,C1COCCO1,
,,,DIO:A:603,invalid,,,,,C1COCCO1,
,,,DIO:B:502,invalid,,,,,C1COCCO1,
,,,DIO:B:503,invalid,,,,,C1COCCO1,
,,,MG:B:510,invalid,,,,,[Mg+2],
,,,MG:A:609,Part of Protein,,,,,[Mg+2],
,,,MG:B:511,invalid,,,,,[Mg+2],
,,,MG:B:509,invalid,,,,,[Mg+2],
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3I73,,,,,,,
,,,ACY:A:594,invalid,,,,,CC(=O)O,
,,,ADP:A:589,valid,Kd,=,3.23,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MPD:A:590,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:591,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:592,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TRS:A:593,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3I4L,,,,,,,
,,,ACY:A:593,invalid,,,,,CC(=O)O,
,,,ANP:A:589,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MPD:A:590,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:591,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:592,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TRS:A:594,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3B2Q,,,,,,,
,,,AES:B:462,valid,,,,,c1cc(ccc1CCN)S(=O)(=O)F,
,,,ATP:A:461,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:B:463,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4V1F,,,,,,,
,,,BOG:B:1088,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1090,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1091,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:1088,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1089,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BQ1:B:1087,valid,,,,,CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O,
,,,BQ1:A:1087,valid,,,,,CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O,
,,,BQ1:C:1087,valid,,,,,CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccccc3)c4cc5cc(ccc5nc4OC)Br)O,
,Family. Representative Entry is ,2E5Y,,,,,,,
,,,ATP:A:1001,valid,Kd,=,22,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1002,valid,Kd,=,22,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3ZIA,,,,,,,
,,,MG:P:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:N:601,Part of Protein,,,,,[Mg+2],
,,,MG:K:601,Part of Protein,,,,,[Mg+2],
,,,MG:M:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,MG:L:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,EDO:M:602,invalid,,,,,C(CO)O,
,,,EDO:L:604,invalid,,,,,C(CO)O,
,,,EDO:O:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:L:602,invalid,,,,,C(CO)O,
,,,EDO:P:603,invalid,,,,,C(CO)O,
,,,ADP:F:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:P:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:O:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:N:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:M:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:K:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.13.11.46,,,,,,,,,
,Family. Representative Entry is ,2R5V,,,,,,,
,,,CO:A:4113,Part of Protein,,,,,[Co+2],
,,,CO:B:4114,Part of Protein,,,,,[Co+2],
,,,HHH:A:4114,valid,,,,,c1cc(ccc1[C@@H](C(=O)O)O)O,
,,,HHH:B:4116,valid,,,,,c1cc(ccc1[C@@H](C(=O)O)O)O,
,,,PO4:B:4115,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3ZGJ,,,,,,,
,,,CO:B:1368,Part of Protein,,,,,[Co+2],
,,,CO:A:1368,Part of Protein,,,,,[Co+2],
,,,RMN:B:1369,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)O,
,,,RMN:A:1369,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)O,
2.4.99.-,,,,,,,,,
,Family. Representative Entry is ,5AZC,,,,,,,
,,,PGT:A:302,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:305,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:307,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:310,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:304,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:308,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:301,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:309,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:306,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,5AZB,,,,,,,
,,,PGT:A:305,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:307,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:310,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:304,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:311,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:308,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:312,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:309,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:A:306,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,BOG:A:303,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLM:A:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2P2V,,,,,,,
,,,CL:A:800,invalid,,,,,[Cl-],
,,,CSF:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2X61,,,,,,,
,,,ACT:A:1262,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1265,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1264,invalid,,,,,CC(=O)[O-],
,,,CH:A:1264,valid,,,,,C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,CH:B:1262,valid,,,,,C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,EDO:A:1266,invalid,,,,,C(CO)O,
,,,EDO:B:1263,invalid,,,,,C(CO)O,
,,,MPD:A:1263,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NGA GAL SIA:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(C=O)OC1O)C,
,,,NGA GAL SIA:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(C=O)OC1O)C,
,,2X62,,,,,,,
,,,CH:A:1261,valid,,,,,C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,CH:B:1261,valid,,,,,C1=C(NC(=O)[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,EDO:A:1260,invalid,,,,,C(CO)O,
,,,EDO:B:1260,invalid,,,,,C(CO)O,
,,1RO8,,,,,,,
,,,C5P:A:2001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2X63,,,,,,,
,,,C:A:1261,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,EDO:A:1260,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5BO9,,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CSF:B:410,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:A:412,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NGS GAL SIA:F:1,valid,Kd,=,250,uM,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(NC(=O)C)C(O)O1)[O-],
,,,NGS GAL SIA:I:1,valid,Kd,=,250,uM,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(NC(=O)C)C(O)O1)[O-],
,,5BO6,,,,,,,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG:B:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CDP:B:407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:A:411,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5BO7,,,,,,,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CTP:A:410,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:408,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:B:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,Family. Representative Entry is ,6APL,,,,,,,
,,,NAG:F:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,C5P:D:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:E:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,2YK7,,,,,,,
,,,1PE:A:1372,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CSF:A:1371,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,EDO:A:1373,invalid,,,,,C(CO)O,
,,2YK5,,,,,,,
,,,1PE:A:1377,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,C:A:1375,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,EDO:A:1381,invalid,,,,,C(CO)O,
,,,EDO:A:1382,invalid,,,,,C(CO)O,
,,,PO4:A:1376,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:1378,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1379,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1380,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WQQ,,,,,,,
,,,CSF:A:1259,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,PEG:A:1260,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1RO7,,,,,,,
,,,CSF:C:1001,valid,Ki,=,657,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:C:2001,valid,Ki,=,657,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:C:3001,valid,Ki,=,657,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,CSF:C:4001,valid,Ki,=,657,uM,CC(=O)N[C@@H]1[C@H]([C@H](C(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)F)O,
,,,MPD:B:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
2.7.11.24,,,,,,,,,
,Family. Representative Entry is ,1OUK,,,,,,,
,,,084:A:501,valid,ic50,=,0.13,nM,C[C@@H](c1ccccc1)Nc2nccc(n2)c3c(nc(n3C)C4CCNCC4)c5cccc(c5)C(F)(F)F,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R8X,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SLY:A:401,valid,,,,,c1ccc(cc1)Oc2ccccc2CN,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GCV,,,,,,,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:363,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SS6:A:361,valid,Kd,=,74,nM,Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N,
,,3L8S,,,,,,,
,,,BFF:A:361,valid,Kd,=,99,nM,c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,6Y7Y,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,OFQ:A:407,valid,,,,,C1C2CC3CC1CC(C2)C3(CO)N,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,LOT:A:408,valid,,,,,c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O,
,,,LOT:A:409,valid,,,,,c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,3RIN,,,,,,,
,,,I2O:A:401,valid,ic50,=,1.3,nM,Cc1ccc(cc1c2ccc3c(c2)NC(=O)C34CCCC4)C(=O)NC5CC5,
,,5N65,,,,,,,
,,,8OT:A:402,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N,
,,,8OT:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NCCc4cccs4)N,
,,4FA2,,,,,,,
,,,SB0:A:402,valid,,,,,COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,GG5:A:401,invalid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5R9B,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,JGM:A:401,valid,,,,,CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NN,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GHM,,,,,,,
,,,LIC:A:353,valid,,,,,C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)NCc3ccccc3Cl,
,,5RA0,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,JFS:A:401,valid,,,,,c1ccc2c(c1)ncn2c3ccc(cc3)CO,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,1W84,,,,,,,
,,,L12:A:1356,valid,ic50,=,35,uM,c1ccc2c(c1)c(c[nH]2)CCc3ccncc3,
,,6M95,,,,,,,
,,,J8S:A:501,valid,ic50,=,140,nM,COc1cc(ccc1C(=O)N2CCC(CC2)Cc3ccccc3)SC,
,,4EH5,,,,,,,
,,,0OM:A:402,valid,,,,,c1ccc(cc1)COC(=O)c2cccnc2,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,5R9K,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,SR4:A:401,valid,,,,,c1ccc2c(c1)C(=CCCO2)C(=O)O,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,2BAK,,,,,,,
,,,AQZ:A:401,valid,Kd,=,37,nM,Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6,
,,3HV6,,,,,,,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,R39:A:361,valid,ic50,=,5500,nM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)OCCN4CCOCC4,
,,5R9G,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,RGY:A:401,valid,,,,,Cc1c2c(on1)[C@@H]3C[C@H]4CNC[C@@]4([C@@H]2O)N3C,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HP2,,,,,,,
,,,I46:A:402,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,I46:A:403,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,P36:A:401,valid,,,,,c1ccc(cc1)CN2C=CC(=C(C2=O)Br)OCc3ccccc3,
,,6M9L,,,,,,,
,,,J9G:A:501,valid,ic50,=,29,nM,c1ccc(cc1)CN2c3c(cc(cn3)Nc4ccc(cc4F)F)NC2=O,
,,6YCU,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,OKZ:A:405,valid,,,,,CCCNS(=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,1WBO,,,,,,,
,,,2CH:A:1355,valid,ic50,>,1,mM,c1ccc(c(c1)O)Cl,
,,4KIQ,,,,,,,
,,,1RA:B:401,valid,ic50,=,23,nM,CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4,
,,,1RA:C:401,valid,ic50,=,23,nM,CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4,
,,,1RA:A:401,valid,ic50,=,23,nM,CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4,
,,,1RA:D:401,valid,ic50,=,23,nM,CCOC(=O)n1ccc2c1cc(cc2)C(=O)Nc3cc(ccc3C)C(=O)NC4CC4,
,,3GC7,,,,,,,
,,,B45:A:361,valid,ic50,=,0.4,nM,CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F,
,,4EH6,,,,,,,
,,,0ON:A:402,valid,,,,,c1ccc(cc1)NC(=O)c2cccnc2,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,5MTX,,,,,,,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FJI:A:401,valid,Kd,=,17.7,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6,
,,2ZB0,,,,,,,
,,,GK3:A:361,valid,Ki,=,0.24,uM,Cc1ccc(cc1c2ccc(cc2)C(=O)Nc3cccc(c3)C#N)c4nnc(o4)C,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,2GTM,,,,,,,
,,,LID:A:353,valid,ic50,=,542,nM,CCn1c2c(cnc(n2)Nc3c(cccc3F)F)nc1Nc4ccccc4Cl,
,,5N66,,,,,,,
,,,BW1:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cc(co4)CC5CC5)N,
,,,B96:A:402,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5,
,,6Y81,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,OG5:A:412,valid,Kd,=,25.1,uM,c1ccc(cc1)[C@@H](CC(=O)NCC2(C3CC4CC(C3)CC2C4)N)NS(=O)(=O)c5ccc(nc5)N6C(=O)CCC6=O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,5R94,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,SOV:A:401,valid,,,,,Cc1ccc(cc1C#N)N2C(=O)C=CC2=O,
,,2YIX,,,,,,,
,,,YIX:A:1355,valid,Kd,=,3.3,nM,CCNC(=O)NCc1ccccc1Sc2ccc3nnc(n3c2)C(C)C,
,,3OCG,,,,,,,
,,,OCG:A:361,valid,ic50,=,3,nM,Cc1ccc(cc1NC(=O)c2cnn(c2N)c3ccccc3)C(=O)Nc4ccon4,
,,1BL7,,,,,,,
,,,SB4:A:800,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,5R99,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SU7:A:401,valid,,,,,c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N,
,,6YJC,,,,,,,
,,,OSZ:A:401,valid,ic50,=,81.3,nM,c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)N5CCNCC5)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,3P7C,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P7C:A:362,valid,ic50,=,0.022,uM,CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C,
,,5RA2,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SV4:A:401,valid,,,,,Cc1cccnc1N2CCCNCC2,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R90,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,SNJ:A:401,valid,,,,,c1ccc(cc1)C2=NN(C(=O)C2)c3ccccc3,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Y6V,,,,,,,
,,,OE5:A:401,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)c3ccc(cc3)CNC(=O)c4cnn(c4N)c5ccccc5,
,,5TBE,,,,,,,
,,,78L:A:401,valid,Kd,=,4.4,nM,c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6,
,,4KIP,,,,,,,
,,,1R9:A:401,valid,ic50,=,7,nM,Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,,1R9:B:401,valid,ic50,=,7,nM,Cc1ccc(cc1NC(=O)c2cnc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,5R8Y,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SMV:A:401,valid,,,,,c1cc(sc1)C(=S)N,
,,,DMS:A:413,invalid,,,,,CS(=O)C,
,,2EWA,,,,,,,
,,,SB2:A:361,valid,,,,,C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4,
,,2GHL,,,,,,,
,,,LIB:A:401,valid,,,,,C[C@@H](C(C)(C)O)Nc1nccc(n1)N(c2ccc(cc2)OC)C(=O)Nc3ccccc3Cl,
,,1ZZ2,,,,,,,
,,,B11:A:362,valid,ic50,=,6,uM,c1ccc(c(c1)CNC2CCN(CC2)S(=O)(=O)Nc3cccc(c3)Oc4ccc(cc4)F)O,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5R9H,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SQV:A:401,valid,,,,,C[C@@H](c1cc(ccn1)OC)C(=O)OC,
,,3ZSI,,,,,,,
,,,52P:A:1000,valid,,,,,c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl,
,,,BOG:A:1354,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2YIW,,,,,,,
,,,I46:A:1354,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,YIW:A:1353,valid,,,,,CC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C,
,,5WJJ,,,,,,,
,,,AQY:A:501,valid,ic50,=,5.4,nM,Cc1cc(ccc1F)c2c(n3c(n2)cccn3)c4ccnc(c4)NC(=O)c5cc[n+](c(c5)C)[O-],
,,1A9U,,,,,,,
,,,SB2:A:800,valid,,,,,C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4,
,,6ZWP,,,,,,,
,,,OE8:A:401,valid,ic50,=,22.1,nM,c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)Nc5ccc(cc5)F)N,
,,1M7Q,,,,,,,
,,,DQO:A:501,valid,ic50,=,2.6,nM,c1cc(c(c(c1)Cl)N2c3cc(cc(c3CNC2=O)c4ccc(cc4F)F)N5CCNCC5)Cl,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R91,,,,,,,
,,,SNV:A:401,valid,,,,,c1ccc(c(c1)N)N2CCN(CC2)CCO,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,5MTY,,,,,,,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HB9:A:401,valid,Kd,=,1.3,nM,c1cc(sc1)C(=O)Nc2cc(c(cc2F)F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCO,
,,6HWU,,,,,,,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GE5:A:404,valid,ic50,=,54.7,nM,COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)/N=N/c4ccccc4)c5ccc(cc5)F)OC,
,,4EH7,,,,,,,
,,,0OO:A:402,valid,,,,,c1ccc(cc1)Oc2cccc(c2)CO,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,1YQJ,,,,,,,
,,,6NP:A:362,valid,Ki,=,7.3,nM,c1ccc(cc1)C[C@H]2C[N@@](CCN2)c3cc(c(nn3)c4ccc5ccccc5c4)c6ccncc6,
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EH3,,,,,,,
,,,IRG:A:402,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,,NAR:A:401,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,5R9I,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,SQY:A:401,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,4AA5,,,,,,,
,,,NQB:A:1353,valid,ic50,=,16,nM,Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)NC5CC5,
,,1OVE,,,,,,,
,,,358:A:401,valid,ic50,=,0.74,nM,c1cc(c(c(c1)Cl)N2c3cc(cc(c3CCC2=O)c4ccc(cc4F)F)C5CCNCC5)Cl,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,3UVP,,,,,,,
,,,048:A:361,valid,ic50,=,0.035,uM,c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCCCC4=O,
,,,BOG:A:1000,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:362,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5N67,,,,,,,
,,,8ON:A:401,valid,,,,,CC(=O)N1CCN(CC1)c2ccc(cc2)c3nc4cc(ccc4c(n3)NCCc5ccccc5)N,
,,3NNV,,,,,,,
,,,437:A:355,valid,ic50,=,27,nM,CC(C)(C)c1cc(n(n1)c2ccc(cc2)CO)NC(=O)Nc3cccc4c3cccc4,
,,3CTQ,,,,,,,
,,,337:A:1,valid,ic50,=,40,nM,Cc1ccc(cc1n2cc(nn2)C(=O)NCc3ccccc3)C(=O)Nc4cc(cc(c4OC)NS(=O)(=O)C)C(C)(C)C,
,,5R9T,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6T5:A:401,valid,,,,,CC1=NNC(=O)N=C1Nc2ccc(cc2)C(C)C,
,,5R96,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SQ7:A:401,valid,,,,,c1cc(ccc1N2C(=O)C=NC2=O)Cl,
,,3IW7,,,,,,,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:363,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,IPK:A:361,valid,,,,,c1ccc(cc1)CC2CCN(CC2)C(=O)c3ccc(cc3)CSc4[nH]c5cnccc5n4,
,,3ITZ,,,,,,,
,,,P66:A:401,valid,ic50,=,1.4,nM,c1cc(c(c(c1)F)n2c3cnnc(c3cn2)Nc4cc(ccc4Cl)C(=O)NC5CC5)F,
,,2ZB1,,,,,,,
,,,GK4:A:361,valid,Ki,=,0.48,uM,Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)c4nnc(o4)C,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,3HV5,,,,,,,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MES:A:362,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,R24:A:361,valid,ic50,=,150,nM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-],
,,,R24:B:361,valid,ic50,=,150,nM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5c4cc(cc5)[N+](=O)[O-],
,,1WBW,,,,,,,
,,,LI4:A:1355,valid,ic50,=,44,uM,c1ccc2c(c1)cccc2COc3cccnc3N,
,,3P79,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P79:A:362,valid,ic50,=,2.3,uM,CC(C)(C)c1cc(n(n1)CC(=O)N2CCS(=O)(=O)CC2)NC(=O)Nc3ccc4ccccc4c3,
,,3HV7,,,,,,,
,,,1AU:A:361,valid,Kd,~,12,nM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3GFE,,,,,,,
,,,P37:A:361,valid,ic50,=,3.2,nM,Cc1ccc(cc1NC2=CC(=O)N(c3c2cnn3c4ccc(cc4F)F)C)C(=O)NC5CC5,
,,3ZYA,,,,,,,
,,,2A8:A:400,valid,,,,,c1ccc2c(c1)CCc3cc(ccc3C2=O)Nc4ccccc4N,
,,2RG5,,,,,,,
,,,279:A:501,valid,ic50,=,3.1,nM,CCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)NOC,
,,3L8X,,,,,,,
,,,N4D:A:361,valid,ic50,=,10,nM,Cc1ccc(cc1Nc2c3cnn(c3ncn2)c4ccccc4)C(=O)NC,
,,5R9A,,,,,,,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,SQM:A:401,valid,,,,,Cn1c(c(cn1)NC(=O)c2ccccc2)C(=O)N,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,5R9S,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,A9B:A:401,valid,,,,,c1cc(ccc1c2ccc(o2)C(=O)NN)Cl,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OMH,,,,,,,
,,,9Y5:A:401,valid,,,,,Cc1c2c(n(n1)c3cccc(c3)Cl)-c4ccccc4S(=O)(=O)N2,
,,5R8W,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,JND:A:401,valid,,,,,CCc1cc2c(s1)N=CNC2=O,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5RA6,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,SVM:A:401,valid,,,,,c1ccnc(c1)CCNC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3,
,,3GCS,,,,,,,
,,,BAX:A:401,valid,Kd,=,56,nM,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,6OHD,,,,,,,
,,,MKP:A:900,valid,ic50,=,0.42,nM,Cc1ccc(cc1c2cc3c(nc2)N(C(=O)N3)C(C)(C)C)C(=O)Nc4ccon4,
,,3ZS5,,,,,,,
,,,BOG:A:1353,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1357,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1355,invalid,,,,,C(CO)O,
,,,EDO:A:1356,invalid,,,,,C(CO)O,
,,,SB2:A:1000,valid,,,,,C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4,
,,3D83,,,,,,,
,,,GK6:A:401,valid,Ki,=,4.4,nM,Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)NC(=O)c4ccnc(c4)N5CCOCC5,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,1YW2,,,,,,,
,,,PGJ:A:2001,valid,ic50,=,141,nM,CCOC[N@]1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O,
,,1W82,,,,,,,
,,,L10:A:1356,valid,ic50,=,196,nM,CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Cl)N(N1)c3ccccc3,
,,3ZSG,,,,,,,
,,,BOG:A:1353,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,T75:A:400,valid,,,,,CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C,
,,5TCO,,,,,,,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,79Q:A:401,valid,Kd,=,3.14,nM,c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6,
,,5R9Z,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,AYS:A:401,valid,,,,,c1ccc(c(c1)C(=O)N)Nc2ccc(cc2)Cl,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HWT,,,,,,,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GXH:A:404,valid,,,,,COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)NNc4ccccc4)c5ccc(cc5)F)OC,
,,4EH8,,,,,,,
,,,0OP:A:402,valid,,,,,c1ccc(cc1)COc2cccc(c2)CO,
,,,0OP:A:403,valid,,,,,c1ccc(cc1)COc2cccc(c2)CO,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,5R8V,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SLV:A:401,valid,,,,,CCCc1ccc(cc1O)NC(=O)C,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,5RA4,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SVG:A:401,valid,,,,,C/C(=NCc1cccnc1)/c2ccc(cc2)Cl,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GCP,,,,,,,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:363,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SB2:A:361,valid,Kd,=,15,nM,C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4,
,,3HLL,,,,,,,
,,,I45:A:401,valid,Ki,=,0.0058,uM,Cc1ccc(cc1N2C(=CC(=C(C2=O)Br)OCc3ccc(cc3F)F)C)C(=O)NC,
,,,I46:A:402,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,PO2:A:501,invalid,,,,,[O-]P=O,
,,1ZZL,,,,,,,
,,,TZY:A:999,valid,ic50,=,5,nM,CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F,
,,2RG6,,,,,,,
,,,287:A:501,valid,ic50,=,2.2,nM,Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC,
,,,287:A:502,valid,ic50,=,2.2,nM,Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)N[C@@H](C)c4ccccc4)C)C(=O)NOC,
,,6Y80,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SB4:A:402,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OFZ:A:401,valid,,,,,[H]/N=C(NCC)/NCC1C2CC3CC(C2)CC1C3,
,,3MPT,,,,,,,
,,,1GK:A:361,valid,ic50,=,0.25,uM,Cc1ccccc1C(=O)c2cc([nH]c2)C(=O)NCc3ccco3,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,5OMG,,,,,,,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,9Y8:A:402,valid,,,,,CN1c2c([nH]nc2c3ccc(cc3)F)-c4ccccc4S1(=O)=O,
,,1BL6,,,,,,,
,,,SB6:A:800,valid,,,,,c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccncc4)F,
,,3NNW,,,,,,,
,,,EDD:A:355,valid,ic50,=,9,nM,CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N,
,,3GI3,,,,,,,
,,,B10:A:391,valid,Kd,<,1.8,nM,CC(C)(C)c1cc(c(c(c1)NS(=O)(=O)C)OC)NC(=O)Nc2ccc(c3c2cccc3)c4ccc(nc4)CN5CCOCC5,
,,3K3J,,,,,,,
,,,F4C:A:361,valid,,,,,c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F,
,,,I46:A:362,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,3HEC,,,,,,,
,,,BOG:A:353,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,STI:A:1,valid,Kd,=,34,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,1IAN,,,,,,,
,,,D13:A:391,valid,,,,,C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I,
,,,D13:A:392,valid,,,,,C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I,
,,,D13:A:393,valid,,,,,C[S@@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)I,
,,3FC1,,,,,,,
,,,52P:X:362,valid,,,,,c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl,
,,,CL:X:361,invalid,,,,,[Cl-],
,,3MVM,,,,,,,
,,,39P:A:361,valid,ic50,=,3.9,nM,CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4,
,,,39P:B:361,valid,ic50,=,3.9,nM,CCCNC(=O)c1cn2c(c1C)c(ncn2)Nc3cc(ccc3C)C(=O)Nc4ccon4,
,,3NNU,,,,,,,
,,,EDB:A:355,valid,ic50,=,48,nM,c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl)Cl)/C=C(N2)c4cccs4)CC(=O)N,
,,1W7H,,,,,,,
,,,3IP:A:1355,valid,ic50,>,1,mM,c1ccc(cc1)COc2cccnc2N,
,,5R9X,,,,,,,
,,,NZ4:A:401,valid,,,,,CC(=O)c1cccc(c1)NC(=O)N2CCOCC2,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3U8W,,,,,,,
,,,09J:A:500,valid,ic50,=,1,nM,CCN1C(=O)C(=Cc2n1c(nn2)c3c(cccc3Cl)F)c4cc(ccc4C)C(=O)NC5CC5,
,,1WBS,,,,,,,
,,,GOL:A:1356,invalid,,,,,C(C(CO)O)O,
,,,LI2:A:1355,valid,ic50,=,0.63,uM,c1cc2c(cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4)c(c[nH]2)CCc5ccncc5,
,,5R9M,,,,,,,
,,,A7K:A:402,valid,,,,,c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO,
,,,A7K:A:401,valid,,,,,c1ccc(c(c1)C[NH3+])N2CCC(CC2)CO,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,4E6C,,,,,,,
,,,0O8:A:500,valid,Kd,~,15,uM,CCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OC1CC[N+](CC1)(C)C,
,,5N68,,,,,,,
,,,8OK:A:401,valid,,,,,c1ccc(cc1)CCNc2c3ccc(cc3nc(n2)c4ccc(cc4)N5CCOCC5)N,
,,1WBV,,,,,,,
,,,DMS:A:1359,invalid,,,,,CS(=O)C,
,,,GOL:A:1356,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1357,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,LI3:A:1355,valid,ic50,=,162,uM,c1cc2c(cc[nH]2)cc1NC(=O)c3cc(cc(c3)F)N4CCOCC4,
,,5RA3,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SVD:A:401,valid,,,,,CC(C)(C)[C@H]1CC(=O)N(N1O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R98,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SQG:A:401,valid,,,,,c1cc(ccc1NC(=O)CC#N)OC(F)(F)F,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5RA8,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,2O6:A:401,valid,,,,,c1cc2c(cc1C(F)(F)F)c(no2)N,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R9J,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,LXS:A:401,valid,,,,,CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EH2,,,,,,,
,,,0OK:A:402,valid,,,,,c1ccc(cc1)N2C=Nc3ccccc3C2=O,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,3HA8,,,,,,,
,,,5JZ:A:361,valid,,,,,CCOc1nc(nc(n1)n2cnc3c2cc(cc3)C(=O)N4CCCc5c4cccc5)N[C@@H](Cc6ccc7c(c6)COC(O7)(C)C)C(=O)NC,
,,6Y7W,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,OFW:A:407,valid,Kd,=,57.8,uM,C[C@@]1(CN(CCO1)S(=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(C5CC6CC(C5)CC4C6)N,
,,3HEG,,,,,,,
,,,BAX:A:1,valid,Kd,=,0.18,uM,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl,
,,2ZAZ,,,,,,,
,,,ACT:A:361,invalid,,,,,CC(=O)[O-],
,,,GK1:A:362,valid,Ki,=,0.4,uM,Cc1ccc(cc1Nc2ccnc3c2ccc(c3)c4csc(n4)C=O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,5R9R,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,K3D:A:401,valid,,,,,CCNC(=O)N1CCN(CC1)C(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HP5,,,,,,,
,,,52P:A:401,valid,,,,,c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl,
,,,I46:A:402,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,I46:A:403,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,5ML5,,,,,,,
,,,1VI:A:404,valid,ic50,=,10,nM,COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5R93,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SOJ:A:401,valid,,,,,c1ccc(cc1)Nc2ccc(cc2)N,
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,4DLI,,,,,,,
,,,IRG:A:401,valid,Kd,=,2.4,uM,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,,IRG:A:402,valid,Kd,=,2.4,uM,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,3P78,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P78:A:362,valid,ic50,=,0.11,uM,CC(C)(C)c1cc(c(s1)NC(=O)Nc2ccc3ccccc3c2)C(=O)N4CCS(=O)(=O)CC4,
,,5R9Y,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,SU7:A:401,valid,,,,,c1ccc(cc1)CC2CCN(CC2)C(=O)CC#N,
,,4EH9,,,,,,,
,,,0OQ:A:402,valid,,,,,c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)C(F)(F)F,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,1YWR,,,,,,,
,,,LI9:A:361,valid,ic50,=,32,nM,C[C@@H](c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F,
,,3IW5,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:363,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DF3:A:362,valid,Kd,=,0.839,uM,c1ccc2c(c1)c(cn2CCNC(=O)c3cccc(c3)C(F)(F)F)SCC(=O)Nc4ccc5c(c4)OCCO5,
,,5R9C,,,,,,,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7ZC:A:401,valid,,,,,CN(C)Cc1c[nH]c2c1cc(cc2)OC,
,,3HV3,,,,,,,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,R49:A:361,valid,ic50,=,900,nM,Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4ccnc5c4cc(cc5)N,
,,6HWV,,,,,,,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GEW:A:404,valid,ic50,=,115,nM,Cn1c(c(nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)CCc5cc(ccc5OC)OC,
,,5R8U,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:411,Part of Protein,,,,,[Mg+2],
,,,SLS:A:401,valid,,,,,c1cc2c(cc1C(=O)N)CCCO2,
,,4A9Y,,,,,,,
,,,AQZ:A:1354,valid,,,,,Cc1ccc(cc1Nc2c3cc(c(cc3ncn2)OC)OCCN4CCCC4)NC(=O)c5ccnc(c5)N6CCOCC6,
,,5R9Q,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,LVD:A:401,valid,,,,,c1ccc(cc1)CONC(=O)N,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GCU,,,,,,,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:403,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MES:A:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,R48:A:401,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N,
,,,R48:B:401,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4c5cc(ccc5ncn4)N,
,,1OUY,,,,,,,
,,,094:A:501,valid,ic50,=,4.3,nM,c1cc(c(c(c1)Cl)N2c3cc(c(nc3CNC2=O)Sc4ccc(cc4F)F)C5=CCNCC5)Cl,
,,5R9L,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SRJ:A:401,valid,,,,,c1ccc(cc1)[C@@H]([C@H]2C3(CCC(N2CC4CC4)CC3)O)O,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3D7Z,,,,,,,
,,,GK5:A:401,valid,Ki,=,12,nM,Cc1ccc(cc1c2ccc(cc2)C(=O)NCC3CC3)C(=O)NC4CC4,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YIS,,,,,,,
,,,I46:A:1354,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,YIS:A:1353,valid,,,,,CC(C)(C)c1cc(n(n1)c2ccc(c(c2)Cl)O)NC(=O)NCc3ccccc3Sc4ccc5nnc(n5c4)c6ccccc6SCCO,
,,6YCW,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,OL8:A:405,valid,,,,,c1cc(cc(c1)N2C(=O)C=CC2=O)NC(=O)c3ccco3,
,,3BV2,,,,,,,
,,,P38:A:501,valid,ic50,=,0.44,nM,Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)NC(=C)c4ccccc4)C)NC(=O)c5ccnc(c5)N6CCOCC6,
,,4R3C,,,,,,,
,,,3GF:A:403,invalid,,,,,CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5,
,,,3GF:A:402,valid,,,,,CN1CCN(CC1)c2cc(c(nn2)c3ccc4ccccc4c3)c5ccncc5,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,GG5:A:401,valid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,4L8M,,,,,,,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,F46:A:403,valid,ic50,=,0.001,uM,c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)OCc5ccc(cc5C4=O)OCCN6CCOCC6,
,,4E6A,,,,,,,
,,,0O9:A:500,valid,,,,,CCCCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)O[C@H]1[C@H](C[C@@H]([C@H]([C@H]1O)O)O)OCC(C)C)OC,
,,1WBN,,,,,,,
,,,L09:A:1355,valid,ic50,=,0.35,uM,CC(C)(C)c1cc([nH]n1)NC(=O)Nc2ccc(c(c2)COc3cccnc3)Cl,
,,6ZWR,,,,,,,
,,,OEB:A:401,valid,ic50,=,21.7,nM,c1ccc(cc1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)C(=O)NCc5ccncc5)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,2QD9,,,,,,,
,,,LGF:A:361,valid,ic50,=,13,nM,COc1c(cc2c(c[nH]c2n1)C(=O)C(=O)N3CC[C@H](C3)O)C(=O)N4CCn5c(cnc5c6ccc(cc6F)F)C4,
,,3HUC,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,G97:A:362,valid,Kd,=,1030,nM,C=CC(=O)Nc1ccc2c(c1)nc(nc2Nc3cc[nH]n3)c4ccccc4,
,,,MES:A:363,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3HL7,,,,,,,
,,,I46:A:402,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,I47:A:401,valid,Ki,=,0.023,uM,c1cc(ccc1c2c(c(n[nH]2)C3CCN(CC3)C(=O)CO)c4ccncn4)Cl,
,,4EHV,,,,,,,
,,,0SJ:A:401,valid,,,,,c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl,
,,,0SJ:A:402,valid,,,,,c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl,
,,,0SJ:A:404,valid,,,,,c1cc(ccc1C(=O)N2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)Cl,
,,,IRG:A:403,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,5R95,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SQ4:A:401,valid,,,,,c1cc(ccc1N)N2C(=O)C=CC2=O,
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,2GTN,,,,,,,
,,,LIE:A:354,valid,ic50,=,4,nM,CC(C)n1c2c(cnc(n2)Oc3c(cccc3F)F)nc1Nc4ccccc4F,
,,,SO4:A:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HRB,,,,,,,
,,,I39:A:1,valid,ic50,=,21,nM,Cc1ccccc1c2c(c(cc[n+]2[O-])C(=O)c3ccc(cc3F)F)N,
,,3BX5,,,,,,,
,,,304:A:501,valid,ic50,=,3.5,nM,CC[C@@H](C)Nc1ncc(s1)C(=O)Nc2cc(ccc2C)C(=O)NC,
,,5R9V,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SSY:A:401,valid,,,,,CC(=O)c1cccc(c1)NC(=O)C(F)(F)F,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HVC,,,,,,,
,,,GG5:A:361,valid,ic50,=,600,nM,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,GG5:A:362,valid,ic50,=,600,nM,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,2GFS,,,,,,,
,,,PQB:A:361,valid,ic50,=,0.7,uM,c1cc(cc(c1)OC[C@H](CO)O)C(=O)c2cnn(c2N)c3ccc(cc3)F,
,,5N63,,,,,,,
,,,8OW:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4ccc(cc4)F)N,
,,2NPQ,,,,,,,
,,,BOG:A:1000,valid,Kd,=,3.08,uM,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:2000,valid,Kd,=,3.08,uM,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3IW6,,,,,,,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:363,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PP0:A:361,valid,Kd,=,3.29,uM,CCn1c(c(c(c1C(=O)OCC)C)C(=O)N2CCN(CC2)Cc3ccccc3)C,
,,3S4Q,,,,,,,
,,,NK0:A:361,valid,ic50,=,4,nM,Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5,
,,2BAJ,,,,,,,
,,,1PP:A:401,valid,Kd,=,4,nM,CC(C)(C)c1cc(n(n1)c2ccccc2)NC(=O)Nc3cccc(c3Cl)Cl,
,,3ROC,,,,,,,
,,,29A:A:401,valid,,,,,Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO,
,,,29B:A:402,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccncc3)F,
,,5RA7,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SW7:A:401,valid,,,,,Cc1ccc(cc1)C(=O)N,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,5R8Z,,,,,,,
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SN4:A:401,valid,,,,,COc1ccc(cn1)C(=S)N,
,,5R9D,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,N9J:A:401,valid,,,,,c1ccc(cc1)COC(=O)NO,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R9P,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SFY:A:401,valid,,,,,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NWW,,,,,,,
,,,3NW:A:361,valid,ic50,=,7,nM,CCNC(=O)NCc1ccccc1c2cc(nc(n2)NCCN(C)C)c3cnc(s3)NC(C)C,
,,1W83,,,,,,,
,,,L11:A:1355,valid,ic50,=,0.065,uM,c1cc(cnc1)OCc2cc(ccc2Cl)NC(=O)C3=CC(CC(C3)N4CCOCC4)F,
,,3ZSH,,,,,,,
,,,469:A:400,valid,,,,,C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F,
,,,BOG:A:1353,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3IPH,,,,,,,
,,,G11:A:361,valid,Ki,=,0.0000251,mM,Cc1ccc(cc1c2ccc(cn2)C(=O)NCC3CC3)C(=O)NC4CC4,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:366,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:367,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:368,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MZ3,,,,,,,
,,,8EN:A:401,valid,ic50,=,0.0002,uM,Cc1ccc(cc1c2ccc3nc(cn3c2)NC(=O)C)NC(=O)c4cccc(c4)C(F)(F)F,
,,5R9W,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,STV:A:401,valid,,,,,CCS(=O)(=O)NCc1ccc2c(c1)OCO2,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3P7B,,,,,,,
,,,BOG:A:2095,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P7B:A:362,valid,ic50,=,0.018,uM,CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCC(=O)NCC4,
,,5RA1,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO6:A:401,valid,,,,,c1ccc(cc1)OCC(=O)N,
,,3GCQ,,,,,,,
,,,1BU:A:401,valid,Kd,=,342,nM,Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)Nc4c5cc(ccc5ncn4)N,
,,,BOG:A:402,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5RA5,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SVJ:A:401,valid,,,,,CN1[C@@H]2CC[C@H]1CC(C2)N,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R9E,,,,,,,
,,,S7S:A:401,valid,,,,,CCCC(=O)Nc1nnn(n1)CC,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4F9Y,,,,,,,
,,,BME:A:405,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,GG5:A:402,invalid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,GG5:A:401,invalid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,LM3:A:403,valid,Ki,=,184,nM,CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4,
,,5R92,,,,,,,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO7:A:401,valid,,,,,CN(C(=O)[C@H]1CC(=O)N(C1)c2ccc(cc2)OC)OC,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BAL,,,,,,,
,,,PQA:A:401,valid,Kd,=,490,nM,c1cc(cc(c1)OC2CCNCC2)C(=O)c3cnn(c3N)c4ccc(cc4)F,
,,3HUB,,,,,,,
,,,469:A:361,valid,Kd,=,8.2,nM,C[C@@H]1C[N@]([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F,
,,,BOG:A:1000,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4F9W,,,,,,,
,,,GG5:A:402,invalid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,GG5:A:401,invalid,,,,,c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F,
,,,BME:A:406,invalid,,,,,C(CS)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,LM4:A:403,valid,Ki,=,114,nM,CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccncc4,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,3P5K,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P5K:A:362,valid,ic50,=,0.076,uM,CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc3c2cccc3)C(=O)N4CCS(=O)(=O)CC4,
,,2I0H,,,,,,,
,,,222:A:3400,valid,ic50,=,9,nM,c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl,
,,,222:A:400,valid,ic50,=,9,nM,c1ccc2c(c1)C(=O)N(C2=O)CCCN(c3ccc(cc3Cl)F)C4=NN(C(=O)C=C4)c5ccccc5Cl,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,5R9F,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,SQP:A:401,valid,,,,,c1ccc(c(c1)c2ccc(cc2)N)C(=O)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,1ZYJ,,,,,,,
,,,BI5:A:362,valid,ic50,=,1.5,uM,c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,6Y7X,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,OFQ:A:407,valid,,,,,C1C2CC3CC1CC(C2)C3(CO)N,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,3K3I,,,,,,,
,,,I46:A:2,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,I46:A:353,valid,,,,,c1cc(ccc1c2c[nH]nc2c3ccnc(c3)F)F,
,,,JZJ:A:1,valid,,,,,c1ccc2c(c1)C[C@H](NC2)c3[nH]cc(n3)c4ccc(cc4)Br,
,,1WBT,,,,,,,
,,,WBT:A:1355,valid,ic50,=,0.34,uM,c1cc(cc2c1ccn2CCc3ccncc3)NC(=O)c4cc(cc(c4)F)N5CCOCC5,
,,1BMK,,,,,,,
,,,SB5:A:800,valid,,,,,c1cc(ccc1c2c(n(cn2)CC3CC3)c4ccnc(n4)N)F,
,,3E92,,,,,,,
,,,G6A:A:361,valid,Ki,=,10,nM,Cc1ccc(cc1c2ccc(cc2C)c3nnc(o3)C)C(=O)NC4CC4,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,3P7A,,,,,,,
,,,BOG:A:361,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,P7A:A:362,valid,ic50,=,0.52,uM,CC(C)(C)c1cc(c(s1)N2CCS(=O)(=O)CC2)NC(=O)Nc3cccc4c3cccc4,
,,6ANL,,,,,,,
,,,T75:A:401,valid,ic50,=,240,nM,CCc1nc(c(s1)c2ccnc(c2)NC(=O)c3ccccc3)c4cccc(c4)C,
,,3NNX,,,,,,,
,,,EDD:A:355,valid,ic50,=,11,nM,CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N1)c3cccc(c3)CC(=O)N,
,,4EH4,,,,,,,
,,,0OL:A:402,valid,,,,,c1ccc(cc1)C(=O)N2CCCCC2,
,,,IRG:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NC4CC4)N,
,,1KV1,,,,,,,
,,,BMU:A:391,valid,Kd,=,1.16,uM,CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl,
,,5R9U,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JMM:A:401,valid,,,,,c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,3KF7,,,,,,,
,,,L9G:A:401,valid,ic50,=,40,nM,Cc1ccc(cc1c2nnc3n2cc(cc3)CCc4ccc(cc4F)F)C(=O)N,
,,4KIN,,,,,,,
,,,1M8:B:401,valid,ic50,=,4.8,nM,Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,,1M8:C:401,valid,ic50,=,4.8,nM,Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,,1M8:A:401,valid,ic50,=,4.8,nM,Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,,1M8:D:401,valid,ic50,=,4.8,nM,Cc1ccc(cc1NC(=O)c2ccc(s2)c3ccccc3Cl)C(=O)NC4CC4,
,,5R9N,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JFS:A:401,valid,,,,,c1ccc2c(c1)ncn2c3ccc(cc3)CO,
,,4AA4,,,,,,,
,,,QC0:A:1356,valid,ic50,=,9,nM,Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccoc5,
,,5RA9,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SWD:A:401,valid,,,,,c1csc2c1ncnc2Cl,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5XYY,,,,,,,
,,,P0F:A:401,valid,ic50,=,9.221,uM,c1cc(cc(c1)O)c2[nH]c(nn2)NCc3c(cccc3Cl)F,
,,5R97,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,RUY:A:401,valid,,,,,C1CCN(CC1)c2c(non2)N,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:411,Part of Protein,,,,,[Mg+2],
,,3E93,,,,,,,
,,,19B:A:361,valid,Ki,=,1.4,nM,Cc1ccc(cc1c2ccc3c(c2)onc3C4CCNCC4)C(=O)Nc5cccc(c5)N6CCOCC6,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:364,invalid,,,,,C(C(CO)O)O,
,,5R9O,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,54F:A:401,valid,,,,,c1ccnc(c1)Oc2cccc(c2)N,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AAC,,,,,,,
,,,AAV:A:1360,valid,ic50,=,6.7,nM,Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)C(=O)Nc5ccon5,
,,,CL:A:1361,invalid,,,,,[Cl-],
,,4AA0,,,,,,,
,,,AA0:A:1353,valid,ic50,=,35,nM,Cc1ccc(cc1N2C=Nc3ccc(cc3C2=O)N4CCN(CC4)C)NC(=O)c5ccnc(c5)N6CCOCC6,
,,1OZ1,,,,,,,
,,,FPH:A:500,valid,ic50,=,6.5,nM,c1cc2c(c(c(n2O)c3ccncc3)c4ccc(cc4)F)nc1,
,,5N64,,,,,,,
,,,8OH:A:401,valid,,,,,c1ccc(cc1)c2nc3cc(ccc3c(n2)NCc4cccs4)N,
,,3IW8,,,,,,,
,,,BOG:A:362,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HIZ:A:361,valid,Kd,=,13.4,uM,c1ccc(cc1)COC[C@H](c2csc(n2)NC(=O)Nc3ccc(c(c3)Cl)F)N,
,Family. Representative Entry is ,5BVE,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4VG:A:401,valid,ic50,=,0.01,nM,c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5,
,,6GDM,,,,,,,
,,,F3Z:A:404,valid,,,,,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccncc7,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,4XP3,,,,,,,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:413,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DX4:A:401,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,6QAQ,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HVQ:A:405,valid,,,,,c1cscc1C[NH3+],
,,,HVQ:A:406,valid,,,,,c1cscc1C[NH3+],
,,4O6E,,,,,,,
,,,2SH:A:401,valid,ic50,=,1,nM,c1cc(c(cc1[C@@H](CO)NC(=O)N2CCc3cnc(nc3C2)NC4CCOCC4)Cl)F,
,,5NHJ,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XE:A:403,valid,ic50,=,0.00539,uM,Cn1c(ccn1)Nc2nccc(n2)c3cc4c([nH]3)CCN(C4=O)CCOC,
,,4QYY,,,,,,,
,,,3G7:A:401,valid,Kd,=,0.05,uM,CC(=O)c1ccc(cc1)N2CCN(CC2)C(=O)CN3CC[C@H](C3)C(=O)Nc4ccc(c(c4)Cl)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QAG,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HUH:A:404,valid,,,,,c1cnn[nH]1,
,,,HUH:A:405,valid,,,,,c1cnn[nH]1,
,,4I5H,,,,,,,
,,,G17:A:401,valid,Ki,<,2,nM,Cc1ccc(cc1c2ccc3c(c2)cnc(n3)NC4CC4)NC(=O)c5cccc(c5)C(F)(F)F,
,,6G93,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EU2:A:406,valid,ic50,=,11,nM,c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)NC2,
,,4QTE,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,390:A:430,valid,Kd,=,0.084,uM,Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl)Nc4ccc(cc4Cl)F,
,,,CL:A:427,invalid,,,,,[Cl-],
,,,CL:A:428,invalid,,,,,[Cl-],
,,,SO4:A:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:423,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XNE,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TT4:A:401,valid,,,,,c1ccc(cc1)n2c(nc(n2)N)N,
,,3QYW,,,,,,,
,,,6PB:A:359,valid,,,,,c1cc(cc(c1)Br)c2c3c(nc[nH]3)nc(n2)N,
,,,DMS:A:360,invalid,,,,,CS(=O)C,
,,,DMS:A:361,invalid,,,,,CS(=O)C,
,,,DMS:A:362,invalid,,,,,CS(=O)C,
,,,DMS:A:363,invalid,,,,,CS(=O)C,
,,,DMS:A:364,invalid,,,,,CS(=O)C,
,,,DMS:A:365,invalid,,,,,CS(=O)C,
,,,DMS:A:366,invalid,,,,,CS(=O)C,
,,,DMS:A:367,invalid,,,,,CS(=O)C,
,,,DMS:A:368,invalid,,,,,CS(=O)C,
,,,DMS:A:369,invalid,,,,,CS(=O)C,
,,,SO4:A:370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5BUE,,,,,,,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,4V8:A:401,valid,ic50,=,0.003,uM,c1ccc(cc1)CN2C=CC(=CC2=O)N3CCc4c(c([nH]n4)c5ccncc5)C3,
,,6GE0,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EVQ:A:406,valid,ic50,=,2.1,nM,C[C@H](c1cccc(c1)OC)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl,
,,6G9N,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ESN:A:407,valid,ic50,=,3,nM,Cc1cccc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl,
,,2Z7L,,,,,,,
,,,BME:A:2001,invalid,,,,,C(CS)O,
,,,BME:A:2002,invalid,,,,,C(CS)O,
,,,BME:A:2003,invalid,,,,,C(CS)O,
,,,S91:A:1001,valid,,,,,Cc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)CC(=O)O)C(=O)N,
,,,SO4:A:2100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QAW,,,,,,,
,,,HVE:A:402,valid,,,,,c1c[nH]c2c1c(ncn2)N3CCC(CC3)C[NH3+],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZXT,,,,,,,
,,,NH4:A:405,invalid,,,,,[NH4+],
,,,NH4:A:406,invalid,,,,,[NH4+],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAQ:A:401,valid,,,,,c1ccc(c(c1)O)O,
,,1WZY,,,,,,,
,,,F29:A:1001,valid,ic50,=,0.56,uM,C=CCn1c2c(cc(nn2)c3c4ccccn4nc3c5ccccc5)c(n1)N,
,,6DMG,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EK6:A:407,valid,,,,,CCOC(=O)CNCc1ccc(cc1Cl)c2cn[nH]c2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F,
,,5NHH,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XH:A:404,valid,ic50,<,0.00113,uM,COCCN1CCc2c(cc([nH]2)c3ccnc(n3)NC4CCOCC4)C1=O,
,,6OPH,,,,,,,
,,,6QB:A:401,valid,,,,,Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl,
,,6G9H,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ERW:A:405,valid,ic50,=,4,nM,CC(C)(C)N(C)C(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl,
,,4N4S,,,,,,,
,,,2H1:B:401,valid,,,,,Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N,
,,,2H1:A:401,valid,,,,,Cc1cc(cc2c1nc(cc2)OCc3ccccc3)c4c5c(ncnc5n(n4)C(C)C)N,
,,4QP8,,,,,,,
,,,362:B:401,valid,ic50,=,0.28,uM,c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4,
,,,362:A:401,valid,ic50,=,0.28,uM,c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4,
,,6SLG,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,ALA ALA LEU ALA PHE:B:1,invalid,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LHZ:A:401,valid,Kd,=,0.000000064,M,Cc1cnc(nc1c2cn3c(n2)C(=O)N([C@H](C3)COC)Cc4ccc(c(c4)F)F)Nc5ccnn5C,
,,4QP4,,,,,,,
,,,36O:A:401,valid,,,,,c1[nH]c2c(n1)c(ncn2)NC3CCCCC3,
,,,36O:B:401,valid,,,,,c1[nH]c2c(n1)c(ncn2)NC3CCCCC3,
,,6G9D,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ER8:A:406,valid,ic50,=,4.3,nM,CC(C)(C)NC(=O)CN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl,
,,6GJB,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F0H:A:406,valid,ic50,=,0.008,uM,c1cc(c(cc1[C@@H](CO)N2C=CC(=CC2=O)c3ccnc(n3)Nc4ccnc(c4)C#CCCNC(=O)O[C@@H]5CCC/C=CCC5)F)Cl,
,,6G91,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EQW:A:403,valid,ic50,=,3200,nM,c1c(cnc(n1)NC2CCOCC2)Cl,
,,6G8X,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EQT:A:404,valid,,,,,c1cc2c(c(c1)Cl)c(n[nH]2)N,
,,,EQT:A:403,valid,,,,,c1cc2c(c(c1)Cl)c(n[nH]2)N,
,,6DCG,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G67:A:403,valid,ic50,=,7,nM,CC(C)Oc1ccc(cn1)c2c3cc(ccc3[nH]n2)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)c6ccc(cc6)c7ncn(n7)C)SC,
,,4QP9,,,,,,,
,,,35X:A:401,valid,ic50,=,0.071,uM,CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4,
,,6Q7S,,,,,,,
,,,IPH:A:403,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:402,valid,,,,,c1ccc(cc1)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KE0,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6S9:A:401,valid,,,,,Cc1cc(ccn1)c2c3cnc(cc3[nH]n2)NC(=O)NCc4ccccc4,
,,6CPW,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F8V:A:403,valid,ic50,=,5.6,nM,CS[C@]1(CCN(C1)CC(=O)N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccc(cc7)F,
,,4XOY,,,,,,,
,,,DX4:A:401,valid,,,,,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6G9K,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ESK:A:404,valid,,,,,c1ccc(cc1)[C@@H](CO)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl,
,,3QYZ,,,,,,,
,,,BME:A:373,invalid,,,,,C(CS)O,
,,,DMS:A:360,invalid,,,,,CS(=O)C,
,,,DMS:A:361,invalid,,,,,CS(=O)C,
,,,DMS:A:362,invalid,,,,,CS(=O)C,
,,,DMS:A:363,invalid,,,,,CS(=O)C,
,,,DMS:A:364,invalid,,,,,CS(=O)C,
,,,DMS:A:365,invalid,,,,,CS(=O)C,
,,,DMS:A:366,invalid,,,,,CS(=O)C,
,,,DMS:A:367,invalid,,,,,CS(=O)C,
,,,DMS:A:368,invalid,,,,,CS(=O)C,
,,,DMS:A:369,invalid,,,,,CS(=O)C,
,,,DMS:A:370,invalid,,,,,CS(=O)C,
,,,SO4:A:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z8B:A:359,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N,
,,5BVF,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4VJ:A:401,valid,ic50,=,0.19,nM,c1cc(cc(c1)Cl)[C@@H](CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)N[C@H]5CC[C@H](C5)O,
,,6G9M,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ESW:A:404,valid,ic50,=,7.9,nM,CC(C)(c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl,
,,6QAH,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HVB:A:403,valid,,,,,CCC(=[NH2+])N,
,,,HVB:A:402,valid,,,,,CCC(=[NH2+])N,
,,6QA3,,,,,,,
,,,PZO:A:402,valid,,,,,c1c[nH]nc1,
,,,PZO:A:403,valid,,,,,c1c[nH]nc1,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XOZ,,,,,,,
,,,620:A:401,valid,,,,,c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HD7,,,,,,,
,,,38Z:A:401,valid,,,,,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XRJ,,,,,,,
,,,620:A:401,valid,,,,,c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OJJ,,,,,,,
,,,82A:A:360,valid,Ki,=,0.002,uM,c1cc(cc(c1)Cl)c2c[nH]nc2c3cc([nH]c3)C(=O)N[C@H](CO)c4ccc(c(c4)Cl)F,
,,,SO4:A:359,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q7K,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2AI:A:402,valid,,,,,c1cnc([nH]1)N,
,,4QTA,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,38Z:A:411,valid,Kd,=,0.233,uM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,6RQ4,,,,,,,
,,,KE8:A:402,valid,,,,,CC1(c2c(cc(s2)c3ccnc(n3)Nc4ccnn4C)C(=O)N1CCN5CCOCC5)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NHO,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XN:A:402,valid,ic50,<,0.0003,uM,Cc1cnc(nc1c2cc3c([nH]2)C[C@@H](N(C3=O)CCOC)C)Nc4ccnn4C,
,,2OJG,,,,,,,
,,,19A:A:360,valid,Ki,=,2.3,uM,CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3,
,,,SO4:A:359,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XP0,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,42A:A:404,valid,,,,,c1cc2c(c[nH]c2nc1)C#N,
,,4QP2,,,,,,,
,,,36R:A:401,valid,Kd,=,940,uM,c1cc2c(cc1Cl)nc(o2)N,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,5NHF,,,,,,,
,,,8X5:A:402,valid,ic50,<,0.00032,uM,c1ccc(cc1)CN2CCc3c(cc([nH]3)c4ccnc(n4)NC5CCOCC5)C2=O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5BUJ,,,,,,,
,,,4VB:A:401,valid,ic50,=,0.005,uM,c1cnccc1c2c3c(n[nH]2)CCN(C3)C4=CC(=O)NC=C4,
,,6G9J,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ERK:A:403,valid,ic50,=,4.1,nM,C[C@H](c1ccccc1)NC(=O)CN2Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl,
,,5BUI,,,,,,,
,,,4V9:A:402,valid,ic50,=,0.089,uM,c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,4QP7,,,,,,,
,,,363:B:401,valid,ic50,=,5.9,uM,c1c[nH]c2c1nc(cn2)c3c[nH]nc3,
,,,363:A:401,valid,ic50,=,5.9,uM,c1c[nH]c2c1nc(cn2)c3c[nH]nc3,
,,3ERK,,,,,,,
,,,SB4:A:800,valid,ic50,=,18,uM,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,6GDQ,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EVK:A:407,valid,,,,,CC(C)Nc1cc(c(cn1)Cl)c2cc([nH]c2)C(=O)N[C@H](CO)c3cccc(c3)Cl,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,5V60,,,,,,,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ACP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6QA1,,,,,,,
,,,HVK:A:405,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:404,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:406,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:407,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:408,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:403,valid,,,,,c1ccnc(c1)N,
,,,HVK:A:402,valid,,,,,c1ccnc(c1)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TVO,,,,,,,
,,,FRZ:A:1001,valid,Ki,=,0.14,uM,c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5nn4)N,
,,6G9A,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ESQ:A:404,valid,ic50,=,21,nM,c1cc2c(cc1c3c(cnc(n3)NC4CCOCC4)Cl)C(=O)N(C2)CCN5CCOCC5,
,,5BVD,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4VF:A:401,valid,ic50,=,0.16,nM,c1cc(cc(c1)Cl)[C@@H](CO)N2CCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5,
,,4ZZN,,,,,,,
,,,CQ8:A:1355,valid,ic50,=,0.26,uM,CNC(=O)c1ccccc1Nc2cc(ncc2Cl)NC3CCOCC3,
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SA0,,,,,,,
,,,NRA:A:361,valid,,,,,c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O,
,,,SO4:A:362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ERK,,,,,,,
,,,OLO:A:800,valid,ic50,=,27,uM,Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO,
,,,SO4:A:990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GJD,,,,,,,
,,,F0E:A:411,valid,ic50,=,0.022,uM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c(n[nH]6)c7ccnc(c7)C(=O)NCCCNC(=O)OC8CCCCCCC8,
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,5U6I,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,81Y:A:401,valid,,,,,CC(C)Oc1ccc2c(c1)c(n[nH]2)c3ccnc(c3)N4CCOCC4,
,,5NHV,,,,,,,
,,,8QB:A:402,valid,ic50,=,0.0028,uM,c1cnc(nc1c2cc3n(c2)CCNC3=O)NC4CCOCC4,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QAL,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HV2:A:405,valid,,,,,C1C(CS1(=O)=O)O,
,,,HV2:A:406,valid,,,,,C1C(CS1(=O)=O)O,
,,3I5Z,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z48:A:401,valid,Ki,=,2,nM,Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4,
,,6QA4,,,,,,,
,,,HRZ:A:403,valid,,,,,C1=CC(=O)NC=C1,
,,,HRZ:A:404,valid,,,,,C1=CC(=O)NC=C1,
,,,HRZ:A:402,valid,,,,,C1=CC(=O)NC=C1,
,,,HRZ:A:405,valid,,,,,C1=CC(=O)NC=C1,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4N0S,,,,,,,
,,,DHC:A:401,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NHP,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XK:A:403,valid,ic50,=,0.023,uM,Cn1c(ccn1)Nc2nccc(n2)c3cc4c(n3C)CCN(C4=O)CCOC,
,,3I60,,,,,,,
,,,E86:A:401,valid,Ki,<,2,nM,Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4Cl,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XP2,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TT4:A:401,valid,,,,,c1ccc(cc1)n2c(nc(n2)N)N,
,,1PME,,,,,,,
,,,SB2:A:1001,valid,Ki,=,0.76,nM,C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q7T,,,,,,,
,,,HOW:A:403,valid,,,,,c1conc1N,
,,,HOW:A:402,valid,,,,,c1conc1N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NHL,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8XB:A:402,valid,ic50,<,0.0003,uM,Cc1cnc(nc1c2cc3c([nH]2)C[C@H](N(C3=O)CCOC)C)Nc4ccnn4C,
,,5HD4,,,,,,,
,,,38Z:A:401,valid,,,,,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6G97,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EQZ:A:407,valid,ic50,=,4.2,nM,COCCN1Cc2ccc(cc2C1=O)c3c(cnc(n3)NC4CCOCC4)Cl,
,,6G92,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ERZ:A:404,valid,ic50,=,76000,nM,Cc1cnc(nc1)Nc2cnn(c2C)C,
,,5K4I,,,,,,,
,,,6QB:A:401,valid,ic50,=,3.1,nM,Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3TTI,,,,,,,
,,,GOL:A:466,invalid,,,,,C(C(CO)O)O,
,,,KBI:A:465,valid,ic50,=,0.006,uM,c1c(cc(c(c1F)Nc2nc3cnc(nc3n2[C@H]4CCOC4)NC5CCC(CC5)O)F)F,
,,3TTJ,,,,,,,
,,,JBI:A:465,valid,ic50,=,0.21,uM,COc1ccc(cc1)Nc2ncc3c(n2)n(c(n3)Nc4ccccc4F)C5CCCC5,
,,1JNK,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4WHZ,,,,,,,
,,,3NL:A:501,valid,ic50,<,1,nM,c1ccc(c(c1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4cnn(c4)[C@H]5CCNC5)Cl,
,,4H3B,,,,,,,
,,,VAL VAL ARG PRO GLY SER LEU ASP LEU PRO:B:341,valid,Kd,=,17.2,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CC(=O)[O-])CC(C)C)CO)CCC1)CCCNC(=[NH2+])N)C(C)C)C([NH3+])C(C)C,
,,,VAL VAL ARG PRO GLY SER LEU ASP LEU PRO:D:341,valid,Kd,=,17.2,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C=O)CCC2)CC(C)C)CC(=O)[O-])CC(C)C)CO)CCC1)CCCNC(=[NH2+])N)C(C)C)C([NH3+])C(C)C,
,,3KVX,,,,,,,
,,,FMY:A:403,valid,ic50,=,0.148,uM,c1cc(ccc1/N=C2/NC=CC(=N2)c3cc(cc(c3)F)N4CCOCC4)n5cnc(n5)N6CCOCC6,
,,4H39,,,,,,,
,,,PRO LYS ARG PRO THR THR LEU ASN LEU PHE:B:158,valid,Kd,=,0.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)CC(=O)N)CC(C)C)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCCC[NH3+])CCCNC(=[NH2+])N)CCC1)C(O)C,
,,4AWI,,,,,,,
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AQ2:A:1365,valid,ic50,=,1,uM,CC(C)c1cc2c(ccnc2[nH]1)c3ccc(cc3)S(=O)(=O)NC4CCS(=O)(=O)CC4,
,,2O0U,,,,,,,
,,,C0M:A:2000,valid,ic50,=,3.2,uM,c1ccc2c(c1)cccc2C(=O)Nc3c(c4c(s3)CN(CC4)C(=O)CCN5CCCCC5)C#N,
,,2P33,,,,,,,
,,,J07:A:507,valid,ic50,=,57,nM,CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)Cl,
,,2ZDU,,,,,,,
,,,446:A:901,valid,,,,,COC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)NC(=O)CCC(=O)O)Br)c4ccccc4,
,,2B1P,,,,,,,
,,,AIZ:A:501,valid,ic50,=,3,nM,CN(C)CCCC(=O)Nc1cc(cc(c1)C(=O)O)c2c3ccc(cc3[nH]n2)Nc4ccccc4Cl,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OK1,,,,,,,
,,,33A:A:1,valid,Ki,=,0.55,uM,c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl,
,,3OXI,,,,,,,
,,,PRO LYS ARG PRO THR THR LEU ASN LEU PHE:J:154,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)CC(=O)N)CC(C)C)C(O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCCC[NH3+])CCCNC(=[NH2+])N)CCC1)C(O)C,
,,,SYY:A:1,valid,ic50,=,2.2,uM,COC(=O)c1c(ccs1)NC(=O)Cc2cccs2,
,,3OY1,,,,,,,
,,,589:A:1,valid,ic50,=,0.016,uM,c1ccc2cc(ccc2c1)N3C(=NN(C3=O)C4CCOCC4)c5ccnc(c5)NC6CCCCC6,
,,6EMH,,,,,,,
,,,C15:B:504,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,C15:A:506,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,PEG:C:502,invalid,,,,,C(COCCO)O,
,,,PEG:D:502,invalid,,,,,C(COCCO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,,,BGE:C:503,valid,ic50,=,833,nM,Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4,
,,,BGE:B:502,valid,ic50,=,833,nM,Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4,
,,,BGE:D:503,valid,ic50,=,833,nM,Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4,
,,,BGE:A:504,valid,ic50,=,833,nM,Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:501,invalid,,,,,[Cl-],
,,,CL:D:501,invalid,,,,,[Cl-],
,,,BME:B:501,invalid,,,,,C(CS)O,
,,,BME:A:501,invalid,,,,,C(CS)O,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,2ZDT,,,,,,,
,,,46C:A:901,valid,,,,,CCC(=O)C1=C(c2cc(ccc2C(=O)N1Cc3ccc(cc3)C(=O)O)Cl)c4ccccc4,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,3ELJ,,,,,,,
,,,GS7:A:365,valid,,,,,COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C,
,,3FI2,,,,,,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,JK1:A:600,valid,ic50,=,0.025,uM,COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4,
,,,UNK UNK UNK UNK UNK UNK:A:500,invalid,,,,,,
,,4L7F,,,,,,,
,,,1V5:A:401,valid,ic50,=,160,nM,c1cc(ccc1C2(CC2)NC(=O)c3ccc4c(c3)n5ccnc5c(n4)NC6CCC(CC6)O)F,
,,6EQ9,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,BME:A:504,invalid,,,,,C(CS)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ACP:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,C15:A:506,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,2WAJ,,,,,,,
,,,SNB:A:1401,valid,ic50,=,0.398,uM,COc1cc2c(cc1Cl)C(=NCC2)c3cccc(c3)Br,
,,4QTD,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,ANP:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EPE:A:423,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:426,Part of Protein,,,,,[Mg+2],
,,,38Z:A:424,valid,ic50,=,1080,nM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,6EKD,,,,,,,
,,,BME:A:501,invalid,,,,,C(CS)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,B9K:A:503,valid,ic50,=,184,nM,Cc1c([nH]c(n1)SC)c2ccnc(c2)Nc3ccc(cc3)N4CCOCC4,
,,3G9L,,,,,,,
,,,J67:X:1,valid,Ki,=,0.74,uM,c1ccc(cc1)C=Cc2cccc3c2/C(=N/O)/C(=O)N3Cc4cc(cc5c4OCOC5)F,
,,4Y46,,,,,,,
,,,4F2:A:501,valid,ic50,=,11,nM,CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C4CCCC4,
,,1PMN,,,,,,,
,,,984:A:501,valid,ic50,=,7.1,nM,CCCn1c(c(nc1C2CCN(CC2)C)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CC5,
,,3FI3,,,,,,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,JK2:A:600,valid,ic50,=,12,nM,COc1cc(cc(c1OC)OC)NC(=O)c2cccc(c2)n3c4ccc(cc4cn3)Nc5ccccc5F,
,,2O2U,,,,,,,
,,,738:A:403,valid,ic50,=,0.4,uM,c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F,
,,4W4V,,,,,,,
,,,3H8:A:501,valid,ic50,=,866,nM,Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4Cl,
,,3DA6,,,,,,,
,,,BZ9:A:1,valid,,,,,Cc1cc(c2ccccc2c1Oc3c(cccn3)c4ccnc(n4)NC)Nc5[nH]c6ccccc6n5,
,,2R9S,,,,,,,
,,,255:A:502,valid,ic50,=,0.15,uM,CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2,
,,,255:B:501,valid,ic50,=,0.15,uM,CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2cc3c(cccc3Nc4ccccn4)nc2,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,TFA:A:601,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,TFA:B:602,invalid,,,,,C(=O)(C(F)(F)F)O,
,,,UNX:A:801,invalid,,,,,*,
,,,UNX:A:802,invalid,,,,,*,
,,,UNX:A:803,invalid,,,,,*,
,,,UNX:A:804,invalid,,,,,*,
,,,UNX:A:805,invalid,,,,,*,
,,,UNX:A:806,invalid,,,,,*,
,,,UNX:A:807,invalid,,,,,*,
,,,UNX:A:808,invalid,,,,,*,
,,,UNX:A:809,invalid,,,,,*,
,,,UNX:A:810,invalid,,,,,*,
,,,UNX:A:814,invalid,,,,,*,
,,,UNX:A:821,invalid,,,,,*,
,,,UNX:A:822,invalid,,,,,*,
,,,UNX:A:823,invalid,,,,,*,
,,,UNX:A:824,invalid,,,,,*,
,,,UNX:A:826,invalid,,,,,*,
,,,UNX:A:827,invalid,,,,,*,
,,,UNX:B:813,invalid,,,,,*,
,,,UNX:B:815,invalid,,,,,*,
,,,UNX:B:816,invalid,,,,,*,
,,,UNX:B:817,invalid,,,,,*,
,,,UNX:B:819,invalid,,,,,*,
,,,UNX:B:828,invalid,,,,,*,
,,,UNX:B:829,invalid,,,,,*,
,,,UNX UNX UNX:B:811,invalid,,,,,,
,,4Y5H,,,,,,,
,,,519:A:501,valid,ic50,=,15,nM,CC(C)NC(=O)NC1CCC(CC1)Nc2ncc3c(n2)N(C(=O)C=C3)C(C)C,
,,4X21,,,,,,,
,,,3WH:A:501,valid,Kd,=,36,nM,CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I,
,,,3WH:B:501,valid,Kd,=,36,nM,CCNC(=O)N1CCC(CC1)Nc2ncc(c(n2)c3c[nH]c4c3cccc4)I,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,3RTP,,,,,,,
,,,34I:A:1,valid,ic50,=,7,nM,c1ccc2c(c1)CCC(=O)N2CC(=O)Nc3c(c(cs3)C#N)c4[nH]ncn4,
,,3PZE,,,,,,,
,,,CFK:A:1,valid,,,,,c1ccc(cc1)c2cc(c(s2)C(=O)N)NC(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Z9L,,,,,,,
,,,880:A:502,valid,ic50,=,1.6,nM,CCCn1c(c(nc1C2CCNCC2)c3ccc(c(c3)Cl)Cl)c4ccnc(n4)NC5CCCCC5,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,UNX:A:505,invalid,,,,,*,
,,,UNX:A:503,invalid,,,,,*,
,,,UNX:A:504,invalid,,,,,*,
,,4W4Y,,,,,,,
,,,3HQ:A:501,valid,ic50,=,3034,nM,Cc1ccc(cc1)NC(=O)Nc2cnn(c2)c3cccc(c3)C(=O)Nc4ccnc(c4)C,
,,4W4W,,,,,,,
,,,3HJ:A:501,valid,ic50,=,6630,nM,Cc1cc(ccn1)NC(=O)c2cccc(c2)n3cc(cn3)NC(=O)Nc4ccccc4,
,,3G90,,,,,,,
,,,J72:X:1,valid,Ki,=,0.44,uM,c1cc2c(cc1F)/C(=NO)/C(=O)N2Cc3cc(cc4c3OCOC4)F,
,,1PMV,,,,,,,
,,,537:A:501,valid,ic50,=,150,nM,c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O,
,Family. Representative Entry is ,3GC8,,,,,,,
,,,B45:A:365,valid,,,,,CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F,
,,,B45:B:365,valid,,,,,CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:603,Part of Protein,,,,,[Na+],
,,,NI:B:602,Part of Protein,,,,,[Ni+2],
,,3GC9,,,,,,,
,,,B45:A:365,valid,,,,,CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F,
,,,B45:B:365,valid,,,,,CC(C)N1CCC(CC1)c2cc(c3c(c2)N(C(=O)NC3)c4c(cccc4Cl)Cl)c5ccc(cc5Cl)F,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4UX9,,,,,,,
,,,SO4:B:1364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:B:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5BYZ,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,4WE:A:401,valid,ic50,=,0.042,uM,Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)NCCN4CCCCC4)F,
,,4ZSL,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,4QZ:A:401,valid,,,,,C[C@@H](c1ccccc1)NC(=O)n2c(nc(n2)N)Nc3ccc(cc3)Cl,
,,6HKN,,,,,,,
,,,G9E:A:1001,valid,ic50,=,0.051,uM,COc1ccc2c(c1)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4N)OC(F)(F)F,
,,4ZSJ,,,,,,,
,,,4R0:A:405,valid,ic50,=,2.3,uM,Cc1cc(ccc1Cl)Nc2nc(nn2C(=O)NC(C)C)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4ZSG,,,,,,,
,,,4QX:A:406,valid,,,,,CC(C)NC(=O)n1c(nc(n1)N)Nc2ccc(cc2)Cl,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,6HKM,,,,,,,
,,,G92:A:1001,valid,ic50,=,270,nM,COc1cc2c(cc1OC)ncnc2C3CCN(CC3)C(=O)c4ccc(cc4)OC(F)(F)F,
,Family. Representative Entry is ,5AWM,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6YLC,,,,,,,
,,,OXW:C:401,valid,,,,,CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F,
,,,OXW:D:401,valid,,,,,CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F,
,,,OXW:B:401,valid,,,,,CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F,
,,,OXW:A:401,valid,,,,,CN1CCC(CC1)n2cc(cn2)Nc3ncc4c(n3)n(nn4)c5ccc(cc5C#N)F,
,Family. Representative Entry is ,4H3P,,,,,,,
,,,ANP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5EKO,,,,,,,
,,,N17:A:401,valid,ic50,=,15785,nM,Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4,
,,4EYM,,,,,,,
,,,0RX:A:401,valid,,,,,c1cc(ccc1NC(=O)c2ccnc(c2)N3CCOCC3)Oc4ccncc4,
,,4EYJ,,,,,,,
,,,N61:A:401,valid,,,,,CC(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Oc3ccncc3,
,Family. Representative Entry is ,4LOO,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,4LOQ,,,,,,,
,,,SB4:B:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:C:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:D:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,4LOP,,,,,,,
,,,SB4:B:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:C:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,SB4:D:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,TLA:A:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:402,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5O90,,,,,,,
,,,SB4:A:401,valid,,,,,c1cc(ccc1c2c(n(cn2)C3CCNCC3)c4ccnc(n4)N)F,
,Family. Representative Entry is ,6ZQS,,,,,,,
,,,3FF:A:400,valid,,,,,c1cc2c(cc1Nc3ccc(cc3F)F)CCc4ccc(cc4C2=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,4QTB,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,DMS:A:414,invalid,,,,,CS(=O)C,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:A:415,invalid,,,,,CS(=O)C,
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,38Z:B:412,valid,Kd,=,0.213,uM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,,38Z:A:418,valid,Kd,=,0.213,uM,c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CC[C@H](C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7,
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,2ZOQ,,,,,,,
,,,5ID:A:382,valid,ic50,=,0.9,uM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:B:382,valid,ic50,=,0.9,uM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,NA:A:381,Part of Protein,,,,,[Na+],
,,,NA:B:381,Part of Protein,,,,,[Na+],
,,,SO4:A:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GES,,,,,,,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,6H3:B:401,invalid,,,,,CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl,
,,,6H3:A:401,invalid,,,,,CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EWH:A:402,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4NC(=O)C=C)Cl,
,Family. Representative Entry is ,4H3Q,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3E7O,,,,,,,
,,,35F:A:1,valid,ic50,=,120,nM,c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5,
,,,35F:B:2,valid,ic50,=,120,nM,c1cc(cc(c1)NC(=O)c2ccco2)c3c4cc(ccc4[nH]n3)c5nc[nH]n5,
,,3NPC,,,,,,,
,,,B96:A:365,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5,
,,,B96:B:365,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5,
,Family. Representative Entry is ,3PTG,,,,,,,
,,,932:A:1,valid,ic50,=,25,nM,Cc1csc(c1c2[nH]ncn2)NC(=O)CN3c4ccccc4CCC3=O,
1.1.1.169,,,,,,,,,
,Family. Representative Entry is ,4YCA,,,,,,,
,,,NDP:A:800,valid,Kd,=,117,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:800,valid,Kd,=,117,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1YJQ,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,MPD:A:601,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAP:A:501,valid,Kd,=,6.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1YON,,,,,,,
,,,A2R:A:501,valid,Kd,=,61,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)OP(=O)(O)O)N,
,,2OFP,,,,,,,
,,,ACT:B:801,invalid,,,,,CC(=O)[O-],
,,,DIO:A:701,invalid,,,,,C1COCCO1,
,,,DIO:A:702,invalid,,,,,C1COCCO1,
,,,DIO:B:703,invalid,,,,,C1COCCO1,
,,,DIO:B:704,invalid,,,,,C1COCCO1,
,,,NAP:A:304,valid,Kd,=,9.4,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:802,valid,Kd,=,9.4,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PAF:A:602,valid,Kd,=,160,uM,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,PAF:B:601,valid,Kd,=,160,uM,CC(C)(CO)[C@H](C(=O)[O-])O,
,Family. Representative Entry is ,5AYV,,,,,,,
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,MPD:B:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,KPL:B:402,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,COA:B:401,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5HWS,,,,,,,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5X20,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,AOT:B:402,valid,,,,,c1ccc(cc1)NC(=O)C(=O)O,
,,,AOT:A:402,valid,,,,,c1ccc(cc1)NC(=O)C(=O)O,
,,,AOT:E:402,valid,,,,,c1ccc(cc1)NC(=O)C(=O)O,
,,,AOT:D:402,valid,,,,,c1ccc(cc1)NC(=O)C(=O)O,
,,,AOT:C:402,valid,,,,,c1ccc(cc1)NC(=O)C(=O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.13.12.3,,,,,,,,,
,Family. Representative Entry is ,4IV9,,,,,,,
,,,TSR:B:602,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)N,
,,,TSR:A:602,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)N,
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.2.1.18,,,,,,,,,
,Family. Representative Entry is ,4KS1,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,2H8:A:502,valid,Ki,=,1.5,nM,CCC(CC)O[C@@H]1CC(=C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2HTQ,,,,,,,
,,,ZMR:A:472,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,2HT5,,,,,,,
,,,CA:A:995,Part of Protein,,,,,[Ca+2],
,,,NDG:A:472,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,3O9J,,,,,,,
,,,CA:A:995,Part of Protein,,,,,[Ca+2],
,,,NDG:A:479,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,RP6:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C(=C(O[C@H]1C([C@@H](CO)O)O)C(=O)O)CC=C)O,
,,2HTU,,,,,,,
,,,BCZ:A:801,valid,,,,,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,4D8S,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,0HX:A:502,valid,ic50,=,0.32,uM,CCC(CC)O[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)O)NC(=O)C,
,,2HTR,,,,,,,
,,,DAN:A:1850,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,3O9K,,,,,,,
,,,ETT:A:1,valid,,,,,Cc1ccc(cc1)/C=C/CC2=C(O[C@H]([C@@H]([C@H]2O)NC(=O)C)C([C@@H](CO)O)O)C(=O)O,
,,4M3M,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,22N:A:501,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@@H]1NC(=O)C)N)C(=O)O,
,,4KS4,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,1SN:A:501,valid,Ki,=,72,nM,CC[C@H](c1cn(nn1)[C@H]2C=C(C[C@H]([C@@H]2NC(=O)C)OC(CC)CC)C(=O)O)O,
,,4MJU,,,,,,,
,,,27S:A:501,valid,,,,,CCC(CC)O[C@@H]1CC(=C[C@@]2([C@H]1NC(=O)C)C(=O)N=C(S2)N)C(=O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,2HT8,,,,,,,
,,,G39:A:800,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,Family. Representative Entry is ,4MWV,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,BCZ:A:513,valid,ic50,=,0.4,nM,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,1F8E,,,,,,,
,,,49A:A:0,valid,Ki,=,15,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)N,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:A:476,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,4MWW,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,G39:A:513,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,2QWG,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G28:A:800,valid,ic50,=,230,uM,CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1INY,,,,,,,
,,,CA:A:479,Part of Protein,,,,,[Ca+2],
,,,EQP:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,MAN MAN:B:5,Part of Protein,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,NAG:A:470,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:471,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,1F8B,,,,,,,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,DAN:A:0,valid,Ki,=,4,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,1XOE,,,,,,,
,,,ABX:A:500,valid,ic50,=,41,nM,CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C(=O)OC)NC(=O)C,
,,,NAG:A:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4MWX,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,ZMR:A:513,valid,ic50,=,75.7,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,2QWC,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,DAN:A:800,valid,Ki,=,280,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2QWJ,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G28:A:800,valid,ic50,=,0.23,uM,CCN(CC)C(=O)[C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N)NC(=O)C,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2QWI,,,,,,,
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G20:A:800,valid,Ki,=,2.16,uM,[H]/N=C(/N)N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O,
,,,NAG:A:476,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:477,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4MWY,,,,,,,
,,,LNV:A:513,valid,ic50,=,89.6,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,1L7G,,,,,,,
,,,BCZ:A:801,valid,,,,,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1BJI,,,,,,,
,,,CA:A:478,Part of Protein,,,,,[Ca+2],
,,,DPC:A:479,valid,ic50,=,0.002,uM,CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C,
,,,NAG:A:476,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:477,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1F8D,,,,,,,
,,,9AM:A:0,valid,Ki,=,400,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CN)O)O)C(=O)O)O,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,2QWE,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZMR:A:800,valid,Ki,=,0.033,uM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,4MWQ,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,G39:A:513,valid,ic50,=,0.79,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,1NNC,,,,,,,
,,,CA:A:478,Part of Protein,,,,,[Ca+2],
,,,MAN:A:475,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:476,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:477,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,ZMR:A:479,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,4MX0,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,BCZ:A:513,valid,ic50,=,184.7,nM,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,2QWB,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SIA:A:800,valid,Ki,=,1820,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:801,valid,Ki,=,1820,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,2QWK,,,,,,,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G39:A:800,valid,ic50,=,0.002,uM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2QWF,,,,,,,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G20:A:800,valid,Ki,=,2.16,uM,[H]/N=C(/N)N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N(C)CCC)C(=O)O,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1MWE,,,,,,,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:A:478,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:480,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,SIA:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:2,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4MWR,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,ZMR:A:513,valid,ic50,=,0.41,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,1L7F,,,,,,,
,,,BCZ:A:801,valid,,,,,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1F8C,,,,,,,
,,,4AM:A:4,valid,Ki,=,0.04,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N,
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,4MWU,,,,,,,
,,,LNV:A:513,valid,ic50,=,3.24,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG:A:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,5JYY,,,,,,,
,,,6PY:A:513,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC(=O)NCCOC)C(=O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:512,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,2QWD,,,,,,,
,,,4AM:A:800,valid,Ki,=,14,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2QWH,,,,,,,
,,,CA:A:989,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,G39:A:800,valid,ic50,=,13,uM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:478,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4WEG,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:513,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,DF4:A:514,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O,
,,,SFJ:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,FSI:A:515,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O,
,,4DGR,,,,,,,
,,,3LV:A:488,valid,ic50,=,9.1,uM,CCCN(CCC)Cc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O,
,,,BGC:A:484,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:486,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:487,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:490,Part of Protein,,,,,[Ca+2],
,,,CA:A:491,Part of Protein,,,,,[Ca+2],
,,,GLC:A:485,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,K:A:492,invalid,,,,,[K+],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,PO4:A:489,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L7H,,,,,,,
,,,BCZ:A:801,valid,,,,,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:A:999,Part of Protein,,,,,[Ca+2],
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1146,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,1NMB,,,,,,,
,,,CA:N:478,Part of Protein,,,,,[Ca+2],
,,,NAG:N:476,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:N:477,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,2BF6,,,,,,,
,,,CA:A:1693,Part of Protein,,,,,[Ca+2],
,,,CA:A:1694,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1695,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1696,invalid,,,,,C(C(CO)O)O,
,,,SIA:A:1692,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,2VK6,,,,,,,
,,,CA:A:2691,Part of Protein,,,,,[Ca+2],
,,,DAN:A:2692,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,MG:A:2693,Part of Protein,,,,,[Mg+2],
,,,MG:A:2694,Part of Protein,,,,,[Mg+2],
,,,MG:A:2695,Part of Protein,,,,,[Mg+2],
,,,MG:A:2696,Part of Protein,,,,,[Mg+2],
,,,PG4:A:2697,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3K37,,,,,,,
,,,BCZ:A:468,valid,Ki,=,1.2,nM,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,,BCZ:B:468,valid,Ki,=,1.2,nM,CCC(CC)[C@@H]([C@H]1[C@@H](C[C@@H]([C@H]1O)C(=O)O)NC(=N)N)NC(=O)C,
,,,CA:A:467,Part of Protein,,,,,[Ca+2],
,,,CA:B:467,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1INF,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:467,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ST4:A:471,valid,ic50,=,10,uM,CC(=O)Nc1ccc(cc1NC(N)N)C(=O)O,
,,1B9T,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:467,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RAI:A:468,valid,ic50,=,8,uM,c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)CO,
,,1IVB,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:467,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ST1:A:471,valid,,,,,CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-],
,,1A4Q,,,,,,,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,DPC:A:466,valid,ic50,=,3.6,uM,CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C,
,,,DPC:B:466,valid,ic50,=,3.6,uM,CCCN(CCc1ccccc1)C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)N)NC(=O)C,
,,,NAG:A:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1NSC,,,,,,,
,,,CA:A:468,Part of Protein,,,,,[Ca+2],
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:469,Part of Protein,,,,,[Ca+2],
,,,NAG:A:466,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:466,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:467,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:467,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,1A4G,,,,,,,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZMR:A:466,valid,ic50,=,0.004,uM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:466,valid,ic50,=,0.004,uM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,1INV,,,,,,,
,,,CA:A:468,Part of Protein,,,,,[Ca+2],
,,,CA:A:469,Part of Protein,,,,,[Ca+2],
,,,EQP:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,NAG:A:467,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1B9S,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,FDI:A:468,valid,ic50,>,667,uM,CCC(CC)C(=O)Nc1cc(ccc1NC(=O)C)C(=O)O,
,,,NAG:A:467,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1VCJ,,,,,,,
,,,IBA:A:1,valid,ic50,=,26,uM,CCC(CC)Nc1cc(ccc1N2C(=O)CC[C@@]2(CN)CO)C(=O)O,
,,1B9V,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:467,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RA2:A:468,valid,ic50,=,224,uM,CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)C(=O)O,
,,1NSD,,,,,,,
,,,CA:A:468,Part of Protein,,,,,[Ca+2],
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:469,Part of Protein,,,,,[Ca+2],
,,,DAN:A:467,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:467,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG:A:466,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:466,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2YA8,,,,,,,
,,,CL:A:1778,invalid,,,,,[Cl-],
,,,CL:B:1778,invalid,,,,,[Cl-],
,,,EDO:A:1780,invalid,,,,,C(CO)O,
,,,EDO:A:1781,invalid,,,,,C(CO)O,
,,,EDO:B:1779,invalid,,,,,C(CO)O,
,,,FMT:A:1779,invalid,,,,,C(=O)O,
,,,FMT:B:1780,invalid,,,,,C(=O)O,
,,,FMT:B:1781,invalid,,,,,C(=O)O,
,,,FMT:B:1782,invalid,,,,,C(=O)O,
,,,G39:A:1777,valid,Ki,=,1.77,uM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:1777,valid,Ki,=,1.77,uM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,2YA7,,,,,,,
,,,CL:A:1777,invalid,,,,,[Cl-],
,,,CL:B:1777,invalid,,,,,[Cl-],
,,,CL:C:1777,invalid,,,,,[Cl-],
,,,CL:D:1777,invalid,,,,,[Cl-],
,,,ZMR:A:1776,valid,Ki,=,0.72,mM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:1776,valid,Ki,=,0.72,mM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:C:1776,valid,Ki,=,0.72,mM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:D:1776,valid,Ki,=,0.72,mM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,2YA5,,,,,,,
,,,CL:A:1782,invalid,,,,,[Cl-],
,,,CL:B:1780,invalid,,,,,[Cl-],
,,,FMT:A:1779,invalid,,,,,C(=O)O,
,,,FMT:A:1780,invalid,,,,,C(=O)O,
,,,FMT:A:1781,invalid,,,,,C(=O)O,
,,,FMT:B:1778,invalid,,,,,C(=O)O,
,,,FMT:B:1779,invalid,,,,,C(=O)O,
,,,SIA:A:1778,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:1777,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,2YA6,,,,,,,
,,,CL:A:1779,invalid,,,,,[Cl-],
,,,CL:B:1778,invalid,,,,,[Cl-],
,,,DAN:A:1777,valid,Ki,=,2,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1777,valid,Ki,=,2,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,FMT:A:1778,invalid,,,,,C(=O)O,
,,,FMT:A:1780,invalid,,,,,C(=O)O,
,,,FMT:A:1781,invalid,,,,,C(=O)O,
,,,FMT:B:1779,invalid,,,,,C(=O)O,
,,,FMT:B:1780,invalid,,,,,C(=O)O,
,,7A5X,,,,,,,
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
,,,CL:B:804,invalid,,,,,[Cl-],
,,,CL:A:803,invalid,,,,,[Cl-],
,,,CL:B:805,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,R7H:A:801,valid,,,,,CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O,
,,,R7H:B:801,valid,,,,,CCOCCn1cc(nn1)CSC[C@H]([C@H]([C@H]2[C@@H]([C@H](CC(O2)C(=O)O)O)NC(=O)C)O)O,
,,2VVZ,,,,,,,
,,,CL:A:1793,invalid,,,,,[Cl-],
,,,DAN:A:1792,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1792,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,3H73,,,,,,,
,,,DAN:A:900,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:901,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,3H72,,,,,,,
,,,SIA:A:900,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:901,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,1WCQ,,,,,,,
,,,DAN:A:1651,valid,Ki,=,0.55,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1652,valid,Ki,=,0.55,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:C:1651,valid,Ki,=,0.55,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GOL:A:1649,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1650,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1649,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1650,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1651,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1649,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1650,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1648,Part of Protein,,,,,[Na+],
,,,NA:B:1648,Part of Protein,,,,,[Na+],
,,,NA:C:1648,Part of Protein,,,,,[Na+],
,,2BER,,,,,,,
,,,NA:A:1649,Part of Protein,,,,,[Na+],
,,,SLB:A:1648,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,1W8N,,,,,,,
,,,DAN:A:1649,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GAL:A:1648,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1650,Part of Protein,,,,,[Na+],
,,2BZD,,,,,,,
,,,GAL:A:1649,valid,Kd,~,1,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:1649,valid,Kd,~,1,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:1649,valid,Kd,~,1,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:1650,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1650,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1650,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1648,Part of Protein,,,,,[Na+],
,,,NA:B:1648,Part of Protein,,,,,[Na+],
,,,NA:C:1648,Part of Protein,,,,,[Na+],
,,1W8O,,,,,,,
,,,CIT:A:1649,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:1650,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1651,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1652,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1653,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1654,Part of Protein,,,,,[Na+],
,,,GLC GAL:B:1,valid,,,,,,
,,1EUU,,,,,,,
,,,GAL:A:2,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4H53,,,,,,,
,,,GOL:D:609,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SLB:B:512,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:C:512,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:A:512,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN:N:1,invalid,,,,,,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:F:1,invalid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:I:1,invalid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:L:1,invalid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4K1I,,,,,,,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,G39:A:507,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:507,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,4K1J,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,G39:A:508,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:508,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4K1K,,,,,,,
,,,G39:A:509,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:510,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,1ING,,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:470,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN BMA MAN MAN:I:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,ST5:A:471,valid,,,,,CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O,
,,,ST5:B:471,valid,,,,,CC(=O)Nc1ccc(cc1NC(=O)CO)C(=O)O,
,,,NAG NAG BMA FUL:H:1,Part of Protein,,,,,,
,,,NAG NAG BMA FUC:D:1,Part of Protein,,,,,,
,,1INH,,,,,,,
,,,NAG NAG MAN BMA MAN BMA:E:1,Part of Protein,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:488,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:I:1,Part of Protein,,,,,,
,,,ST6:A:471,valid,,,,,CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O,
,,,ST6:B:489,valid,,,,,CC(=O)Nc1ccc(cc1NC(=O)C[NH3+])C(=O)O,
,,1IVF,,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:470,Part of Protein,,,,,[Ca+2],
,,,DAN:A:471,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:471,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:I:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:F:1,Part of Protein,,,,,,
,,1IVE,,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:470,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:I:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NDG:F:1,Part of Protein,,,,,,
,,,NAG NDG:J:1,Part of Protein,,,,,,
,,,ST3:A:471,valid,,,,,CC(=O)Nc1ccc(cc1N)C(=O)O,
,,,ST3:B:471,valid,,,,,CC(=O)Nc1ccc(cc1N)C(=O)O,
,,1INX,,,,,,,
,,,CA:A:478,Part of Protein,,,,,[Ca+2],
,,,EQP:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,NAG:A:470,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:471,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:477,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,Part of Protein,,,,,,
,,1INW,,,,,,,
,,,AXP:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:470,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:471,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:477,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,2BAT,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NAG:A:470,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:484,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA MAN NAG NGK:B:1,Part of Protein,,,,,,
,,,SIA:A:600,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,1IVC,,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:470,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:I:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,ST2:A:471,valid,,,,,CC(=O)Nc1c(cc(cc1O)C(=O)O)N,
,,,ST2:B:471,valid,,,,,CC(=O)Nc1c(cc(cc1O)C(=O)O)N,
,,1IVD,,,,,,,
,,,CA:A:470,Part of Protein,,,,,[Ca+2],
,,,CA:B:470,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:I:1,Part of Protein,,,,,,
,,,NAG NAG MAN BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,ST1:A:471,valid,,,,,CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-],
,,,ST1:B:471,valid,,,,,CC(=O)Nc1c(cc(cc1O)C(=O)O)[N+](=O)[O-],
,Family. Representative Entry is ,6S0E,,,,,,,
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,DAN:B:607,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:A:609,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,TRS:A:610,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6S00,,,,,,,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,SLB:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:809,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,PG4:B:808,invalid,,,,,C(COCCOCCOCCO)O,
,,6S0F,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,KDN:A:610,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,KDN:B:609,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,SCN:A:602,invalid,,,,,C(#N)[S-],
,,,SCN:A:606,invalid,,,,,C(#N)[S-],
,,,SCN:B:604,invalid,,,,,C(#N)[S-],
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,TRS:A:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5KV9,,,,,,,
,,,NAG NAG:A:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,I57:B:605,valid,ic50,=,1.4,uM,CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3,
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,1V3C,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2001,Part of Protein,,,,,[Ca+2],
,,,NAG:A:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5231,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SLB:A:3215,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:4215,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6C0M,,,,,,,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,8LM:A:610,valid,ic50,=,31.8,uM,CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O,
,,,8LM:B:610,valid,ic50,=,31.8,uM,CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O,
,,,8LM:A:611,valid,ic50,=,31.8,uM,CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,1V3D,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2001,Part of Protein,,,,,[Ca+2],
,,,DAN:A:1191,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:2191,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG:A:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5231,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5231,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KV8,,,,,,,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,BMA:A:604,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:604,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CIT:A:611,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,6Y6:B:606,valid,ic50,=,14.5,uM,CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC,
,,,6Y6:A:606,valid,ic50,=,14.5,uM,CC(C)C(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)COC,
,,,MAN:B:612,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,4WEF,,,,,,,
,,,DF4:B:611,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O,
,,,DF4:A:610,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H](C(=[O+][C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])F)O,
,,,SFJ:A:612,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,SFJ:B:612,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,SFJ:A:611,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,SO4:B:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FSI:B:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O,
,,,FSI:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O,
,,,NAG NAG BMA BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:619,Part of Protein,,,,,[Ca+2],
,,,CA:B:619,Part of Protein,,,,,[Ca+2],
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,1V3E,,,,,,,
,,,CA:A:4001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2001,Part of Protein,,,,,[Ca+2],
,,,NAG:A:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3081,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5231,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZMR:A:1200,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:2200,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,Family. Representative Entry is ,1USR,,,,,,,
,,,CA:A:1574,Part of Protein,,,,,[Ca+2],
,,,CA:B:1573,Part of Protein,,,,,[Ca+2],
,,,DAN:A:1572,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1570,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NDG:A:1573,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SIA:B:1572,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,WIA SIA:C:1,valid,,,,,S(CC1C(O)C(O)C(O)C(OC)O1)C1(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1,
,,1E8V,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,DAN:A:1571,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1570,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG:A:1572,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1573,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:841,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1E8U,,,,,,,
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1572,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1573,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1574,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1575,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SLB:A:1570,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:1573,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3TI8,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,LNV:A:901,valid,ic50,=,0.9,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:B:901,valid,ic50,=,0.9,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4QN5,,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:605,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,3SAN,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:472,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:472,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZMR:A:901,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:901,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,Family. Representative Entry is ,6WZY,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:102,invalid,,,,,C(COCCO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,PO4:B:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER GLY PRO ASP ASN GLY ALA VAL ALA VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C([NH3+])CO)CCC1)CC(=O)[O-])CC(=O)N)C)C(C)C)C)C(C)C,
,Family. Representative Entry is ,3CKZ,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,ZMR:A:469,valid,Ki,=,0.19,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,5NZF,,,,,,,
,,,NAG:D:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,G39:C:503,valid,Ki,=,94000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:503,valid,Ki,=,94000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:503,valid,Ki,=,94000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:503,valid,Ki,=,94000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:506,invalid,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NA:D:514,invalid,,,,,[Na+],
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,5NZE,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:515,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,G39:B:503,valid,Kd,=,410,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:503,valid,Kd,=,410,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,6G02,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EF8:B:503,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N,
,,,EF8:A:502,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OCCCCCCN=[N+]=N,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,5NZ4,,,,,,,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,CA:B:510,invalid,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,G39:B:503,valid,Kd,=,520,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:503,valid,Kd,=,520,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2HU4,,,,,,,
,,,G39:A:800,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:801,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:C:802,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:803,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:E:804,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:F:805,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:G:806,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:H:807,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,6G01,,,,,,,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,EEW:B:503,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC,
,,,EEW:A:503,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)P(=O)(O)OC,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6HP0,,,,,,,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:C:516,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:C:515,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:H:1,invalid,,,,,,
,,,NAG NAG FUC:G:1,invalid,,,,,,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:513,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:D:514,invalid,,,,,C(COCCOCCO)O,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:J:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,GJT:C:503,valid,Ki,=,470,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O,
,,,GJT:B:503,valid,Ki,=,470,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O,
,,,GJT:A:503,valid,Ki,=,470,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O,
,,,GJT:D:503,valid,Ki,=,470,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)n2cc(nn2)CO)C(=O)O,
,,,NAG NAG FUC BMA MAN MAN:I:1,invalid,,,,,,
,,3TI6,,,,,,,
,,,ACT:A:471,invalid,,,,,CC(=O)[O-],
,,,ACT:A:472,invalid,,,,,CC(=O)[O-],
,,,ACT:A:474,invalid,,,,,CC(=O)[O-],
,,,ACT:B:471,invalid,,,,,CC(=O)[O-],
,,,ACT:B:472,invalid,,,,,CC(=O)[O-],
,,,ACT:B:473,invalid,,,,,CC(=O)[O-],
,,,ACT:B:474,invalid,,,,,CC(=O)[O-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,G39:A:801,valid,ic50,=,0.54,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:801,valid,ic50,=,0.54,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:473,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3TI3,,,,,,,
,,,ACT:A:472,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1,invalid,,,,,CC(=O)[O-],
,,,ACT:B:472,invalid,,,,,CC(=O)[O-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:471,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:471,invalid,,,,,C(C(CO)O)O,
,,,LNV:A:801,valid,ic50,=,1.83,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,LNV:B:801,valid,ic50,=,1.83,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O,
,,,NAG:A:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3TI5,,,,,,,
,,,ACT:A:471,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1,invalid,,,,,CC(=O)[O-],
,,,ACT:B:471,invalid,,,,,CC(=O)[O-],
,,,ACT:B:472,invalid,,,,,CC(=O)[O-],
,,,ACT:B:474,invalid,,,,,CC(=O)[O-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:472,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:473,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZMR:A:1002,valid,ic50,=,1.11,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:1002,valid,ic50,=,1.11,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,3CL0,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,G39:A:800,valid,Ki,=,84.8,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,4B7R,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,EPE:A:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,G39:A:801,valid,Ki,=,0.23,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:801,valid,Ki,=,0.23,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:C:801,valid,Ki,=,0.23,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:801,valid,Ki,=,0.23,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:C:1386,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1088,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1235,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1088,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1146,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1235,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1088,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1146,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1235,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1088,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1146,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1235,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3TI4,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,ACT:A:471,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1,invalid,,,,,CC(=O)[O-],
,,,ACT:B:471,invalid,,,,,CC(=O)[O-],
,,,ACT:B:474,invalid,,,,,CC(=O)[O-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,GOL:B:472,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:473,invalid,,,,,C(C(CO)O)O,
,,,LVO:A:801,valid,ic50,=,947,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,LVO:B:801,valid,ic50,=,947,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C(=O)O,
,,,NAG:A:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2HTY,,,,,,,
,,,CA:A:991,Part of Protein,,,,,[Ca+2],
,,,CA:B:992,Part of Protein,,,,,[Ca+2],
,,,CA:C:993,Part of Protein,,,,,[Ca+2],
,,,CA:D:994,Part of Protein,,,,,[Ca+2],
,,,CA:E:995,Part of Protein,,,,,[Ca+2],
,,,CA:F:996,Part of Protein,,,,,[Ca+2],
,,,CA:G:997,Part of Protein,,,,,[Ca+2],
,,,CA:H:998,Part of Protein,,,,,[Ca+2],
,,,NAG:E:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:G:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:H:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,5NWE,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,G39:C:503,valid,Kd,=,13200,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:503,valid,Kd,=,13200,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:503,valid,Kd,=,13200,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:503,valid,Kd,=,13200,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG NAG FUC BMA MAN:E:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5NZN,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,G39:C:503,valid,Ki,=,220000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:503,valid,Ki,=,220000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:D:503,valid,Ki,=,220000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:503,valid,Ki,=,220000,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG NAG FUC BMA:E:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3B7E,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:A:1006,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1000,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ZMR:A:1001,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:B:1002,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,Family. Representative Entry is ,1Z4V,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,DAN:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1Z4X,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLC GAL SIA:D:1,valid,,,,,,
,,1Z4Z,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,DAN:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2VW1,,,,,,,
,,,DAN:A:1000,valid,Ki,=,0.3,mM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GOL:A:1698,invalid,,,,,C(C(CO)O)O,
,,4FPE,,,,,,,
,,,0H9:A:701,valid,,,,,COc1ccc(cc1)CNCCS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,4FPH,,,,,,,
,,,0V7:A:701,valid,,,,,c1cc(cc(c1)F)CNCCS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,2JKB,,,,,,,
,,,EDO:A:1699,invalid,,,,,C(CO)O,
,,,EDO:A:1700,invalid,,,,,C(CO)O,
,,,EDO:A:1701,invalid,,,,,C(CO)O,
,,,EDO:A:1702,invalid,,,,,C(CO)O,
,,,EDO:A:1703,invalid,,,,,C(CO)O,
,,,EDO:A:1704,invalid,,,,,C(CO)O,
,,,SKD:A:1698,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O,
,,4FPF,,,,,,,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,JKK:A:701,valid,ic50,=,38.9,uM,c1cc(cc(c1)Cl)CNCCS(=O)(=O)O,
,,4FOQ,,,,,,,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,,TAU:A:701,valid,,,,,C(CS(=O)(=O)O)N,
,,4FPC,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,MFY:A:701,valid,,,,,c1cc(ccc1CNCCS(=O)(=O)O)Cl,
,,4FOY,,,,,,,
,,,D53:A:701,valid,,,,,c1ccc(cc1)CNCCS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,4FPL,,,,,,,
,,,7HV:A:701,valid,,,,,c1cc(c(cc1CNCCS(=O)(=O)O)Cl)Cl,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,4FOW,,,,,,,
,,,A20:A:701,valid,,,,,C(CN)CS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,4FPJ,,,,,,,
,,,D8I:A:701,valid,,,,,COc1cccc(c1)CNCCS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,4FPK,,,,,,,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,IJ1:A:701,valid,ic50,=,57.4,uM,Cc1cccc(c1)CNCCS(=O)(=O)O,
,,4FQ4,,,,,,,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,IJ4:A:701,valid,,,,,Cc1cc(ccc1F)CNCCS(=O)(=O)O,
,,4FPY,,,,,,,
,,,0V8:A:701,valid,,,,,c1cc(cc(c1)Br)CNCCS(=O)(=O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,4FP2,,,,,,,
,,,IJ6:A:701,valid,,,,,C1CCC(CC1)CNCCS(=O)(=O)O,
,Family. Representative Entry is ,1N1V,,,,,,,
,,,DAN:A:670,valid,Ki,=,140,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N1T,,,,,,,
,,,DAN:A:700,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CPZ,,,,,,,
,,,ZMR:B:1471,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:F:1470,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:H:1470,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:E:1471,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:D:1471,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:A:1471,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:G:1471,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:C:1470,valid,Ki,=,20.85,nM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,CA:A:1466,Part of Protein,,,,,[Ca+2],
,,,CA:F:1466,Part of Protein,,,,,[Ca+2],
,,,CA:B:1466,Part of Protein,,,,,[Ca+2],
,,,CA:C:1466,Part of Protein,,,,,[Ca+2],
,,,CA:E:1466,Part of Protein,,,,,[Ca+2],
,,,CA:H:1466,Part of Protein,,,,,[Ca+2],
,,,CA:G:1466,Part of Protein,,,,,[Ca+2],
,,,CA:D:1466,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:C:1469,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:1470,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1470,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1470,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1469,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1470,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1470,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,EDO:D:1472,invalid,,,,,C(CO)O,
,,4CPN,,,,,,,
,,,ZMR:B:700,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,ZMR:A:700,valid,,,,,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:A:1467,invalid,,,,,C(CO)O,
,,,EDO:B:1467,invalid,,,,,C(CO)O,
,,,EDO:B:1469,invalid,,,,,C(CO)O,
,,,EDO:A:1466,invalid,,,,,C(CO)O,
,,,EDO:B:1466,invalid,,,,,C(CO)O,
,,,EDO:B:1468,invalid,,,,,C(CO)O,
,,,EDO:B:1470,invalid,,,,,C(CO)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,NAG:B:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4CPY,,,,,,,
,,,EDO:A:1481,invalid,,,,,C(CO)O,
,,,EDO:A:1473,invalid,,,,,C(CO)O,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1471,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1476,invalid,,,,,C(CO)O,
,,,EDO:B:1476,invalid,,,,,C(CO)O,
,,,EDO:A:1471,invalid,,,,,C(CO)O,
,,,EDO:B:1474,invalid,,,,,C(CO)O,
,,,EDO:A:1477,invalid,,,,,C(CO)O,
,,,EDO:B:1475,invalid,,,,,C(CO)O,
,,,EDO:A:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,EDO:B:1472,invalid,,,,,C(CO)O,
,,,EDO:A:1475,invalid,,,,,C(CO)O,
,,,EDO:B:1473,invalid,,,,,C(CO)O,
,,,EDO:A:1474,invalid,,,,,C(CO)O,
,,,CA:A:1466,Part of Protein,,,,,[Ca+2],
,,,CA:B:1466,Part of Protein,,,,,[Ca+2],
,,,G39:B:1470,valid,Ki,=,491.35,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:1470,valid,Ki,=,491.35,nM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,NAG:B:1469,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1469,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2SIM,,,,,,,
,,,DAN:A:800,valid,Ki,=,0.38,mM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,1DIM,,,,,,,
,,,EQP:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,K:A:690,Part of Protein,,,,,[K+],
,,1DIL,,,,,,,
,,,AXP:A:384,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,EQP:A:383,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)P(=O)(O)O)O,
,,,K:A:690,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,2W68,,,,,,,
,,,CA:A:1211,invalid,,,,,[Ca+2],
,,,BGC GAL SIA:F:1,valid,Kd,=,18,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:E:1,valid,Kd,=,18,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:D:1,valid,Kd,=,18,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6QZH,,,,,,,
,,,JLW:A:1502,valid,Kd,=,3,nM,Cc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C,
,,,PGE:A:1501,invalid,,,,,C(COCCOCCO)O,
,,,TAR:A:1505,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:1504,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,NA:A:1503,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1W0O,,,,,,,
,,,CA:A:1779,Part of Protein,,,,,[Ca+2],
,,,CA:A:1780,Part of Protein,,,,,[Ca+2],
,,,CA:A:1781,Part of Protein,,,,,[Ca+2],
,,,CA:A:1782,Part of Protein,,,,,[Ca+2],
,,,DAN:A:1778,valid,Kd,~,37,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,SIA:A:1783,valid,Kd,~,30,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6EKU,,,,,,,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:909,invalid,,,,,C(COCCO)O,
,,,NA:A:908,Part of Protein,,,,,[Na+],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,ZMR:A:901,valid,ic50,=,52,uM,[H]/N=C(N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,CA:A:906,Part of Protein,,,,,[Ca+2],
,,1W0P,,,,,,,
,,,CA:A:1779,Part of Protein,,,,,[Ca+2],
,,,CA:A:1780,Part of Protein,,,,,[Ca+2],
,,,CA:A:1781,Part of Protein,,,,,[Ca+2],
,,,CA:A:1782,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1778,invalid,,,,,C(C(CO)O)O,
,,,SIA:A:1784,valid,Kd,~,30,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,TRS:A:1783,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6EKS,,,,,,,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,G39:A:908,valid,ic50,=,144,uM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,Family. Representative Entry is ,2XZI,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,KDM:A:500,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,KDM:A:501,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,KDM:B:500,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,KDM:B:501,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NO2:A:505,invalid,,,,,N(=O)[O-],
,,2XZJ,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,KFN:A:503,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,KFN:B:503,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)O)[C@@H]([C@@H](CO)O)O)C(=O)O,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,NA:B:500,Part of Protein,,,,,[Na+],
,,2XZK,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,FKD:A:500,Part of Protein,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O,
,,,FKD:B:500,Part of Protein,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@](O1)(C(=O)O)O)F)O)O)O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,K99:A:501,valid,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O,
,,,K99:A:502,valid,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O,
,,,K99:B:501,valid,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O,
,,,K99:B:502,valid,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O,
,,,K99:B:509,valid,,,,,C([C@H]([C@H]([C@H]1[C@@H]([C@H]([C@H]([C@@](O1)(C(=O)O)F)F)O)O)O)O)O,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NO3:A:504,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,1EUS,,,,,,,
,,,DAN:A:800,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,Family. Representative Entry is ,4X6K,,,,,,,
,,,3XR:A:802,valid,ic50,=,0.00487,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](C[NH2+]1)C(=O)O)O)O,
,,,ACE:A:801,invalid,,,,,CC=O,
,,4X47,,,,,,,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DAN:A:801,valid,ic50,=,1.41,mM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,4X4A,,,,,,,
,,,SKD:A:801,valid,Ki,=,2.37,mM,CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,ACE:A:806,invalid,,,,,CC=O,
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4X49,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,ACE:A:809,invalid,,,,,CC=O,
,,,ACE:A:808,invalid,,,,,CC=O,
,,,ACE:A:807,invalid,,,,,CC=O,
,,,G39:A:801,valid,ic50,=,0.0296,mM,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,Family. Representative Entry is ,1MS9,,,,,,,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3PJQ,,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,,1S0J,,,,,,,
,,,MUS:A:700,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O,
,,1S0I,,,,,,,
,,,GLC GAL SIA:B:1,valid,,,,,,
,,1MS8,,,,,,,
,,,DAN:A:700,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:701,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,1MS0,,,,,,,
,,,DAN:A:700,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:701,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,7CM1,,,,,,,
,,,G39:A:602,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:B:602,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4YZ5,,,,,,,
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DAN:A:1002,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:802,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GLC GAL SIA:C:1,valid,Kd,=,1.48,mM,,
,,,GLC GAL SIA:D:1,valid,Kd,=,1.48,mM,,
,,4YZ2,,,,,,,
,,,DAN:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YW5,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,G39:B:801,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,G39:A:801,valid,,,,,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,4YW2,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GAL SIA:C:1,valid,Kd,=,1.6,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:D:1,valid,Kd,=,1.6,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,5F9T,,,,,,,
,,,SFJ:B:803,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,SFJ:A:802,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,FSI:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O,
,,,FSI:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)F)O,
,,4YW3,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DAN:B:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,SIA:B:802,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:802,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4YW1,,,,,,,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,PEG:B:804,invalid,,,,,C(COCCO)O,
,,,SIA:A:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:802,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DAN:B:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,4YZ4,,,,,,,
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SIA:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,4SLI,,,,,,,
,,,CNP:A:760,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(CC=C)C(=O)O)O,
,,3SLI,,,,,,,
,,,SKD:A:760,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O,
,,2SLI,,,,,,,
,,,SKD:A:760,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)O,
,,1SLI,,,,,,,
,,,DAN:A:760,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,Family. Representative Entry is ,6S04,,,,,,,
,,,NGE:B:705,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGE:A:704,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:B:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:B:702,invalid,,,,,CC(=O)[O-],
2.3.3.8,,,,,,,,,
,Family. Representative Entry is ,6HXM,,,,,,,
,,,COA FLC:A:1200,valid,,,,,SCCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C.O=C([O-])C(O)(CC(=O)[O-])CC(=O)[O-],
,,,COA:B:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FLC:B:1201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6HXL,,,,,,,
,,,COA:G:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:H:1201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FLC:G:1201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:1202,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1202,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,CAO:F:1200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,EDO:H:1202,invalid,,,,,C(CO)O,
,,,PEG:B:1203,invalid,,,,,C(COCCO)O,
,,,PEG:E:1203,invalid,,,,,C(COCCO)O,
,,,SO4:D:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HXK,,,,,,,
,,,PGE:B:1202,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:1201,invalid,,,,,C(COCCOCCO)O,
,,,FLC:B:1201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1200,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1200,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1202,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PEG:C:1203,invalid,,,,,C(COCCO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:D:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,1PE:C:1201,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5TE1,,,,,,,
,,,NA:B:903,Part of Protein,,,,,[Na+],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,7A2:A:901,valid,,,,,C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O,
,,,7A2:B:901,valid,,,,,C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O,
,,3PFF,,,,,,,
,,,ADP:A:833,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:830,Part of Protein,,,,,[Mg+2],
,,,MG:A:831,Part of Protein,,,,,[Mg+2],
,,,TLA:A:832,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,5TEQ,,,,,,,
,,,NA:B:903,Part of Protein,,,,,[Na+],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FLC:A:901,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:901,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,5TDF,,,,,,,
,,,ADE:A:907,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADP:A:902,valid,Ki,=,150,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,7A3:A:901,valid,,,,,C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O,
,,3MWD,,,,,,,
,,,CIT:A:426,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5TDE,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,2HP:A:502,valid,,,,,OP(=O)(O)[O-],
,,,2HP:B:902,valid,,,,,OP(=O)(O)[O-],
,,,2HP:B:901,valid,,,,,OP(=O)(O)[O-],
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5TDZ,,,,,,,
,,,ADP:A:902,valid,Ki,=,150,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,ADN:A:905,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,PGE:A:907,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:903,invalid,,,,,C(COCCOCCO)O,
,,,TLA:A:901,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TRS:B:901,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5TDM,,,,,,,
,,,7A2:A:901,valid,,,,,C(C(=O)O)[C@]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ADP:A:902,valid,Ki,=,150,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,ADN:A:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5TET,,,,,,,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,7A3:A:901,valid,,,,,C(C(=O)O)[C@]([C@@H](C(=O)O)O)(C(=O)O)O,
,,5TES,,,,,,,
,,,FLC:A:901,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ADP:A:903,valid,Ki,=,150,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,3MWE,,,,,,,
,,,MG:A:426,Part of Protein,,,,,[Mg+2],
,,,TLA:A:427,valid,Ki,=,29,mM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6HXI,,,,,,,
,,,PG4:B:704,invalid,,,,,C(COCCOCCOCCO)O,
,,,SIN:D:702,valid,,,,,C(CC(=O)O)C(=O)O,
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,ACT:D:703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:705,invalid,,,,,CC(=O)[O-],
,,,ACT:B:706,invalid,,,,,CC(=O)[O-],
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PGE:B:703,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:702,invalid,,,,,C(COCCOCCO)O,
,,,COA:B:701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
4.2.3.9,,,,,,,,,
,Family. Representative Entry is ,4KWD,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,JF2:A:405,valid,,,,,C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C,
,,,JF2:C:405,valid,,,,,C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C,
,,,JF2:D:405,valid,,,,,C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C,
,,,JF2:B:705,valid,,,,,C[C@@H]1CCC[NH+]2[C@]1(C[C@@H](CC2)C(=C)C)C,
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:704,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,4KVI,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,1SV:A:705,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C,
,,,1SV:C:405,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C,
,,,1SV:D:405,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C,
,,,1SV:B:705,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]=C2C1)C,
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:704,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:704,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,3BNX,,,,,,,
,,,BME:A:1273,invalid,,,,,C(CS)O,
,,,BME:B:1271,invalid,,,,,C(CS)O,
,,,BME:C:1270,invalid,,,,,C(CS)O,
,,,BME:D:1272,invalid,,,,,C(CS)O,
,,,BME:D:1274,invalid,,,,,C(CS)O,
,,,FPP:A:400,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPP:B:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPP:C:402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GOL:C:2647,invalid,,,,,C(C(CO)O)O,
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,POP:D:4294,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,3CKE,,,,,,,
,,,BME:B:1271,invalid,,,,,C(CS)O,
,,,BME:D:1272,invalid,,,,,C(CS)O,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,FDF:A:400,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
,,,FDF:B:401,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
,,,FDF:C:402,valid,,,,,C/C(=CCC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/CCC=C(CF)CF,
,,,GOL:C:2647,invalid,,,,,C(C(CO)O)O,
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,POP:D:5963,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4KVD,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:407,invalid,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,1SS:C:406,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C,
,,,1SS:A:408,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C,
,,,1SS:B:401,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C,
,,,1SS:D:405,valid,,,,,CC(=C)[C@H]1CC[C@]2(CCC[NH+]([C@@H]2C1)C)C,
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:402,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,4KVY,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,JF1:B:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:D:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:C:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:A:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,5IMP,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,JF1:D:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:A:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:C:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:B:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4KUX,,,,,,,
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,FPS:C:705,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:405,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:D:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:704,invalid,,,,,C(C(CO)O)O,
,,4KVW,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,JF4:B:406,valid,,,,,C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C,
,,,JF4:D:405,valid,,,,,C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C,
,,,JF4:C:406,valid,,,,,C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C,
,,,JF4:A:405,valid,,,,,C[C@@H]1CCC[C@]2([NH+]1C[C@H](CC2)C(=C)C)C,
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,3BNY,,,,,,,
,,,BME:B:1271,invalid,,,,,C(CS)O,
,,,BME:C:1270,invalid,,,,,C(CS)O,
,,,BME:D:1272,invalid,,,,,C(CS)O,
,,,CL:B:500,invalid,,,,,[Cl-],
,,,FPF:A:400,valid,,,,,CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)C,
,,,FPF:B:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)C,
,,,FPF:C:402,valid,,,,,CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)C,
,,,FPF:D:403,valid,,,,,CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)C,
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,5IMI,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,JF1:D:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:A:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:C:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,JF1:B:405,valid,,,,,C[C@H]1CCC[NH+]2[C@@]1(C[C@H](CC2)C(=C)C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,POP:C:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,5IVG,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,GOL:C:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,FPS:C:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:D:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:704,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,Family. Representative Entry is ,5IKH,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,6BW:A:601,valid,,,,,C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C,
,,3M02,,,,,,,
,,,2CF:A:549,valid,,,,,CC(=CCC/C(=C/CC/C(=C(CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C,
,,,MG:A:852,Part of Protein,,,,,[Mg+2],
,,,MG:A:853,Part of Protein,,,,,[Mg+2],
,,,MG:A:854,Part of Protein,,,,,[Mg+2],
,,3LZ9,,,,,,,
,,,FPF:A:700,valid,,,,,CC(=CCC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)C,
,,,MG:A:852,Part of Protein,,,,,[Mg+2],
,,,MG:A:853,Part of Protein,,,,,[Mg+2],
,,,MG:A:854,Part of Protein,,,,,[Mg+2],
,,4RNQ,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,A4S:A:604,valid,,,,,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CCC=C(C)CNc1ccccc1,
,,,1GA:A:605,valid,,,,,CC1=CCc2ccc(cc2)NC/C(=C/CC1)/C,
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,DPO:A:606,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,5IK6,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,CRE:A:604,valid,,,,,CC1=CCCC(=CC[C@@H](CC1)C(=C)C)C,
,,,DPO:A:605,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,5EAU,,,,,,,
,,,FFF:A:800,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C,
,,,MG:A:732,Part of Protein,,,,,[Mg+2],
,,,MG:A:733,Part of Protein,,,,,[Mg+2],
,,1HXA,,,,,,,
,,,FHP:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/C)/C)C,
,,,MG:A:851,Part of Protein,,,,,[Mg+2],
,,,MG:A:852,Part of Protein,,,,,[Mg+2],
,,,MG:A:853,Part of Protein,,,,,[Mg+2],
,,5IK0,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,FPP:A:604,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3M00,,,,,,,
,,,2CF:A:549,valid,,,,,CC(=CCC/C(=C/CC/C(=C(CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C,
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
2.1.1.2,,,,,,,,,
,Family. Representative Entry is ,1P1C,,,,,,,
,,,GD3:A:3001,invalid,,,,,[Gd+3],
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1KHH,,,,,,,
,,,SAH:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2BLN,,,,,,,
,,,ACT:A:1307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1307,invalid,,,,,CC(=O)[O-],
,,,FON:A:1305,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:1305,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,U5P:A:1306,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:1306,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,5J63,,,,,,,
,,,G3N:B:401,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N,
,,,G3N:D:401,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N,
,,,G3N:A:401,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N,
,,,G3N:C:401,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)N,
,,,FNX:D:402,valid,,,,,Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N,
,,,FNX:C:402,valid,,,,,Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N,
,,,FNX:B:402,valid,,,,,Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N,
,,,FNX:A:402,valid,,,,,Cc1ccc(cc1)N=C[C@@H]2CNC3=NC(=NC(=O)C3N2C=O)N,
,Family. Representative Entry is ,1XCL,,,,,,,
,,,GAI:A:237,invalid,,,,,C(=N)(N)N,
,,,SAH:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1XCJ,,,,,,,
,,,NMG:A:237,valid,,,,,[H]/N=C(/N)NCC(=O)O,
,,,SAH:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.4.3.23,,,,,,,,,
,Family. Representative Entry is ,5ZBC,,,,,,,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5G3U,,,,,,,
,,,GOL:B:421,invalid,,,,,C(C(CO)O)O,
,,,ITW:B:420,valid,Kd,=,42.6,uM,C=C(Cc1c[nH]c2c1cccc2)C(=O)O,
,,,ITW:A:420,valid,Kd,=,42.6,uM,C=C(Cc1c[nH]c2c1cccc2)C(=O)O,
,,,FDA:B:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5G3T,,,,,,,
,,,CL:C:420,invalid,,,,,[Cl-],
,,,CL:C:423,invalid,,,,,[Cl-],
,,,CL:D:424,invalid,,,,,[Cl-],
,,,CL:C:424,invalid,,,,,[Cl-],
,,,CL:A:421,invalid,,,,,[Cl-],
,,,CL:A:422,invalid,,,,,[Cl-],
,,,CL:C:422,invalid,,,,,[Cl-],
,,,CL:C:421,invalid,,,,,[Cl-],
,,,CL:B:422,invalid,,,,,[Cl-],
,,,CL:D:423,invalid,,,,,[Cl-],
,,,CL:B:423,invalid,,,,,[Cl-],
,,,TRS:C:426,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:425,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:424,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FDA:D:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:419,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:D:420,Part of Protein,,,,,[Mg+2],
,,,MG:D:422,Part of Protein,,,,,[Mg+2],
,,,MG:B:420,Part of Protein,,,,,[Mg+2],
,,,MG:A:420,Part of Protein,,,,,[Mg+2],
,,,MG:B:421,Part of Protein,,,,,[Mg+2],
,,,MG:D:421,Part of Protein,,,,,[Mg+2],
,,,GOL:C:425,invalid,,,,,C(C(CO)O)O,
,,5G3S,,,,,,,
,,,NO3:B:430,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:434,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:435,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:433,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:431,invalid,,,,,[N+](=O)([O-])[O-],
,,,SM:A:419,invalid,,,,,[Sm+3],
,,,SM:A:425,invalid,,,,,[Sm+3],
,,,SM:A:420,invalid,,,,,[Sm+3],
,,,SM:A:424,invalid,,,,,[Sm+3],
,,,SM:A:421,invalid,,,,,[Sm+3],
,,,SM:A:423,invalid,,,,,[Sm+3],
,,,SM:B:421,invalid,,,,,[Sm+3],
,,,SM:B:420,invalid,,,,,[Sm+3],
,,,SM:B:422,invalid,,,,,[Sm+3],
,,,SM:B:419,invalid,,,,,[Sm+3],
,,,SM:A:422,invalid,,,,,[Sm+3],
,,,CL:B:432,invalid,,,,,[Cl-],
,,,CL:A:437,invalid,,,,,[Cl-],
,,,CL:A:436,invalid,,,,,[Cl-],
,,,FDA:B:429,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:432,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRS:A:438,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:433,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5ZBD,,,,,,,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRP:B:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
6.2.1.5,,,,,,,,,
,Family. Representative Entry is ,2NU8,,,,,,,
,,,COA:A:1300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1325,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1325,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:1700,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JKJ,,,,,,,
,,,COA:A:1300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1903,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1904,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:1700,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SCU,,,,,,,
,,,COA:A:289,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:289,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2SCU,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2NU7,,,,,,,
,,,COA:A:1300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1025,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1325,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1025,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1325,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PO4:A:1600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6NO3,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:303,invalid,,,,,[Cl-],
,,6NO4,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6NO2,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,6NO0,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:303,invalid,,,,,[Cl-],
,,6NO1,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6NO5,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NH4:D:303,invalid,,,,,[NH4+],
,,,NH4:C:303,invalid,,,,,[NH4+],
,,,NH4:B:303,invalid,,,,,[NH4+],
,,,NH4:B:304,invalid,,,,,[NH4+],
1.1.1.292,,,,,,,,,
,Family. Representative Entry is ,4KOA,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.5.5.2,,,,,,,,,
,Family. Representative Entry is ,6UFP,,,,,,,
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMT:A:1309,invalid,,,,,C(=O)O,
,,,FMT:B:1307,invalid,,,,,C(=O)O,
,,,PEG:A:1304,invalid,,,,,C(COCCO)O,
,,,PEG:B:1304,invalid,,,,,C(COCCO)O,
,,,NAD:A:1303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1303,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FDA T2C:B:1301,valid,,,,,,
,,,FDA T2C:A:1301,valid,,,,,,
,Family. Representative Entry is ,5M42,,,,,,,
,,,FMN:A:2001,valid,Kd,=,19.5,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6X99,,,,,,,
,,,DPR:B:2006,valid,Ki,=,1.5,mM,C1C[C@@H](NC1)C(=O)O,
,,,DPR:A:2008,valid,Ki,=,1.5,mM,C1C[C@@H](NC1)C(=O)O,
,,,DPR:A:2007,valid,Ki,=,1.5,mM,C1C[C@@H](NC1)C(=O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:A:2009,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2007,invalid,,,,,C(COCCOCCO)O,
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6X9B,,,,,,,
,,,UYA:A:2006,valid,Ki,=,8,mM,C1[C@H](CN[C@H]1C(=O)O)O,
,,,UYA:B:2005,valid,Ki,=,8,mM,C1[C@H](CN[C@H]1C(=O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:B:2002,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:A:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:2005,invalid,,,,,[Mg+2],
,,,PEG:A:2002,invalid,,,,,C(COCCO)O,
,,6X9A,,,,,,,
,,,PEG:A:2003,invalid,,,,,C(COCCO)O,
,,,PEG:B:2003,invalid,,,,,C(COCCO)O,
,,,PEG:A:2006,invalid,,,,,C(COCCO)O,
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UY7:A:2004,valid,Ki,=,4.5,mM,C1[C@@H](CN[C@H]1C(=O)O)O,
,,,UY7:B:2004,valid,Ki,=,4.5,mM,C1[C@@H](CN[C@H]1C(=O)O)O,
,,,UY7:A:2005,valid,Ki,=,4.5,mM,C1[C@@H](CN[C@H]1C(=O)O)O,
,,,FMT:A:2002,invalid,,,,,C(=O)O,
,,,PGE:B:2002,invalid,,,,,C(COCCOCCO)O,
,,6X9D,,,,,,,
,,,HYP:B:2002,valid,Ki,=,7,mM,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:A:2002,valid,Ki,=,7,mM,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,SO4:A:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:2005,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2005,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:B:2004,invalid,,,,,C(COCCO)O,
,,,FMT:A:2004,invalid,,,,,C(=O)O,
,,,MG:A:2010,invalid,,,,,[Mg+2],
,,,MG:B:2008,invalid,,,,,[Mg+2],
,,,PGE:B:2003,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:2003,invalid,,,,,C(COCCOCCO)O,
,,6VZ9,,,,,,,
,,,SO4:B:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:A:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,T2C:A:1304,invalid,,,,,C1CS[C@H](N1)C(=O)O,
,,,T2C:B:1304,invalid,,,,,C1CS[C@H](N1)C(=O)O,
,,,FAD:B:1301,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1301,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD T2C:A:1301,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C3SC(C(=O)[O-])[NH2+]C3)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD T2C:B:1301,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C3SC(C(=O)[O-])[NH2+]C3)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,PEG:A:1305,invalid,,,,,C(COCCO)O,
,,,MG:B:1303,invalid,,,,,[Mg+2],
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,PGE:B:1305,invalid,,,,,C(COCCOCCO)O,
,,6X9C,,,,,,,
,,,PRO:A:1309,valid,Ki,=,11,mM,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:1307,valid,Ki,=,11,mM,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:1310,valid,Ki,=,11,mM,C1C[C@H](NC1)C(=O)O,
,,,PEG:A:1302,invalid,,,,,C(COCCO)O,
,,,SO4:B:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMT:A:1303,invalid,,,,,C(=O)O,
,,,NAI:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:B:1306,invalid,,,,,[Mg+2],
,,,MG:A:1308,invalid,,,,,[Mg+2],
,,,PGE:B:1302,invalid,,,,,C(COCCOCCO)O,
,,,FDA:B:1303,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:1304,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5KF6,,,,,,,
,,,NAD:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TFB:B:2003,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:A:2003,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:2004,invalid,,,,,[Mg+2],
,,,MG:B:2004,invalid,,,,,[Mg+2],
,,,PGE:A:2007,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2006,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2008,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:2006,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:2005,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2007,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2009,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:2005,invalid,,,,,C(COCCOCCO)O,
,,,PG4:B:2010,invalid,,,,,C(COCCOCCOCCO)O,
,,5KF7,,,,,,,
,,,TFB:A:2003,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,1PE:A:2007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:A:2009,invalid,,,,,[Mg+2],
,,,PG4:A:2005,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAD:A:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:A:2004,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.2.15,,,,,,,,,
,Family. Representative Entry is ,1OF8,,,,,,,
,,,CO:A:1369,Part of Protein,,,,,[Co+2],
,,,CO:B:1372,Part of Protein,,,,,[Co+2],
,,,G3P:A:1371,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:1374,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,GOL:A:1372,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1371,invalid,,,,,C(C(CO)O)O,
,,,PEP:A:1370,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1373,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1OAB,,,,,,,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:400,Part of Protein,,,,,[Mn+2],
,,,PEP:A:508,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:508,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1OFO,,,,,,,
,,,PGA:A:442,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:442,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,1OF6,,,,,,,
,,,DTY:A:1370,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:B:1370,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:C:1371,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:D:1370,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:E:1370,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:F:1370,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:G:1369,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,DTY:H:1369,valid,,,,,c1cc(ccc1C[C@H](C(=O)O)N)O,
,,,MN:A:1369,Part of Protein,,,,,[Mn+2],
,,,MN:B:1369,Part of Protein,,,,,[Mn+2],
,,,MN:C:1370,Part of Protein,,,,,[Mn+2],
,,,MN:D:1369,Part of Protein,,,,,[Mn+2],
,,,MN:E:1369,Part of Protein,,,,,[Mn+2],
,,,MN:F:1369,Part of Protein,,,,,[Mn+2],
,,,MN:G:1368,Part of Protein,,,,,[Mn+2],
,,,MN:H:1368,Part of Protein,,,,,[Mn+2],
,,1OFA,,,,,,,
,,,CO:A:400,Part of Protein,,,,,[Co+2],
,,,CO:B:400,Part of Protein,,,,,[Co+2],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,PEP:A:508,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:508,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,1HFB,,,,,,,
,,,PEP:A:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:E:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:F:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:G:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:H:500,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4C1K,,,,,,,
,,,CD:F:1265,Part of Protein,,,,,[Cd+2],
,,,CD:B:1264,Part of Protein,,,,,[Cd+2],
,,,CD:A:1265,Part of Protein,,,,,[Cd+2],
,,,CD:C:1265,invalid,,,,,[Cd+2],
,,,CD:D:1265,Part of Protein,,,,,[Cd+2],
,,,CD:E:1266,Part of Protein,,,,,[Cd+2],
,,,PEP:F:1264,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:E:1264,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:1264,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:1263,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1263,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:A:1264,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,CL:F:1263,invalid,,,,,[Cl-],
,,,CL:E:1263,invalid,,,,,[Cl-],
,,,CO3:A:1263,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1265,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1264,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1263,invalid,,,,,C(=O)([O-])[O-],
,,,2PE:E:1265,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,1ZCO,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:B:1902,invalid,,,,,[Cl-],
,,,MN:B:900,Part of Protein,,,,,[Mn+2],
,,,PEP:A:901,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1901,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5CKS,,,,,,,
,,,GAL:B:401,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:401,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,52L:C:402,valid,Kd,=,3.1,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=NO)/C(=O)O,
,,,52L:B:402,valid,Kd,=,3.1,uM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=NO)/C(=O)O,
,,1N8F,,,,,,,
,,,MN:A:351,Part of Protein,,,,,[Mn+2],
,,,MN:B:351,Part of Protein,,,,,[Mn+2],
,,,MN:C:351,Part of Protein,,,,,[Mn+2],
,,,MN:D:351,Part of Protein,,,,,[Mn+2],
,,,PEP:A:1396,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1397,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:C:1398,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:D:1399,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:5353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GG1,,,,,,,
,,,MN:A:371,Part of Protein,,,,,[Mn+2],
,,,MN:B:371,Part of Protein,,,,,[Mn+2],
,,,MN:C:371,Part of Protein,,,,,[Mn+2],
,,,MN:D:371,Part of Protein,,,,,[Mn+2],
,,,PGA:A:372,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:372,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:372,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:372,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:1373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1374,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2374,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3374,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4374,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.157,,,,,,,,,
,Family. Representative Entry is ,1KTW,,,,,,,
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:496,Part of Protein,,,,,[Ca+2],
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,CA:A:7,Part of Protein,,,,,[Ca+2],
,,,CA:A:9,Part of Protein,,,,,[Ca+2],
,,,CA:B:10,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:4,Part of Protein,,,,,[Ca+2],
,,,CA:B:6,Part of Protein,,,,,[Ca+2],
,,,CA:B:8,Part of Protein,,,,,[Ca+2],
,,,CL:A:530,invalid,,,,,[Cl-],
,,,CL:B:531,invalid,,,,,[Cl-],
,,,NA:A:11,Part of Protein,,,,,[Na+],
,,,NA:A:13,Part of Protein,,,,,[Na+],
,,,NA:B:12,Part of Protein,,,,,[Na+],
,,,NA:B:14,Part of Protein,,,,,[Na+],
,,,G4S DGS:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(O)C(O2)CO3)C(O)C(O)OC1CO)[O-],
,,,G4S DGS G4S DGS:D:1,invalid,,,,,S(=O)(=O)(OC1C(OC2C(OS(=O)(=O)[O-])C3C(O)C(O2)CO3)C(O)C(OC2C3C(OS(=O)(=O)[O-])C(OC4C(OS(=O)(=O)[O-])C(CO)OC(O)C4O)OC2CO3)OC1CO)[O-],
3.4.17.19,,,,,,,,,
,Family. Representative Entry is ,3DWC,,,,,,,
,,,CO:A:999,Part of Protein,,,,,[Co+2],
,,,CO:B:999,Part of Protein,,,,,[Co+2],
,,,CO:C:999,Part of Protein,,,,,[Co+2],
,,,CO:D:999,Part of Protein,,,,,[Co+2],
,,,GLY ALA:B:701,valid,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:608,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.2.17,,,,,,,,,
,Family. Representative Entry is ,4C25,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,13P:A:303,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4FUA,,,,,,,
,,,BME:A:301,invalid,,,,,C(CS)O,
,,,PGH:A:217,valid,Ki,=,4,uM,C(C(=O)NO)OP(=O)(O)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:216,Part of Protein,,,,,[Zn+2],
,,1E47,,,,,,,
,,,13P:P:304,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,BME:P:303,invalid,,,,,C(CS)O,
,,,SO4:P:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:P:305,Part of Protein,,,,,[Zn+2],
,,1E48,,,,,,,
,,,13P:P:302,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,BME:P:301,invalid,,,,,C(CS)O,
,,,ZN:P:303,Part of Protein,,,,,[Zn+2],
3.1.1.53,,,,,,,,,
,Family. Representative Entry is ,3I27,,,,,,,
,,,NAG:A:5156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5157,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5154,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:5156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:5157,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SID:D:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CSC(=O)C)O)O)(C(=O)O)OC)O,
,Family. Representative Entry is ,5JIL,,,,,,,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,6KL:A:513,valid,,,,,CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC,
,,,6KL:A:512,valid,,,,,CC(=O)N[C@H]1C[C@@](O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H](CO)O)O)(C(=O)O)OC,
,,,NA:A:510,Part of Protein,,,,,[Na+],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4C7W,,,,,,,
,,,NAG:A:1521,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1521,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:941,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,K:B:802,Part of Protein,,,,,[K+],
,,,SIO:B:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C,
,,,SIO:A:801,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3CL5,,,,,,,
,,,ACY:A:2001,invalid,,,,,CC(=O)O,
,,,K:A:2,Part of Protein,,,,,[K+],
,,,NAG:A:1961,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2521,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2523,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2527,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIO:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)OC(=O)C,
2.2.2.30,,,,,,,,,
,Family. Representative Entry is ,4Z9D,,,,,,,
,,,NA:A:201,invalid,,,,,[Na+],
,,,NA:B:201,invalid,,,,,[Na+],
,,,NAD:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.7.7.74,,,,,,,,,
,Family. Representative Entry is ,4ASJ,,,,,,,
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:B:1295,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:D:1295,invalid,,,,,[Cl-],
,,,N6A:A:1294,valid,Kd,=,0.028,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3,
,,,N6A:B:1294,valid,Kd,=,0.028,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3,
,,,N6A:C:1294,valid,Kd,=,0.028,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3,
,,,N6A:D:1294,valid,Kd,=,0.028,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3,
,,,PO4:A:1296,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1296,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1G1L,,,,,,,
,,,CIT:A:3800,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:3801,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DAU:A:3500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:A:3501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:3502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:3503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:C:3504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:C:3505,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:D:3506,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:D:3507,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:E:3508,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:E:3509,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:F:3510,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:F:3511,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:G:3514,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:G:3515,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:H:3512,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:H:3513,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,SO4:A:3700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3817,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:3811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:3703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:3814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:3815,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:3816,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4B42,,,,,,,
,,,942:A:1294,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N,
,,,942:B:1294,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N,
,,,942:C:1294,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N,
,,,942:D:1294,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)c2ccccc2)N,
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:B:1295,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:D:1295,invalid,,,,,[Cl-],
,,,MES:A:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4B4G,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,KKT:A:400,valid,ic50,=,0.175,uM,CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,KKT:B:400,valid,ic50,=,0.175,uM,CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,KKT:C:400,valid,ic50,=,0.175,uM,CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,KKT:D:400,valid,ic50,=,0.175,uM,CCCCS(=O)(=O)N(C)C1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,MES:B:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1294,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4B4B,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,GJB:A:400,valid,,,,,c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O,
,,,GJB:B:400,valid,,,,,c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O,
,,,GJB:C:400,valid,,,,,c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O,
,,,GJB:D:400,valid,,,,,c1ccc(cc1)CCN2C(=O)CC(=O)NC2=O,
,,,MES:A:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4B4M,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,JWT:A:400,valid,ic50,=,0.205,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F,
,,,JWT:B:400,valid,ic50,=,0.205,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F,
,,,JWT:C:400,valid,ic50,=,0.205,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F,
,,,JWT:D:400,valid,ic50,=,0.205,uM,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccc(cc3)F,
,,,MES:A:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3ZLK,,,,,,,
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,Y46:A:400,valid,ic50,=,1.32,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N,
,,,Y46:D:400,valid,ic50,=,1.32,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N,
,,,Y46:B:400,valid,ic50,=,1.32,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N,
,,,Y46:C:400,valid,ic50,=,1.32,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NS(=O)(=O)c3ccccc3)N,
,,4B2W,,,,,,,
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:B:1295,invalid,,,,,[Cl-],
,,,CL:D:1295,invalid,,,,,[Cl-],
,,,MES:C:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1297,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BZ0:A:1294,valid,,,,,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N,
,,,BZ0:B:1294,valid,,,,,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N,
,,,BZ0:C:1294,valid,,,,,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N,
,,,BZ0:D:1294,valid,,,,,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)NC(=O)c3ccccc3)N,
,,,GOL:D:1296,invalid,,,,,C(C(CO)O)O,
,,1G0R,,,,,,,
,,,G1P:A:2500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:2501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:C:2502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:D:2503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:E:2504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:G:2505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:H:2506,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,SO4:A:2507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2528,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2527,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2521,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2524,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2525,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2526,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2529,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:2530,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:A:2538,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:2531,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:2539,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:2532,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:2540,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:2533,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:2541,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:E:2534,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:E:2542,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:F:2535,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:F:2543,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:G:2536,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:G:2544,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:H:2537,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:H:2545,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,4ARW,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,GOL:B:1295,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1295,invalid,,,,,C(C(CO)O)O,
,,,HNR:A:400,valid,Kd,=,0.074,uM,CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N,
,,,HNR:B:400,valid,Kd,=,0.074,uM,CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N,
,,,HNR:C:400,valid,Kd,=,0.074,uM,CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N,
,,,HNR:D:400,valid,Kd,=,0.074,uM,CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccccc2)N,
,,,MES:A:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3ZLL,,,,,,,
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,CL:B:1295,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,4WF:D:400,valid,Kd,=,0.395,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O,
,,,4WF:B:400,valid,Kd,=,0.395,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O,
,,,4WF:A:400,valid,Kd,=,0.395,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O,
,,,4WF:C:400,valid,Kd,=,0.395,uM,c1ccc(cc1)CN2C(=C(C(=O)NC2=O)N)O,
,,,GOL:A:1294,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1294,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1295,invalid,,,,,C(C(CO)O)O,
,,,MES:A:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4B5B,,,,,,,
,,,BBE:A:400,valid,ic50,=,0.387,uM,Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N,
,,,BBE:B:400,valid,ic50,=,0.387,uM,Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N,
,,,BBE:C:400,valid,ic50,=,0.387,uM,Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N,
,,,BBE:D:400,valid,ic50,=,0.387,uM,Cc1cccc(c1)S(=O)(=O)N(C)C2=C(N(C(=O)NC2=O)Cc3ccccc3)N,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,4ASY,,,,,,,
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:B:1295,invalid,,,,,[Cl-],
,,,CL:C:1295,invalid,,,,,[Cl-],
,,,CL:D:1295,invalid,,,,,[Cl-],
,,,MES:A:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,N5Y:A:1294,valid,,,,,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3,
,,,N5Y:B:1294,valid,,,,,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3,
,,,N5Y:C:1294,valid,,,,,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3,
,,,N5Y:D:1294,valid,,,,,CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)C(=O)c3ccccc3,
,,1FXO,,,,,,,
,,,SO4:A:3700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:4700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:6700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:7700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMP:A:8500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:9507,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:9500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:9508,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:9501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:9509,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:9502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:9510,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:E:9503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:E:9511,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:F:9504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:F:9512,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:G:9505,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:G:9513,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:H:9506,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:H:9514,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,4B3U,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,GOL:A:1295,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1295,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1296,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1295,invalid,,,,,C(C(CO)O)O,
,,,MES:A:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1297,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1296,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NWL:A:400,valid,ic50,=,4.7,uM,CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,NWL:B:400,valid,ic50,=,4.7,uM,CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,NWL:C:400,valid,ic50,=,4.7,uM,CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,,NWL:D:400,valid,ic50,=,4.7,uM,CCNC1=C(N(C(=O)NC1=O)Cc2ccccc2)N,
,,4B2X,,,,,,,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,CL:C:1294,invalid,,,,,[Cl-],
,,,CL:D:1294,invalid,,,,,[Cl-],
,,,MES:D:1295,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NIQ:A:400,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N,
,,,NIQ:B:400,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N,
,,,NIQ:C:400,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N,
,,,NIQ:D:400,valid,,,,,CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N,
,,,TYR:A:293,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
1.14.19.9,,,,,,,,,
,Family. Representative Entry is ,2AQJ,,,,,,,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRP:A:650,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2JKC,,,,,,,
,,,CL:A:1519,invalid,,,,,[Cl-],
,,,CL:A:1521,invalid,,,,,[Cl-],
,,,FAD:A:1518,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRP:A:1520,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2APG,,,,,,,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AR8,,,,,,,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,CTE:A:650,valid,,,,,c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
4.1.1.18,,,,,,,,,
,Family. Representative Entry is ,3N75,,,,,,,
,,,G4P:A:716,valid,Kd,=,12.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:B:716,valid,Kd,=,12.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:C:716,valid,Kd,=,12.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:D:716,valid,Kd,=,12.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:E:716,valid,Kd,=,12.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,GOL:A:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:718,invalid,,,,,C(C(CO)O)O,
,,,P6G:A:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,2PLK,,,,,,,
,,,P3D:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O,
,,,P3D:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCCCCN)O,
,Family. Representative Entry is ,5GJO,,,,,,,
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:407,invalid,,,,,[Na+],
,,,NA:A:409,invalid,,,,,[Na+],
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PLP:A:406,valid,Kd,=,21,uM,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:404,valid,Kd,=,21,uM,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
2.1.2.-,,,,,,,,,
,Family. Representative Entry is ,1KJ8,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:397,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:396,invalid,,,,,[Cl-],
,,,CL:A:397,invalid,,,,,[Cl-],
,,,CL:A:398,invalid,,,,,[Cl-],
,,,CL:B:396,invalid,,,,,[Cl-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:399,invalid,,,,,C(CO)O,
,,,EDO:B:400,invalid,,,,,C(CO)O,
,,,GAR:A:399,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:398,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,,,MPO:A:400,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:395,Part of Protein,,,,,[Na+],
,,,NA:B:395,Part of Protein,,,,,[Na+],
,,1KJQ,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:397,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:395,invalid,,,,,[Cl-],
,,,CL:A:396,invalid,,,,,[Cl-],
,,,CL:B:395,invalid,,,,,[Cl-],
,,,CL:B:396,invalid,,,,,[Cl-],
,,,EDO:A:398,invalid,,,,,C(CO)O,
,,,EDO:A:399,invalid,,,,,C(CO)O,
,,,EDO:A:400,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:398,invalid,,,,,C(CO)O,
,,,EDO:B:399,invalid,,,,,C(CO)O,
,,,EDO:B:400,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MPO:A:397,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:394,Part of Protein,,,,,[Na+],
,,,NA:B:394,Part of Protein,,,,,[Na+],
,,1KJ9,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:398,invalid,,,,,[Cl-],
,,,CL:A:399,invalid,,,,,[Cl-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:396,invalid,,,,,C(CO)O,
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,,,MPO:A:400,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:396,Part of Protein,,,,,[Na+],
,,,NA:A:397,Part of Protein,,,,,[Na+],
,,1KJI,,,,,,,
,,,ACP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:397,invalid,,,,,[Cl-],
,,,EDO:A:399,invalid,,,,,C(CO)O,
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,,,MPO:A:398,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:395,Part of Protein,,,,,[Na+],
,,,NA:A:396,Part of Protein,,,,,[Na+],
,,,NA:B:395,Part of Protein,,,,,[Na+],
,,1EZ1,,,,,,,
,,,ACT:A:960,invalid,,,,,CC(=O)[O-],
,,,ACT:B:961,invalid,,,,,CC(=O)[O-],
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GAR:A:410,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,GAR:B:411,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CN)O)O)OP(=O)([O-])[O-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MPO:A:950,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:1001,Part of Protein,,,,,[Na+],
,,,NA:B:1002,Part of Protein,,,,,[Na+],
,,1KJJ,,,,,,,
,,,AGS:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CL:A:396,invalid,,,,,[Cl-],
,,,MG:A:393,Part of Protein,,,,,[Mg+2],
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:B:393,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,,,MPO:A:397,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:395,Part of Protein,,,,,[Na+],
,,1EYZ,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:961,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:970,invalid,,,,,[Cl-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MPO:A:950,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:961,Part of Protein,,,,,[Na+],
,,,NA:B:960,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5VYR,,,,,,,
,,,B62:B:301,valid,,,,,C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,B62:A:301,valid,,,,,C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,GMP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:A:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,5VYU,,,,,,,
,,,1YA:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,1YA:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,JB2:A:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5VYT,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,FON:D:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:C:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,5VYS,,,,,,,
,,,1YJ:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,1YJ:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GMP:B:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
2.7.1.24,,,,,,,,,
,Family. Representative Entry is ,1JJV,,,,,,,
,,,ATP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1VHT,,,,,,,
,,,ACT:A:217,invalid,,,,,CC(=O)[O-],
,,,ACT:B:217,invalid,,,,,CC(=O)[O-],
,,,BA3:A:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,BA3:B:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,BA3:C:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,1VHL,,,,,,,
,,,ACT:B:217,invalid,,,,,CC(=O)[O-],
,,,ACT:C:217,invalid,,,,,CC(=O)[O-],
,,,ADP:A:217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4TTQ,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.3.1.225,,,,,,,,,
,Family. Representative Entry is ,6BMM,,,,,,,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,DYD:A:408,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,DYD:A:406,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,DYD:A:405,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,DYD:B:405,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,DYD:A:407,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,DYD:A:409,invalid,,,,,C[C@@H](CC[C@H](C)O)O,
,,,OLB:A:404,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:B:404,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,Family. Representative Entry is ,6BMS,,,,,,,
,,,PO4:D:1006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LMT:A:1004,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:D:1007,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:D:1003,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1005,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1003,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,POV:A:1007,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,PLM:D:1004,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1006,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5W7I,,,,,,,
,,,GLY VAL VAL ALA SER GLN PRO ALA ARG VAL:D:1,valid,Kd,=,11.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(C)C)C(C)C)C)CO)CCC(=O)N)CCC1)C)C)C(C)C,
,,,GLY VAL VAL ALA SER GLN PRO ALA ARG VAL:B:1,valid,Kd,=,11.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(C)C)C(C)C)C)CO)CCC(=O)N)CCC1)C)C)C(C)C,
,,5W7J,,,,,,,
,,,GLY VAL VAL ALA SER GLN PRO ALA ARG VAL:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(C)C)C(C)C)C)CO)CCC(=O)N)CCC1)C)C)C(C)C,
,,,GLY VAL VAL ALA SER GLN PRO ALA ARG VAL:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(C)C)C(C)C)C)CO)CCC(=O)N)CCC1)C)C)C(C)C,
,Family. Representative Entry is ,6BMN,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PAP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
2.7.1.130,,,,,,,,,
,Family. Representative Entry is ,4ITM,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:401,valid,Ki,=,3.1,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4EHY,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,4ITL,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ACP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
1.5.99.7,,,,,,,,,
,Family. Representative Entry is ,1O94,,,,,,,
,,,ADP:A:1731,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1731,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:C:1236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:1237,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FMN:A:1730,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1730,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:A:1732,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1732,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,1DJN,,,,,,,
,,,ADP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1DJQ,,,,,,,
,,,ADP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2TMD,,,,,,,
,,,ADP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:A:802,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:802,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
1.14.18.-,,,,,,,,,
,Family. Representative Entry is ,5M8T,,,,,,,
,,,NAG NAG MAN:L:1,invalid,,,,,,
,,,NAG NAG MAN:O:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:N:1,invalid,,,,,,
,,,NAG NAG FUC:S:1,invalid,,,,,,
,,,ZN:C:514,Part of Protein,,,,,[Zn+2],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:B:516,Part of Protein,,,,,[Zn+2],
,,,ZN:C:515,Part of Protein,,,,,[Zn+2],
,,,ZN:B:515,Part of Protein,,,,,[Zn+2],
,,,ZN:D:516,Part of Protein,,,,,[Zn+2],
,,,ZN:D:517,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:W:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:U:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0TR:C:516,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:A:513,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:D:518,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:B:517,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,NAG NAG FUC MAN:T:1,invalid,,,,,,
,,,NAG NAG FUC MAN:V:1,invalid,,,,,,
,,,NAG FUC:J:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC MAN MAN:I:1,invalid,,,,,,
,,5M8O,,,,,,,
,,,NAG NAG:W:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:S:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Y:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:Q:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:K:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ZN:C:518,Part of Protein,,,,,[Zn+2],
,,,ZN:C:517,Part of Protein,,,,,[Zn+2],
,,,ZN:B:518,Part of Protein,,,,,[Zn+2],
,,,ZN:D:519,Part of Protein,,,,,[Zn+2],
,,,ZN:D:520,Part of Protein,,,,,[Zn+2],
,,,ZN:B:517,Part of Protein,,,,,[Zn+2],
,,,ZN:A:514,Part of Protein,,,,,[Zn+2],
,,,ZN:A:513,Part of Protein,,,,,[Zn+2],
,,,0TR:C:516,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:A:512,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:B:516,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,0TR:D:518,valid,,,,,C1=CC=C(C(=O)C=C1)O,
,,,NAG NAG MAN:P:1,invalid,,,,,,
,,,NAG NAG MAN:T:1,invalid,,,,,,
,,,NAG NAG FUC MAN MAN:V:1,invalid,,,,,,
,,,NAG NAG FUC MAN MAN MAN:M:1,invalid,,,,,,
,,,NAG NAG FUC:O:1,invalid,,,,,,
,,,NAG NAG FUC:J:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:U:1,invalid,,,,,,
,,,NAG NAG MAN MAN MAN:X:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,5M8R,,,,,,,
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,,ZN:B:513,Part of Protein,,,,,[Zn+2],
,,,ZN:C:514,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:C:515,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,ZN:B:512,Part of Protein,,,,,[Zn+2],
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:513,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:J:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG FUC:I:1,invalid,,,,,,
,,,NAG FUC:M:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MMS:D:509,valid,,,,,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,
,,,MMS:A:511,valid,,,,,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,
,,,MMS:B:514,valid,,,,,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,
,,,MMS:C:516,valid,,,,,C1=CN(C=C(C1=O)O)C[C@@H](C(=O)O)N,
,,,NAG NAG MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG MAN MAN:L:1,invalid,,,,,,
3.5.4.25,,,,,,,,,
,Family. Representative Entry is ,4RL4,,,,,,,
,,,PPV:A:201,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:201,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,2BZ1,,,,,,,
,,,GOL:A:1178,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1176,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1177,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAU:A:1179,valid,,,,,C(CS(=O)(=O)O)N,
,,,ZN:A:1174,Part of Protein,,,,,[Zn+2],
2.7.1.23,,,,,,,,,
,Family. Representative Entry is ,5DHU,,,,,,,
,,,5A8:B:302,valid,Ki,=,0.5,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5A8:D:301,valid,Ki,=,0.5,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5A8:A:302,valid,Ki,=,0.5,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5A8:C:301,valid,Ki,=,0.5,uM,c1ccc2c(c1)c(c[nH]2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V7Y,,,,,,,
,,,A3N:A:302,valid,,,,,C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,A3N:A:303,valid,,,,,C#CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2Q5F,,,,,,,
,,,DTA:A:273,valid,Ki,=,0.02,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,6RGD,,,,,,,
,,,K2W:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V8M,,,,,,,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,Z8B:A:301,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N,
,,,Z8B:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N,
,,6RC5,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,JYB:A:302,valid,,,,,CCn1c(nc2c1ncnc2N)C#C,
,,6RBX,,,,,,,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,JYT:A:301,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCCO)N,
,,3V8P,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZNB:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)SCC(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@H](O6)CN=[N]=N)O)O)N,
,,3V7W,,,,,,,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ZAS:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N,
,,,ZAS:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N]=N)O)O)N,
,,6RBO,,,,,,,
,,,JXQ:A:302,valid,,,,,C#CCCCCn1cnc2c1ncnc2N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4DY6,,,,,,,
,,,A22:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O)N,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RR2,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MTA:A:303,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KF5:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3CCCCO3)N,
,,3V80,,,,,,,
,,,AOC:A:301,valid,,,,,C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,AOC:A:302,valid,,,,,C#CCOC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,2I2A,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:273,valid,Ki,=,0.04,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6RG8,,,,,,,
,,,K2K:A:301,valid,,,,,c1nc(c2c(n1)[nH]c(n2)C#CCCNC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)N,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RBV,,,,,,,
,,,JYE:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2I2D,,,,,,,
,,,A2D:A:273,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,CIT:A:274,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RGB,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,K38:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N,
,,5DHQ,,,,,,,
,,,5AK:D:301,valid,Ki,=,2,uM,c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AK:C:301,valid,Ki,=,2,uM,c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AK:B:302,valid,Ki,=,2,uM,c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AK:A:302,valid,Ki,=,2,uM,c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V8R,,,,,,,
,,,5NB:A:301,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N,
,,,5NB:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2I2C,,,,,,,
,,,DTA:A:273,valid,Ki,=,0.02,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSSC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,PG4:A:301,invalid,,,,,C(COCCOCCOCCO)O,
,,6RGC,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,K3H:A:302,valid,,,,,CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,6RBU,,,,,,,
,,,JYK:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2I2F,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:273,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6RBY,,,,,,,
,,,JYW:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCCCO)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2I29,,,,,,,
,,,CIT:A:274,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAD:A:273,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6RC3,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,JXW:A:303,valid,,,,,Cc1nc2c(ncnc2n1CCCl)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V8Q,,,,,,,
,,,5N5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6RBP,,,,,,,
,,,JYN:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)CCCCN=[N+]=[N-])N,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RC4,,,,,,,
,,,JXZ:A:302,valid,,,,,Cc1nc2c(ncnc2n1CCO)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RBS,,,,,,,
,,,JXT:A:302,valid,,,,,C#CCCCn1c2c(c(ncn2)N)nc1Br,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RBR,,,,,,,
,,,JXN:A:302,valid,,,,,CCn1c2c(c(ncn2)N)nc1Br,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RG9,,,,,,,
,,,K3K:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N,
,,,CIT:A:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2I2B,,,,,,,
,,,CC5:A:273,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N,
,,,CC5:A:274,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,5DHR,,,,,,,
,,,5AJ:D:301,valid,Ki,=,23,uM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5AJ:A:302,valid,Ki,=,23,uM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5AJ:B:302,valid,Ki,=,23,uM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,5AJ:C:302,valid,Ki,=,23,uM,c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CN=[N+]=[N-])O)O)N,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RGA,,,,,,,
,,,K3E:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COCC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CN)O)O)N)O)O)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RBW,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,JXB:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N,
,,6RBQ,,,,,,,
,,,JYQ:A:302,valid,,,,,CC(=O)SCCCCn1cnc2c1ncnc2N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RBZ,,,,,,,
,,,JXK:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)CCCN)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V8N,,,,,,,
,,,5CI:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)C(CC(=O)O)(CC(=O)O)O)O)O)N,
,,,5NB:A:301,valid,,,,,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5DHP,,,,,,,
,,,5AQ:A:303,valid,Ki,=,140,uM,c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AQ:D:302,valid,Ki,=,140,uM,c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AQ:B:302,valid,Ki,=,140,uM,c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,5AQ:C:301,valid,Ki,=,140,uM,c1ccc(cc1)CCNC(=O)CSc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N,
,,,CIT:B:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6RC2,,,,,,,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,JY2:A:302,valid,,,,,Cc1nc2c(ncnc2n1CCCC#C)N,
,,6RG7,,,,,,,
,,,K2H:A:302,valid,,,,,CN(CC#Cc1[nH]c2c(n1)c(ncn2)N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6RC6,,,,,,,
,,,JY5:A:302,valid,,,,,c1nc(c2c(n1)n(c(n2)C#CCO)[C@H]3CCCCO3)N,
,,,CIT:A:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3V7U,,,,,,,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,MTA:A:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:A:302,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1Z0S,,,,,,,
,,,ATP:C:739,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:737,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:738,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:740,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,POP:A:3953,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:3954,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:3955,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:3956,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,MG:A:5001,invalid,,,,,[Mg+2],
,,,MG:B:5002,invalid,,,,,[Mg+2],
,,,MG:D:5004,invalid,,,,,[Mg+2],
,,,MG:C:5003,invalid,,,,,[Mg+2],
,,1Z0U,,,,,,,
,,,NAP:A:3076,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3077,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SUW,,,,,,,
,,,NAP:A:3075,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3076,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3077,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:3078,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.2.1.24,,,,,,,,,
,Family. Representative Entry is ,6B9P,,,,,,,
,,,D0J:B:1001,valid,Ki,=,0.001,uM,COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,D0J:A:1001,valid,Ki,=,0.001,uM,COCc1cn(nn1)CCCCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4AQ0,,,,,,,
,,,B3P:A:1773,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,CA:B:1772,Part of Protein,,,,,[Ca+2],
,,,CA:A:1772,Part of Protein,,,,,[Ca+2],
,,,DMJ:B:1773,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
4.2.3.4,,,,,,,,,
,Family. Representative Entry is ,1XAJ,,,,,,,
,,,CRB:A:500,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,CRB:B:501,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,1XAH,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,1XAG,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CRB:A:500,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1XAI,,,,,,,
,,,CRB:A:500,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,CRB:B:501,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6LK2,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,7LH:D:403,valid,Kd,=,0.5,uM,c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O,
,,,7LH:C:403,valid,Kd,=,0.5,uM,c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O,
,,,7LH:A:403,valid,Kd,=,0.5,uM,c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O,
,,,7LH:B:403,valid,Kd,=,0.5,uM,c1cc(c(cc1CCC(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O)O,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,6LLA,,,,,,,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:418,invalid,,,,,C(COCCO)O,
,,,PEG:A:417,invalid,,,,,C(COCCO)O,
,,,PEG:A:419,invalid,,,,,C(COCCO)O,
,,,PEG:C:407,invalid,,,,,C(COCCO)O,
,,,PEG:B:413,invalid,,,,,C(COCCO)O,
,,,PEG:A:416,invalid,,,,,C(COCCO)O,
,,,PEG:A:415,invalid,,,,,C(COCCO)O,
,,,PEG:B:414,invalid,,,,,C(COCCO)O,
,,,PEG:A:414,invalid,,,,,C(COCCO)O,
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1DQS,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CRB:A:401,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,CRB:B:401,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,1SG6,,,,,,,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1601,Part of Protein,,,,,[Zn+2],
,,1NR5,,,,,,,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:B:604,invalid,,,,,[Cl-],
,,,CO:B:602,invalid,,,,,[Co+2],
,,,CRB:A:1500,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,CRB:B:1501,valid,,,,,C1[C@@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)O)O)CP(=O)(O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3ZOK,,,,,,,
,,,NAD:B:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1381,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1382,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1381,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:D:1378,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1381,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1379,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1380,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1380,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1379,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1381,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1378,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1380,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1378,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1379,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1378,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1380,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1379,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLY:D:1387,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:1385,valid,,,,,C(C(=O)O)N,
,,,GLY:D:1386,valid,,,,,C(C(=O)O)N,
,,,GLY:A:1384,valid,,,,,C(C(=O)O)N,
,,,GLY:C:1383,valid,,,,,C(C(=O)O)N,
,,,PEG:A:1383,invalid,,,,,C(COCCO)O,
,,,PEG:D:1383,invalid,,,,,C(COCCO)O,
,,,PEG:D:1384,invalid,,,,,C(COCCO)O,
,,,PEG:D:1385,invalid,,,,,C(COCCO)O,
,,,PEG:A:1382,invalid,,,,,C(COCCO)O,
,,,2PE:B:1383,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PGE:B:1384,invalid,,,,,C(COCCOCCO)O,
,,,PG4:C:1382,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,5TPR,,,,,,,
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3CLH,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:344,Part of Protein,,,,,[Zn+2],
,,,ZN:B:344,Part of Protein,,,,,[Zn+2],
1.1.3.13,,,,,,,,,
,Family. Representative Entry is ,5HSA,,,,,,,
,,,FAS:H:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:G:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:C:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:F:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:D:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAS:E:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:B:704,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:703,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:704,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:703,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:702,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:705,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:702,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:703,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:703,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CA:D:704,Part of Protein,,,,,[Ca+2],
,,,CA:B:706,Part of Protein,,,,,[Ca+2],
,,,CA:F:706,Part of Protein,,,,,[Ca+2],
,,,CA:G:704,Part of Protein,,,,,[Ca+2],
,,,CA:C:707,Part of Protein,,,,,[Ca+2],
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,CA:C:708,Part of Protein,,,,,[Ca+2],
,,,CA:E:704,Part of Protein,,,,,[Ca+2],
,,,GOL:C:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:705,invalid,,,,,C(C(CO)O)O,
,,,P6G:F:703,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:703,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:703,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:F:702,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,CL:C:706,invalid,,,,,[Cl-],
4.2.1.96,,,,,,,,,
,Family. Representative Entry is ,1DCP,,,,,,,
,,,HBI:A:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:C:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:D:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:E:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:F:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:G:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:H:105,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
4.2.1.59,,,,,,,,,
,Family. Representative Entry is ,4CL6,,,,,,,
,,,7SB:E:501,valid,Ka,=,247000,M^-1,c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl,
,,,7SB:B:501,valid,Ka,=,247000,M^-1,c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl,
,,,7SB:C:501,valid,Ka,=,247000,M^-1,c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl,
,,,7SB:D:501,valid,Ka,=,247000,M^-1,c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl,
,,,7SB:A:501,valid,Ka,=,247000,M^-1,c1cc(oc1)c2[nH]nc(n2)NCc3ccc(cc3)Cl,
,Family. Representative Entry is ,4RLT,,,,,,,
,,,FSE:A:201,valid,Kd,=,10.9,uM,c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,4RLU,,,,,,,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,HCC:A:201,valid,,,,,c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,
,,,PGE:A:203,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:202,invalid,,,,,C(COCCOCCO)O,
,,4RLW,,,,,,,
,,,BUN:A:201,valid,,,,,c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
1.3.5.2,,,,,,,,,
,Family. Representative Entry is ,4ORM,,,,,,,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2V6:A:1001,valid,ic50,=,0.0018,uM,Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6VTN,,,,,,,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,RL7:A:1001,valid,ic50,=,0.044,uM,Cc1c(c[nH]c1C(=O)NC2CC2)Cc3ccc(cc3F)C(F)(F)F,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GLY ARG LYS HIS:A:563,invalid,,,,,,
,,3I65,,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,JZ8:A:1001,valid,ic50,=,0.047,uM,Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3,
,,,LDA:A:1004,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,6VTY,,,,,,,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:C:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:D:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:B:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,RLA:C:1001,valid,ic50,=,0.1,uM,CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C,
,,,RLA:A:1001,valid,ic50,=,0.1,uM,CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C,
,,,RLA:B:1001,valid,ic50,=,0.1,uM,CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C,
,,,RLA:D:1001,valid,ic50,=,0.1,uM,CCOC(=O)c1c(c(c([nH]1)C)Cc2ccc(cc2)C(F)(F)F)C,
,,6I55,,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,DZB:A:603,valid,ic50,=,12,uM,c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3,
,,,DZB:B:601,valid,ic50,=,12,uM,c1ccc(cc1)C(CNC(=O)c2c(nsn2)O)c3ccccc3,
,,,ORO:B:603,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:A:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,6GJG,,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:B:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:A:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,F1T:A:603,valid,,,,,Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F,
,,,F1T:B:603,valid,,,,,Cc1c2c(nc(nc2on1)C)Nc3ccc(cc3)C(F)(F)F,
,,,GLY ARG LYS HIS SER:A:563,invalid,,,,,,
,,,GLY ARG LYS HIS SER:B:563,invalid,,,,,,
,,4RX0,,,,,,,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,D65:A:1001,valid,,,,,Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5DEL,,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LDA:A:605,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,D59:A:603,valid,ic50,=,16,nM,Cc1c(cccc1[N+](=O)[O-])C(=O)Nc2cc(cc(c2)Cl)Cl,
,,,ORO:A:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,5TBO,,,,,,,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,ORO:A:1003,invalid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,GLY ARG LYS:A:563,invalid,,,,,,
,,,78Z:A:1001,valid,,,,,Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(nc3)C(F)(F)F,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LDA:A:1004,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,4CQ8,,,,,,,
,,,JBW:B:4000,valid,ic50,=,0.08,uM,Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N,
,,,JBW:A:4000,valid,ic50,=,0.08,uM,Cc1nc2c(cccc2n1c3ccc(s3)C(=O)NC4CC4)C#N,
,,,ORO:A:900,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:900,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3I68,,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,J4Z:A:1001,valid,ic50,=,0.056,uM,Cc1cc(n2c(n1)ncn2)Nc3ccc4cc5ccccc5cc4c3,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,6E0B,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,LDA:A:1007,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,GLY ARG LYS HIS:A:563,invalid,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,JZ8:A:1001,valid,,,,,Cc1cc([n+]2c(n1)[nH+]c[nH]2)Nc3ccc4ccccc4c3,
,,3O8A,,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LDA:A:1004,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,O8A:A:1001,valid,ic50,=,0.022,uM,Cc1nc2cc(ccc2n1c3ccc(s3)C(=O)NC4CC4)OC(F)(F)F,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,5FI8,,,,,,,
,,,5Y5:A:1001,valid,ic50,=,0.0046,uM,Cc1cc(n2c(n1)nc(n2)C(C)(F)F)N[C@H]3CCc4ccc(cc4C3)Br,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LDA:A:1004,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,1TV5,,,,,,,
,,,A26:A:1001,valid,Ki,~,1000,nM,C/C(=C(C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,N8E:A:1004,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,N8E:A:1005,valid,,,,,CCCCCCCCOCCOCCOCCOCCOCCO,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6I4B,,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:B:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:A:602,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,E2N:A:603,valid,ic50,=,2.8,uM,Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F,
,,,E2N:B:603,valid,ic50,=,2.8,uM,Cn1c(c(c(n1)O)C(=O)O)COc2cccc(c2)C(F)(F)F,
,,3I6R,,,,,,,
,,,FMN:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,J5Z:A:1001,valid,ic50,=,0.28,uM,Cc1cc(n2c(n1)ncn2)Nc3ccc(cc3)C(F)(F)F,
,,,ORO:A:1003,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,Family. Representative Entry is ,7K2U,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,VU7:A:403,valid,ic50,=,0.12,nM,Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)NOC,
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PGE:A:412,invalid,,,,,C(COCCOCCO)O,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,5ZF9,,,,,,,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9BR:A:409,valid,ic50,=,6,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C=O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3KVL,,,,,,,
,,,7Z5:A:402,valid,ic50,=,5.5,uM,CCC(=O)Nc1ccc(cc1C(=O)O)N(C)Cc2cccnc2,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,DET:A:400,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,DOR:A:399,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F1Q,,,,,,,
,,,ACY:A:2,invalid,,,,,CC(=O)O,
,,,ACY:A:399,invalid,,,,,CC(=O)O,
,,,BCE:A:397,valid,ic50,=,0.117,uM,C/C(=C(C#N)/C(=O)Nc1ccc(cc1)c2ccccc2)/O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FPT,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ILB:A:405,valid,ic50,=,33,nM,c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6LP6,,,,,,,
,,,LDA:A:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,invalid,,,,,[Na+],
,,,NA:A:414,invalid,,,,,[Na+],
,,,B6U:A:409,valid,ic50,=,1.2,nM,c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cc(ccc5F)CO)F)C2=O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,6J3B,,,,,,,
,,,NA:A:422,Part of Protein,,,,,[Na+],
,,,NA:A:423,Part of Protein,,,,,[Na+],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:414,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,FMN:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,CL:A:421,invalid,,,,,[Cl-],
,,,CL:A:419,invalid,,,,,[Cl-],
,,,CL:A:420,invalid,,,,,[Cl-],
,,,LDA:A:406,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,ORO:A:404,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,B5O:A:405,valid,ic50,=,171,nM,CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cc(ccc4F)CO)F)C(=O)C1,
,,3G0X,,,,,,,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MD7:A:2,valid,ic50,=,0.053,uM,c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)O)/C#N,
,,,ORO:A:1,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PRL,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,DDQ:A:700,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,R2C:A:400,valid,ic50,=,81,nM,COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CJF,,,,,,,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:502,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:502,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ZWI:B:504,invalid,,,,,CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],
,,,ZWI:B:505,invalid,,,,,CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],
,,,ZWI:A:504,invalid,,,,,CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],
,,,F54:A:503,valid,ic50,=,0.0262,uM,Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C,
,,,F54:B:503,valid,ic50,=,0.0262,uM,Cc1ccc(c(n1)Cl)c2ccc(cc2)c3c(c(c4cc(ccc4n3)F)C(=O)O)C,
,,3FJ6,,,,,,,
,,,ACT:A:2,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3,invalid,,,,,CC(=O)[O-],
,,,CIH:A:399,valid,ic50,=,0.022,uM,C/C(=C(C#N)/C(=O)Nc1ccc(c(c1)Cl)c2ccccc2Cl)/O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OQV,,,,,,,
,,,2V6:A:503,valid,ic50,=,1.6,uM,Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F,
,,,NA:A:507,invalid,,,,,[Na+],
,,,NA:A:509,invalid,,,,,[Na+],
,,,ORO:A:502,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ACY:A:505,invalid,,,,,CC(=O)O,
,,,ACY:A:504,invalid,,,,,CC(=O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2B0M,,,,,,,
,,,201:A:401,valid,,,,,c1ccc(cc1)c2ccc(cc2)c3cc(cc(c3)C(=O)O)C(=O)N,
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:403,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,5MVC,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,Y9B:A:403,valid,ic50,=,0.016,uM,c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c(nsn3)O)F)F,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,3U2O,,,,,,,
,,,03U:A:1,valid,ic50,=,110,nM,CC/C(=C(C#N)/C(=O)Nc1ccc(c(c1)C(=O)OC)c2ccc(cc2)F)/O,
,,,ACT:A:397,invalid,,,,,CC(=O)[O-],
,,,ACT:A:398,invalid,,,,,CC(=O)[O-],
,,,ACT:A:399,invalid,,,,,CC(=O)[O-],
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:501,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6LP8,,,,,,,
,,,LDA:A:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,invalid,,,,,[Na+],
,,,NA:A:414,invalid,,,,,[Na+],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B6O:A:409,valid,ic50,=,0.5,nM,CN(C)c1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,3KVM,,,,,,,
,,,951:A:402,valid,ic50,=,0.5,uM,c1ccc(c(c1)c2ccc(o2)/C=N/Nc3ccccc3C(=O)O)Cl,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,DET:A:400,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,DOR:A:399,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VND,,,,,,,
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:414,invalid,,,,,CC(=O)[O-],
,,,DDQ:A:404,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,DDQ:A:405,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:418,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:420,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:416,invalid,,,,,C(C(CO)O)O,
,,,DET:A:402,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,DET:A:403,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,ORO:A:411,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:410,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,R4P:A:401,valid,ic50,=,17,nM,Cc1ccccc1c2ccc(cc2)c3cc(c4c(c3)nnn4C)C(=O)O,
,,6QU7,,,,,,,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:401,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,JJE:A:403,valid,,,,,CCN1C(=NN(C1=O)c2cc(c(cc2F)C(=O)Nc3c(cccc3Cl)F)O[C@@H](C)C(F)(F)F)CO,
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1D3H,,,,,,,
,,,A26:A:397,valid,,,,,C/C(=C(C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FQI,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,FMN:A:698,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ILH:A:600,valid,ic50,=,7,nM,c1cc(cc(c1)OC(F)(F)F)c2c(c(c(c(c2F)F)NC(=O)C3=C(CC=C3)C(=O)O)F)F,
,,,ORO:A:699,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZFA,,,,,,,
,,,9BU:A:409,valid,ic50,=,21.5,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ZWS,,,,,,,
,,,ACT:A:1403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1404,invalid,,,,,CC(=O)[O-],
,,,AVQ:A:1402,valid,ic50,=,0.051,uM,Cc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O,
,,,CL:A:1401,invalid,,,,,[Cl-],
,,,FMN:A:1397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1398,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6J3C,,,,,,,
,,,FMN:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:406,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,LDA:A:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,B5X:A:407,valid,ic50,=,39,nM,CC(C)[C@@H]1Cc2c(nnn2c3cc(c(c(c3)F)c4cccc(c4)N(C)C)F)C(=O)C1,
,,5K9D,,,,,,,
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FNR:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:401,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,CE9:A:402,invalid,,,,,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,5ZFB,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,9BX:A:409,valid,,,,,Cc1c(c(c(c(c1Cl)O)C/C=C(/C)CC/C=C(/C)C=CC(=O)C(C)(C)O)O)C=O,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5MVD,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,U91:A:403,valid,ic50,=,0.041,uM,Cc1c(c(nn1C)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,5ZF8,,,,,,,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,9BO:A:410,valid,ic50,=,6.4,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CC/C=C(C)/[C@H](C)OC(=O)C)O)C=O,
,,5ZF7,,,,,,,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CHW:A:408,valid,ic50,=,63.9,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CC/C=C(C)/[C@H](C)O)O)C=O,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6JME,,,,,,,
,,,LDA:A:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,NA:A:412,invalid,,,,,[Na+],
,,,NA:A:413,invalid,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,BVU:A:409,valid,ic50,=,4.5,nM,c1ccc(c(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,2FPY,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ILF:A:407,valid,ic50,=,2,nM,c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)c3ccsc3C(=O)O)F,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5K9C,,,,,,,
,,,MLJ:A:402,valid,ic50,=,0.56,uM,c1ccc2c(c1)CCC[C@H]2NC(=O)CCNC(=O)c3ccc(cc3)OC(F)(F)F,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,FNR:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:401,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,3G0U,,,,,,,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MDY:A:2,valid,ic50,=,0.2,uM,C/C(=C(C#N)/C(=O)Nc1ccc(cc1Cl)c2ccccc2OC)/O,
,,,ORO:A:1,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,4IGH,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZWI:A:504,invalid,,,,,CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,1EA:A:503,valid,ic50,=,1,nM,Cc1cc(c(cc1c2cc(c3cc(ccc3n2)F)C(=O)O)C(C)C)Oc4ccccc4,
,,,ORO:A:502,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,6FMD,,,,,,,
,,,PGE:A:416,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:419,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:421,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:417,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:418,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:420,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,FMN:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,DUH:A:401,valid,ic50,=,0.0012,uM,c1ccc(cc1)c2c(c(c(c(c2F)F)NC(=O)c3c4ccccn4nc3O)F)F,
,,,ORO:A:411,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,3FJL,,,,,,,
,,,ACY:A:2,invalid,,,,,CC(=O)O,
,,,ACY:A:3,invalid,,,,,CC(=O)O,
,,,CJH:A:399,valid,ic50,=,0.13,uM,CCOc1cccc(c1)c2ccc(cc2)NC(=O)/C(=C(/C)O)/C#N,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PRH,,,,,,,
,,,238:A:400,valid,ic50,=,15,nM,Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)Cl)C(=O)O,
,,,DDQ:A:630,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,2FPV,,,,,,,
,,,ACT:A:400,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ILC:A:405,valid,ic50,=,44,nM,COc1cccc(c1)c2ccc(c(c2)F)NC(=O)c3ccsc3C(=O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6JMD,,,,,,,
,,,LDA:A:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,BVO:A:408,valid,ic50,=,1.2,nM,c1ccc2c(c1)C(=O)c3c(n(nn3)c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,3ZWT,,,,,,,
,,,ACT:A:1402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1403,invalid,,,,,CC(=O)[O-],
,,,CL:A:1404,invalid,,,,,[Cl-],
,,,FMN:A:1397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,KFZ:A:1401,valid,ic50,=,0.013,uM,CCc1cc(n2c(n1)nc(n2)SCc3cc(ccc3Cl)Cl)O,
,,,ORO:A:1398,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KVK,,,,,,,
,,,6X1:A:401,valid,ic50,=,0.7,uM,c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,,DET:A:400,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,DOR:A:399,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6OC0,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORO:A:401,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,M4J:A:406,valid,,,,,c1ccc2c(c1)ccc3c2ccc(c3)c4cc(nn4c5ccc(cc5)NC(=O)CN)C(F)(F)F,
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1D3G,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,BRE:A:397,valid,,,,,Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O,
,,,DDQ:A:700,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BXV,,,,,,,
,,,3FT:A:1401,valid,ic50,=,280,nM,c1cc(cc(c1)OC(F)(F)F)c2ccc(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O,
,,,ACT:A:1398,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:1400,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KVJ,,,,,,,
,,,1X5:A:402,valid,ic50,=,0.1,uM,CN(Cc1cccnc1)c2ccc(c(c2)C(=O)O)NC(=O)C3CC3,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,DET:A:400,invalid,,,,,CCCCCCCCCCC[N+](C)(C)[O-],
,,,DOR:A:399,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MUT,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,HYT:A:403,valid,ic50,=,0.045,uM,Cn1nc(c(n1)O)C(=O)Nc2c(c(c(c(c2F)F)c3ccccc3)F)F,
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,2WV8,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,DDQ:A:401,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,invalid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VGN:A:400,valid,ic50,=,0.21,uM,CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3,
,,5ZF4,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,9BL:A:412,valid,ic50,=,4.2,nM,Cc1c(c(c(c(c1Cl)O)C/C=C(C)/CC/C=C(C)/C(=O)OC)O)C=O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6ET4,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,SDV:A:503,valid,ic50,=,11,nM,c1ccc2c(c1)c(on2)C(=O)N[C@@H]3CCCc4c3cnn4c5ccccc5F,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,ACY:A:506,invalid,,,,,CC(=O)O,
,,,ACY:A:505,invalid,,,,,CC(=O)O,
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DDQ:A:504,invalid,,,,,CCCCCCCCCC[N+](C)(C)[O-],
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,DOR:A:502,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,6LP7,,,,,,,
,,,LDA:A:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,B6R:A:407,valid,ic50,=,9,nM,COc1cccc(c1)c2c(cc(cc2F)n3c4c(nn3)C(=O)c5ccccc5C4=O)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ORO:A:402,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,Family. Representative Entry is ,1F76,,,,,,,
,,,FMN:A:1337,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1437,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1537,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:1637,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMT:B:1438,invalid,,,,,C(=O)O,
,,,FMT:B:1439,invalid,,,,,C(=O)O,
,,,FMT:B:1440,invalid,,,,,C(=O)O,
,,,FMT:D:1538,invalid,,,,,C(=O)O,
,,,FMT:D:1539,invalid,,,,,C(=O)O,
,,,FMT:E:1638,invalid,,,,,C(=O)O,
,,,FMT:E:1639,invalid,,,,,C(=O)O,
,,,FMT:E:1640,invalid,,,,,C(=O)O,
,,,ORO:A:1338,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:A:1339,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:D:1540,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
2.4.1.182,,,,,,,,,
,Family. Representative Entry is ,5W8X,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
2.3.1.28,,,,,,,,,
,Family. Representative Entry is ,1QCA,,,,,,,
,,,CO:A:222,Part of Protein,,,,,[Co+2],
,,,CO:A:223,Part of Protein,,,,,[Co+2],
,,,FUA:A:221,valid,Ki,=,5.4,uM,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,4CLA,,,,,,,
,,,CLM:A:221,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CO:A:222,Part of Protein,,,,,[Co+2],
,,,CO:A:223,Part of Protein,,,,,[Co+2],
,,3CLA,,,,,,,
,,,CLM:A:221,valid,Kd,=,13,uM,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CO:A:222,Part of Protein,,,,,[Co+2],
,,,CO:A:223,Part of Protein,,,,,[Co+2],
,,1CLA,,,,,,,
,,,CLM:A:221,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,,CO:A:222,Part of Protein,,,,,[Co+2],
,,,CO:A:223,Part of Protein,,,,,[Co+2],
,Family. Representative Entry is ,1Q23,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,FUA:A:702,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:B:703,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:C:701,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:D:705,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:E:706,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:F:704,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:G:708,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:H:709,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:I:707,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:J:711,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:K:712,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:L:710,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
5.3.1.8,,,,,,,,,
,Family. Representative Entry is ,5NW7,,,,,,,
,,,9C2:A:502,valid,Ki,=,1.7,uM,C([C@H]([C@H]([C@@H](C(=O)NN)O)O)O)OP(=O)(O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
2.1.1.204,,,,,,,,,
,Family. Representative Entry is ,6FDF,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,SAH:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.2.1.101,,,,,,,,,
,Family. Representative Entry is ,5N0F,,,,,,,
,,,7K2:A:401,valid,Kd,=,0.9,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,7K2:B:401,valid,Kd,=,0.9,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CS[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,4D4B,,,,,,,
,,,MSX MAN:C:1,valid,,,,,S(CC1C(O)C(O)C(O)C(SC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MSX MAN:D:1,valid,,,,,S(CC1C(O)C(O)C(O)C(SC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,4D4C,,,,,,,
,,,DMJ MAN:B:500,valid,Ki,=,386.9,uM,,
,,,DMJ MAN:A:500,valid,Ki,=,386.9,uM,,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,4D4D,,,,,,,
,,,IFM MAN:B:400,valid,Kd,=,1.12,uM,O(CC1C(O)C(O)C[NH2+]C1)C1C(O)C(O)C(O)C(CO)O1,
,,,IFM MAN:A:400,valid,Kd,=,1.12,uM,O(CC1C(O)C(O)C[NH2+]C1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,5AGD,,,,,,,
,,,MAN MAN MAN MAN MAN:B:500,valid,,,,,,
,,,MAN MAN MAN MAN MAN:A:500,valid,,,,,,
,,,BMA MAN MAN MAN MAN:C:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:D:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,6RY7,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,BGC:B:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6RY1,,,,,,,
,,,PGE:A:704,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,MAN:A:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,6RY2,,,,,,,
,,,PGE:A:704,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:A:705,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,6RY6,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,PA1:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,6RY5,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,BMA MAN:B:1,valid,,,,,,
,,,BMA:B:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,MAN:B:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
2.5.1.21,,,,,,,,,
,Family. Representative Entry is ,1KZO,,,,,,,
,,,ACY:B:3002,invalid,,,,,CC(=O)O,
,,,FAR:C:12,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,FPP:B:1002,valid,Kd,=,5,nM,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1D8D,,,,,,,
,,,ACT:B:3002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3003,invalid,,,,,CC(=O)[O-],
,,,ACT:P:3000,invalid,,,,,CC(=O)[O-],
,,,ACT:P:3001,invalid,,,,,CC(=O)[O-],
,,,FII:B:1000,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3WCA,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,FPS:C:402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:C:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:501,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:D:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3WCC,,,,,,,
,,,E5S:B:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:A:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:C:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:D:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,Family. Representative Entry is ,3V66,,,,,,,
,,,D3A:A:402,valid,ic50,=,1.3,nM,COc1cccc(c1OC)[C@@H]2c3cc(ccc3-n4cccc4[C@H](O2)CC(=O)N5CCC(CC5)CC(=O)O)Cl,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3WCF,,,,,,,
,,,BH8:E:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,,BH8:A:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,,BH8:B:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,,BH8:D:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,,BH8:C:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,,BH8:F:401,valid,ic50,=,0.053,uM,CCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)P(=O)(O)[O-],
,,1EZF,,,,,,,
,,,IN0:A:991,valid,,,,,CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl,
,,,IN0:B:992,valid,,,,,CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl,
,,,IN0:C:995,valid,,,,,CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc4c3cccc4)Cl,
,,3Q2Z,,,,,,,
,,,D9A:A:700,valid,,,,,CC(C)(C)CN1c2ccc(cc2[C@H](O[C@@H](C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)c3cccc(c3OC)OC)Cl,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ASX,,,,,,,
,,,D99:A:1,valid,ic50,=,20,nM,CC(C)(C)CN(c1ccc(cc1[C@@H](c2ccccc2Cl)O)Cl)C(=O)CCC(=O)N3CCC[C@H](C3)C(=O)O,
,,,PO4:A:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3WCH,,,,,,,
,,,8PH:B:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:B:402,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:A:402,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:D:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:F:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:F:402,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:A:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:E:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:C:401,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,,8PH:A:403,valid,ic50,=,0.089,uM,CCCCCCCCCC[n+]1ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-],
,,3Q30,,,,,,,
,,,D61:A:700,valid,,,,,c1ccc2cc(ccc2c1)CCCCCNC(=O)[C@@H]([C@H](C(=O)O)OCC(=O)O)OCCCCCc3ccc4ccccc4c3,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3WCM,,,,,,,
,,,ER4:B:401,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,,ER4:C:401,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,,ER4:D:401,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,,ER4:F:401,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,,ER4:A:901,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,,ER4:E:401,valid,,,,,COCCCOc1ccc(c(n1)Cc2ccccc2)C#C[C@]3(CN4CCC3CC4)O,
,,3WCJ,,,,,,,
,,,E5S:B:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:A:901,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:E:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:F:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:C:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,,E5S:D:401,valid,,,,,CO[C@H]1CN(C[C@H]1O)c2ccc(c(n2)Cc3ccccc3)C#C[C@]4(CN5CCC4CC5)O,
,,3WCI,,,,,,,
,,,BH5:C:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,,BH5:B:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,,BH5:E:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,,BH5:A:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,,BH5:F:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,,BH5:D:401,valid,ic50,=,0.27,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O)(O)O)P(=O)(O)[O-],
,,3WCL,,,,,,,
,,,BH3:A:401,valid,ic50,=,0.26,uM,CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@@H](P(=O)(O)O)P(=O)(O)[O-],
,Family. Representative Entry is ,4OKZ,,,,,,,
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,,,3E9:C:904,valid,,,,,C[C@@H](CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,,3E9:D:904,valid,,,,,C[C@@H](CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,,3E9:B:904,valid,,,,,C[C@@H](CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,,3E9:A:904,valid,,,,,C[C@@H](CC/C=C(C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O,
,,4OKM,,,,,,,
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,,,PPV:A:904,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:C:904,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:904,valid,,,,,OP(=O)(O)OP(=O)(O)O,
4.1.99.4,,,,,,,,,
,Family. Representative Entry is ,1J0D,,,,,,,
,,,5PA:A:1401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:B:1501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:C:1601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,,5PA:D:1701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC2(CC2)C(=O)O)O,
,,1J0E,,,,,,,
,,,1AC:A:1001,valid,,,,,C1CC1(C(=O)O)N,
,,,1AC:B:2001,valid,,,,,C1CC1(C(=O)O)N,
,,,1AC:C:3001,valid,,,,,C1CC1(C(=O)O)N,
,,,1AC:D:4001,valid,,,,,C1CC1(C(=O)O)N,
,,,PLP:A:1401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1601,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1701,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
2.7.1.63,,,,,,,,,
,Family. Representative Entry is ,1WOQ,,,,,,,
,,,BGC:A:290,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:291,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PO4:A:280,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:281,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:282,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:283,invalid,,,,,[O-]P(=O)([O-])[O-],
2.7.1.67,,,,,,,,,
,Family. Representative Entry is ,4WTV,,,,,,,
,,,ATP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.5.1.15,,,,,,,,,
,Family. Representative Entry is ,1AJ0,,,,,,,
,,,PH2:A:559,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,SAN:A:561,valid,,,,,c1cc(ccc1N)S(=O)(=O)N,
,,,SO4:A:284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5U10,,,,,,,
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PT1:B:302,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,,PT1:A:302,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,5U0W,,,,,,,
,,,9MG:A:301,valid,,,,,Cn1cnc2c1nc(nc2O)N,
,,,9MG:B:301,valid,,,,,Cn1cnc2c1nc(nc2O)N,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,5U0V,,,,,,,
,,,ACY:B:301,invalid,,,,,CC(=O)O,
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,7VJ:A:301,valid,,,,,CNC1=C(C(=O)NC(=N1)N)N=O,
,,,7VJ:B:302,valid,,,,,CNC1=C(C(=O)NC(=N1)N)N=O,
,,5U14,,,,,,,
,,,7PV:B:301,valid,,,,,c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N,
,,,7PV:A:301,valid,,,,,c1cc(ccc1CCSc2[nH]c3c(n2)C(=O)NC(=N3)N)S(=O)(=O)N,
,,5U0Z,,,,,,,
,,,7PM:A:301,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,7PM:B:301,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)Sc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,5V7A,,,,,,,
,,,8Y7:B:302,valid,,,,,Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N,
,,,8Y7:A:301,valid,,,,,Cn1c2c(nc1SCC(=O)O)C(=O)NC(=N2)N,
,,,CL:B:301,invalid,,,,,[Cl-],
,,5U0Y,,,,,,,
,,,7PJ:A:301,valid,,,,,C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,7PJ:B:301,valid,,,,,C(C(=O)O)Sc1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,5V79,,,,,,,
,,,NO3:A:303,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:302,invalid,,,,,[N+](=O)([O-])[O-],
,,,8Y4:B:301,valid,,,,,Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N,
,,,8Y4:A:301,valid,,,,,Cn1c2c(nc1SCC(=O)Nc3ccccc3)C(=O)NC(=N2)N,
,,5U13,,,,,,,
,,,YH5:A:301,valid,,,,,COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,YH5:B:301,valid,,,,,COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,5U11,,,,,,,
,,,7PS:A:301,valid,,,,,CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,7PS:B:301,valid,,,,,CNC(=O)CSc1[nH]c2c(n1)C(=O)NC(=N2)N,
,,5U12,,,,,,,
,,,5RU:A:301,valid,,,,,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F,
,,,5RU:B:301,valid,,,,,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F,
,,1AJ2,,,,,,,
,,,2PH:A:283,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O,
,,,SO4:A:284,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3H22,,,,,,,
,,,B53:A:901,valid,ic50,=,8,uM,C1(=C(N=C(NC1=O)N)N)N=O,
,,,B53:B:902,valid,ic50,=,8,uM,C1(=C(N=C(NC1=O)N)N)N=O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D8Z,,,,,,,
,,,0J2:A:305,valid,Kd,=,0.51,uM,C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,,0J2:B:306,valid,Kd,=,0.51,uM,C[C@H](CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DB7,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z25:A:301,valid,Kd,=,0.273,uM,C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,,Z25:B:301,valid,Kd,=,0.273,uM,C(CC(=O)O)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,4D8A,,,,,,,
,,,0HY:A:305,valid,,,,,C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,,0HY:B:306,valid,,,,,C[C@H](CC(=O)OC)C1=NNC2=C(C1=O)C(=O)NC(=N2)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DAF,,,,,,,
,,,0J4:A:301,valid,Kd,=,0.076,uM,C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O,
,,,0J4:B:301,valid,Kd,=,0.076,uM,C[C@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NIL,,,,,,,
,,,2O8:B:307,valid,,,,,c1cc(ccc1C(=O)N)SC(F)(F)F,
,,,2O8:A:306,valid,,,,,c1cc(ccc1C(=O)N)SC(F)(F)F,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TX2,,,,,,,
,,,680:A:502,valid,,,,,CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-],
,,,680:B:501,valid,,,,,CNC1=C(C(=O)NC(=N1)N)[N+](=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TWW,,,,,,,
,,,HH2:A:282,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,HH2:B:282,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TYE,,,,,,,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XHP:B:901,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,,XTZ:A:801,valid,,,,,c1cc(ccc1NCC2=NC3=C(NC2)N=C(NC3=O)N)S(=O)(=O)Nc4nccs4,
,,,YTZ:B:902,valid,,,,,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,3H2M,,,,,,,
,,,B61:A:901,valid,ic50,=,215,uM,CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O,
,,,B61:B:902,valid,ic50,=,215,uM,CC(C)(CC1=NC2=C(N=C(NC2=O)N)N(C1)C)O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H24,,,,,,,
,,,B55:A:901,valid,,,,,c12c([nH]c(n1)S)N=C(NC2=O)N,
,,,B55:B:902,valid,,,,,c12c([nH]c(n1)S)N=C(NC2=O)N,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TYC,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XHP:A:701,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,,XHP:B:702,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,3H2F,,,,,,,
,,,B60:A:901,valid,ic50,=,86.7,uM,CN1CC=NC2=C1N=C(NC2=O)N,
,,,B60:B:902,valid,ic50,=,86.7,uM,CN1CC=NC2=C1N=C(NC2=O)N,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TX0,,,,,,,
,,,PT1:A:283,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,,PT1:B:283,valid,,,,,c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H21,,,,,,,
,,,B52:A:278,valid,ic50,=,19.8,uM,C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O,
,,,B52:B:278,valid,ic50,=,19.8,uM,C[C@H](C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C)C(=O)O,
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D9P,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z17:A:306,valid,ic50,=,145,uM,C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C,
,,,Z17:B:306,valid,ic50,=,145,uM,C[C@H](CC(=O)O)C1=NN(C2=C(C1=O)C(=O)NC(=N2)N)C,
,,3H26,,,,,,,
,,,B56:A:901,valid,ic50,=,32.4,uM,CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O,
,,,B56:B:902,valid,ic50,=,32.4,uM,CN1CC(=NC2=C1N=C(NC2=O)N)C(=O)O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TYD,,,,,,,
,,,POP:A:701,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:702,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XHP:A:801,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,,XHP:B:802,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,4DAI,,,,,,,
,,,0J5:A:301,valid,Kd,=,110,nM,C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O,
,,,0J5:B:301,valid,Kd,=,110,nM,C(C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NHV,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2O6:A:308,valid,,,,,c1cc2c(cc1C(F)(F)F)c(no2)N,
,,,2O6:B:309,valid,,,,,c1cc2c(cc1C(F)(F)F)c(no2)N,
,,3H2N,,,,,,,
,,,B62:A:901,valid,ic50,=,212.6,uM,C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,B62:B:902,valid,ic50,=,212.6,uM,C[C@@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NL1,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z13:A:301,valid,,,,,c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F,
,,,Z13:B:301,valid,,,,,c1cc(ccc1CN=Cc2ccc(cc2)C(F)(F)F)C(F)(F)F,
,,3H23,,,,,,,
,,,B54:A:511,valid,ic50,=,19.3,uM,c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O,
,,,B54:B:502,valid,ic50,=,19.3,uM,c1cc(ccc1C(=O)O)OCCCNC2=C(C(=O)NC(=N2)N)N=O,
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H2A,,,,,,,
,,,B57:A:901,valid,ic50,=,108.9,uM,C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-],
,,,B57:B:902,valid,ic50,=,108.9,uM,C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-],
,,,SO4:A:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:279,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:280,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NIR,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6DH:A:307,valid,,,,,c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO,
,,,6DH:A:308,valid,,,,,c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO,
,,,6DH:B:306,valid,,,,,c1cc2c(cc1C(F)(F)F)[nH]c(n2)CCCO,
,Family. Representative Entry is ,1EYE,,,,,,,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,PMM:A:301,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O,
,Family. Representative Entry is ,6CLV,,,,,,,
,,,6MB:B:300,valid,,,,,Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C,
,,,6MB:C:300,valid,,,,,Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C,
,,,6MB:A:300,valid,,,,,Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C,
,,1AD4,,,,,,,
,,,HH2:A:271,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,K:A:270,Part of Protein,,,,,[K+],
,,,K:B:268,Part of Protein,,,,,[K+],
,,,MN:A:268,Part of Protein,,,,,[Mn+2],
,,,MN:A:269,Part of Protein,,,,,[Mn+2],
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2VEG,,,,,,,
,,,PMM:A:1304,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O,
,,,PO4:A:1305,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3TYZ,,,,,,,
,,,MG:A:281,Part of Protein,,,,,[Mg+2],
,,,MG:B:281,Part of Protein,,,,,[Mg+2],
,,,PAB:A:280,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,PAB:B:280,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,POP:A:279,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:279,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,XHP:A:278,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,,XHP:B:278,valid,,,,,C=C1CN=C2C(=N1)C(=O)NC(=N2)N,
,,3TZF,,,,,,,
,,,08D:B:280,valid,,,,,Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)N,
,,,HH2:A:278,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,HH2:B:278,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:279,Part of Protein,,,,,[Mg+2],
,,,MG:B:279,Part of Protein,,,,,[Mg+2],
,,5JQ9,,,,,,,
,,,6MB:B:301,valid,,,,,Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C,
,,,6MB:A:301,valid,,,,,Cc1c(noc1NS(=O)(=O)c2ccc(cc2)NCc3cnc4c(n3)C(=O)NC(=N4)N)C,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4PZV,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,J1D:A:501,valid,Kd,=,2,uM,CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C,
,,3MCN,,,,,,,
,,,B57:B:423,valid,,,,,C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-],
,,,B57:B:424,valid,,,,,C1(=C(N=C(NC1=O)N)N)[N+](=O)[O-],
,,,MG:A:423,Part of Protein,,,,,[Mg+2],
,,,MG:B:425,Part of Protein,,,,,[Mg+2],
,,,MG:B:426,Part of Protein,,,,,[Mg+2],
,,3MCO,,,,,,,
,,,APC:A:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:425,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:426,Part of Protein,,,,,[Mg+2],
,,,MG:A:427,Part of Protein,,,,,[Mg+2],
,,,MG:B:426,Part of Protein,,,,,[Mg+2],
,,,MG:B:427,Part of Protein,,,,,[Mg+2],
,,,PH2:A:423,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:A:424,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:B:423,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:B:424,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,Family. Representative Entry is ,2Y5S,,,,,,,
,,,78H:A:1293,valid,,,,,c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N,
,,,78H:B:1293,valid,,,,,c1cc(ccc1C(=O)O)NCC2=NC3=C(NC2)N=C(NC3=O)N,
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:B:1294,invalid,,,,,[Cl-],
,,,EDO:A:1295,invalid,,,,,C(CO)O,
,,,EDO:A:1296,invalid,,,,,C(CO)O,
,,,EDO:A:1297,invalid,,,,,C(CO)O,
,,,EDO:A:1298,invalid,,,,,C(CO)O,
,,,EDO:A:1299,invalid,,,,,C(CO)O,
,,,EDO:A:1300,invalid,,,,,C(CO)O,
,,,EDO:A:1301,invalid,,,,,C(CO)O,
,,,EDO:A:1302,invalid,,,,,C(CO)O,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,,,EDO:B:1295,invalid,,,,,C(CO)O,
,,,EDO:B:1296,invalid,,,,,C(CO)O,
,,,EDO:B:1297,invalid,,,,,C(CO)O,
,,,EDO:B:1298,invalid,,,,,C(CO)O,
,,,EDO:B:1299,invalid,,,,,C(CO)O,
3.1.1.5,,,,,,,,,
,Family. Representative Entry is ,6QRN,,,,,,,
,,,RIP:A:500,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,6A1T,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6L67,,,,,,,
,,,GAL:A:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6L6A,,,,,,,
,,,BMA:A:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,6L68,,,,,,,
,,,ALL:A:201,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ALL:A:202,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1G86,,,,,,,
,,,NEQ:A:143,valid,,,,,CCN1C(=O)C=CC1=O,
,,,NEQ:A:153,valid,,,,,CCN1C(=O)C=CC1=O,
,,6L6C,,,,,,,
,,,64K:A:201,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,64K:A:202,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,6L6B,,,,,,,
,,,FUL:A:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,1QKQ,,,,,,,
,,,MAN:A:858,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1HDK,,,,,,,
,,,PMB:A:929,valid,,,,,c1cc(ccc1S(=O)(=O)O)[Hg],
,,,PMB:A:957,valid,,,,,c1cc(ccc1S(=O)(=O)O)[Hg],
,,6L64,,,,,,,
,,,BGC:A:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:203,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6L6D,,,,,,,
,,,NGA:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1V2G,,,,,,,
,,,IMD:A:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,OCA:A:201,valid,,,,,CCCCCCCC(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1U8U,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,OCA:A:201,valid,,,,,CCCCCCCC(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.13.3,,,,,,,,,
,Family. Representative Entry is ,3EHG,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IOD:A:10,invalid,,,,,[I-],
,,,IOD:A:11,invalid,,,,,[I-],
,,,IOD:A:12,invalid,,,,,[I-],
,,,IOD:A:13,invalid,,,,,[I-],
,,,IOD:A:2,invalid,,,,,[I-],
,,,IOD:A:3,invalid,,,,,[I-],
,,,IOD:A:4,invalid,,,,,[I-],
,,,IOD:A:5,invalid,,,,,[I-],
,,,IOD:A:6,invalid,,,,,[I-],
,,,IOD:A:7,invalid,,,,,[I-],
,,,IOD:A:8,invalid,,,,,[I-],
,,,IOD:A:9,invalid,,,,,[I-],
,,,MG:A:371,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3T50,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3BY8,,,,,,,
,,,MLT:A:1,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,3BY9,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,SIN:A:287,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:288,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,3S7O,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,LBV:A:330,valid,,,,,C/C=C/1C(C(=O)NC1=C/c2c(c(c([nH]2)/C=C3/C(=C(C(=[NH+]3)/C=C4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)CCC(=O)O)C)C,
,Family. Representative Entry is ,3EHH,,,,,,,
,,,ADP:A:2500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:3500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,3EHJ,,,,,,,
,,,ACP:A:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4PL9,,,,,,,
,,,CD:A:609,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,,CD:A:605,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:610,invalid,,,,,[Cd+2],
,,,CD:A:606,invalid,,,,,[Cd+2],
,,,CD:A:607,invalid,,,,,[Cd+2],
,,,CD:A:611,invalid,,,,,[Cd+2],
,,,CD:A:608,invalid,,,,,[Cd+2],
,,,ACT:A:614,invalid,,,,,CC(=O)[O-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,ADP:A:613,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3A0T,,,,,,,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6LKI,,,,,,,
,,,MLA:A:401,valid,,,,,C(C(=O)O)C(=O)O,
,,6LKG,,,,,,,
,,,G6P:C:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3T4L,,,,,,,
,,,MLI:A:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZEA:A:400,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:400,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,3T4O,,,,,,,
,,,MLI:A:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,WA2:A:400,valid,,,,,C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO,
,,,WA2:B:400,valid,,,,,C[C@H](CCNc1c2c(nc[nH]2)ncn1)CO,
,,3T4T,,,,,,,
,,,MLI:B:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,WA1:A:400,valid,,,,,c1ccc(cc1)NC(=O)Nc2cnns2,
,,,WA1:B:400,valid,,,,,c1ccc(cc1)NC(=O)Nc2cnns2,
,,3T4J,,,,,,,
,,,MLI:B:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZIP:A:400,valid,,,,,CC(=CCNc1c2c([nH]cn2)ncn1)C,
,,,ZIP:B:400,valid,,,,,CC(=CCNc1c2c([nH]cn2)ncn1)C,
,,3T4K,,,,,,,
,,,EMU:A:400,valid,,,,,c1ccc(cc1)CNc2c3c([nH]cn3)ncn2,
,,,EMU:B:400,valid,,,,,c1ccc(cc1)CNc2c3c([nH]cn3)ncn2,
,,,MLI:B:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,3T4S,,,,,,,
,,,H35:A:400,valid,,,,,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,,,H35:B:400,valid,,,,,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,,,MLI:B:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,3T4Q,,,,,,,
,,,MLI:B:1,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZEA:A:400,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:400,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,Family. Representative Entry is ,5UKV,,,,,,,
,,,PG0:B:402,valid,,,,,COCCOCCO,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,K:A:401,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,4R38,,,,,,,
,,,RBF:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:D:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,3D36,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:478,Part of Protein,,,,,[Mg+2],
,,,MG:B:477,Part of Protein,,,,,[Mg+2],
,,,MPD:B:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:702,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:703,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:701,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2GJ3,,,,,,,
,,,EOH:B:416,invalid,,,,,CCO,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:623,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:624,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:626,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:625,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1P0Z,,,,,,,
,,,10485_10486_10487_10488_10489_10490_10491_10492_10493_10494_10495_10496_10497_10498_10499_10500_10501_10502_10503_10504_10505_10506_10507_10508_10509_10510_10511_10512_10513_10514_10515_:A:1630,invalid,,,,,,
,,,10534_10535_10536_10537_10538_10539_10540_10541_10542_10543_10544_10545_10546_10547_10548_10549_10550_10551_10552_10553_10554_10555_10556_10557_10558_10559_10560_10561_10562_10563_10564_:B:1634,invalid,,,,,,
,,,10583_10584_10585_10586_10587_10588_10589_10590_10591_10592_10593_10594_10595_10596_10597_10598_10599_10600_10601_10602_10603_10604_10605_10606_10607_10608_10609_10610_10611_10612_10613_:C:1638,invalid,,,,,,
,,,10632_10633_10634_10635_10636_10637_10638_10639_10640_10641_10642_10643_10644_10645_10646_10647_10648_10649_10650_10651_10652_10653_10654_10655_10656_10657_10658_10659_10660_10661_10662_:D:1642,invalid,,,,,,
,,,10681_10682_10683_10684_10685_10686_10687_10688_10689_10690_10691_10692_10693_10694_10695_10696_10697_10698_10699_10700_10701_10702_10703_10704_10705_10706_10707_10708_10709_10710_10711_:E:1646,invalid,,,,,,
,,,10730_10731_10732_10733_10734_10735_10736_10737_10738_10739_10740_10741_10742_10743_10744_10745_10746_10747_10748_10749_10750_10751_10752_10753_10754_10755_10756_10757_10758_10759_10760_:F:1650,invalid,,,,,,
,,,10779_10780_10781_10782_10783_10784_10785_10786_10787_10788_10789_10790_10791_10792_10793_10794_10795_10796_10797_10798_10799_10800_10801_10802_10803_10804_10805_10806_10807_10808_10809_:G:1654,invalid,,,,,,
,,,10828_10829_10830_10831_10832_10833_10834_10835_10836_10837_10838_10839_10840_10841_10842_10843_10844_10845_10846_10847_10848_10849_10850_10851_10852_10853_10854_10855_10856_10857_10858_:H:1658,invalid,,,,,,
,,,10877_10878_10879_10880_10881_10882_10883_10884_10885_10886_10887_10888_10889_10890_10891_10892_10893_10894_10895_10896_10897_10898_10899_10900_10901_10902_10903_10904_10905_10906_10907_:I:1662,invalid,,,,,,
,,,10926_10927_10928_10929_10930_10931_10932_10933_10934_10935_10936_10937_10938_10939_10940_10941_10942_10943_10944_10945_10946_10947_10948_10949_10950_10951_10952_10953_10954_10955_10956_:J:1666,invalid,,,,,,
,,,FLC:A:1632,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1636,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1640,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1644,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:1648,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:1652,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:G:1656,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:H:1660,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:1664,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:J:1668,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NA:A:1633,Part of Protein,,,,,[Na+],
,,,NA:B:1637,Part of Protein,,,,,[Na+],
,,,NA:C:1641,Part of Protein,,,,,[Na+],
,,,NA:D:1645,Part of Protein,,,,,[Na+],
,,,NA:E:1649,Part of Protein,,,,,[Na+],
,,,NA:F:1653,Part of Protein,,,,,[Na+],
,,,NA:G:1657,Part of Protein,,,,,[Na+],
,,,NA:H:1661,Part of Protein,,,,,[Na+],
,,,NA:I:1665,Part of Protein,,,,,[Na+],
,,,NA:J:1669,Part of Protein,,,,,[Na+],
,,,OMO:A:1631,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:B:1635,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:C:1639,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:D:1643,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:E:1647,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:F:1651,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:G:1655,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:H:1659,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:I:1663,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:J:1667,Part of Protein,,,,,O[Mo+6](=O)O,
,,2J80,,,,,,,
,,,FLC:A:1133,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1130,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:1136,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1132,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1134,Part of Protein,,,,,[Na+],
,,,NA:B:1131,Part of Protein,,,,,[Na+],
,,,SO4:A:1135,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5HWV,,,,,,,
,,,MBN:B:201,valid,Kd,=,8.5,uM,Cc1ccccc1,
,,,MBN:A:501,valid,Kd,=,8.5,uM,Cc1ccccc1,
,,5HWW,,,,,,,
,,,XBZ:B:201,valid,,,,,Cc1ccc(c(c1)C)C,
,,,XBZ:A:201,valid,,,,,Cc1ccc(c(c1)C)C,
,Family. Representative Entry is ,3EWK,,,,,,,
,,,CL:A:327,invalid,,,,,[Cl-],
,,,FAD:A:326,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:386,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4BIX,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:1457,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3E4O,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,SIN:A:701,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:801,valid,,,,,C(CC(=O)O)C(=O)O,
,,3E4P,,,,,,,
,,,MLA:A:701,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,SR:A:502,invalid,,,,,[Sr+2],
,,,SR:B:501,invalid,,,,,[Sr+2],
,,,SR:B:503,invalid,,,,,[Sr+2],
,Family. Representative Entry is ,4JGP,,,,,,,
,,,PYR:A:301,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:301,valid,,,,,CC(=O)C(=O)O,
,,4JGO,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,PYR:A:301,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:301,valid,,,,,CC(=O)C(=O)O,
2.3.3.10,,,,,,,,,
,Family. Representative Entry is ,1XPM,,,,,,,
,,,CAA:A:1402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:2402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:3402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:4402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HMG:A:1401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:B:2401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:C:3401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:D:4401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XPL,,,,,,,
,,,CAA:A:1401,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:2401,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:3401,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:4401,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5HWO,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HMG:A:501,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,5HWP,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5HWQ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CAA:A:501,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HWR,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:507,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2P8U,,,,,,,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:981,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1XPK,,,,,,,
,,,CAA:A:1402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:2402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:4402,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HMG:A:1401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:C:3401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:D:4401,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WYA,,,,,,,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,HMG:A:1509,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:B:1509,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:C:1509,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:D:1509,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
2.1.1.237,,,,,,,,,
,Family. Representative Entry is ,4X7Y,,,,,,,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4X81,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MVI:A:305,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,MVI:B:305,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,4X7X,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,3ZP:A:303,valid,,,,,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC,
,,,3ZP:B:303,valid,,,,,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC,
,,4X7Z,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,,,ZM3:A:305,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,,ZM3:B:304,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,4X7W,,,,,,,
,,,MVI:A:303,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,MVI:B:303,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)O,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4XVY,,,,,,,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4X7U,,,,,,,
,,,ZM3:A:303,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,,ZM3:B:303,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4X7V,,,,,,,
,,,MIV:B:302,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MIV:A:302,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
2.7.4.2,,,,,,,,,
,Family. Representative Entry is ,3GON,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,PMV:A:400,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
1.1.1.189,,,,,,,,,
,Family. Representative Entry is ,1Q5M,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1Q13,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:501,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
3.4.16.5,,,,,,,,,
,Family. Representative Entry is ,4AZ3,,,,,,,
,,,CD:A:1260,invalid,,,,,[Cd+2],
,,,CD:A:1261,invalid,,,,,[Cd+2],
,,,CD:A:1262,invalid,,,,,[Cd+2],
,,,CD:B:1454,invalid,,,,,[Cd+2],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,S35:A:1259,valid,ic50,=,0.005,uM,Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OC[C@@H](C(C)(C)C)O,
,,4AZ0,,,,,,,
,,,CD:A:1263,invalid,,,,,[Cd+2],
,,,CD:A:1264,invalid,,,,,[Cd+2],
,,,CD:A:1265,invalid,,,,,[Cd+2],
,,,CD:A:1266,invalid,,,,,[Cd+2],
,,,CD:B:1456,invalid,,,,,[Cd+2],
,,,CD:B:1457,invalid,,,,,[Cd+2],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,S61:A:1262,valid,ic50,=,0.038,uM,Cc1ccccc1[C@H](CC(=O)O)NC(=O)C2=CC(=O)N(N2)c3ccccc3F,
,Family. Representative Entry is ,4CIB,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CD:A:1456,invalid,,,,,[Cd+2],
,,,CD:A:1459,invalid,,,,,[Cd+2],
,,,CD:A:1455,invalid,,,,,[Cd+2],
,,,CD:A:1458,invalid,,,,,[Cd+2],
,,,CD:A:1457,invalid,,,,,[Cd+2],
,,,7UZ:A:1454,valid,,,,,C1CCC(CC1)CC(C(=O)O)C(=O)O,
6.3.4.15,,,,,,,,,
,Family. Representative Entry is ,1WPY,,,,,,,
,,,BTN:A:1301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1302,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2EJF,,,,,,,
,,,ADN:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,BTN:A:1401,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1402,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:1400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2DXU,,,,,,,
,,,BT5:B:2301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,BT5:B:2302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,1WQW,,,,,,,
,,,BT5:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,BT5:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,1WNL,,,,,,,
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,1X01,,,,,,,
,,,ACY:B:2001,invalid,,,,,CC(=O)O,
,,,ACY:B:2002,invalid,,,,,CC(=O)O,
,,,ACY:B:2003,invalid,,,,,CC(=O)O,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:B:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2E41,,,,,,,
,,,BTX:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,BTX:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,2ZGW,,,,,,,
,,,ADN:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,BTN:A:1401,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1402,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,4DQ2,,,,,,,
,,,BTX:A:500,valid,Ki,=,0.03,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,6NDL,,,,,,,
,,,BQX:A:406,valid,Ki,=,0.065,uM,c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3EFS,,,,,,,
,,,ATP:A:1001,valid,Kd,=,7.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,Kd,=,7.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BTN:A:2001,valid,Kd,=,3.5,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:2001,valid,Kd,=,3.5,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4XTX,,,,,,,
,,,590:B:300,valid,Kd,=,0.027,nM,c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N,
,,,590:A:301,valid,Kd,=,0.027,nM,c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,4XU1,,,,,,,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,44O:B:301,valid,Kd,=,0.324,nM,c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N,
,,,44O:A:301,valid,Kd,=,0.324,nM,c1nc(c2c(n1)n(cn2)[C@H]3CNC[C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,4XTW,,,,,,,
,,,44M:A:301,valid,Kd,=,0.933,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N,
,,,44M:B:300,valid,Kd,=,0.933,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N=[N+]=[N-])N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,3RUX,,,,,,,
,,,BS5:A:1001,valid,Kd,=,0.53,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,BS5:B:1002,valid,Kd,=,0.53,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,4XTZ,,,,,,,
,,,594:B:301,valid,Kd,=,0.153,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N,
,,,594:A:301,valid,Kd,=,0.153,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N,
,,4XTV,,,,,,,
,,,44K:B:301,valid,Kd,=,0.54,nM,c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N,
,,,44K:A:301,valid,Kd,=,0.54,nM,c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](C3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)N,
,,4OP0,,,,,,,
,,,BT5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,BT5:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O)N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XU2,,,,,,,
,,,44Q:A:300,valid,Kd,=,0.592,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N,
,,,44Q:B:300,valid,Kd,=,0.592,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N,
,,4XU3,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,44R:B:300,valid,Kd,=,0.315,nM,c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N,
,,,44R:A:301,valid,Kd,=,0.315,nM,c1nc(c2c(n1)n(cn2)COCCNS(=O)(=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)N,
,,4XTY,,,,,,,
,,,44L:A:301,valid,Kd,=,0.614,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N,
,,,44L:B:301,valid,Kd,=,0.614,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)F)N,
,,4XU0,,,,,,,
,,,44N:A:301,valid,Kd,=,0.769,nM,C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O,
,,,44N:B:301,valid,Kd,=,0.769,nM,C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)COS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O,
,Family. Representative Entry is ,1HXD,,,,,,,
,,,BTN:A:500,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:501,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
5.3.1.14,,,,,,,,,
,Family. Representative Entry is ,2I56,,,,,,,
,,,RNS:A:2001,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2002,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:2003,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:2004,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,3ITT,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,RNS:A:2001,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2002,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:2003,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:2004,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,3M0Y,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,RNS:A:2001,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2002,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:2003,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:2004,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,3M0M,,,,,,,
,,,AOS:A:3001,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:B:3002,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:C:3003,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:D:3004,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,2I57,,,,,,,
,,,AOS:A:3001,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:B:3002,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:C:3003,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:D:3004,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:D:507,Part of Protein,,,,,[Zn+2],
,,,ZN:D:508,Part of Protein,,,,,[Zn+2],
,,3M0H,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,RNS:A:2001,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2002,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:2003,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:2004,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,3ITO,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,PSV:A:601,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,,,PSV:B:602,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,,,PSV:C:603,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,,,PSV:D:604,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)O,
,,3M0V,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,RNS:A:2001,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2002,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:2003,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:2004,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,3ITL,,,,,,,
,,,LRH:A:601,valid,,,,,C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O,
,,,LRH:B:602,valid,,,,,C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O,
,,,LRH:C:603,valid,,,,,C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O,
,,,LRH:D:604,valid,,,,,C[C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,3M0X,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,PSJ:A:601,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:B:602,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:C:603,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:D:604,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,3ITV,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,PSJ:A:601,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:B:602,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:C:603,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:D:604,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,3M0L,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:C:505,Part of Protein,,,,,[Mn+2],
,,,MN:C:506,Part of Protein,,,,,[Mn+2],
,,,MN:D:507,Part of Protein,,,,,[Mn+2],
,,,MN:D:508,Part of Protein,,,,,[Mn+2],
,,,PSJ:A:601,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:B:602,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:C:603,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,,,PSJ:D:604,valid,,,,,C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O,
,Family. Representative Entry is ,1DE6,,,,,,,
,,,MN:A:451,Part of Protein,,,,,[Mn+2],
,,,MN:B:451,Part of Protein,,,,,[Mn+2],
,,,MN:C:451,Part of Protein,,,,,[Mn+2],
,,,MN:D:451,Part of Protein,,,,,[Mn+2],
,,,RNS:A:1462,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:2462,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:3462,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:4462,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:450,Part of Protein,,,,,[Zn+2],
,,,ZN:C:450,Part of Protein,,,,,[Zn+2],
,,,ZN:D:450,Part of Protein,,,,,[Zn+2],
,,1DE5,,,,,,,
,,,RNT:A:1460,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O,
,,,RNT:B:2460,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O,
,,,RNT:C:3460,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O,
,,,RNT:D:4460,valid,,,,,C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O,
,,,ZN:A:450,Part of Protein,,,,,[Zn+2],
,,,ZN:B:450,Part of Protein,,,,,[Zn+2],
,,,ZN:C:450,Part of Protein,,,,,[Zn+2],
,,,ZN:D:450,Part of Protein,,,,,[Zn+2],
5.5.1.6,,,,,,,,,
,Family. Representative Entry is ,1EYQ,,,,,,,
,,,NAR:A:501,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:B:502,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FM7,,,,,,,
,,,DFV:A:501,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O,
,,,DFV:B:502,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JEP,,,,,,,
,,,DFL:A:501,valid,,,,,c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O,
,,,DFL:B:502,valid,,,,,c1ccc2c(c1)C(=O)C[C@H](O2)c3ccc(cc3)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FM8,,,,,,,
,,,DDC:A:501,valid,,,,,c1ccc(cc1)[C@@H]2CC(=O)c3ccc(cc3O2)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1JX1,,,,,,,
,,,DFV:C:701,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4D06,,,,,,,
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:F:401,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:E:404,invalid,,,,,[Cl-],
,,,CL:C:401,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:E:401,invalid,,,,,[Cl-],
,,,CL:F:403,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,X8W:D:303,valid,,,,,c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O,
,,,X8W:B:301,valid,,,,,c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O,
,,,NAR:D:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:D:302,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:F:302,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:F:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:A:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:C:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:E:301,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,GOL:F:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
1.1.1.-,,,,,,,,,
,Family. Representative Entry is ,1HKU,,,,,,,
,,,FMT:A:800,invalid,,,,,C(=O)O,
,,,FMT:A:801,invalid,,,,,C(=O)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:600,valid,ic50,~,65,nM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4U6Q,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,3CR:A:402,valid,Kd,=,0.37,uM,c1ccc(cc1)C/C(=NO)/C(=O)O,
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,4U6S,,,,,,,
,,,PPY:A:402,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6CDR,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,4LCE,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,KMT:A:402,valid,,,,,CSCCC(=O)C(=O)O,
,,1MX3,,,,,,,
,,,ACY:A:4000,invalid,,,,,CC(=O)O,
,,,NAD:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1S20,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:406,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:407,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:408,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TLA:A:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:504,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:506,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:G:507,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:H:508,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5O42,,,,,,,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,9JW:A:304,valid,Ki,=,1.5,nM,C=C(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5L7Y,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,6QO:A:303,invalid,,,,,c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F,
,,,6QO:A:304,valid,,,,,c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3)O)F,
,,5O6Z,,,,,,,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,9ME:A:304,valid,Ki,=,12,nM,c1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5O43,,,,,,,
,,,9JQ:A:304,valid,Ki,=,42,nM,CN(c1ccc(c(c1)O)F)c2cccc(n2)c3cccc(c3F)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6FFB,,,,,,,
,,,F45:A:304,valid,,,,,c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5EN4,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,5Q6:A:302,valid,Ki,=,64,nM,c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3cccc(c3O)O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,5O6X,,,,,,,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,9MK:A:304,valid,Ki,=,6,nM,Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6HNO,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5L7T,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,6QJ:A:303,valid,Ki,=,26,nM,Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F,
,,5O72,,,,,,,
,,,9MH:A:303,valid,Ki,=,23,nM,c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)NC(=O)CN,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5HS6,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,J3Z:A:302,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O,
,,5L7W,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,6QU:A:303,valid,Ki,=,11,nM,c1cc(c(c(c1)O)F)c2cccc(n2)C(=O)c3ccc(c(c3O)O)F,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,BGC:A:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5O6O,,,,,,,
,,,9MB:A:304,valid,Ki,=,58,nM,c1cc(c(c(c1)O)F)c2cccc(n2)Oc3ccc(c(c3)O)F,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5ICM,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GLC:A:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,F45:A:303,valid,,,,,c1cc(nc(c1)C(=O)c2ccc(c(c2)O)F)c3ccc(c(c3)O)O,
,,5O7C,,,,,,,
,,,9N2:A:304,valid,Ki,=,9,nM,c1cc(cc2c1ccc(n2)C(=O)c3ccc(c(c3)O)F)C#N,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5JS6,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,PGE:A:304,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,,5JSF,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1VHD,,,,,,,
,,,CAC:A:370,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:370,invalid,,,,,C[As](=O)(C)[O-],
,,,NAP:A:372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:372,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:371,Part of Protein,,,,,[Zn+2],
,,,ZN:B:371,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1DXY,,,,,,,
,,,COI:A:404,valid,,,,,CC(C)CC(=O)C(=O)O,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ZUA,,,,,,,
,,,NAP:X:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOL:X:1320,valid,ic50,=,10,nM,CN(CC(=O)O)C(=S)c1cccc2c1ccc(c2C(F)(F)F)OC,
,,4ICC,,,,,,,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,64I:X:402,valid,ic50,=,1,uM,c1(c(c(c(c(c1F)F)O)F)F)c2c(c(c(c(c2F)F)O)F)F,
,,4GAB,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,FID:A:402,valid,ic50,=,33,uM,c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=O)NC(=O)N3,
,,5M2F,,,,,,,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,UV8:X:402,valid,ic50,=,6.1,uM,CC(=Cc1ccc(cc1Br)C(=O)O)c2ccc3c(c2)C(CCC3(C)C)(C)C,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LIX,,,,,,,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,MK4:X:402,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2Br)Br)Br,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LIY,,,,,,,
,,,DQP:X:402,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2Br)Br)Br)Br)Br,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4JIH,,,,,,,
,,,EPR:A:401,valid,ic50,=,0.33,uM,C/C(=Cc1ccccc1)/C=C2C(=O)N(C(=S)S2)CC(=O)O,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XZN,,,,,,,
,,,EDO:X:402,invalid,,,,,C(CO)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LIU,,,,,,,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,388:X:402,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2ccc(cc2F)Br,
,,4GQG,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4I5X,,,,,,,
,,,FLF:A:401,valid,ic50,=,0.76,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XZM,,,,,,,
,,,EDO:X:402,invalid,,,,,C(CO)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LIW,,,,,,,
,,,1WX:X:403,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F,
,,,1WX:X:402,valid,,,,,c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(c(c(c(c2F)F)Br)F)F,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:X:404,invalid,,,,,C(CO)O,
,,4JII,,,,,,,
,,,ZST:X:402,valid,ic50,=,0.62,uM,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,,NA:X:403,Part of Protein,,,,,[Na+],
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4WEV,,,,,,,
,,,SUZ:X:402,valid,,,,,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)[S@](=O)C)F)CC(=O)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XZL,,,,,,,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,F49:X:402,valid,,,,,COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)O,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5LIK,,,,,,,
,,,EDO:X:403,invalid,,,,,C(CO)O,
,,,W8X:X:402,valid,,,,,c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br,
,,,NAP:X:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1ZH8,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NA:A:329,Part of Protein,,,,,[Na+],
,,,NA:B:329,Part of Protein,,,,,[Na+],
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1VLJ,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,FE:B:400,Part of Protein,,,,,[Fe+3],
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6HG6,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1M9H,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1A80,,,,,,,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.2.99.2,,,,,,,,,
,Family. Representative Entry is ,1N62,,,,,,,
,,,CUB:B:3921,Part of Protein,,,,,CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+],
,,,CUB:E:4921,Part of Protein,,,,,CCCCN([C@@]12O[Mo+4]1(=O)S2)[Cu+],
,,,FAD:C:3932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:3920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,PO4:A:4001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1N61,,,,,,,
,,,CUN:B:3921,Part of Protein,,,,,O[Mo+4](=O)S[Cu+],
,,,CUN:E:4921,Part of Protein,,,,,O[Mo+4](=O)S[Cu+],
,,,FAD:C:3932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:3920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1N5W,,,,,,,
,,,CUM:B:3921,Part of Protein,,,,,O[Mo+6](=O)S[Cu+],
,,,CUM:E:4921,Part of Protein,,,,,O[Mo+6](=O)S[Cu+],
,,,FAD:C:3932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:3920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ZXI,,,,,,,
,,,CU:B:3910,Part of Protein,,,,,[Cu+2],
,,,CU:E:3911,Part of Protein,,,,,[Cu+2],
,,,CUM:B:3920,Part of Protein,,,,,O[Mo+6](=O)S[Cu+],
,,,CUM:E:3922,Part of Protein,,,,,O[Mo+6](=O)S[Cu+],
,,,FAD:C:4932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:3921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:3923,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1N63,,,,,,,
,,,CUN:B:3921,Part of Protein,,,,,O[Mo+4](=O)S[Cu+],
,,,CUN:E:4921,Part of Protein,,,,,O[Mo+4](=O)S[Cu+],
,,,FAD:C:3932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:4931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:3920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,PO4:A:3001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1N60,,,,,,,
,,,FAD:C:4932,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:5931,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:4907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:4908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:5907,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:5908,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MCN:B:4920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,MCN:E:5920,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,OMO:B:4921,Part of Protein,,,,,O[Mo+6](=O)O,
,,,OMO:E:5921,Part of Protein,,,,,O[Mo+6](=O)O,
,,,PO4:A:4001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5002,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YIV,,,,,,,
,,,FE:X:5004,Part of Protein,,,,,[Fe+3],
,,,FES:X:5001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NBN:X:5005,valid,,,,,CCCC[N+]#[C-],
,,,SF4:X:5000,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,WCC:X:5002,invalid,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Ni]45,
,,,YIV:X:5003,valid,,,,,CCCCNC=O,
3.2.1.141,,,,,,,,,
,Family. Representative Entry is ,3VGF,,,,,,,
,,,FLC:A:1001,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
1.2.3.4,,,,,,,,,
,Family. Representative Entry is ,2ET1,,,,,,,
,,,GLV:A:203,valid,,,,,C(=O)C(=O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,2ETE,,,,,,,
,,,GLV:A:404,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:406,valid,,,,,C(=O)C(=O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
2.5.1.60,,,,,,,,,
,Family. Representative Entry is ,3DST,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,GRG:B:334,valid,Kd,=,0.83,nM,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3PZ2,,,,,,,
,,,3PZ:B:333,valid,ic50,=,724,nM,Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5,
,,,CA:B:332,Part of Protein,,,,,[Ca+2],
,,,GRG:B:334,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,4GTS,,,,,,,
,,,7TP:B:403,valid,ic50,=,12.8,nM,Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)O,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3PZ3,,,,,,,
,,,CA:B:332,Part of Protein,,,,,[Ca+2],
,,,PZ3:B:333,valid,ic50,=,141,nM,Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)c4ccc(o4)C=O)S(=O)(=O)c5ccc(cc5)OC)Cc6ccc(cc6)OC(=O)NCc7ccccc7,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,4GTT,,,,,,,
,,,7TQ:B:403,valid,ic50,=,6,nM,Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OC(=O)NCc6ccccc6,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3DSU,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,FPP:B:334,valid,Kd,=,94,nM,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3HXC,,,,,,,
,,,BD6:B:334,valid,,,,,CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)NO)C(=O)[C@H](Cc4cnc[nH]4)NC(=O)OCc5ccccc5,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3C72,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,CX1:B:334,valid,ic50,=,22.7,uM,CN([C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)[C@H](Cc3c[nH]cn3)NC(=O)OCc4ccccc4,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3DSV,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,GER:B:334,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3HXE,,,,,,,
,,,BD8:B:334,valid,,,,,CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3PZ1,,,,,,,
,,,3PZ:B:1,valid,ic50,=,724,nM,Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,DMS:B:334,invalid,,,,,CS(=O)C,
,,,DMS:B:335,invalid,,,,,CS(=O)C,
,,,DMS:B:336,invalid,,,,,CS(=O)C,
,,,DMS:B:337,invalid,,,,,CS(=O)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3DSW,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,GER:B:334,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,4GTV,,,,,,,
,,,7TR:B:403,valid,ic50,=,38,nM,CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3HXB,,,,,,,
,,,BD5:B:332,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)NC(=O)OCc4ccccc4,
,,,ZN:B:333,Part of Protein,,,,,[Zn+2],
,,3DSX,,,,,,,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,GER:B:334,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
,,3HXF,,,,,,,
,,,BD9:B:334,valid,,,,,CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N(C)CCc4ccccn4,
,,,CA:B:333,Part of Protein,,,,,[Ca+2],
,,,ZN:B:332,Part of Protein,,,,,[Zn+2],
2.7.11.16,,,,,,,,,
,Family. Representative Entry is ,6PJX,,,,,,,
,,,SGV:A:601,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4WNK,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,453:A:701,valid,ic50,=,0.38,uM,CC1=C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3ccccn3)F)C(=O)Nc4ccc5c(c4)cn[nH]5,
,,4TNB,,,,,,,
,,,SGV:A:601,valid,,,,,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,4TND,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
1.1.5.9,,,,,,,,,
,Family. Representative Entry is ,4YNU,,,,,,,
,,,LGC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4YNT,,,,,,,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.8.2.23,,,,,,,,,
,Family. Representative Entry is ,1ZRH,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3BD9,,,,,,,
,,,A3P:A:347,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,1VKJ,,,,,,,
,,,A3P:A:602,valid,Kd,=,14,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:603,valid,Kd,=,14,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:604,valid,Kd,=,14,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UAN,,,,,,,
,,,A3P:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,BDP SGN IDS SGN BDP NGY:C:1,valid,,,,,,
,,,SGN IDS SGN BDP NGY BDP:D:1,valid,,,,,,
6.3.4.2,,,,,,,,,
,Family. Representative Entry is ,4ZDJ,,,,,,,
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,UTP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1VCO,,,,,,,
,,,GLN:A:610,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
1.17.4.1,,,,,,,,,
,Family. Representative Entry is ,3O0Q,,,,,,,
,,,ADN:A:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,GDP:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1XJG,,,,,,,
,,,DTP:A:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:B:1005,invalid,,,,,[Mg+2],
,,,UDP:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1002,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1XJJ,,,,,,,
,,,DGT:A:1001,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:1003,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:1004,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:1002,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:B:1005,invalid,,,,,[Mg+2],
,,1XJN,,,,,,,
,,,CDP:A:1002,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:1004,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:1003,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:B:1009,invalid,,,,,[Cl-],
,,,DTP:A:1005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:1008,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,1XJM,,,,,,,
,,,MG:A:1005,invalid,,,,,[Mg+2],
,,,MG:B:1006,invalid,,,,,[Mg+2],
,,,TTP:B:1002,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:A:1004,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1003,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1XJF,,,,,,,
,,,DTP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:1004,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,1XJE,,,,,,,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,TTP:A:1005,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1004,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:B:1007,invalid,,,,,[Mg+2],
,,3O0N,,,,,,,
,,,5AD:B:1004,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:B:1003,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CO:A:1003,invalid,,,,,[Co+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,3O0O,,,,,,,
,,,5AD:A:1005,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:1005,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:1004,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:1004,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GDP:A:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1XJK,,,,,,,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DGT:A:1003,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:1004,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:1005,invalid,,,,,[Mg+2],
,,,MG:B:1006,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3RSR,,,,,,,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,,N5P:A:841,valid,Kd,=,44,uM,c1cc2c(ccn2C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)cc1[N+](=O)[O-],
,,3K8T,,,,,,,
,,,2A5:A:891,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)CCO)N,
,,,DGT:A:890,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,GOL:A:892,invalid,,,,,C(C(CO)O)O,
,,,MG:A:889,invalid,,,,,[Mg+2],
,,2CVY,,,,,,,
,,,GLY ALA PHE THR PHE ASN GLU ASP PHE:B:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)C(O)C)Cc1ccccc1)CC(=O)N)CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,2CVW,,,,,,,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,,TTP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,2CVX,,,,,,,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DGT:A:1001,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,2EUD,,,,,,,
,,,ANP:A:890,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GCQ:A:891,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O)(F)F,
,,,MG:A:889,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2WGH,,,,,,,
,,,DTP:B:1745,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1745,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GOL:A:1743,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1746,invalid,,,,,[Mg+2],
,,,MG:A:1744,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6MT9,,,,,,,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TTP:A:801,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:804,invalid,,,,,[Mg+2],
,,,ATP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6CGN,,,,,,,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DA:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,Family. Representative Entry is ,6QK2,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6F6E,,,,,,,
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,PLM:B:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,4HR0,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,PLM:A:405,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,MN3:A:401,Part of Protein,,,,,[Mn+3],
,,6QK0,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:A:404,Part of Protein,,,,,[Fe+2],
,,,FE2:B:404,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,PLM:B:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6QK1,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,5DCR,,,,,,,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:401,Part of Protein,,,,,[Mn+3],
,,6I90,,,,,,,
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,4XB9,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6I93,,,,,,,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,OCA:A:403,valid,,,,,CCCCCCCC(=O)O,
,,5DCS,,,,,,,
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:401,Part of Protein,,,,,[Mn+3],
,,6F6C,,,,,,,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,PLM:B:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,,MN3:B:401,Part of Protein,,,,,[Mn+3],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,4HR5,,,,,,,
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,4XBW,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6F6H,,,,,,,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,PLM:B:404,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,,MN3:B:401,Part of Protein,,,,,[Mn+3],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,6QJV,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,6I94,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,OCA:A:404,valid,,,,,CCCCCCCC(=O)O,
,,5EKB,,,,,,,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN3:A:401,Part of Protein,,,,,[Mn+3],
,,6F6F,,,,,,,
,,,FE:A:404,Part of Protein,,,,,[Fe+3],
,,,PLM:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN3:A:402,Part of Protein,,,,,[Mn+3],
,,5OMK,,,,,,,
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,5DCO,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6F6G,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,PLM:B:404,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:403,Part of Protein,,,,,[Fe+2],
,,6F6K,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,DAO:A:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:404,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:B:403,Part of Protein,,,,,[Fe+2],
,,4XBV,,,,,,,
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:403,Part of Protein,,,,,[Fe+2],
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,PLM:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,5OMJ,,,,,,,
,,,PLM:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,6I95,,,,,,,
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,OCA:A:404,valid,,,,,CCCCCCCC(=O)O,
,Family. Representative Entry is ,4BMO,,,,,,,
,,,FE2:A:1324,Part of Protein,,,,,[Fe+2],
,,,FE2:A:1323,Part of Protein,,,,,[Fe+2],
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,CL:A:1297,invalid,,,,,[Cl-],
,,,CL:A:1294,invalid,,,,,[Cl-],
,,,CL:A:1293,invalid,,,,,[Cl-],
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,FMN:B:1120,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4BMP,,,,,,,
,,,FE2:A:1324,Part of Protein,,,,,[Fe+2],
,,,FE2:A:1323,Part of Protein,,,,,[Fe+2],
,,,FMN:B:1120,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:1325,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3N39,,,,,,,
,,,FMN:C:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MN:A:320,Part of Protein,,,,,[Mn+2],
,,,MN:A:321,Part of Protein,,,,,[Mn+2],
,,,MN:B:320,Part of Protein,,,,,[Mn+2],
,,,MN:B:321,Part of Protein,,,,,[Mn+2],
,,3N3A,,,,,,,
,,,FMN:C:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MN:A:320,Part of Protein,,,,,[Mn+2],
,,,MN:A:321,Part of Protein,,,,,[Mn+2],
,,,MN:B:320,Part of Protein,,,,,[Mn+2],
,,,MN:B:321,Part of Protein,,,,,[Mn+2],
,,3N3B,,,,,,,
,,,FMN:C:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:134,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MN:A:320,Part of Protein,,,,,[Mn+2],
,,,MN:A:321,Part of Protein,,,,,[Mn+2],
,,,MN:B:320,Part of Protein,,,,,[Mn+2],
,,,MN:B:321,Part of Protein,,,,,[Mn+2],
,,,PEO:A:322,invalid,,,,,OO,
,,,PEO:B:322,invalid,,,,,OO,
,Family. Representative Entry is ,3EE4,,,,,,,
,,,FE:A:317,Part of Protein,,,,,[Fe+3],
,,,MN3:A:316,Part of Protein,,,,,[Mn+3],
,,,MYR:A:315,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5OLK,,,,,,,
,,,DTP:B:1002,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1001,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1001,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1002,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:1001,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:C:1002,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:1001,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:1002,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:C:1003,invalid,,,,,[Mg+2],
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MN:D:1004,Part of Protein,,,,,[Mn+2],
,,,MN:C:1004,Part of Protein,,,,,[Mn+2],
,,,MN:A:1004,Part of Protein,,,,,[Mn+2],
,,,MN:D:1005,Part of Protein,,,,,[Mn+2],
,,,MN:B:1004,Part of Protein,,,,,[Mn+2],
,,,MN:A:1005,Part of Protein,,,,,[Mn+2],
,,,MN:C:1005,Part of Protein,,,,,[Mn+2],
,,,MN:B:1005,Part of Protein,,,,,[Mn+2],
,,,TRS:A:1006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3HNC,,,,,,,
,,,MG:B:801,invalid,,,,,[Mg+2],
,,,MG:A:801,invalid,,,,,[Mg+2],
,,,TTP:A:802,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:802,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5IM3,,,,,,,
,,,MG:B:1003,invalid,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,DTP:A:1005,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1001,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1004,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1002,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:B:1002,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:1001,valid,Kd,~,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
1.2.1.46,,,,,,,,,
,Family. Representative Entry is ,1KOL,,,,,,,
,,,NAD:A:1403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
2.5.1.19,,,,,,,,,
,Family. Representative Entry is ,2PQB,,,,,,,
,,,GG9:A:501,valid,Ki,=,63,nM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O,
,,2GGA,,,,,,,
,,,GPJ:A:701,valid,Ki,=,6,mM,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:601,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2GGD,,,,,,,
,,,GPJ:A:601,valid,ic50,=,160,uM,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:501,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2GG6,,,,,,,
,,,S3P:A:601,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PQC,,,,,,,
,,,RC1:A:601,valid,Ki,=,1800,nM,C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O,
,,2PQD,,,,,,,
,,,GG9:A:501,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2PQ9,,,,,,,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:A:510,invalid,,,,,C(=O)O,
,,,FMT:A:511,invalid,,,,,C(=O)O,
,,,FMT:A:512,invalid,,,,,C(=O)O,
,,,FMT:A:513,invalid,,,,,C(=O)O,
,,,FMT:A:514,invalid,,,,,C(=O)O,
,,,FMT:A:515,invalid,,,,,C(=O)O,
,,,GG9:A:501,valid,Ki,=,7.8,nM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O,
,,3FJX,,,,,,,
,,,FMT:A:429,invalid,,,,,C(=O)O,
,,,FMT:A:430,invalid,,,,,C(=O)O,
,,,FMT:A:431,invalid,,,,,C(=O)O,
,,,FMT:A:432,invalid,,,,,C(=O)O,
,,,FMT:A:433,invalid,,,,,C(=O)O,
,,,FMT:A:434,invalid,,,,,C(=O)O,
,,,FMT:A:435,invalid,,,,,C(=O)O,
,,,FMT:A:436,invalid,,,,,C(=O)O,
,,,S3P:A:428,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1MI4,,,,,,,
,,,FMT:A:2001,invalid,,,,,C(=O)O,
,,,FMT:A:2002,invalid,,,,,C(=O)O,
,,,FMT:A:2003,invalid,,,,,C(=O)O,
,,,FMT:A:2004,invalid,,,,,C(=O)O,
,,,FMT:A:2005,invalid,,,,,C(=O)O,
,,,FMT:A:2006,invalid,,,,,C(=O)O,
,,,FMT:A:2007,invalid,,,,,C(=O)O,
,,,FMT:A:2008,invalid,,,,,C(=O)O,
,,,FMT:A:2009,invalid,,,,,C(=O)O,
,,,FMT:A:2010,invalid,,,,,C(=O)O,
,,,FMT:A:2011,invalid,,,,,C(=O)O,
,,,FMT:A:2012,invalid,,,,,C(=O)O,
,,,FMT:A:2013,invalid,,,,,C(=O)O,
,,,FMT:A:2014,invalid,,,,,C(=O)O,
,,,S3P:A:1001,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1X8T,,,,,,,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,RC1:A:501,valid,Ki,=,16,nM,C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O,
,,3FJZ,,,,,,,
,,,FMT:A:431,invalid,,,,,C(=O)O,
,,,FMT:A:432,invalid,,,,,C(=O)O,
,,,FMT:A:433,invalid,,,,,C(=O)O,
,,,FMT:A:434,invalid,,,,,C(=O)O,
,,,FMT:A:435,invalid,,,,,C(=O)O,
,,,FMT:A:436,invalid,,,,,C(=O)O,
,,,FMT:A:437,invalid,,,,,C(=O)O,
,,,FMT:A:438,invalid,,,,,C(=O)O,
,,,GPF:A:429,valid,Ki,=,90,uM,C(C(=O)O)NCP(=O)(O)O,
,,,S3P:A:430,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2AAY,,,,,,,
,,,FMT:A:901,invalid,,,,,C(=O)O,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,FMT:A:903,invalid,,,,,C(=O)O,
,,,FMT:A:904,invalid,,,,,C(=O)O,
,,,FMT:A:905,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,FMT:A:908,invalid,,,,,C(=O)O,
,,,FMT:A:909,invalid,,,,,C(=O)O,
,,,GPJ:A:702,valid,ic50,=,1.7,mM,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,SKM:A:701,valid,ic50,=,1.2,mM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,2AA9,,,,,,,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,FMT:A:610,invalid,,,,,C(=O)O,
,,,FMT:A:611,invalid,,,,,C(=O)O,
,,,FMT:A:612,invalid,,,,,C(=O)O,
,,,FMT:A:613,invalid,,,,,C(=O)O,
,,,FMT:A:614,invalid,,,,,C(=O)O,
,,,FMT:A:615,invalid,,,,,C(=O)O,
,,,FMT:A:616,invalid,,,,,C(=O)O,
,,,FMT:A:617,invalid,,,,,C(=O)O,
,,,SKM:A:501,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,1G6S,,,,,,,
,,,FMT:A:801,invalid,,,,,C(=O)O,
,,,FMT:A:802,invalid,,,,,C(=O)O,
,,,FMT:A:803,invalid,,,,,C(=O)O,
,,,FMT:A:804,invalid,,,,,C(=O)O,
,,,FMT:A:805,invalid,,,,,C(=O)O,
,,,FMT:A:806,invalid,,,,,C(=O)O,
,,,FMT:A:807,invalid,,,,,C(=O)O,
,,,FMT:A:808,invalid,,,,,C(=O)O,
,,,FMT:A:809,invalid,,,,,C(=O)O,
,,,FMT:A:810,invalid,,,,,C(=O)O,
,,,GPJ:A:701,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:601,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,3FK1,,,,,,,
,,,FMT:A:430,invalid,,,,,C(=O)O,
,,,FMT:A:431,invalid,,,,,C(=O)O,
,,,FMT:A:432,invalid,,,,,C(=O)O,
,,,FMT:A:433,invalid,,,,,C(=O)O,
,,,FMT:A:434,invalid,,,,,C(=O)O,
,,,FMT:A:435,invalid,,,,,C(=O)O,
,,,FMT:A:436,invalid,,,,,C(=O)O,
,,,GPF:A:429,valid,Ki,=,2420,uM,C(C(=O)O)NCP(=O)(O)O,
,,,S3P:A:428,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1X8R,,,,,,,
,,,FMT:A:701,invalid,,,,,C(=O)O,
,,,FMT:A:702,invalid,,,,,C(=O)O,
,,,FMT:A:703,invalid,,,,,C(=O)O,
,,,FMT:A:704,invalid,,,,,C(=O)O,
,,,FMT:A:705,invalid,,,,,C(=O)O,
,,,FMT:A:706,invalid,,,,,C(=O)O,
,,,FMT:A:707,invalid,,,,,C(=O)O,
,,,FMT:A:708,invalid,,,,,C(=O)O,
,,,FMT:A:709,invalid,,,,,C(=O)O,
,,,FMT:A:710,invalid,,,,,C(=O)O,
,,,FMT:A:711,invalid,,,,,C(=O)O,
,,,FMT:A:712,invalid,,,,,C(=O)O,
,,,SC1:A:601,valid,Ki,=,2.9,uM,C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O,
,,2QFT,,,,,,,
,,,FMT:A:901,invalid,,,,,C(=O)O,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,FMT:A:903,invalid,,,,,C(=O)O,
,,,FMT:A:904,invalid,,,,,C(=O)O,
,,,FMT:A:905,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,FMT:A:908,invalid,,,,,C(=O)O,
,,,FMT:A:909,invalid,,,,,C(=O)O,
,,,GPJ:A:801,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:701,valid,Ki,=,5.5,uM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1G6T,,,,,,,
,,,FMT:A:701,invalid,,,,,C(=O)O,
,,,FMT:A:702,invalid,,,,,C(=O)O,
,,,FMT:A:703,invalid,,,,,C(=O)O,
,,,FMT:A:704,invalid,,,,,C(=O)O,
,,,FMT:A:705,invalid,,,,,C(=O)O,
,,,FMT:A:706,invalid,,,,,C(=O)O,
,,,FMT:A:707,invalid,,,,,C(=O)O,
,,,FMT:A:708,invalid,,,,,C(=O)O,
,,,FMT:A:709,invalid,,,,,C(=O)O,
,,,FMT:A:710,invalid,,,,,C(=O)O,
,,,FMT:A:711,invalid,,,,,C(=O)O,
,,,FMT:A:712,invalid,,,,,C(=O)O,
,,,FMT:A:713,invalid,,,,,C(=O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,S3P:A:601,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2QFQ,,,,,,,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,FMT:A:610,invalid,,,,,C(=O)O,
,,,S3P:A:701,valid,ic50,=,66,uM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2QFS,,,,,,,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,FMT:A:610,invalid,,,,,C(=O)O,
,,,FMT:A:611,invalid,,,,,C(=O)O,
,,,FMT:A:612,invalid,,,,,C(=O)O,
,,,S3P:A:701,valid,Ki,=,5.5,uM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,3FK0,,,,,,,
,,,FMT:A:429,invalid,,,,,C(=O)O,
,,,FMT:A:430,invalid,,,,,C(=O)O,
,,,FMT:A:431,invalid,,,,,C(=O)O,
,,,FMT:A:432,invalid,,,,,C(=O)O,
,,,FMT:A:433,invalid,,,,,C(=O)O,
,,,FMT:A:434,invalid,,,,,C(=O)O,
,,,FMT:A:435,invalid,,,,,C(=O)O,
,,,FMT:A:436,invalid,,,,,C(=O)O,
,,,FMT:A:437,invalid,,,,,C(=O)O,
,,,S3P:A:428,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,2QFU,,,,,,,
,,,FMT:A:901,invalid,,,,,C(=O)O,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,FMT:A:903,invalid,,,,,C(=O)O,
,,,FMT:A:904,invalid,,,,,C(=O)O,
,,,FMT:A:905,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,GPJ:A:801,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:701,valid,Ki,=,66,uM,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1Q36,,,,,,,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,SKP:A:600,valid,,,,,C[C@](C(=O)O)(O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)(O)O)C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1RF6,,,,,,,
,,,GPJ:A:1428,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,GPJ:B:1528,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,GPJ:C:1628,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,GPJ:D:1728,valid,,,,,C(C(=O)O)[NH2+]CP(=O)(O)O,
,,,S3P:A:1429,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,,S3P:B:1529,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,,S3P:C:1629,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,,S3P:D:1729,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O,
,,1RF4,,,,,,,
,,,SPQ:A:1451,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O,
,,,SPQ:B:1551,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O,
,,,SPQ:C:1651,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O,
,,,SPQ:D:1751,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O[C@](CF)(C(=O)O)OP(=O)(O)O,
2.7.1.107,,,,,,,,,
,Family. Representative Entry is ,2QV7,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
3.11.1.1,,,,,,,,,
,Family. Representative Entry is ,1RQL,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,VSO:B:600,valid,Ki,=,1.79,mM,C=CS(=O)(=O)O,
,,1SWW,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,POA:A:600,valid,,,,,C(C=O)P(=O)(O)O,
,,,POA:B:700,valid,,,,,C(C=O)P(=O)(O)O,
1.1.1.275,,,,,,,,,
,Family. Representative Entry is ,5EJ2,,,,,,,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.24.46,,,,,,,,,
,Family. Representative Entry is ,4AIG,,,,,,,
,,,CA:A:250,Part of Protein,,,,,[Ca+2],
,,,FLX:A:400,valid,ic50,=,0.3,uM,CC(C)C[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)P(=O)(O)O)NC(=O)c3ccco3,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
3.6.1.15,,,,,,,,,
,Family. Representative Entry is ,6TBO,,,,,,,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,N0E:B:201,valid,,,,,c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O,
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T2X,,,,,,,
,,,JFJ:B:201,valid,,,,,CNCc1cccc(c1)Cl,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T8R,,,,,,,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GVY:B:201,valid,,,,,c1cc(ccc1c2nnc(s2)N)O,
,,,GVY:A:201,valid,,,,,c1cc(ccc1c2nnc(s2)N)O,
,Family. Representative Entry is ,6T49,,,,,,,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,MH5:A:201,valid,Ki,=,0.37,mM,Cc1ccc(s1)CNc2cccc(c2)C(=O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4A59,,,,,,,
,,,AMP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4KH6,,,,,,,
,,,MG:B:701,invalid,,,,,[Mg+2],
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,AU1:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,,,AU1:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6T4S,,,,,,,
,,,K2P:A:201,valid,,,,,c1ccc(c(c1)C(=O)O)OC(F)(F)F,
,Family. Representative Entry is ,6TC1,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,MZW:B:201,valid,,,,,CCc1nnc(s1)N,
,Family. Representative Entry is ,6TCF,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,N1E:B:201,valid,,,,,COC(=O)c1ccc2c(c1)cccn2,
,Family. Representative Entry is ,6TAW,,,,,,,
,,,N08:A:201,valid,,,,,c1cc(oc1)C(=O)NCCc2ccc(cc2)F,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T3G,,,,,,,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,,JOV:A:201,valid,,,,,CC(C)(CO)NC(=O)c1cccc(c1)Cl,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T82,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,MUK:B:201,valid,,,,,Cc1cc(nc(n1)Nc2ccccc2)C,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6TGL,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,LVP:B:201,valid,,,,,c1ccc(c(c1)NNC(=O)c2ccno2)F,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T5D,,,,,,,
,,,MJW:B:201,valid,,,,,c1ccc(cc1)COc2ccccc2N,
,Family. Representative Entry is ,6T5R,,,,,,,
,,,MKN:B:201,valid,,,,,c1cc(sc1)c2ccc(s2)c3cc[nH]n3,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6T71,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,MQB:B:201,valid,,,,,c1ccc2c(c1)c(co2)CC(=O)O,
,,,MQB:A:201,valid,,,,,c1ccc2c(c1)c(co2)CC(=O)O,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6TAL,,,,,,,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:208,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:209,invalid,,,,,CS(=O)C,
,,,DMS:B:207,invalid,,,,,CS(=O)C,
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:B:206,invalid,,,,,CS(=O)C,
,,,DMS:B:205,invalid,,,,,CS(=O)C,
,,,DMS:B:208,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,MZW:B:201,valid,,,,,CCc1nnc(s1)N,
,,,TFA:A:201,invalid,,,,,C(=O)(C(F)(F)F)O,
,Family. Representative Entry is ,6T4E,,,,,,,
,,,HWH:A:201,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)F,
,,,HWH:B:201,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)F,
,Family. Representative Entry is ,6TBP,,,,,,,
,,,N0H:A:201,valid,,,,,c1ccc(cc1)OCC(=O)Nc2ccccc2O,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6T2I,,,,,,,
,,,JFM:A:201,valid,,,,,CS(=O)(=O)NCCc1ccccc1,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6T8T,,,,,,,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,YI6:B:201,valid,,,,,CCOc1ccc(cc1)CC(=O)O,
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6T6W,,,,,,,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JL7:A:201,valid,Ki,=,0.34,mM,c1cc(ccc1c2nc(cs2)C(=O)O)C(F)(F)F,
4.1.2.27,,,,,,,,,
,Family. Representative Entry is ,4Q6R,,,,,,,
,,,30J:A:903,valid,ic50,=,0.21,uM,C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl,
,,,30J:B:602,valid,ic50,=,0.21,uM,C[C@@H]1CN(CCN1c2ccc(cn2)C#N)c3c4cc(ccc4c(nn3)Cc5ccccc5)Cl,
,,,SIN:A:901,valid,,,,,C(CC(=O)O)C(=O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
2.6.1.21,,,,,,,,,
,Family. Representative Entry is ,3DAA,,,,,,,
,,,PDD:A:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,,PDD:B:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,3LQS,,,,,,,
,,,ACY:B:424,invalid,,,,,CC(=O)O,
,,,PSZ:A:595,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,PSZ:B:585,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,1DAA,,,,,,,
,,,PLP:A:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1A0G,,,,,,,
,,,PMP:A:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,2DAA,,,,,,,
,,,DCS:A:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,,,DCS:B:285,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
2.7.1.59,,,,,,,,,
,Family. Representative Entry is ,2CH5,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:D:500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
1.14.13.1,,,,,,,,,
,Family. Representative Entry is ,5EVY,,,,,,,
,,,SAL:X:502,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,FAD:X:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4BJZ,,,,,,,
,,,P3A:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4BK3,,,,,,,
,,,P3A:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4BJY,,,,,,,
,,,P3A:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4BK1,,,,,,,
,,,CL:A:1401,invalid,,,,,[Cl-],
,,,P3A:A:1399,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,FAD:A:1398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,3HB:A:1400,valid,,,,,c1cc(cc(c1)O)C(=O)O,
,,5HYM,,,,,,,
,,,T7X:A:502,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCC/C=CC/C=CC/C=C/C/C=C/CCCCC,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,4BK2,,,,,,,
,,,P3A:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.6.1.29,,,,,,,,,
,Family. Representative Entry is ,4LQY,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AMP:A:505,valid,ic50,=,129,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5FIT,,,,,,,
,,,AP2:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,3FIT,,,,,,,
,,,A:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FRU:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
1.6.8.-,,,,,,,,,
,Family. Representative Entry is ,2D37,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2D38,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2D36,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2ED4,,,,,,,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.8.2.20,,,,,,,,,
,Family. Representative Entry is ,5WRI,,,,,,,
,,,A3P:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ASP PHE GLU ASP TYR GLU PHE ASP:D:1002,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC)Cc1ccccc1)CCC(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,,,ASP PHE GLU ASP TYR GLU PHE ASP:E:1002,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC)Cc1ccccc1)CCC(=O)[O-])Cc1ccc(O)cc1)CC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)C([NH3+])CC(=O)[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5WRJ,,,,,,,
,,,A3P:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
3.2.1.11,,,,,,,,,
,Family. Representative Entry is ,1OGO,,,,,,,
,,,BGC GLC:A:1,valid,,,,,,
,Family. Representative Entry is ,5AXH,,,,,,,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,PO4:B:708,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,BGC GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OCC3C(O)C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
3.2.1.35,,,,,,,,,
,Family. Representative Entry is ,2WDB,,,,,,,
,,,CA:A:1948,Part of Protein,,,,,[Ca+2],
,,,CA:B:1952,Part of Protein,,,,,[Ca+2],
,,,CA:C:1950,Part of Protein,,,,,[Ca+2],
,,,CA:D:1950,Part of Protein,,,,,[Ca+2],
,,,MAN NAG:H:1,valid,Ka,=,7860,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:E:1,valid,Ka,=,7860,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:G:1,valid,Ka,=,7860,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:F:1,valid,Ka,=,7860,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,2W1U,,,,,,,
,,,ACT:B:1953,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1951,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1951,invalid,,,,,CC(=O)[O-],
,,,CA:A:1948,Part of Protein,,,,,[Ca+2],
,,,CA:B:1952,Part of Protein,,,,,[Ca+2],
,,,CA:C:1950,Part of Protein,,,,,[Ca+2],
,,,CA:D:1950,Part of Protein,,,,,[Ca+2],
,,,NGA NAG:F:1,valid,Ka,=,5910,M^-1,,
,,,NGA NAG:E:1,valid,Ka,=,5910,M^-1,,
,,,NGA NAG:H:1,valid,Ka,=,5910,M^-1,,
,,,A2G NAG:G:1,invalid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OC(O)C1NC(=O)C)C,
2.7.7.23,,,,,,,,,
,Family. Representative Entry is ,1FWY,,,,,,,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,SO4:A:951,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:952,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:953,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:954,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:502,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1HV9,,,,,,,
,,,CO:A:9030,Part of Protein,,,,,[Co+2],
,,,CO:A:9031,Part of Protein,,,,,[Co+2],
,,,CO:B:9027,Part of Protein,,,,,[Co+2],
,,,CO:B:9028,Part of Protein,,,,,[Co+2],
,,,CO:B:9029,Part of Protein,,,,,[Co+2],
,,,COA:A:2001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,UD1:A:3001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:3002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2OI6,,,,,,,
,,,CO:A:6003,Part of Protein,,,,,[Co+2],
,,,CO:B:6002,Part of Protein,,,,,[Co+2],
,,,COA:A:2000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GP1:A:5000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O,
,,,GP1:B:5001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O,
,,,MG:A:6004,Part of Protein,,,,,[Mg+2],
,,,MG:B:6000,Part of Protein,,,,,[Mg+2],
,,,MG:B:6001,Part of Protein,,,,,[Mg+2],
,,,SO4:B:7000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:4000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:4001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2OI5,,,,,,,
,,,ACO:A:2000,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:5003,Part of Protein,,,,,[Mg+2],
,,,MG:A:5004,Part of Protein,,,,,[Mg+2],
,,,MG:B:5000,Part of Protein,,,,,[Mg+2],
,,,MG:B:5001,Part of Protein,,,,,[Mg+2],
,,,MG:B:5002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:6000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:4000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:4001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1JV1,,,,,,,
,,,UD1:A:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1JVD,,,,,,,
,,,UD1:A:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1JVG,,,,,,,
,,,UD2:A:1901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:B:1902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1JV3,,,,,,,
,,,UD2:A:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:B:902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,2YQS,,,,,,,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2YQH,,,,,,,
,,,GN1:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,,GN1:B:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YQJ,,,,,,,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,4AAW,,,,,,,
,,,R84:A:1460,valid,ic50,=,0.5,uM,COc1cc(c(cc1NC(=O)CCC(=O)O)S(=O)(=O)NCc2ccccc2N3CCC(CC3)COC(=O)CCC(=O)O)OC,
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HM9,,,,,,,
,,,ACO:A:1900,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2900,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:1901,Part of Protein,,,,,[Ca+2],
,,,CA:A:1902,Part of Protein,,,,,[Ca+2],
,,,CA:A:1903,Part of Protein,,,,,[Ca+2],
,,,CA:A:1904,Part of Protein,,,,,[Ca+2],
,,,CA:B:2901,Part of Protein,,,,,[Ca+2],
,,,CA:B:2902,Part of Protein,,,,,[Ca+2],
,,,CA:B:2903,Part of Protein,,,,,[Ca+2],
,,,CA:B:2904,Part of Protein,,,,,[Ca+2],
,,,UD1:A:1500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:2500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1HM8,,,,,,,
,,,ACO:A:1900,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:2900,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:1901,Part of Protein,,,,,[Ca+2],
,,,CA:A:1902,Part of Protein,,,,,[Ca+2],
,,,CA:B:2901,Part of Protein,,,,,[Ca+2],
,,,CA:B:2902,Part of Protein,,,,,[Ca+2],
,,1G97,,,,,,,
,,,MG:A:460,Part of Protein,,,,,[Mg+2],
,,,NA:A:461,Part of Protein,,,,,[Na+],
,,,UD1:A:500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,4AC3,,,,,,,
,,,R83:A:1460,valid,ic50,=,110,uM,CC(=O)Nc1cc(c(cc1OC)OC)S(=O)(=O)NCc2ccccc2N3CCCCC3,
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6GE9,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,G1P:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ACO:A:503,valid,Kd,=,250,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3DJ4,,,,,,,
,,,CO:A:497,invalid,,,,,[Co+2],
,,,MG:A:496,Part of Protein,,,,,[Mg+2],
,,,UD1:A:4000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,4G87,,,,,,,
,,,CO:A:503,Part of Protein,,,,,[Co+2],
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,UD1:A:505,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG  POP:A:504,invalid,,,,,,
,Family. Representative Entry is ,4BQH,,,,,,,
,,,SO4:A:1538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9VU:A:1539,valid,Kd,=,2.58,uM,Cc1ccc2c(c1Br)[C@](C(=O)N2)(CC(=O)c3ccc4c(c3)OCO4)O,
2.5.1.3,,,,,,,,,
,Family. Representative Entry is ,2TPS,,,,,,,
,,,MG:A:2005,Part of Protein,,,,,[Mg+2],
,,,MG:B:2006,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TPS:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,,TPS:B:2002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,1G4S,,,,,,,
,,,MG:A:2005,Part of Protein,,,,,[Mg+2],
,,,MG:B:2006,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TPS:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,,TPS:B:2002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,1G67,,,,,,,
,,,ICP:A:2001,valid,,,,,CC1=NC(=N)C(=C)C=N1,
,,,ICP:B:2002,valid,,,,,CC1=NC(=N)C(=C)C=N1,
,,,MG:A:2007,Part of Protein,,,,,[Mg+2],
,,,MG:B:2008,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TZP:A:2005,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,,TZP:B:2006,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,1G4P,,,,,,,
,,,FQP:A:2001,valid,,,,,c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,FQP:B:2002,valid,,,,,c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2004,Part of Protein,,,,,[Mg+2],
,,1G6C,,,,,,,
,,,IFP:A:2001,valid,,,,,C=C1C=NC(=NC1=N)C(F)(F)F,
,,,IFP:B:2002,valid,,,,,C=C1C=NC(=NC1=N)C(F)(F)F,
,,,MG:A:2007,Part of Protein,,,,,[Mg+2],
,,,MG:B:2008,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TZP:A:2005,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,,TZP:B:2006,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,1G4T,,,,,,,
,,,FTP:A:2001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-],
,,,FTP:B:2002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[O-],
,,,MG:A:2005,Part of Protein,,,,,[Mg+2],
,,,MG:B:2006,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1G69,,,,,,,
,,,ICP:A:2001,valid,,,,,CC1=NC(=N)C(=C)C=N1,
,,,ICP:B:2002,valid,,,,,CC1=NC(=N)C(=C)C=N1,
,,,MG:A:2007,Part of Protein,,,,,[Mg+2],
,,,MG:B:2008,Part of Protein,,,,,[Mg+2],
,,,POP:A:2003,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:2004,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TZP:A:2005,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
,,,TZP:B:2006,valid,,,,,Cc1c(scn1)CCOP(=O)(O)O,
2.3.1.176,,,,,,,,,
,Family. Representative Entry is ,6HSP,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,CO8:B:502,valid,,,,,CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:B:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6HSJ,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,COA:B:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
2.3.1.31,,,,,,,,,
,Family. Representative Entry is ,6IOI,,,,,,,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6IOH,,,,,,,
,,,HSE:A:401,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,HSE:B:401,valid,,,,,C(CO)[C@@H](C(=O)O)N,
3.2.1.84,,,,,,,,,
,Family. Representative Entry is ,5H9O,,,,,,,
,,,FMT:A:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1014,invalid,,,,,C(=O)O,
,,,FMT:C:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1011,invalid,,,,,C(=O)O,
,,,FMT:C:1010,invalid,,,,,C(=O)O,
,,,FMT:C:1014,invalid,,,,,C(=O)O,
,,,FMT:A:1007,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,FMT:C:1015,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1019,invalid,,,,,C(=O)O,
,,,FMT:C:1007,invalid,,,,,C(=O)O,
,,,FMT:C:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1006,invalid,,,,,C(=O)O,
,,,FMT:C:1011,invalid,,,,,C(=O)O,
,,,FMT:C:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1013,invalid,,,,,C(=O)O,
,,,FMT:C:1013,invalid,,,,,C(=O)O,
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,NAG:C:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:1018,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1019,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1022,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1018,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1017,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:C:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:C:1020,invalid,,,,,C(CO)O,
,,,PG4:C:1016,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:204,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1016,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1015,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:1017,invalid,,,,,C(COCCOCCOCCO)O,
,,,OXM:A:1020,valid,,,,,C(=O)(C(=O)O)N,
,,,GLC:C:1022,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1021,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,TAR:C:1021,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,5IED,,,,,,,
,,,FMT:A:1021,invalid,,,,,C(=O)O,
,,,FMT:A:1014,invalid,,,,,C(=O)O,
,,,FMT:A:1019,invalid,,,,,C(=O)O,
,,,FMT:A:1020,invalid,,,,,C(=O)O,
,,,FMT:B:206,invalid,,,,,C(=O)O,
,,,FMT:A:1022,invalid,,,,,C(=O)O,
,,,FMT:A:1024,invalid,,,,,C(=O)O,
,,,FMT:A:1016,invalid,,,,,C(=O)O,
,,,FMT:A:1018,invalid,,,,,C(=O)O,
,,,FMT:A:1015,invalid,,,,,C(=O)O,
,,,FMT:A:1023,invalid,,,,,C(=O)O,
,,,FMT:A:1017,invalid,,,,,C(=O)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,P6G:B:204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1007,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1008,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1006,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,PG4:A:1004,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1003,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1005,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,CTS:A:1025,valid,,,,,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5IEF,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,P6G:A:1006,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1007,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,FMT:A:1003,invalid,,,,,C(=O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NBV:A:1005,valid,,,,,CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
,,5IEE,,,,,,,
,,,FMT:A:1021,invalid,,,,,C(=O)O,
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,,FMT:A:1014,invalid,,,,,C(=O)O,
,,,FMT:A:1019,invalid,,,,,C(=O)O,
,,,FMT:A:1020,invalid,,,,,C(=O)O,
,,,FMT:A:1022,invalid,,,,,C(=O)O,
,,,FMT:A:1016,invalid,,,,,C(=O)O,
,,,FMT:A:1018,invalid,,,,,C(=O)O,
,,,FMT:A:1015,invalid,,,,,C(=O)O,
,,,FMT:A:1017,invalid,,,,,C(=O)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,PG4:A:1004,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1003,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1005,invalid,,,,,C(COCCOCCOCCO)O,
,,,P6G:A:1007,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1008,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1006,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1024,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NOJ:A:1023,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5IEG,,,,,,,
,,,P6G:A:1015,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1011,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1009,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1010,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,DMS:A:1012,invalid,,,,,CS(=O)C,
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,FMT:A:1005,invalid,,,,,C(=O)O,
,,,FMT:A:1006,invalid,,,,,C(=O)O,
,,,FMT:A:1007,invalid,,,,,C(=O)O,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1014,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1013,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,6A9:A:1003,valid,,,,,COCCCCCCCCCN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O,
,,5HJR,,,,,,,
,,,FMT:A:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1014,invalid,,,,,C(=O)O,
,,,FMT:C:1016,invalid,,,,,C(=O)O,
,,,FMT:A:1011,invalid,,,,,C(=O)O,
,,,FMT:C:1001,invalid,,,,,C(=O)O,
,,,FMT:A:1016,invalid,,,,,C(=O)O,
,,,FMT:C:1019,invalid,,,,,C(=O)O,
,,,FMT:C:1022,invalid,,,,,C(=O)O,
,,,FMT:D:201,invalid,,,,,C(=O)O,
,,,FMT:A:1015,invalid,,,,,C(=O)O,
,,,FMT:C:1014,invalid,,,,,C(=O)O,
,,,FMT:C:1010,invalid,,,,,C(=O)O,
,,,FMT:C:1017,invalid,,,,,C(=O)O,
,,,FMT:A:1017,invalid,,,,,C(=O)O,
,,,FMT:A:1007,invalid,,,,,C(=O)O,
,,,FMT:C:1020,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,FMT:B:201,invalid,,,,,C(=O)O,
,,,FMT:C:1015,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1019,invalid,,,,,C(=O)O,
,,,FMT:A:1020,invalid,,,,,C(=O)O,
,,,FMT:C:1018,invalid,,,,,C(=O)O,
,,,FMT:C:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1022,invalid,,,,,C(=O)O,
,,,FMT:C:1011,invalid,,,,,C(=O)O,
,,,FMT:C:1021,invalid,,,,,C(=O)O,
,,,FMT:A:1018,invalid,,,,,C(=O)O,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1027,invalid,,,,,C(=O)O,
,,,FMT:A:1013,invalid,,,,,C(=O)O,
,,,FMT:C:1013,invalid,,,,,C(=O)O,
,,,EDO:C:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1026,invalid,,,,,C(CO)O,
,,,EDO:C:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:C:1007,invalid,,,,,C(CO)O,
,,,EDO:C:1026,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,P6G:A:1028,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1027,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1023,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1024,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,5GF:A:1021,invalid,,,,,C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,5GF:C:1023,invalid,,,,,C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,TAR:A:1025,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,OXM:C:1025,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:1024,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:1028,valid,,,,,C(=O)(C(=O)O)N,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4XQM,,,,,,,
,,,MAN:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5HJO,,,,,,,
,,,FMT:A:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1014,invalid,,,,,C(=O)O,
,,,FMT:C:1016,invalid,,,,,C(=O)O,
,,,FMT:C:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1011,invalid,,,,,C(=O)O,
,,,FMT:A:1016,invalid,,,,,C(=O)O,
,,,FMT:A:1015,invalid,,,,,C(=O)O,
,,,FMT:C:1017,invalid,,,,,C(=O)O,
,,,FMT:C:1014,invalid,,,,,C(=O)O,
,,,FMT:C:1010,invalid,,,,,C(=O)O,
,,,FMT:A:1007,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,FMT:C:1015,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:C:1012,invalid,,,,,C(=O)O,
,,,FMT:C:1011,invalid,,,,,C(=O)O,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:C:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1013,invalid,,,,,C(=O)O,
,,,FMT:C:1013,invalid,,,,,C(=O)O,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,DGO:B:201,invalid,,,,,C1=CO[C@@H]([C@H]([C@@H]1O)O)CO,
,,,DGO:D:201,invalid,,,,,C1=CO[C@@H]([C@H]([C@@H]1O)O)CO,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ACT:A:1005,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1006,invalid,,,,,CC(=O)[O-],
,,,EDO:C:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,DGO Z61:G:1,valid,,,,,O(C1C(O)C(CO)OC=C1)C1OC(CO)C(O)C(O)C1,
,,,DGO Z61:H:1,valid,,,,,O(C1C(O)C(CO)OC=C1)C1OC(CO)C(O)C(O)C1,
2.3.1.256,,,,,,,,,
,Family. Representative Entry is ,6YGB,,,,,,,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,PEG:B:816,invalid,,,,,C(COCCO)O,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:B:819,invalid,,,,,C(CO)O,
,,,EDO:B:822,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:820,invalid,,,,,C(CO)O,
,,,EDO:B:818,invalid,,,,,C(CO)O,
,,,EDO:B:821,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:823,invalid,,,,,C(CO)O,
,,,CL:B:811,invalid,,,,,[Cl-],
,,,CL:B:810,invalid,,,,,[Cl-],
,,,CL:B:815,invalid,,,,,[Cl-],
,,,CL:B:813,invalid,,,,,[Cl-],
,,,CL:B:814,invalid,,,,,[Cl-],
,,,CL:B:812,invalid,,,,,[Cl-],
,,,CL:B:809,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,IOD:B:802,invalid,,,,,[I-],
,,,IOD:B:801,invalid,,,,,[I-],
,,,IOD:B:806,invalid,,,,,[I-],
,,,IOD:B:804,invalid,,,,,[I-],
,,,IOD:B:805,invalid,,,,,[I-],
,,,IOD:C:101,invalid,,,,,[I-],
,,,IOD:B:808,invalid,,,,,[I-],
,,,IOD:B:807,invalid,,,,,[I-],
,,,IOD:B:803,invalid,,,,,[I-],
1.1.99.31,,,,,,,,,
,Family. Representative Entry is ,1P4C,,,,,,,
,,,FMN:A:490,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1P5B,,,,,,,
,,,FMN:A:490,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A7N,,,,,,,
,,,FMN:A:390,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1HUV,,,,,,,
,,,FMN:A:390,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A85,,,,,,,
,,,FMN:A:390,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HOC:A:462,valid,,,,,CCCCCC[C@@H](C(=O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3GIY,,,,,,,
,,,FMN:A:900,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2A7P,,,,,,,
,,,3IL:A:410,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O,
,,,FMN:A:390,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:A:890,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6BFG,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LMT:B:407,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:405,invalid,,,,,[Na+],
,,,CIT:A:410,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
1.1.1.263,,,,,,,,,
,Family. Representative Entry is ,2GLX,,,,,,,
,,,ACT:A:1502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2502,invalid,,,,,CC(=O)[O-],
,,,ACT:C:3502,invalid,,,,,CC(=O)[O-],
,,,ACT:D:4502,invalid,,,,,CC(=O)[O-],
,,,ACT:E:5502,invalid,,,,,CC(=O)[O-],
,,,ACT:F:6502,invalid,,,,,CC(=O)[O-],
,,,NDP:A:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:4500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:5500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:6500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
2.7.7.9,,,,,,,,,
,Family. Representative Entry is ,2ICY,,,,,,,
,,,DMS:A:900,invalid,,,,,CS(=O)C,
,,,UPG:A:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:902,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2ICX,,,,,,,
,,,DMS:A:900,invalid,,,,,CS(=O)C,
,,,UTP:A:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:902,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2OEG,,,,,,,
,,,UPG:A:5206,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,3JUK,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,,,MG:C:307,Part of Protein,,,,,[Mg+2],
,,,MG:C:308,Part of Protein,,,,,[Mg+2],
,,,MG:C:309,Part of Protein,,,,,[Mg+2],
,,,MG:D:310,Part of Protein,,,,,[Mg+2],
,,,MG:D:311,Part of Protein,,,,,[Mg+2],
,,,MG:D:312,Part of Protein,,,,,[Mg+2],
,,,UPG:A:282,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:282,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:283,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:284,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,2PA4,,,,,,,
,,,UPG:A:326,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:D:326,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:326,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:326,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MG:A:324,Part of Protein,,,,,[Mg+2],
,,,MG:A:325,Part of Protein,,,,,[Mg+2],
,,,MG:B:325,Part of Protein,,,,,[Mg+2],
,,,MG:C:325,Part of Protein,,,,,[Mg+2],
,,,MG:D:324,Part of Protein,,,,,[Mg+2],
,,,MG:D:325,Part of Protein,,,,,[Mg+2],
,,,MG:B:324,invalid,,,,,[Mg+2],
,,,MG:C:324,invalid,,,,,[Mg+2],
3.5.1.48,,,,,,,,,
,Family. Representative Entry is ,6WDV,,,,,,,
,,,K:A:706,Part of Protein,,,,,[K+],
,,,K:A:705,Part of Protein,,,,,[K+],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TWM:A:701,valid,ic50,=,5,nM,CN(C)Cc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO,
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,6WDW,,,,,,,
,,,K:A:706,Part of Protein,,,,,[K+],
,,,K:A:707,Part of Protein,,,,,[K+],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TWV:A:701,valid,ic50,=,20,nM,CN(C)CCc1cn(c2c1cccc2)Cc3ccc(cc3)C(=O)NO,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,6VNQ,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:708,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,K:A:705,Part of Protein,,,,,[K+],
,,,K:A:706,Part of Protein,,,,,[K+],
,,,R5G:A:701,valid,,,,,c1cc(ccc1Cn2ccc3c2cc(cc3)C(=O)NO)C(=O)NO,
,,6WBQ,,,,,,,
,,,K:A:708,Part of Protein,,,,,[K+],
,,,K:A:707,Part of Protein,,,,,[K+],
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,N9W:A:701,valid,ic50,=,12,nM,CN1CCc2c(c3ccccc3n2Cc4ccc(cc4)C(=O)NO)C1,
,,,PO4:A:711,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:710,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:709,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:712,Part of Protein,,,,,[Zn+2],
3.1.3.86,,,,,,,,,
,Family. Representative Entry is ,4A9C,,,,,,,
,,,B5F:B:1732,valid,ic50,=,24.8,uM,c1c(cc(cc1OP(=O)(O)O)OP(=O)(O)O)c2c(cc(cc2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
1.1.1.283,,,,,,,,,
,Family. Representative Entry is ,4PVD,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.1.1.69,,,,,,,,,
,Family. Representative Entry is ,1VL8,,,,,,,
,,,MG:B:256,Part of Protein,,,,,[Mg+2],
,,,NAP:A:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:274,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:A:256,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3O03,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,GCO:A:274,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,,NAP:A:273,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.5.99.9,,,,,,,,,
,Family. Representative Entry is ,3IQE,,,,,,,
,,,CA:B:286,Part of Protein,,,,,[Ca+2],
,,,CA:B:287,Part of Protein,,,,,[Ca+2],
,,,CA:C:286,Part of Protein,,,,,[Ca+2],
,,,CA:D:286,Part of Protein,,,,,[Ca+2],
,,,F42:A:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:C:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:D:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:E:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:F:285,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,H4M:A:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:B:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:C:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:D:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:E:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:F:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,NA:C:287,Part of Protein,,,,,[Na+],
,,,NA:D:287,Part of Protein,,,,,[Na+],
,,,NA:E:286,Part of Protein,,,,,[Na+],
,,3IQZ,,,,,,,
,,,CA:B:285,Part of Protein,,,,,[Ca+2],
,,,GOL:B:286,invalid,,,,,C(C(CO)O)O,
,,,H4M:A:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:B:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:C:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:D:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:E:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:F:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,NA:D:285,Part of Protein,,,,,[Na+],
,,,NA:E:285,Part of Protein,,,,,[Na+],
,,,NA:F:285,Part of Protein,,,,,[Na+],
,,3IQF,,,,,,,
,,,CA:B:285,Part of Protein,,,,,[Ca+2],
,,,CA:E:285,Part of Protein,,,,,[Ca+2],
,,,CA:I:285,Part of Protein,,,,,[Ca+2],
,,,CA:J:285,Part of Protein,,,,,[Ca+2],
,,,CA:K:285,Part of Protein,,,,,[Ca+2],
,,,CA:K:286,Part of Protein,,,,,[Ca+2],
,,,CA:L:285,Part of Protein,,,,,[Ca+2],
,,,E4M:A:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:B:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:C:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:D:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:E:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:F:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:G:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:H:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:I:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:J:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:K:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,E4M:L:284,valid,,,,,C[C@H]1[C@@H]2[C@H](N(C=[N+]2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)CO[P@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,NA:F:285,invalid,,,,,[Na+],
2.4.1.149,,,,,,,,,
,Family. Representative Entry is ,6WMN,,,,,,,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,MAN:F:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:C:407,invalid,,,,,[Cl-],
,,7JHI,,,,,,,
,,,IOD:B:413,invalid,,,,,[I-],
,,,IOD:A:414,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:D:408,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:B:411,invalid,,,,,[I-],
,,,IOD:D:405,invalid,,,,,[I-],
,,,IOD:C:407,invalid,,,,,[I-],
,,,IOD:B:410,invalid,,,,,[I-],
,,,IOD:C:409,invalid,,,,,[I-],
,,,IOD:C:413,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:D:403,invalid,,,,,[I-],
,,,IOD:D:402,invalid,,,,,[I-],
,,,IOD:B:409,invalid,,,,,[I-],
,,,IOD:C:404,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:B:407,invalid,,,,,[I-],
,,,IOD:D:406,invalid,,,,,[I-],
,,,IOD:C:412,invalid,,,,,[I-],
,,,IOD:C:406,invalid,,,,,[I-],
,,,IOD:A:412,invalid,,,,,[I-],
,,,IOD:A:413,invalid,,,,,[I-],
,,,IOD:D:404,invalid,,,,,[I-],
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:408,invalid,,,,,[I-],
,,,IOD:D:407,invalid,,,,,[I-],
,,,IOD:C:411,invalid,,,,,[I-],
,,,IOD:D:401,invalid,,,,,[I-],
,,,IOD:A:411,invalid,,,,,[I-],
,,,IOD:B:412,invalid,,,,,[I-],
,,,IOD:C:408,invalid,,,,,[I-],
,,,IOD:C:405,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,IOD:C:410,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:D:410,invalid,,,,,[Cl-],
,,,CL:D:409,invalid,,,,,[Cl-],
,,,CL:C:414,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UDP:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,PG4:C:415,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6WMM,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EPE:B:407,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:409,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6WMO,,,,,,,
,,,NAG:A:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:411,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MAN:F:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
3.4.13.21,,,,,,,,,
,Family. Representative Entry is ,6A4R,,,,,,,
,,,ASP:A:301,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:301,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
1.7.99.4,,,,,,,,,
,Family. Representative Entry is ,2V3V,,,,,,,
,,,LCP:A:814,invalid,,,,,[O-]Cl(=O)(=O)=O,
,,,LCP:A:815,invalid,,,,,[O-]Cl(=O)(=O)=O,
,,,LCP:A:816,invalid,,,,,[O-]Cl(=O)(=O)=O,
,,,LCP:A:817,invalid,,,,,[O-]Cl(=O)(=O)=O,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,,2JIR,,,,,,,
,,,CYN:A:813,invalid,,,,,[C-]#N,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,NO2:A:814,invalid,,,,,N(=O)[O-],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2NAP,,,,,,,
,,,MES:A:2300,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,2JIP,,,,,,,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,,2JIQ,,,,,,,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,NO2:A:814,invalid,,,,,N(=O)[O-],
,,,NO3:A:815,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:816,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:817,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:818,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:819,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:820,invalid,,,,,[N+](=O)([O-])[O-],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,,2V45,,,,,,,
,,,LCP:A:814,invalid,,,,,[O-]Cl(=O)(=O)=O,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,,2JIO,,,,,,,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,,2JIM,,,,,,,
,,,MGD:A:811,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:812,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:810,Part of Protein,,,,,[Mo],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:813,invalid,,,,,*,
,Family. Representative Entry is ,3ML1,,,,,,,
,,,7278_:A:1802,Part of Protein,,,,,,
,,,7279_:A:1802,invalid,,,,,,
,,,HEC:B:1128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:1129,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MGD:A:1803,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3O5A,,,,,,,
,,,7147_:A:1802,Part of Protein,,,,,,
,,,7148_:A:1802,invalid,,,,,,
,,,CL:A:816,invalid,,,,,[Cl-],
,,,FMT:A:803,invalid,,,,,C(=O)O,
,,,FMT:A:804,invalid,,,,,C(=O)O,
,,,FMT:A:805,invalid,,,,,C(=O)O,
,,,FMT:A:806,invalid,,,,,C(=O)O,
,,,FMT:A:807,invalid,,,,,C(=O)O,
,,,FMT:A:808,invalid,,,,,C(=O)O,
,,,FMT:A:809,invalid,,,,,C(=O)O,
,,,FMT:A:810,invalid,,,,,C(=O)O,
,,,FMT:A:811,invalid,,,,,C(=O)O,
,,,FMT:A:812,invalid,,,,,C(=O)O,
,,,FMT:A:813,invalid,,,,,C(=O)O,
,,,FMT:A:814,invalid,,,,,C(=O)O,
,,,FMT:A:815,invalid,,,,,C(=O)O,
,,,FMT:B:135,invalid,,,,,C(=O)O,
,,,FMT:B:136,invalid,,,,,C(=O)O,
,,,FMT:B:137,invalid,,,,,C(=O)O,
,,,FMT:B:138,invalid,,,,,C(=O)O,
,,,FMT:B:139,invalid,,,,,C(=O)O,
,,,FMT:B:140,invalid,,,,,C(=O)O,
,,,HEC:B:1128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:1129,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MGD:A:1803,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,2NYA,,,,,,,
,,,6MO:A:2002,Part of Protein,,,,,[Mo+6],
,,,6MO:F:5002,Part of Protein,,,,,[Mo+6],
,,,MGD:A:3001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:4001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:F:6001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:F:7001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:2001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:F:5001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,1Y4Z,,,,,,,
,,,6MO:A:3800,Part of Protein,,,,,[Mo+6],
,,,AGA:A:1309,invalid,,,,,CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O,
,,,F3S:B:1803,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:1805,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1800,Part of Protein,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:2800,Part of Protein,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,PCI:C:1808,valid,Ki,=,57,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,SF4:A:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1804,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3IR7,,,,,,,
,,,6MO:A:1250,Part of Protein,,,,,[Mo+6],
,,,AGA:A:1249,invalid,,,,,CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O,
,,,F3S:B:805,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1247,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1251,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,SF4:A:1248,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:803,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:804,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3IR5,,,,,,,
,,,6MO:A:1248,Part of Protein,,,,,[Mo+6],
,,,AGA:A:1250,invalid,,,,,CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O,
,,,F3S:B:805,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1247,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1251,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,SF4:A:1249,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:803,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:804,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1Q16,,,,,,,
,,,3PH:B:1310,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,6MO:A:1302,Part of Protein,,,,,[Mo+6],
,,,AGA:A:1309,valid,,,,,CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O,
,,,F3S:B:1405,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:1301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,SF4:A:1401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1404,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1Y5N,,,,,,,
,,,3PH:B:1806,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,6MO:A:3800,Part of Protein,,,,,[Mo+6],
,,,AGA:C:309,invalid,,,,,CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O,
,,,F3S:B:1805,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1800,Part of Protein,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MD1:A:2800,Part of Protein,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,PCI:C:808,valid,Ki,=,57,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,SF4:A:1801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1803,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1804,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1SIW,,,,,,,
,,,3PH:A:1309,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,3PH:B:1310,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,F3S:B:805,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,GDP:A:1247,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HEM:C:806,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:807,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SF4:A:1248,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:802,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:803,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:804,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,1R27,,,,,,,
,,,F3S:B:5808,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:D:7808,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,MGD:A:5801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:5802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:7801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:7802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:5803,Part of Protein,,,,,[Mo],
,,,MO:C:7803,Part of Protein,,,,,[Mo],
,,,SF4:A:5807,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:5800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:5805,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:5806,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:7807,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:7800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:7805,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:7806,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
2.5.1.1,,,,,,,,,
,Family. Representative Entry is ,4JZB,,,,,,,
,,,P2H:B:402,valid,Kd,=,342.5,nM,c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,P2H:A:405,valid,Kd,=,342.5,nM,c1ccc(cc1)c2ccc[n+](c2)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,IPE:A:404,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:401,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,4JZX,,,,,,,
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,IPE:A:401,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:401,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,476:B:402,valid,Kd,=,198.6,nM,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,476:A:402,valid,Kd,=,198.6,nM,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,6W7I,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,476:B:405,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,476:A:406,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,IPR:B:404,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:A:405,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3KRO,,,,,,,
,,,DST:D:2002,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,EDO:C:2005,invalid,,,,,C(CO)O,
,,,IPE:A:2003,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:D:2001,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,PPV:A:2004,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,3OAB,,,,,,,
,,,DST:A:804,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:D:802,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,IPE:D:801,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,,PPV:A:803,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,3KRC,,,,,,,
,,,EDO:C:903,invalid,,,,,C(CO)O,
,,,IPE:A:902,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:D:901,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3KRF,,,,,,,
,,,DST:D:802,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,EDO:C:805,invalid,,,,,C(CO)O,
,,,IPE:D:801,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,,PPV:A:803,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:A:804,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,3KRP,,,,,,,
,,,EDO:C:902,invalid,,,,,C(CO)O,
,,,GPP:D:900,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:905,Part of Protein,,,,,[Mg+2],
,,,MG:A:906,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:904,Part of Protein,,,,,[Mg+2],
,,,PPV:A:901,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,6VJC,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,476:B:405,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,476:A:405,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,IPR:B:404,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:A:404,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4K10,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,NA:C:402,invalid,,,,,[Na+],
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:A:403,invalid,,,,,[Na+],
,,,NI9:A:406,valid,Kd,=,119.5,nM,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,NI9:B:405,valid,Kd,=,119.5,nM,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,NI9:D:405,valid,Kd,=,119.5,nM,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,NI9:C:405,valid,Kd,=,119.5,nM,c1cc(c[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O)F,
,,,MES:D:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6WW1,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,476:B:405,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,476:A:405,valid,,,,,CCCCc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,IPR:B:404,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:A:404,invalid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1UBY,,,,,,,
,,,DMA:A:401,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,1UBX,,,,,,,
,,,FPP:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1UBW,,,,,,,
,,,GPP:A:401,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
1.14.12.12,,,,,,,,,
,Family. Representative Entry is ,1O7N,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,FE:A:509,Part of Protein,,,,,[Fe+3],
,,,FES:A:508,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IND:A:505,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,OXY:A:506,invalid,,,,,O=O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O7G,,,,,,,
,,,EDO:A:1448,invalid,,,,,C(CO)O,
,,,EDO:A:1449,invalid,,,,,C(CO)O,
,,,EDO:B:1695,invalid,,,,,C(CO)O,
,,,EDO:B:1696,invalid,,,,,C(CO)O,
,,,EDO:B:1697,invalid,,,,,C(CO)O,
,,,EDO:B:1698,invalid,,,,,C(CO)O,
,,,FE:A:1453,Part of Protein,,,,,[Fe+3],
,,,FES:A:1452,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NPY:A:1450,valid,,,,,c1ccc2ccccc2c1,
,,,SO4:A:1451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1699,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HMM,,,,,,,
,,,AN3:A:801,valid,,,,,c1ccc2cc3ccccc3cc2c1,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:820,invalid,,,,,C(CO)O,
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:826,invalid,,,,,C(CO)O,
,,,EDO:A:827,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:B:816,invalid,,,,,C(CO)O,
,,,EDO:B:818,invalid,,,,,C(CO)O,
,,,EDO:B:823,invalid,,,,,C(CO)O,
,,,EDO:B:825,invalid,,,,,C(CO)O,
,,,FE:A:450,Part of Protein,,,,,[Fe+3],
,,,FES:A:829,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:828,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UUV,,,,,,,
,,,EDO:A:1449,invalid,,,,,C(CO)O,
,,,EDO:A:1450,invalid,,,,,C(CO)O,
,,,EDO:A:1451,invalid,,,,,C(CO)O,
,,,EDO:B:1695,invalid,,,,,C(CO)O,
,,,EDO:B:1696,invalid,,,,,C(CO)O,
,,,FE:A:1454,Part of Protein,,,,,[Fe+3],
,,,FES:A:1448,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IND:A:1452,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,NO:A:1453,invalid,,,,,[N]=O,
,,,SO4:B:1697,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1698,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1699,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HMO,,,,,,,
,,,3NT:A:801,valid,,,,,Cc1cccc(c1)[N+](=O)[O-],
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:820,invalid,,,,,C(CO)O,
,,,FE:A:450,Part of Protein,,,,,[Fe+3],
,,,FES:A:815,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HML,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,FE:A:450,Part of Protein,,,,,[Fe+3],
,,,FES:A:714,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PEY:A:701,valid,,,,,c1ccc2c(c1)ccc3c2cccc3,
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EG9,,,,,,,
,,,FE:A:752,Part of Protein,,,,,[Fe+3],
,,,FES:A:751,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,IND:A:708,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,SO4:A:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HMK,,,,,,,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:A:724,invalid,,,,,C(CO)O,
,,,EDO:A:725,invalid,,,,,C(CO)O,
,,,EDO:A:726,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,FE:A:451,Part of Protein,,,,,[Fe+3],
,,,FES:A:454,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PEY:A:701,valid,,,,,c1ccc2c(c1)ccc3c2cccc3,
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:196,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HMN,,,,,,,
,,,AN3:A:701,valid,,,,,c1ccc2cc3ccccc3cc2c1,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,FE:A:450,Part of Protein,,,,,[Fe+3],
,,,FES:A:725,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:723,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:724,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:721,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1O7P,,,,,,,
,,,EDO:A:1448,invalid,,,,,C(CO)O,
,,,EDO:A:1449,invalid,,,,,C(CO)O,
,,,EDO:B:1695,invalid,,,,,C(CO)O,
,,,EDO:B:1696,invalid,,,,,C(CO)O,
,,,EDO:B:1697,invalid,,,,,C(CO)O,
,,,EDO:B:1698,invalid,,,,,C(CO)O,
,,,FE:A:1453,Part of Protein,,,,,[Fe+3],
,,,FES:A:1452,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NDH:A:1450,valid,,,,,c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O,
,,,SO4:A:1451,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1699,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1700,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.150,,,,,,,,,
,Family. Representative Entry is ,2EBS,,,,,,,
,,,BGC BGC BGC XYS BGC XYS XYS:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS:D:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
2.7.1.153,,,,,,,,,
,Family. Representative Entry is ,5FI4,,,,,,,
,,,5XV:A:1102,valid,ic50,=,0.003,uM,C[C@@H](C(F)(F)F)Oc1c(ncc(n1)c2ccc3nc(cn3c2)NC(=O)C)N,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,4JPS,,,,,,,
,,,1LT:A:1102,valid,,,,,Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3ccnc(c3)C(C)(C)C(F)(F)F,
,,,SCN:A:1101,invalid,,,,,C(#N)[S-],
,,5UK8,,,,,,,
,,,8DV:A:1101,valid,Kd,=,0.4,uM,C[C@@H]1COCCN1c2cc(nc(n2)c3cccc4c3cc[nH]4)C5(CC5)S(=O)(=O)C6CC6,
,Family. Representative Entry is ,5AE9,,,,,,,
,,,OKO:A:4000,valid,Ki,=,0.0794,nM,C[C@@H]1CN(C[C@@H](O1)C)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cc(c(nc5)OC)NS(=O)(=O)C,
,,2WXP,,,,,,,
,,,GD9:A:1500,valid,ic50,=,3,nM,CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6,
,,2WXL,,,,,,,
,,,ZS4:A:1500,valid,ic50,=,4.6,nM,c1ccc2c(c1)nc(n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5)C(F)F,
,,6TNR,,,,,,,
,,,NQ2:A:4000,valid,ic50,=,0.00000001,M,CC(C)(C1CCN(CC1)CCOc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O)C)O,
,,2WXO,,,,,,,
,,,ZZP:A:1500,valid,ic50,=,90,nM,COC1=CC(=C/C(=Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC,
,,6Q74,,,,,,,
,,,HKN:A:4001,valid,,,,,Cc1nc(cn1Cc2ccccc2)S(=O)(=O)Nc3cc(cnc3OC)C4=CCOCC4,
,,5T2B,,,,,,,
,,,74O:A:1101,valid,ic50,=,5,nM,Cn1c(nc(n1)c2cnc(c(n2)c3c[nH]nc3)N)C4(CC4)c5ccccc5,
,,2WXF,,,,,,,
,,,039:A:1500,valid,ic50,=,180,nM,COc1ccccc1N2C(=Nc3cccc(c3C2=O)Cl)CSc4c5c([nH]cn5)ncn4,
,,6ZAC,,,,,,,
,,,QDE:A:4000,valid,,,,,CN(C)Cc1ccc2c(c1)N(CCO2)c3cc(c(nc3)OC)NS(=O)(=O)C,
,,6FTN,,,,,,,
,,,E78:A:1101,valid,ic50,=,200,nM,Cc1cc(cc2c1C(=O)N(C2)[C@@H](C)C3CC3)c4c(nc(s4)NC(=O)C)C,
,,6TNS,,,,,,,
,,,NQ5:A:4000,valid,ic50,=,0.00000001,M,COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3,
,,5NCZ,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,8TN:A:1105,valid,ic50,=,0.79,nM,CC1=CSC2=CC(=C(C(=O)N12)c3cccc(c3)CN(C)C)[C@H](C)Nc4c(c(ncn4)N)C#N,
,,4XE0,,,,,,,
,,,40L:A:1101,valid,ic50,=,19,nM,CC[C@@H](C1=Nc2cccc(c2C(=O)N1c3ccccc3)F)Nc4c5c(nc[nH]5)ncn4,
,,2X38,,,,,,,
,,,IC8:A:2028,valid,ic50,=,130,nM,Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4cnc5c4ncnc5N,
,,5AE8,,,,,,,
,,,VVX:A:2033,valid,Ki,=,0.126,nM,CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3cn[nH]4)c5cccc6c5cc[nH]6,
,,6Q73,,,,,,,
,,,HKK:A:4001,valid,,,,,CS(=O)(=O)Nc1cc(cnc1Cl)C2=CCOCC2,
,,5T2I,,,,,,,
,,,74J:A:1101,valid,ic50,=,2,nM,Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5,
,,2WXG,,,,,,,
,,,ZZN:A:1500,valid,ic50,=,0.7,nM,Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5)N,
,,5NCY,,,,,,,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,8TK:A:1104,valid,ic50,=,0.4,nM,CC1=CSC2=CC(=C(C(=O)N12)c3ccccc3)[C@H](C)Nc4c(c(ncn4)N)C#N,
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q6Y,,,,,,,
,,,HKQ:A:4001,valid,,,,,c1ccc(cc1)c2cc(c(nc2)Cl)NS(=O)(=O)c3ccccc3,
,,6ZAD,,,,,,,
,,,QDW:A:1101,valid,,,,,CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1,
,Family. Representative Entry is ,6C1S,,,,,,,
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EFV:A:1201,valid,Ki,=,0.004,uM,COc1cc(cnc1OC)c2ccc3c(n2)CN(C3=O)c4cnn(c4)CC#N,
,,4FUL,,,,,,,
,,,0VU:A:1201,valid,,,,,c1cc(cc(c1)C(=O)N2CCCCC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N,
,,4ANW,,,,,,,
,,,O92:A:1189,valid,ic50,=,18,nM,CNC(=O)c1c(ncc(n1)c2ccc(c(c2)S(=O)(=O)Nc3cccc(c3F)F)Cl)N,
,,,SO4:A:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4WWP,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,3VE:A:1204,valid,ic50,=,0.12,uM,Cc1c(cccn1)c2c(cc3cccc(c3n2)Cl)[C@H](C)Nc4c5c([nH]cn5)ncn4,
,,6AUD,,,,,,,
,,,BWY:A:1201,valid,,,,,CC(C)n1c(ncn1)c2cn3c(n2)-c4cc(ccc4OCC3)S(=O)C5CCN(CC5)C(C)(C)C,
,,4ANV,,,,,,,
,,,751:A:1201,valid,ic50,=,441,nM,COc1ccc(cc1)c2cccc(c2)S(=O)(=O)N3CCN(CC3)c4c(nccn4)c5ccc(cc5)OC,
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5JHB,,,,,,,
,,,6K5:A:1201,valid,Kd,=,873,nM,c1c(c(cnc1N)c2nc(nc(n2)N3CC(C3)(CO)CCl)N4CCOCC4)C(F)(F)F,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5G55,,,,,,,
,,,SO4:A:2096,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3QH:A:2095,valid,,,,,Cc1ccc(cc1)[C@@H](C)Nc2c3cc(ccc3ncc2C(=O)N)C#N,
,,1E7V,,,,,,,
,,,LY2:A:3095,valid,,,,,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4,
,,2CHX,,,,,,,
,,,090:A:2093,valid,,,,,COc1ccc2c(c1OC)nc([n+]3c2[nH]cc3)NC(=O)c4cccnc4,
,,4WWO,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3VD:A:1205,valid,ic50,=,0.038,uM,C[C@@H](c1cc2cccc(c2nc1c3cccc(c3)F)Cl)Nc4c5c([nH]cn5)ncn4,
,,1E8Z,,,,,,,
,,,STU:A:3001,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3R7Q,,,,,,,
,,,FAV:A:1,valid,ic50,=,0.108,uM,CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC3,
,,4GB9,,,,,,,
,,,0WR:A:1201,valid,,,,,CC(C)(C1CCN(CC1)Cc2nc3c(n2C)nc(nc3N4CCOCC4)n5c6ccccc6nc5N(C)C)O,
,,3ENE,,,,,,,
,,,NPZ:A:1,valid,Ki,=,0.57,uM,Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N,
,,3LJ3,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WYE:A:1109,valid,ic50,=,43,nM,Cn1cc(c2c1nccc2N3CCN(CC3)C)/C=C4/C(=O)c5c(cc(cc5O4)O)O,
,,2V4L,,,,,,,
,,,ABJ:A:2093,valid,ic50,=,1.5,uM,CC(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,4HVB,,,,,,,
,,,19P:A:1201,valid,,,,,Cc1ccc(cn1)c2ccc3c(n2)c4c(cn3)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C,
,,1E8W,,,,,,,
,,,QUE:A:2095,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,1E8X,,,,,,,
,,,ATP:A:3000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LU:A:3001,invalid,,,,,[Lu+3],
,,,LU:A:3002,invalid,,,,,[Lu+3],
,,,LU:A:3003,invalid,,,,,[Lu+3],
,,,LU:A:3004,invalid,,,,,[Lu+3],
,,,LU:A:3005,invalid,,,,,[Lu+3],
,,,LU:A:3006,invalid,,,,,[Lu+3],
,,,LU:A:3007,invalid,,,,,[Lu+3],
,,,LU:A:3008,invalid,,,,,[Lu+3],
,,,LU:A:3009,invalid,,,,,[Lu+3],
,,3ZVV,,,,,,,
,,,XAZ:A:1500,valid,ic50,=,915,uM,Cc1cc(n2c(n1)cc(n2)N)C,
,Family. Representative Entry is ,6PYR,,,,,,,
,,,P5J:A:1101,valid,ic50,=,1,nM,Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6,
,,7JIS,,,,,,,
,,,VBS:A:1101,valid,ic50,=,1.9,nM,CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C,
,Family. Representative Entry is ,6EZ6,,,,,,,
,,,C5Z:A:1101,valid,,,,,CC(C)N1CCN(CC1)Cc2cnc(o2)c3cc(cc4c3c[nH]n4)c5cc(c(nc5)OC)C(=O)OC,
,Family. Representative Entry is ,5DXT,,,,,,,
,,,5H5:A:1101,valid,Ki,=,0.2,nM,C[C@@H](C(=O)N)Oc1ccc-2c(c1)OCCn3c2nc(c3)c4ncnn4C(C)C,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,6PYS,,,,,,,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,P5J:A:1101,valid,,,,,Cc1ncc(cn1)c2ccn3c(n2)c(cn3)c4ccc5c(c4)[C@](C(=O)N5)(C)Cc6ccccc6,
,,5UBR,,,,,,,
,,,85S:A:4000,valid,,,,,CC(=O)N1CCN(CC1)c2cccc(c2)c3cc(c4n3ncnc4N)c5ccnn5C6CCOCC6,
,,6GVF,,,,,,,
,,,FE5:A:1101,valid,Ki,=,28,nM,CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn2)N,
3.5.1.33,,,,,,,,,
,Family. Representative Entry is ,3NZK,,,,,,,
,,,C90:A:501,valid,Ki,=,0.54,nM,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O,
,,,C90:B:501,valid,Ki,=,0.54,nM,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,4MQY,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,UKW:A:409,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,2CW:A:402,valid,,,,,C[C@H]([C@@](C)(C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O,
,,4IS9,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,LTF:A:503,valid,,,,,CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO,
,,,LTF:B:402,valid,,,,,CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO,
,,,NA:B:403,invalid,,,,,[Na+],
,,,IPA:B:404,invalid,,,,,CC(C)O,
,,,IPA:A:501,invalid,,,,,CC(C)O,
,,3PS1,,,,,,,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UKW:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O,
,,,ZH2:A:401,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4ISA,,,,,,,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:419,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:415,invalid,,,,,C(=O)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:418,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:A:420,invalid,,,,,C(=O)O,
,,,FMT:A:416,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,D1D:A:421,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,GVR:A:403,valid,,,,,c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3,
,,,GVR:A:402,valid,,,,,c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
2.3.1.258,,,,,,,,,
,Family. Representative Entry is ,6WFN,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,U2J:A:202,valid,Kd,=,27,nM,CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,6WFO,,,,,,,
,,,U3Y:A:202,valid,Kd,=,470,nM,CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,U3Y:B:202,valid,Kd,=,470,nM,CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,U3Y:C:202,valid,Kd,=,470,nM,CNC(=O)c1csc(n1)[C@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6WFK,,,,,,,
,,,U2J:B:202,valid,Kd,=,32,nM,CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,U2J:C:202,valid,Kd,=,32,nM,CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,U2J:A:202,valid,Kd,=,32,nM,CNC(=O)c1csc(n1)[C@@H]2C[C@@H](CN2C(=O)c3ccc(cc3)c4[nH]nnn4)NC(=O)[C@@H]5CC(=O)N(C(=O)N5)C,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6WF5,,,,,,,
,,,ACE MET LEU GLY PRO NH2 U44:C:1,valid,ic50,=,10.5,uM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(C)(C)C,
,,,ACE MET LEU GLY PRO NH2 U44:D:1,valid,ic50,=,10.5,uM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(C)(C)C,
,,6WFG,,,,,,,
,,,U3V:A:202,valid,ic50,=,2700,nM,CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3,
,,,U3V:E:202,valid,ic50,=,2700,nM,CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3,
,,,U3V:C:202,valid,ic50,=,2700,nM,CC(C)(C)c1cc(n(n1)C)C(=O)N2CCC(CC2)C[C@@H](C(=O)NC)NC(=O)[C@@H]3CCCC(=O)N3,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6WF3,,,,,,,
,,,ACE MET LEU GLY PRO NH2 COA:H:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,ACE MET LEU GLY PRO NH2 COA:G:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,ACE MET LEU GLY PRO NH2 COA:K:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,ACE MET LEU GLY PRO NH2 COA:L:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,ACE MET LEU GLY PRO NH2 COA:J:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,ACE MET LEU GLY PRO NH2 COA:I:1,valid,ic50,=,30,nM,S(CC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1C(C(=O)[NH3+])CCC1)CC(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
3.4.21.59,,,,,,,,,
,Family. Representative Entry is ,2ZA5,,,,,,,
,,,2FF:A:4,valid,Ki,=,3.7,nM,c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,2FF:B:1,valid,Ki,=,3.7,nM,c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,2FF:C:2,valid,Ki,=,3.7,nM,c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,2FF:D:3,valid,Ki,=,3.7,nM,c1ccc(cc1)C#Cc2ccc(o2)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,5F03,,,,,,,
,,,5TA:A:301,valid,,,,,c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN,
,,,5TA:B:301,valid,,,,,c1cc(cc(c1)OC[C@@H]2CN(C(=O)O2)c3cccc(c3)C#Cc4cccnc4Cl)CN,
,,2FPZ,,,,,,,
,,,270:A:1000,valid,Ki,=,110,uM,C1=CC2=NC(N=C2C=C1)N,
,,,270:B:1001,valid,Ki,=,110,uM,C1=CC2=NC(N=C2C=C1)N,
,,,270:C:1002,valid,Ki,=,110,uM,C1=CC2=NC(N=C2C=C1)N,
,,,270:D:1003,valid,Ki,=,110,uM,C1=CC2=NC(N=C2C=C1)N,
,,2BM2,,,,,,,
,,,PM2:A:3211,valid,Ki,=,15,nM,c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN,
,,,PM2:B:3211,valid,Ki,=,15,nM,c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN,
,,,PM2:C:3211,valid,Ki,=,15,nM,c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN,
,,,PM2:D:3211,valid,Ki,=,15,nM,c1ccc(cc1)CCc2cc(cnc2)C(=O)N3CCC(CC3)c4cccc(c4)CN,
,,3V7T,,,,,,,
,,,0GX:A:301,valid,Ki,=,62,nM,CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br,
,,,0GX:B:301,valid,Ki,=,62,nM,CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br,
,,,0GX:C:301,valid,Ki,=,62,nM,CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br,
,,,0GX:D:301,valid,Ki,=,62,nM,CCCOc1c(c(c(s1)C(=O)N2[C@@H]3CC[C@H]2CC(C3)c4cc(ccc4F)CN)C)Br,
,,,CO3:A:302,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:302,invalid,,,,,C(=O)([O-])[O-],
,,2ZEB,,,,,,,
,,,11M:A:244,valid,,,,,CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,11M:B:244,valid,,,,,CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,11M:C:244,valid,,,,,CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,,11M:D:244,valid,,,,,CSc1c2ccccc2c(s1)C(=O)N3CCC4(CC3)COc5c4cc(cc5)CN,
,,4A6L,,,,,,,
,,,P43:A:1263,valid,Ki,=,10,nM,c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F,
,,,P43:B:1263,valid,Ki,=,10,nM,c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F,
,,,P43:C:1263,valid,Ki,=,10,nM,c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F,
,,,P43:D:1263,valid,Ki,=,10,nM,c1ccc(c(c1)C#Cc2ccc(o2)C(=O)N3CCC(CC3)c4cccc(c4)CN)F,
,,2ZEC,,,,,,,
,,,11N:A:1,valid,,,,,c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN,
,,,11N:B:4,valid,,,,,c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN,
,,,11N:C:2,valid,,,,,c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN,
,,,11N:D:3,valid,,,,,c1ccc(cc1)C=CC(=O)N2CCC3(CC2)COc4c3cc(cc4)CN,
3.6.5.1,,,,,,,,,
,Family. Representative Entry is ,2OM2,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:356,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:C:801,Part of Protein,,,,,[Mg+2],
,,3ONW,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2XTZ,,,,,,,
,,,CL:A:1383,invalid,,,,,[Cl-],
,,,CL:B:1380,invalid,,,,,[Cl-],
,,,CL:B:1382,invalid,,,,,[Cl-],
,,,CL:C:1386,invalid,,,,,[Cl-],
,,,GSP:A:1382,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:1379,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:C:1382,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1381,Part of Protein,,,,,[Mg+2],
,,,MG:B:1378,Part of Protein,,,,,[Mg+2],
,,,MG:C:1381,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1381,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1383,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.21.74,,,,,,,,,
,Family. Representative Entry is ,2AIQ,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,BEN:A:401,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:701,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
2.6.1.30,,,,,,,,,
,Family. Representative Entry is ,2Z9V,,,,,,,
,,,GOL:A:953,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:955,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:954,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:956,invalid,,,,,C(C(CO)O)O,
,,,PXM:A:1501,valid,,,,,Cc1c(c(c(cn1)CO)CN)O,
,,,PXM:B:2501,valid,,,,,Cc1c(c(c(cn1)CO)CN)O,
,,,SO4:A:1601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2604,invalid,,,,,[O-]S(=O)(=O)[O-],
2.1.1.200,,,,,,,,,
,Family. Representative Entry is ,4CNE,,,,,,,
,,,SAH:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PEG:B:1200,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4CNG,,,,,,,
,,,SAH:A:1158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1157,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:B:1157,invalid,,,,,C(C(CO)O)O,
,,4CNF,,,,,,,
,,,GOL:A:1200,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1200,invalid,,,,,C(C(CO)O)O,
,,,MTA:A:1400,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
2.3.2.4,,,,,,,,,
,Family. Representative Entry is ,3JUC,,,,,,,
,,,NO3:A:154,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:155,invalid,,,,,[N+](=O)([O-])[O-],
,,,PCA:A:1001,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
2.3.1.229,,,,,,,,,
,Family. Representative Entry is ,6WN0,,,,,,,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,U4Y:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N,
,,,U4Y:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)NC(=O)/C=C/C4C=CC(C=C4)O)O)O)N,
1.7.1.7,,,,,,,,,
,Family. Representative Entry is ,6LK4,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GTP:A:601,valid,Kd,=,6.75,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6JIG,,,,,,,
,,,5GP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:603,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,2BLE,,,,,,,
,,,5GP:A:1344,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:1345,Part of Protein,,,,,[Na+],
,,,NA:A:1346,Part of Protein,,,,,[Na+],
,,2BWG,,,,,,,
,,,5GP:A:1340,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:1339,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:1339,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:1339,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:1339,Part of Protein,,,,,[K+],
,,,K:B:1338,Part of Protein,,,,,[K+],
,,,K:C:1338,Part of Protein,,,,,[K+],
,,,K:D:1338,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,2C6Q,,,,,,,
,,,IMP:A:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1339,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:E:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:F:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:G:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:H:1337,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,NDP:A:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:1338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2BZN,,,,,,,
,,,IMP:A:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:E:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:F:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:G:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:H:1338,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
2.7.14.1,,,,,,,,,
,Family. Representative Entry is ,6FH3,,,,,,,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,RPI:B:401,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,RPI:A:401,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
2.1.1.228,,,,,,,,,
,Family. Representative Entry is ,6QRB,,,,,,,
,,,JEQ:A:301,valid,Kd,=,27,nM,c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,,JEQ:B:301,valid,Kd,=,27,nM,c1ccc(cc1)CN2CCC[C@H](C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,6QQR,,,,,,,
,,,JDN:B:301,valid,,,,,B(c1ccc2c(c1)cc[nH]2)(O)O,
,,6QOA,,,,,,,
,,,JBN:A:301,valid,,,,,c1cnoc1C(=O)N,
,,,JBN:B:301,valid,,,,,c1cnoc1C(=O)N,
,,6QOF,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,ADE:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,6QQY,,,,,,,
,,,JD2:A:301,valid,Kd,=,0.5,uM,c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,JD2:B:301,valid,Kd,=,0.5,uM,c1ccnc(c1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,6QRF,,,,,,,
,,,JF5:B:301,valid,Kd,=,33,uM,c1ccc(cc1)COC(=O)c2c[nH]nc2,
,,,JF5:A:301,valid,Kd,=,33,uM,c1ccc(cc1)COC(=O)c2c[nH]nc2,
,,,JF5:A:302,valid,Kd,=,33,uM,c1ccc(cc1)COC(=O)c2c[nH]nc2,
,,,JF5:A:303,valid,Kd,=,33,uM,c1ccc(cc1)COC(=O)c2c[nH]nc2,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOJ,,,,,,,
,,,JBH:A:301,valid,,,,,c1ccc2c(c1)C(NC=N2)O,
,,,JBH:B:301,valid,,,,,c1ccc2c(c1)C(NC=N2)O,
,,6QR5,,,,,,,
,,,JFH:A:301,valid,Kd,=,0.49,uM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5,
,,,JFH:B:301,valid,Kd,=,0.49,uM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCC5,
,,6QOR,,,,,,,
,,,JBK:A:301,valid,,,,,c1cc(c(c(c1)O)N)[N+](=O)[O-],
,,,JBK:B:301,valid,,,,,c1cc(c(c(c1)O)N)[N+](=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QON,,,,,,,
,,,J9W:B:301,valid,,,,,c1ccc2c(c1)C(=O)NC(=O)O2,
,,,J9W:A:301,valid,,,,,c1ccc2c(c1)C(=O)NC(=O)O2,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOO,,,,,,,
,,,JAB:B:301,valid,,,,,c1cnoc1C(=S)N,
,,,JAB:A:301,valid,,,,,c1cnoc1C(=S)N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOK,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J9T:A:301,valid,,,,,COC(=O)c1ccnc(c1)N,
,,,J9T:B:301,valid,,,,,COC(=O)c1ccnc(c1)N,
,,6QR6,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JCK:B:301,valid,Kd,=,0.027,uM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5,
,,,JCK:A:301,valid,Kd,=,0.027,uM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5,
,,6QQS,,,,,,,
,,,JCZ:A:301,valid,Kd,=,110,uM,c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N,
,,,JCZ:B:301,valid,Kd,=,110,uM,c1cc(cc2c1cc[nH]2)c3cc([nH]n3)N,
,,6QQZ,,,,,,,
,,,JEB:B:301,valid,Kd,=,0.18,uM,c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,JEB:A:301,valid,Kd,=,0.18,uM,c1cc(cnc1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QO4,,,,,,,
,,,97T:A:301,valid,,,,,c1ccc(c(c1)c2ccno2)O,
,,,97T:B:301,valid,,,,,c1ccc(c(c1)c2ccno2)O,
,,6QQW,,,,,,,
,,,JDQ:B:301,valid,Kd,=,19,uM,c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,,JDQ:A:301,valid,Kd,=,19,uM,c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QQT,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JCH:B:301,valid,Kd,=,59,uM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,,JCH:A:301,valid,Kd,=,59,uM,COc1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,6QQQ,,,,,,,
,,,JDE:A:301,valid,Kd,=,6.7,uM,COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3,
,,,JDE:B:302,valid,Kd,=,6.7,uM,COc1cc(cc(c1)c2cccnc2)COC(=O)c3c[nH]nc3,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOC,,,,,,,
,,,J9Q:A:301,valid,,,,,c1ccc(c(c1)c2cnco2)N,
,,,J9Q:B:301,valid,,,,,c1ccc(c(c1)c2cnco2)N,
,,6NW6,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QO3,,,,,,,
,,,J9N:A:301,valid,,,,,c1cc(sc1)C2=NN=C(C2)N,
,,,J9N:B:301,valid,,,,,c1cc(sc1)C2=NN=C(C2)N,
,,6QR7,,,,,,,
,,,JEK:B:301,valid,Kd,=,70,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5,
,,,JEK:A:301,valid,Kd,=,70,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCCC5,
,,6QOT,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,6SD:A:301,valid,Kd,=,0.17,mM,COc1ccc(cc1)c2cc([nH]n2)N,
,,,6SD:B:301,valid,Kd,=,0.17,mM,COc1ccc(cc1)c2cc([nH]n2)N,
,,6QR0,,,,,,,
,,,JFB:B:301,valid,Kd,=,0.12,uM,c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N,
,,,JFB:A:301,valid,Kd,=,0.12,uM,c1cc(cc2c1ccn2Cc3ccncc3)c4c(c([nH]n4)N)C#N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QR9,,,,,,,
,,,JEE:B:301,valid,Kd,=,190,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5,
,,,JEE:A:301,valid,Kd,=,190,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5,
,,6QOQ,,,,,,,
,,,JAE:B:301,valid,,,,,c1cc2c(cc1N)scn2,
,,,JAE:A:301,valid,,,,,c1cc2c(cc1N)scn2,
,,6QOD,,,,,,,
,,,FBB:A:301,valid,,,,,c1cc2c(cc1F)sc(n2)N,
,,,FBB:B:301,valid,,,,,c1cc2c(cc1F)sc(n2)N,
,,6QOV,,,,,,,
,,,JAH:A:301,valid,,,,,c1ccc(cc1)c2ccc(cn2)CN,
,,,JAH:B:301,valid,,,,,c1ccc(cc1)c2ccc(cn2)CN,
,,6QR1,,,,,,,
,,,JFT:B:301,valid,Kd,=,8.5,uM,c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl,
,,,JFT:A:301,valid,Kd,=,8.5,uM,c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl,
,,6QOI,,,,,,,
,,,ABV:B:301,valid,,,,,c1ccc2c(c1)nc(s2)N,
,,,ABV:A:301,valid,,,,,c1ccc2c(c1)nc(s2)N,
,,6QRC,,,,,,,
,,,JFE:B:302,valid,Kd,=,13,uM,COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,,JFE:A:301,valid,Kd,=,13,uM,COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOW,,,,,,,
,,,JBZ:B:302,valid,,,,,COc1ccc2c(c1)sc(n2)C(=O)O,
,,,JBZ:A:301,valid,,,,,COc1ccc2c(c1)sc(n2)C(=O)O,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QRE,,,,,,,
,,,JCQ:A:301,valid,Kd,=,14,uM,COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,,JCQ:B:301,valid,Kd,=,14,uM,COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,,JCQ:B:302,valid,Kd,=,14,uM,COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,,JCQ:B:303,valid,Kd,=,14,uM,COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,6QOX,,,,,,,
,,,JA5:B:301,valid,,,,,COC(=O)c1cc2cc(sc2[nH]1)CO,
,,6QOG,,,,,,,
,,,JA8:A:301,valid,,,,,c1cc2c(cc1Br)nc(s2)N,
,,6QR2,,,,,,,
,,,JQB:A:301,valid,Kd,=,3.2,uM,c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,JQB:B:301,valid,Kd,=,3.2,uM,c1cc(c(nc1)O)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QQV,,,,,,,
,,,JEW:A:301,valid,Kd,=,12,uM,c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N,
,,,JEW:B:303,valid,Kd,=,12,uM,c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NW7,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6QRA,,,,,,,
,,,JDK:A:301,valid,Kd,=,710,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5,
,,,JDK:B:301,valid,Kd,=,710,nM,c1cc(ccc1Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)CN5CCCCC5,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOS,,,,,,,
,,,GOJ:B:302,valid,,,,,CCOC(=O)c1c[nH]nc1,
,,,GOJ:A:301,valid,,,,,CCOC(=O)c1c[nH]nc1,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QR8,,,,,,,
,,,JDH:B:301,valid,Kd,=,0.073,uM,CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,,JDH:A:301,valid,Kd,=,0.073,uM,CN1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,6QO6,,,,,,,
,,,5OB:B:301,valid,,,,,COc1ccc2c(c1)[nH]cn2,
,,,5OB:A:301,valid,,,,,COc1ccc2c(c1)[nH]cn2,
,,6QRD,,,,,,,
,,,JEH:A:303,valid,Kd,=,100,nM,CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,,JEH:B:302,valid,Kd,=,100,nM,CC(C)N1CCN(CC1)Cc2ccc(cc2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOH,,,,,,,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6GU:A:301,valid,,,,,c1[nH]c2c(n1)c(nc(n2)N)Cl,
,,,6GU:B:301,valid,,,,,c1[nH]c2c(n1)c(nc(n2)N)Cl,
,,6QOP,,,,,,,
,,,JBQ:B:301,valid,,,,,c1cc2c(c(c1)F)C(NC=N2)O,
,,,JBQ:A:301,valid,,,,,c1cc2c(c(c1)F)C(NC=N2)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QR3,,,,,,,
,,,JE8:A:301,valid,Kd,=,0.36,uM,CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,JE8:B:301,valid,Kd,=,0.36,uM,CN1CCC[C@@H](C1)Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QOL,,,,,,,
,,,JB5:A:301,valid,,,,,c1cc2c(cc1N)nccn2,
,,,JB5:B:301,valid,,,,,c1cc2c(cc1N)nccn2,
,,6QQU,,,,,,,
,,,JF8:A:301,valid,Kd,=,5,uM,c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N,
,,,JF8:B:301,valid,Kd,=,5,uM,c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N,
,,6QOM,,,,,,,
,,,JBE:A:301,valid,,,,,c1cc(c(nc1)N)[N+](=O)[O-],
,,6QRG,,,,,,,
,,,JET:B:302,valid,Kd,=,10,uM,COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,,JET:A:301,valid,Kd,=,10,uM,COC(=O)COc1cccc(c1)COC(=O)c2c[nH]nc2,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QR4,,,,,,,
,,,JD8:A:301,valid,Kd,=,0.59,uM,CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,,JD8:B:301,valid,Kd,=,0.59,uM,CN1CCCC[C@@H]1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N,
,,6QO2,,,,,,,
,,,JAW:B:301,valid,,,,,c1cc2c(cc[nH]2)cc1C(=O)N,
,,,JAW:A:301,valid,,,,,c1cc2c(cc[nH]2)cc1C(=O)N,
,,6QOU,,,,,,,
,,,JB8:B:301,valid,Kd,=,0.26,mM,B(c1ccc2cc[nH]c2c1)(O)O,
,,,JB8:A:301,valid,Kd,=,0.26,mM,B(c1ccc2cc[nH]c2c1)(O)O,
,Family. Representative Entry is ,5HJM,,,,,,,
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,HSL:A:403,valid,,,,,C1COC(=O)[C@H]1N,
,,5HJI,,,,,,,
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,5HJK,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6JOE,,,,,,,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,BWR:A:301,valid,Kd,=,0.091,uM,c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4MCC,,,,,,,
,,,21X:B:301,valid,ic50,=,0.56,uM,c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3,
,,,21X:A:301,valid,ic50,=,0.56,uM,c1cc(ccc1CN)CNC(=O)c2csc3c2C(=O)NC=N3,
,,4MCD,,,,,,,
,,,22L:A:301,valid,ic50,=,4.7,uM,c1ccc(cc1)c2csc3c2C(=O)NC=N3,
,,3AXZ,,,,,,,
,,,ADN:A:401,valid,Kd,=,372,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,1UAK,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4YVH,,,,,,,
,,,SFG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,1UAL,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1UAM,,,,,,,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4YVG,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4MCB,,,,,,,
,,,21W:A:303,valid,ic50,=,1.5,uM,c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4,
,,,21W:B:303,valid,ic50,=,1.5,uM,c1cc(ccc1CNCc2[nH]ccn2)CNC(=O)c3csc4c3C(=O)NC=N4,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5ZHL,,,,,,,
,,,9D0:A:301,valid,Kd,=,0.19,uM,CCCCCCCCNCc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3,
,,5ZHJ,,,,,,,
,,,SAH:A:301,valid,Kd,=,10.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,5ZHK,,,,,,,
,,,9D6:A:301,valid,,,,,CCN(Cc1ccc(cc1)CNC(=O)c2csc3c2C(=O)NC=N3)C4CCCCC4,
,,6JOF,,,,,,,
,,,BWR:A:301,valid,Kd,=,10.4,uM,c1cc(ccc1CNC(=O)c2csc3c2C(=O)NC=N3)CN4CCC(CC4)N,
2.5.1.46,,,,,,,,,
,Family. Representative Entry is ,6PGR,,,,,,,
,,,8XY:A:401,valid,ic50,=,0.062,uM,c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br,
,,,8XY:B:401,valid,ic50,=,0.062,uM,c1cc2c(cc[nH]2)c(c1)NC(=O)c3cc4ccc(cc4s3)Br,
,,6XXI,,,,,,,
,,,EDO:B:1518,invalid,,,,,C(CO)O,
,,,EDO:B:1517,invalid,,,,,C(CO)O,
,,,EDO:A:1118,invalid,,,,,C(CO)O,
,,,EDO:A:1120,invalid,,,,,C(CO)O,
,,,EDO:B:1504,invalid,,,,,C(CO)O,
,,,EDO:B:1516,invalid,,,,,C(CO)O,
,,,EDO:B:1508,invalid,,,,,C(CO)O,
,,,EDO:A:1114,invalid,,,,,C(CO)O,
,,,EDO:B:1515,invalid,,,,,C(CO)O,
,,,EDO:A:1116,invalid,,,,,C(CO)O,
,,,EDO:A:1115,invalid,,,,,C(CO)O,
,,,EDO:B:1501,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1121,invalid,,,,,C(CO)O,
,,,EDO:B:1507,invalid,,,,,C(CO)O,
,,,EDO:A:1117,invalid,,,,,C(CO)O,
,,,EDO:A:1113,invalid,,,,,C(CO)O,
,,,EDO:A:1119,invalid,,,,,C(CO)O,
,,,ACT:A:1112,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1110,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1103,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1513,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1101,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1109,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1514,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1111,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1512,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1503,invalid,,,,,CC(=O)[O-],
,,,MRD:B:1509,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,BME:B:1511,invalid,,,,,C(CS)O,
,,,BME:A:1108,invalid,,,,,C(CS)O,
,,,BME:A:1107,invalid,,,,,C(CS)O,
,,,BME:A:1106,invalid,,,,,C(CS)O,
,,,NAD:B:1510,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1105,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FMT:A:1122,invalid,,,,,C(=O)O,
,,1DHS,,,,,,,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6P4V,,,,,,,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GC7:B:502,valid,ic50,=,0.14,uM,C(CCCN)CCCNC(N)N,
,,,GC7:A:502,valid,ic50,=,0.14,uM,C(CCCN)CCCNC(N)N,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1ROZ,,,,,,,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6XXJ,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:B:413,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:B:414,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,SPD:B:401,valid,,,,,C(CCNCCCN)CN,
,,,SPD:A:401,valid,,,,,C(CCNCCCN)CN,
,,,BME:A:409,invalid,,,,,C(CS)O,
,,,BME:A:411,invalid,,,,,C(CS)O,
,,,BME:A:408,invalid,,,,,C(CS)O,
,,,BME:A:410,invalid,,,,,C(CS)O,
,,,ACT:B:410,invalid,,,,,CC(=O)[O-],
,,,ACT:B:411,invalid,,,,,CC(=O)[O-],
,,,ACT:B:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,OXM:B:409,invalid,,,,,C(=O)(C(=O)O)N,
,,,NAD:B:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PGE:B:415,invalid,,,,,C(COCCOCCO)O,
,,,MRD:B:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,6XXK,,,,,,,
,,,BME:B:414,invalid,,,,,C(CS)O,
,,,BME:A:416,invalid,,,,,C(CS)O,
,,,BME:A:415,invalid,,,,,C(CS)O,
,,,BME:A:414,invalid,,,,,C(CS)O,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:B:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:413,invalid,,,,,CC(=O)[O-],
,,,ACT:B:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:B:411,invalid,,,,,CC(=O)[O-],
,,,ACT:B:413,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:B:412,invalid,,,,,CC(=O)[O-],
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,FMT:B:417,invalid,,,,,C(=O)O,
,,,FMT:B:415,invalid,,,,,C(=O)O,
,,,FMT:A:418,invalid,,,,,C(=O)O,
,,,FMT:A:422,invalid,,,,,C(=O)O,
,,,FMT:A:421,invalid,,,,,C(=O)O,
,,,FMT:B:418,invalid,,,,,C(=O)O,
,,,FMT:B:416,invalid,,,,,C(=O)O,
,,,FMT:A:419,invalid,,,,,C(=O)O,
,,,FMT:A:420,invalid,,,,,C(=O)O,
,,,FMT:A:423,invalid,,,,,C(=O)O,
,,,SPD:A:401,valid,Kd,=,4,uM,C(CCNCCCN)CN,
,,,SPD:B:401,valid,Kd,=,4,uM,C(CCNCCCN)CN,
,,,MRD:B:402,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1RLZ,,,,,,,
,,,NAD:A:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,7CMC,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6XXM,,,,,,,
,,,PUT:A:401,valid,,,,,C(CCN)CN,
,,,PUT:B:402,valid,,,,,C(CCN)CN,
,,,MPD:B:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
3.2.1.184,,,,,,,,,
,Family. Representative Entry is ,5XVS,,,,,,,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,LI:B:401,Part of Protein,,,,,[Li+],
,,,LI:A:401,Part of Protein,,,,,[Li+],
,,,NAG:B:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5ZLT,,,,,,,
,,,UDP:B:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:400,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.2.2,,,,,,,,,
,Family. Representative Entry is ,1BRW,,,,,,,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:B:3002,Part of Protein,,,,,[Ca+2],
,,,MES:A:6002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:6001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,URA:B:5001,valid,,,,,C1=CNC(=O)NC1=O,
1.3.99.2,,,,,,,,,
,Family. Representative Entry is ,1JQI,,,,,,,
,,,CAA:A:400,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:800,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:799,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1BUC,,,,,,,
,,,CAA:A:384,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:384,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,FAD:A:385,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:385,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.4.2.18,,,,,,,,,
,Family. Representative Entry is ,4M0R,,,,,,,
,,,644:A:600,valid,Ki,=,6.2,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O,
,,,644:B:600,valid,Ki,=,6.2,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2C(=O)O)Nc3ccccc3C(=O)O,
,,,IMD:B:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,4OWN,,,,,,,
,,,POP:A:403,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,PRP:B:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,IMD:B:408,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:409,invalid,,,,,c1c[nH+]c[nH]1,
,,,5RG:A:404,valid,,,,,c1cc(c(cc1F)C(=O)O)N,
,,,5RG:B:405,valid,,,,,c1cc(c(cc1F)C(=O)O)N,
,,,5RG:B:404,valid,,,,,c1cc(c(cc1F)C(=O)O)N,
,,,5RG:A:405,valid,,,,,c1cc(c(cc1F)C(=O)O)N,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,4X5C,,,,,,,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4X58,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,MLT:A:401,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,PRP:A:405,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,4OWV,,,,,,,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,BE2:A:401,valid,Ki,=,45,uM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:401,valid,Ki,=,45,uM,c1ccc(c(c1)C(=O)O)N,
,,4X5D,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,BE2:A:401,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:401,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,4N8Q,,,,,,,
,,,FA0:A:601,valid,Ki,=,380,uM,c1cc(c(cc1F)N)C(=O)O,
,,,FA0:B:601,valid,Ki,=,380,uM,c1cc(c(cc1F)N)C(=O)O,
,,4OWS,,,,,,,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,4M0:B:402,valid,,,,,Cc1ccc(c(c1)N)C(=O)O,
,,,4M0:A:402,valid,,,,,Cc1ccc(c(c1)N)C(=O)O,
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4X59,,,,,,,
,,,PRP:A:401,invalid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,IMD:B:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:405,invalid,,,,,c1c[nH+]c[nH]1,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,4N5V,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,FA0:A:405,valid,,,,,c1cc(c(cc1F)N)C(=O)O,
,,,FA0:B:404,valid,,,,,c1cc(c(cc1F)N)C(=O)O,
,,,FA0:B:405,valid,,,,,c1cc(c(cc1F)N)C(=O)O,
,,,FA0:A:404,valid,,,,,c1cc(c(cc1F)N)C(=O)O,
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,4GIU,,,,,,,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,636:A:404,valid,Ki,=,4.7,uM,Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O,
,,,636:B:404,valid,Ki,=,4.7,uM,Cc1ccc(c(c1)Nc2c(cccc2C(=O)O)C)C(=O)O,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4OWM,,,,,,,
,,,3F0:B:404,valid,,,,,c1cc(c(c(c1)F)N)C(=O)O,
,,,3F0:A:404,valid,,,,,c1cc(c(c(c1)F)N)C(=O)O,
,,,PRP:A:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,IMD:B:405,invalid,,,,,c1c[nH+]c[nH]1,
,,4OWU,,,,,,,
,,,5M0:B:404,valid,,,,,Cc1ccc(c(c1)C(=O)O)N,
,,,5M0:A:404,valid,,,,,Cc1ccc(c(c1)C(=O)O)N,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,PRP:A:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,IMD:A:406,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:406,invalid,,,,,c1c[nH+]c[nH]1,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,4OWO,,,,,,,
,,,6F0:B:404,valid,,,,,c1cc(c(c(c1)F)C(=O)O)N,
,,,6F0:A:404,valid,,,,,c1cc(c(c(c1)F)C(=O)O)N,
,,,6F0:A:405,valid,,,,,c1cc(c(c(c1)F)C(=O)O)N,
,,,6F0:B:405,valid,,,,,c1cc(c(c(c1)F)C(=O)O)N,
,,,PRP:A:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,IMD:B:407,invalid,,,,,c1c[nH+]c[nH]1,
,,4X5E,,,,,,,
,,,BE2:A:405,valid,Ki,=,89,uM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:405,valid,Ki,=,89,uM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:404,valid,Ki,=,89,uM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:404,valid,Ki,=,89,uM,c1ccc(c(c1)C(=O)O)N,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,POP:B:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:401,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,4IJ1,,,,,,,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,17C:A:401,valid,Ki,=,4,uM,c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O,
,,,17C:B:401,valid,Ki,=,4,uM,c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O,
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,4N93,,,,,,,
,,,6M1:A:506,valid,,,,,Cc1cccc(c1C(=O)O)N,
,,,6M1:B:405,valid,,,,,Cc1cccc(c1C(=O)O)N,
,,,6M1:B:402,valid,,,,,Cc1cccc(c1C(=O)O)N,
,,,6M1:A:503,valid,,,,,Cc1cccc(c1C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:505,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4OWQ,,,,,,,
,,,3M0:B:403,valid,,,,,Cc1cccc(c1N)C(=O)O,
,,,3M0:A:404,valid,,,,,Cc1cccc(c1N)C(=O)O,
,,,IMD:B:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,PRP:B:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:A:403,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,4X5B,,,,,,,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,4GKM,,,,,,,
,,,683:A:404,valid,Ki,=,6.8,uM,Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O,
,,,683:B:404,valid,Ki,=,6.8,uM,Cc1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,DMS:B:409,invalid,,,,,CS(=O)C,
,,,DMS:B:410,invalid,,,,,CS(=O)C,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3GBR,,,,,,,
,,,GOL:B:348,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:349,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,PEG:B:346,invalid,,,,,C(COCCO)O,
,,,PEG:B:347,invalid,,,,,C(COCCO)O,
,,,PRP:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,2GVQ,,,,,,,
,,,BE2:A:346,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:401,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:402,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:501,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:502,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:601,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:602,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,1ZYK,,,,,,,
,,,BE2:A:802,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:806,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:803,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:805,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:801,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:C:804,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:807,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:D:808,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:C:706,Part of Protein,,,,,[Mg+2],
,,,MG:D:708,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:705,Part of Protein,,,,,[Mg+2],
,,,MG:D:707,Part of Protein,,,,,[Mg+2],
,,,PRP:A:601,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:602,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:C:603,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:D:604,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1ZVW,,,,,,,
,,,BAM:A:5001,invalid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,MG:A:4001,Part of Protein,,,,,[Mg+2],
,,,MG:A:6001,Part of Protein,,,,,[Mg+2],
,,,PRP:A:3966,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1KGZ,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,PRP:A:600,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PRP:B:700,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
1.2.1.24,,,,,,,,,
,Family. Representative Entry is ,2W8Q,,,,,,,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:3001,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2W8R,,,,,,,
,,,ADP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
1.5.1.5,,,,,,,,,
,Family. Representative Entry is ,6V6Y,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1DIG,,,,,,,
,,,ACT:B:4000,invalid,,,,,CC(=O)[O-],
,,,L37:A:3001,valid,Ki,=,431,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O)N,
,,,NAP:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DIA,,,,,,,
,,,L24:A:3001,valid,Ki,=,455,uM,c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1A4I,,,,,,,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6ECP,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,21V:A:402,valid,,,,,c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,21V:A:401,valid,,,,,c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,6ECR,,,,,,,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3NGL,,,,,,,
,,,NAP:A:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4CJX,,,,,,,
,,,GOL:A:1298,invalid,,,,,C(C(CO)O)O,
,,,9L9:B:1298,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N,
,,,9L9:A:1300,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N,
,,,NAP:A:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PEG:A:1299,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6TM3,,,,,,,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,H4M:A:403,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,LI:A:418,Part of Protein,,,,,[Li+],
,,,LI:A:419,Part of Protein,,,,,[Li+],
,,1LUA,,,,,,,
,,,NAP:A:456,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1456,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2456,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6TGE,,,,,,,
,,,NAP:X:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:T:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:V:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:W:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:L:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:S:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:O:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:R:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:N:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:U:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:Q:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:M:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H4M:H:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:B:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:U:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:F:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:G:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:D:301,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:N:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:R:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:C:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:X:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:T:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:E:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:K:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:A:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:M:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:L:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:I:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:V:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:Q:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:O:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:J:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:P:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:W:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:S:302,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,SO4:P:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6TLK,,,,,,,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,FMT:F:407,invalid,,,,,C(=O)O,
,,,FMT:D:402,invalid,,,,,C(=O)O,
,,,FMT:E:404,invalid,,,,,C(=O)O,
,,,FMT:E:407,invalid,,,,,C(=O)O,
,,,FMT:F:406,invalid,,,,,C(=O)O,
,,,FMT:F:408,invalid,,,,,C(=O)O,
,,,FMT:C:404,invalid,,,,,C(=O)O,
,,,FMT:E:405,invalid,,,,,C(=O)O,
,,,FMT:E:403,invalid,,,,,C(=O)O,
,,,FMT:E:406,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,FMT:C:405,invalid,,,,,C(=O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,H4M:B:402,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:A:404,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,MG:F:402,invalid,,,,,[Mg+2],
,,,CL:D:403,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5O22,,,,,,,
,,,C3R:A:301,valid,Kd,=,10,nM,C[C@@H]1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C,
,,,C3R:B:301,valid,Kd,=,10,nM,C[C@@H]1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C,
,,,C3R:D:301,valid,Kd,=,10,nM,C[C@@H]1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C,
,,,C3R:C:301,valid,Kd,=,10,nM,C[C@@H]1CCC[C@@H]([C@H](OC(=O)[C@@H]([C@@H](/C=C1)O)O)/C(=C/[C@@H](C)C(=O)[C@H](C)[C@@H](CC(=O)O)OC)/C)C,
,Family. Representative Entry is ,4B4U,,,,,,,
,,,CL:A:1283,invalid,,,,,[Cl-],
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,CL:A:1285,invalid,,,,,[Cl-],
,,,CL:B:1283,invalid,,,,,[Cl-],
,,,CL:B:1284,invalid,,,,,[Cl-],
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:B:1285,invalid,,,,,C(CO)O,
,,,EDO:B:1286,invalid,,,,,C(CO)O,
,,,EDO:B:1287,invalid,,,,,C(CO)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PEG:A:1288,invalid,,,,,C(COCCO)O,
,,4B4W,,,,,,,
,,,9L9:A:2001,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N,
,,,9L9:B:2001,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)NC2=C(N=C(NC2=O)N)N,
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,GOL:A:1283,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1283,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4B4V,,,,,,,
,,,CL:A:1284,invalid,,,,,[Cl-],
,,,GOL:A:1283,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1283,invalid,,,,,C(C(CO)O)O,
,,,L34:A:2001,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O,
,,,L34:B:2001,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.14.20.1,,,,,,,,,
,Family. Representative Entry is ,1UNB,,,,,,,
,,,AKG:A:1311,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1310,Part of Protein,,,,,[Fe+2],
,,,PN1:A:1312,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)C(=O)O)C,
,,1HJG,,,,,,,
,,,FE2:A:1307,Part of Protein,,,,,[Fe+2],
,,,KIV:A:1308,valid,,,,,CC(C)C(=O)C(=O)O,
,,1UOG,,,,,,,
,,,FE2:A:1312,Part of Protein,,,,,[Fe+2],
,,,P1C:A:1311,valid,,,,,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)N)SC1)C(=O)O,
,,1E5I,,,,,,,
,,,AKG:A:902,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:901,Part of Protein,,,,,[Fe+2],
,,1HJF,,,,,,,
,,,COI:A:1311,valid,,,,,CC(C)CC(=O)C(=O)O,
,,,FE2:A:1310,Part of Protein,,,,,[Fe+2],
,,1UOF,,,,,,,
,,,FE2:A:1311,Part of Protein,,,,,[Fe+2],
,,,PNN:A:1312,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1UOB,,,,,,,
,,,AKG:A:1312,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1310,Part of Protein,,,,,[Fe+2],
,,,PNN:A:1311,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)O)C,
,,1RXG,,,,,,,
,,,AKG:A:313,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:312,Part of Protein,,,,,[Fe+3],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UO9,,,,,,,
,,,FE2:A:312,Part of Protein,,,,,[Fe+2],
,,,SIN:A:313,valid,,,,,C(CC(=O)O)C(=O)O,
3.5.1.99,,,,,,,,,
,Family. Representative Entry is ,3PPM,,,,,,,
,,,1DO:B:603,invalid,,,,,CCCCCCCCCCCCO,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,F:A:603,invalid,,,,,[F-],
,,,F:B:602,invalid,,,,,[F-],
,,,JG1:A:600,valid,Ki,=,0.29,nM,c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3,
,,,JG1:B:600,valid,Ki,=,0.29,nM,c1ccc(cc1)CCCCCCC(=O)c2nnc(o2)c3ccccn3,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,4DO3,,,,,,,
,,,OHO:B:601,invalid,,,,,C1CCC(CC1)NC(=O)O,
,,,OHO:A:601,invalid,,,,,C1CCC(CC1)NC(=O)O,
,,,0LA:B:602,valid,ic50,=,74,uM,C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O,
,,,0LA:A:602,valid,ic50,=,74,uM,C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O,
,,,CL:A:600,invalid,,,,,[Cl-],
,,3K83,,,,,,,
,,,1DO:B:580,invalid,,,,,CCCCCCCCCCCCO,
,,,CL:A:580,invalid,,,,,[Cl-],
,,,F27:A:1,valid,Ki,=,22,nM,c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O,
,,,F27:B:1,valid,Ki,=,22,nM,c1ccc(cc1)c2ccc(cc2)CCC(=O)c3ncc(o3)c4cccc(n4)C(=O)O,
,,3QK5,,,,,,,
,,,EDO:A:580,invalid,,,,,C(CO)O,
,,,EDO:A:581,invalid,,,,,C(CO)O,
,,,EDO:A:582,invalid,,,,,C(CO)O,
,,,EDO:A:584,invalid,,,,,C(CO)O,
,,,EDO:A:585,invalid,,,,,C(CO)O,
,,,EDO:A:586,invalid,,,,,C(CO)O,
,,,EDO:B:580,invalid,,,,,C(CO)O,
,,,EDO:B:581,invalid,,,,,C(CO)O,
,,,EDO:B:582,invalid,,,,,C(CO)O,
,,,EDO:B:583,invalid,,,,,C(CO)O,
,,,EDO:B:584,invalid,,,,,C(CO)O,
,,,EDO:B:585,invalid,,,,,C(CO)O,
,,,EDO:B:586,invalid,,,,,C(CO)O,
,,,EDO:B:587,invalid,,,,,C(CO)O,
,,,EDO:B:588,invalid,,,,,C(CO)O,
,,,GOL:A:583,invalid,,,,,C(C(CO)O)O,
,,,QK5:A:600,valid,ic50,=,0.018,uM,Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5,
,,,QK5:B:600,valid,ic50,=,0.018,uM,Cc1c(c2cccnc2n1CC#N)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5,
,,3QJ9,,,,,,,
,,,EDO:A:580,invalid,,,,,C(CO)O,
,,,EDO:A:581,invalid,,,,,C(CO)O,
,,,EDO:A:583,invalid,,,,,C(CO)O,
,,,EDO:A:584,invalid,,,,,C(CO)O,
,,,EDO:A:585,invalid,,,,,C(CO)O,
,,,EDO:A:586,invalid,,,,,C(CO)O,
,,,EDO:A:587,invalid,,,,,C(CO)O,
,,,EDO:A:588,invalid,,,,,C(CO)O,
,,,EDO:A:590,invalid,,,,,C(CO)O,
,,,EDO:B:580,invalid,,,,,C(CO)O,
,,,EDO:B:581,invalid,,,,,C(CO)O,
,,,EDO:B:583,invalid,,,,,C(CO)O,
,,,EDO:B:584,invalid,,,,,C(CO)O,
,,,EDO:B:585,invalid,,,,,C(CO)O,
,,,EDO:B:586,invalid,,,,,C(CO)O,
,,,EDO:B:587,invalid,,,,,C(CO)O,
,,,EDO:B:588,invalid,,,,,C(CO)O,
,,,EDO:B:589,invalid,,,,,C(CO)O,
,,,EDO:B:590,invalid,,,,,C(CO)O,
,,,EDO:B:591,invalid,,,,,C(CO)O,
,,,EDO:B:592,invalid,,,,,C(CO)O,
,,,GOL:A:582,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:582,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:589,invalid,,,,,C(COCCOCCO)O,
,,,QJ9:A:600,valid,ic50,=,951,nM,CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5,
,,,QJ9:B:600,valid,ic50,=,951,nM,CCN1c2ccccc2N(C1=O)[C@H]3CCCN(C3)c4nccc(n4)c5cc6ccccc6o5,
1.1.1.35,,,,,,,,,
,Family. Representative Entry is ,1E6W,,,,,,,
,,,EST:C:302,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1E3S,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1E3W,,,,,,,
,,,AAE:D:302,valid,,,,,CC(=O)CC(=O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:C:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1ZBQ,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1005,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1006,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1U7T,,,,,,,
,,,NAD:B:502,valid,Ki,=,425,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TDT:A:501,valid,ic50,=,92,nM,c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S,
,,,TDT:C:503,valid,ic50,=,92,nM,c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S,
,,,TDT:D:504,valid,ic50,=,92,nM,c1ccc(cc1)[C@@H](C(=O)N2CCCCCC2)N3C=Nc4c(cn(n4)[C@H]5C=CN(C=C5C(=O)N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)([O-])OP(=O)([O-])OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)[O-])[O-])O)O)C3=S,
,Family. Representative Entry is ,3HAD,,,,,,,
,,,NAD:A:350,valid,Kd,=,85.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,Kd,=,85.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1M75,,,,,,,
,,,CAA:A:351,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:751,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1F17,,,,,,,
,,,NAI:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:750,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2HDH,,,,,,,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1LSJ,,,,,,,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1F12,,,,,,,
,,,3HC:A:351,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,1M76,,,,,,,
,,,CAA:A:351,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:751,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1IL0,,,,,,,
,,,CAA:A:351,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:751,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1F0Y,,,,,,,
,,,CAA:A:351,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:751,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.1.1.128,,,,,,,,,
,Family. Representative Entry is ,5ICE,,,,,,,
,,,K:A:404,invalid,,,,,[K+],
,,,K:A:405,invalid,,,,,[K+],
,,,K:A:403,invalid,,,,,[K+],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,2H4:A:402,valid,,,,,c1cc(c(cc1C[C@H]2c3cc(c(cc3CCN2)O)O)O)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5ICF,,,,,,,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,K:A:403,invalid,,,,,[K+],
,,,K:A:404,invalid,,,,,[K+],
,,,DMS:A:420,invalid,,,,,CS(=O)C,
,,,DMS:A:419,invalid,,,,,CS(=O)C,
,,,SAU:A:402,valid,,,,,C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5ICC,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,K:A:403,invalid,,,,,[K+],
,,,K:A:402,invalid,,,,,[K+],
,,,NA:A:405,invalid,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.5.1.18,,,,,,,,,
,Family. Representative Entry is ,5VO3,,,,,,,
,,,API:A:502,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,SIN:A:501,valid,,,,,C(CC(=O)O)C(=O)O,
1.1.1.10,,,,,,,,,
,Family. Representative Entry is ,3D3W,,,,,,,
,,,CSO:B:138,invalid,,,,,C([C@@H](C(=O)O)N)SO,
,,,NAP:A:245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PO4:B:245,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1PR9,,,,,,,
,,,2HP:A:247,invalid,,,,,OP(=O)(O)[O-],
,,,2HP:B:1247,invalid,,,,,OP(=O)(O)[O-],
,,,K:A:246,invalid,,,,,[K+],
,,,K:B:1246,invalid,,,,,[K+],
,,,NAP:A:245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1WNT,,,,,,,
,,,NAP:A:245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:3245,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.2.1.85,,,,,,,,,
,Family. Representative Entry is ,5OKG,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,BG6:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,IMD:C:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,BGC BG6:E:1,valid,,,,,,
,,,BGC BG6:F:1,valid,,,,,,
,,5OKK,,,,,,,
,,,IMD:A:509,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:510,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:508,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,BGP:A:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BGP:B:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,5OKE,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,BG6:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,IMD:C:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,BGC BG6:E:1,valid,,,,,,
,,,BGC BG6:F:1,valid,,,,,,
,,5OKR,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,BG6:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,5OKQ,,,,,,,
,,,IMD:A:509,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:510,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:508,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,BGP:A:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BGP:B:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,5OKS,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,BG6:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,4PBG,,,,,,,
,,,BGP:A:469,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BGP:B:469,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
4.3.1.24,,,,,,,,,
,Family. Representative Entry is ,4CQ5,,,,,,,
,,,GOL:B:1681,invalid,,,,,C(C(CO)O)O,
,,,TCA:A:1679,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:B:1679,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:B:1680,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:A:1680,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:C:1679,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:D:1679,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:C:1681,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:D:1680,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,EDO:D:1681,invalid,,,,,C(CO)O,
,,3NZ4,,,,,,,
,,,TCA:A:699,valid,,,,,c1ccc(cc1)C=CC(=O)O,
,,,TCA:B:699,valid,,,,,c1ccc(cc1)C=CC(=O)O,
2.1.2.11,,,,,,,,,
,Family. Representative Entry is ,1M3U,,,,,,,
,,,KPL:A:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:B:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:C:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:D:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:E:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:F:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:G:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:H:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:I:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,KPL:J:265,valid,,,,,CC(C)(CO)C(=O)C(=O)O,
,,,MG:A:266,Part of Protein,,,,,[Mg+2],
,,,MG:B:266,Part of Protein,,,,,[Mg+2],
,,,MG:C:266,Part of Protein,,,,,[Mg+2],
,,,MG:D:266,Part of Protein,,,,,[Mg+2],
,,,MG:E:266,Part of Protein,,,,,[Mg+2],
,,,MG:F:266,Part of Protein,,,,,[Mg+2],
,,,MG:G:266,Part of Protein,,,,,[Mg+2],
,,,MG:H:266,Part of Protein,,,,,[Mg+2],
,,,MG:I:266,Part of Protein,,,,,[Mg+2],
,,,MG:J:266,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1O68,,,,,,,
,,,KIV:A:275,valid,,,,,CC(C)C(=O)C(=O)O,
,,,KIV:B:275,valid,,,,,CC(C)C(=O)C(=O)O,
,,,KIV:D:275,valid,,,,,CC(C)C(=O)C(=O)O,
,,,KIV:E:275,valid,,,,,CC(C)C(=O)C(=O)O,
,,,NA:A:274,Part of Protein,,,,,[Na+],
,,,NA:B:274,Part of Protein,,,,,[Na+],
,,,NA:D:274,Part of Protein,,,,,[Na+],
,,,NA:E:274,Part of Protein,,,,,[Na+],
2.8.2.1,,,,,,,,,
,Family. Representative Entry is ,3QVV,,,,,,,
,,,3QV:A:296,valid,Ki,=,38,uM,c1cc2c(cc1O)OC(=O)C(=C2)C#N,
,,,3QV:B:296,valid,Ki,=,38,uM,c1cc2c(cc1O)OC(=O)C(=C2)C#N,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,3QVU,,,,,,,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EDO:A:297,invalid,,,,,C(CO)O,
,,,EDO:B:296,invalid,,,,,C(CO)O,
,,,NPO:A:296,valid,Ki,=,283,uM,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:B:297,valid,Ki,=,283,uM,c1cc(ccc1[N+](=O)[O-])O,
,,2D06,,,,,,,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,EST:A:304,valid,Ki,=,83.2,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:305,valid,Ki,=,83.2,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,3U3R,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NPO:A:300,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:302,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,3U3O,,,,,,,
,,,3QV:A:296,valid,,,,,c1cc2c(cc1O)OC(=O)C(=C2)C#N,
,,,3QV:A:297,valid,,,,,c1cc2c(cc1O)OC(=O)C(=C2)C#N,
,,,A3P:A:298,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,1Z29,,,,,,,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,ACY:A:721,invalid,,,,,CC(=O)O,
,,,CA:A:1010,invalid,,,,,[Ca+2],
,,1Z28,,,,,,,
,,,A3P:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,3U3M,,,,,,,
,,,3QV:A:297,invalid,,,,,c1cc2c(cc1O)OC(=O)C(=C2)C#N,
,,,A3P:A:296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,3U3K,,,,,,,
,,,03V:A:2002,valid,,,,,c1ccc2cc(ccc2c1)O,
,,,03V:B:2002,valid,,,,,c1ccc2cc(ccc2c1)O,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,1LS6,,,,,,,
,,,A3P:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NPO:A:3001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:4001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
6.2.1.-,,,,,,,,,
,Family. Representative Entry is ,5HM3,,,,,,,
,,,PEG:A:707,invalid,,,,,C(COCCO)O,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,649:A:701,valid,ic50,=,6.8,uM,c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,Family. Representative Entry is ,4H2X,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,G5A:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,G5A:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,PNS:C:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3O84,,,,,,,
,,,CA:A:543,Part of Protein,,,,,[Ca+2],
,,,CA:A:544,Part of Protein,,,,,[Ca+2],
,,,CA:A:545,Part of Protein,,,,,[Ca+2],
,,,CA:B:543,Part of Protein,,,,,[Ca+2],
,,,HTJ:A:995,valid,Kd,=,58,nM,c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O,
,,,HTJ:B:995,valid,Kd,=,58,nM,c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O,
,,,MPD:A:546,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:544,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PGE:B:545,invalid,,,,,C(COCCOCCO)O,
,,3O83,,,,,,,
,,,CA:A:543,Part of Protein,,,,,[Ca+2],
,,,CA:A:544,Part of Protein,,,,,[Ca+2],
,,,CA:A:545,Part of Protein,,,,,[Ca+2],
,,,CA:B:543,Part of Protein,,,,,[Ca+2],
,,,CA:B:544,Part of Protein,,,,,[Ca+2],
,,,CA:B:545,Part of Protein,,,,,[Ca+2],
,,,IXN:A:800,valid,,,,,CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N,
,,,IXN:B:800,valid,,,,,CCCCCCCCCCCCc1cn(nn1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COS(=O)(=O)NC(=O)c5ccccc5O)O)O)N,
,,,MPD:A:546,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:546,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,5EY9,,,,,,,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,5SV:B:701,valid,Kd,=,3.87,uM,CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5SV:A:701,valid,Kd,=,3.87,uM,CCCCCCCCCCCCCCCCCCCCOP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4H2V,,,,,,,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AMP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PNS:D:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,H2V:C:101,invalid,,,,,CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CN)O,
,,4H2T,,,,,,,
,,,G5A:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,G5A:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PNS:D:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:C:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4H2U,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,PNS:D:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:C:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,4H2S,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,PNS:C:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:1000,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,AMP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6HE2,,,,,,,
,,,COA:A:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:503,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,AMP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8LE:B:502,valid,,,,,CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,8LE:A:502,valid,,,,,CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,6HDW,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8LE:A:1001,valid,,,,,CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,6HDY,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3HL:A:501,valid,,,,,C[C@@H](CC(=O)O)O,
,,,8LQ:A:502,valid,,,,,C[C@@H](CC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,6HDX,,,,,,,
,,,HIU:A:502,valid,,,,,C[C@H](CO)C(=O)O,
,,,8LH:A:501,valid,,,,,C[C@H](CO)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6HE0,,,,,,,
,,,AMP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8LE:A:1001,valid,,,,,CC(C)(C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,COA:A:1003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4DG8,,,,,,,
,,,AMP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BU3:A:702,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:703,invalid,,,,,C[C@H]([C@@H](C)O)O,
,Family. Representative Entry is ,4FUT,,,,,,,
,,,ATP:A:608,valid,Kd,=,0.31,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,MG:A:607,invalid,,,,,[Mg+2],
,,4GXR,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,CO3:A:608,invalid,,,,,C(=O)([O-])[O-],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4GXQ,,,,,,,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,MG:C:602,invalid,,,,,[Mg+2],
,,,MG:B:602,invalid,,,,,[Mg+2],
,,,CO3:A:603,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:603,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:603,invalid,,,,,C(=O)([O-])[O-],
,Family. Representative Entry is ,4H2W,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,AMP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PNS:C:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,5GP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4H2Y,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PNS:C:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PNS:D:101,invalid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
2.7.1.146,,,,,,,,,
,Family. Representative Entry is ,5OD2,,,,,,,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,5ID:B:502,valid,Ki,=,0.74,mM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:A:502,valid,Ki,=,0.74,mM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:C:502,valid,Ki,=,0.74,mM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3DRW,,,,,,,
,,,AMP:A:1484,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1485,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NA:A:1485,Part of Protein,,,,,[Na+],
,,,NA:A:1486,Part of Protein,,,,,[Na+],
1.5.1.3,,,,,,,,,
,Family. Representative Entry is ,1U70,,,,,,,
,,,MTX:A:187,valid,Ki,=,230,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2FZJ,,,,,,,
,,,DH3:A:188,valid,,,,,COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3K47,,,,,,,
,,,D09:A:188,valid,ic50,=,14.5,uM,C/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3D80,,,,,,,
,,,GOL:A:189,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:190,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:191,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:187,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,Q22:A:188,valid,,,,,c1cc2c(cc1O)C=CC3=CCC=C[C@@H]3N2Cc4cnc5c(n4)c(nc(n5)N)N,
,,3D84,,,,,,,
,,,GOL:X:188,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:189,invalid,,,,,C(C(CO)O)O,
,,,NDP:X:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3K45,,,,,,,
,,,51P:A:188,valid,ic50,=,3.9,uM,C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1U72,,,,,,,
,,,MTX:A:188,valid,Kd,=,0.0034,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4QJC,,,,,,,
,,,IXE:A:202,valid,ic50,=,0.15,uM,CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4QHV,,,,,,,
,,,IXF:A:202,valid,,,,,CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2C2S,,,,,,,
,,,34B:A:1188,valid,ic50,=,0.15,uM,[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C,
,,,34B:B:1188,valid,ic50,=,0.15,uM,[BH]1234[BH]567[BH]189[BH]212[BH]33%10[BH]454[BH]656[BH]787[BH]911[CH]232[BH]4%105C7612Cc1c(nc(nc1N)N)C,
,,,GOL:B:1189,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1U71,,,,,,,
,,,MXA:A:187,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4G95,,,,,,,
,,,OAG:A:201,valid,Ki,=,24.4,nM,c1cc(c(cc1Cl)NCc2cc3c(nc(nc3nc2)N)N)Cl,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OHJ,,,,,,,
,,,COP:A:188,valid,,,,,c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6A7C,,,,,,,
,,,9QO:A:202,valid,Ki,=,22.5,nM,CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3NZD,,,,,,,
,,,D2Q:A:187,valid,,,,,CCOC(=O)CCCCOc1ccc(cc1Cc2cnc3c(c2C)c(nc(n3)N)N)OC,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3GHV,,,,,,,
,,,GHC:A:187,valid,,,,,CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:A:189,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:193,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:194,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:195,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NXV,,,,,,,
,,,D2F:A:187,valid,,,,,CCCC/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PD9,,,,,,,
,,,CO4:A:187,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NXX,,,,,,,
,,,D2D:A:188,valid,Ki,=,11,uM,CC(C)C/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,D2D:A:189,valid,Ki,=,11,uM,CC(C)C/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DHF,,,,,,,
,,,FOL:A:187,valid,Kd,=,0.111,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:187,valid,Kd,=,0.111,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,3F8Y,,,,,,,
,,,DH1:A:187,valid,Ki,=,8.3,nM,COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GYF,,,,,,,
,,,51P:A:187,valid,ic50,=,12.3,nM,C/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VCJ,,,,,,,
,,,NAP:C:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NPX:C:202,valid,Ki,=,0.11,mM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPX:B:202,valid,Ki,=,0.11,mM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPX:D:202,valid,Ki,=,0.11,mM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPX:A:202,valid,Ki,=,0.11,mM,C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,LG3:D:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:C:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:A:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:B:201,valid,,,,,c1cnc(nc1N)N,
,,,FOL:A:204,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:204,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:D:204,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:C:204,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,4KFJ,,,,,,,
,,,MG:B:206,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,1R0:A:202,valid,ic50,=,60,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(cc(c2)OC)c3cccc4c3ccnc4,
,,,EOH:A:205,invalid,,,,,CCO,
,,,FOL:B:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,3S7A,,,,,,,
,,,684:A:192,valid,,,,,c1ccc2c(c1)C=Cc3cc(ccc3N2Cc4cnc5c(n4)c(nc(n5)N)N)OCCCC(=O)O,
,,,SO4:A:187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4M6K,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,4KAK,,,,,,,
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:207,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,EOH:B:203,invalid,,,,,CCO,
,,,EOH:A:205,invalid,,,,,CCO,
,,,EOH:A:204,invalid,,,,,CCO,
,,,EOH:A:203,invalid,,,,,CCO,
,,,EOH:B:204,invalid,,,,,CCO,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,06U:A:202,valid,ic50,=,1300,nM,CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3,
,,,06U:B:202,valid,ic50,=,1300,nM,CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccncc3,
,,1MVT,,,,,,,
,,,DTM:A:187,valid,,,,,CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DRF,,,,,,,
,,,FOL:A:187,valid,Kd,=,0.111,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PD8,,,,,,,
,,,CO4:A:301,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)C[N@@](C)c3cc(c(c(c3)OC)OC)OC,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1S3V,,,,,,,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQD:A:187,valid,,,,,CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC,
,,3NXT,,,,,,,
,,,D2E:A:188,valid,,,,,COc1ccccc1/C(=C/c2coc3c2c(nc(n3)N)N)/C4CC4,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NU0,,,,,,,
,,,3TU:A:188,valid,ic50,=,0.1,uM,c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KEB,,,,,,,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,1QZ:A:202,valid,ic50,=,45,nM,CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3cccc4c3ccnc4,
,,,FOL:B:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,1BOZ,,,,,,,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PRD:A:400,valid,ic50,=,8500,nM,C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N)N,
,,1DLR,,,,,,,
,,,MXA:A:188,valid,Ki,=,16.4,nM,Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3GHW,,,,,,,
,,,GHW:A:187,valid,Kd,=,0.02,uM,Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HFR,,,,,,,
,,,MOT:A:188,valid,Ki,=,790,nM,C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4M6J,,,,,,,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3F91,,,,,,,
,,,DH1:A:187,valid,,,,,COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NXO,,,,,,,
,,,D2B:A:187,valid,Ki,=,0.83,uM,CC(C)/C(=C/c1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DDR,,,,,,,
,,,MMV:A:202,valid,Ki,=,2841,nM,CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3NXY,,,,,,,
,,,D2H:A:188,valid,,,,,CC[C@@H](C)/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F8Z,,,,,,,
,,,DH1:A:187,valid,Ki,=,66,nM,COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:193,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3S3V,,,,,,,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TOP:A:187,valid,Ki,=,593,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:A:193,valid,Ki,=,593,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,4M6L,,,,,,,
,,,DTT:A:203,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,21V:A:201,valid,,,,,c1cc(ccc1CC[C@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DLS,,,,,,,
,,,MTX:A:188,valid,Ki,=,10.9,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1KMV,,,,,,,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,LII:A:201,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)C=C/c3cc(ccc3OC)OC,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MVS,,,,,,,
,,,DTM:A:187,valid,,,,,CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KBN,,,,,,,
,,,MG:B:209,invalid,,,,,[Mg+2],
,,,MG:B:210,Part of Protein,,,,,[Mg+2],
,,,MG:B:215,invalid,,,,,[Mg+2],
,,,MG:B:213,invalid,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:212,Part of Protein,,,,,[Mg+2],
,,,MG:A:211,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,EOH:A:202,invalid,,,,,CCO,
,,,EOH:B:203,invalid,,,,,CCO,
,,,EOH:B:204,invalid,,,,,CCO,
,,,25U:A:201,valid,ic50,=,330,nM,CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3,
,,,25U:B:202,valid,ic50,=,330,nM,CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3,
,,,NDP:B:214,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:210,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NH4:B:211,invalid,,,,,[NH4+],
,,,SR:B:201,invalid,,,,,[Sr+2],
,,3NXR,,,,,,,
,,,D2D:A:192,valid,Ki,=,11,uM,CC(C)C/C(=Cc1coc2c1c(nc(n2)N)N)/c3ccccc3OC,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1S3W,,,,,,,
,,,NAP:A:187,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TQT:A:188,valid,,,,,C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N,
,,3NTZ,,,,,,,
,,,3TZ:A:187,valid,ic50,=,0.09,uM,c1cc(c2c(c1)sc3c2C(=O)NC(=N3)N)CNc4ccc(cc4)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:193,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GHC,,,,,,,
,,,GHC:A:187,valid,,,,,CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HFP,,,,,,,
,,,MOT:A:188,valid,Ki,=,1036,nM,C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6A7E,,,,,,,
,,,9QR:A:201,valid,Ki,=,18.1,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2C2T,,,,,,,
,,,39B:A:1188,valid,ic50,=,15,uM,[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C,
,,,39B:B:1188,valid,ic50,=,15,uM,[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@H]54)Cc1c(nc(nc1N)N)C,
,,,39E:A:1189,valid,ic50,=,15,uM,[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C,
,,,39E:B:1189,valid,ic50,=,15,uM,[H]1[BH]2[BH]345[BH]267[BH]18[BH]691[BH]732[BH]434[BH]292[CH]18C23([B@@H]54)Cc1c(nc(nc1N)N)C,
,,,GOL:B:1190,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3GI2,,,,,,,
,,,GHW:A:187,valid,,,,,Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2DHF,,,,,,,
,,,DZF:A:187,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,DZF:B:187,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,1OHK,,,,,,,
,,,COP:A:188,invalid,,,,,c1ccc(c(c1)C(=O)NCCC[C@@H](C(=O)O)NC(=O)c2ccc(cc2)NCc3cnc4c(n3)c(nc(n4)N)N)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1HFQ,,,,,,,
,,,MOT:A:188,valid,Ki,=,2.7,nM,C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:187,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1S3U,,,,,,,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TQD:A:187,valid,,,,,CN(CC1CCC2=C(C1)C(=N[C@@H](N2)N)N)c3cc(c(c(c3)OC)OC)OC,
,,3N0H,,,,,,,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TOP:A:187,valid,Ki,=,617,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:A:191,valid,Ki,=,617,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3EIG,,,,,,,
,,,CD:A:209,invalid,,,,,[Cd+2],
,,,MTX:A:200,valid,Ki,=,21,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KMS,,,,,,,
,,,LIH:A:201,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)CNc3cccc4c3cccn4,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FS6,,,,,,,
,,,DH1:A:187,valid,Ki,=,230,nM,COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O,
,,,NDP:A:188,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2DRC,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,Kd,=,0.13,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:161,valid,Kd,=,0.13,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,6CW7,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:208,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,THG:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,4QLG,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4RGC,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5UIP,,,,,,,
,,,LG3:B:202,valid,,,,,c1cnc(nc1N)N,
,,,LG3:A:202,valid,,,,,c1cnc(nc1N)N,
,,,8DM:B:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,8DM:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,NA:B:204,invalid,,,,,[Na+],
,,,NA:A:204,invalid,,,,,[Na+],
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z6J,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RB2,,,,,,,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RA9,,,,,,,
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QYL,,,,,,,
,,,7ME:A:160,valid,Ki,=,1,uM,C[C@H]1CCc2c(nc(nc2N)N)C1,
,,,CA:A:213,Part of Protein,,,,,[Ca+2],
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CL:A:227,invalid,,,,,[Cl-],
,,,NDP:A:161,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1RA1,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RX6,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,DDF:A:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6MTH,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,DHF:A:209,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,THG:A:210,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:A:208,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,1JOM,,,,,,,
,,,CA:A:164,Part of Protein,,,,,[Ca+2],
,,,CL:A:163,invalid,,,,,[Cl-],
,,,EOH:A:171,invalid,,,,,CCO,
,,,EOH:A:173,invalid,,,,,CCO,
,,,EOH:A:174,invalid,,,,,CCO,
,,,FFO:A:161,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,2D0K,,,,,,,
,,,CL:A:1162,invalid,,,,,[Cl-],
,,,CL:B:2162,invalid,,,,,[Cl-],
,,,FOL:A:1161,valid,Kd,=,9.51,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:2161,valid,Kd,=,9.51,uM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,1DRA,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:361,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,6MT8,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,DHF:A:209,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,THG:A:208,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,1RC4,,,,,,,
,,,DDF:A:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z6M,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ANQ,,,,,,,
,,,C1A:A:500,valid,ic50,=,0.075,uM,[H]/N=C(/N/C(=N[H])/SCc1c(cc(c(c1)C)CS/C(=N/[H])/N/C(=N/[H])/N)C)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,NDP:A:164,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4PSY,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4KJJ,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5CCC,,,,,,,
,,,DDF:A:201,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QYO,,,,,,,
,,,CA:A:160,Part of Protein,,,,,[Ca+2],
,,,CA:A:162,Part of Protein,,,,,[Ca+2],
,,,CA:A:163,Part of Protein,,,,,[Ca+2],
,,,CA:A:164,Part of Protein,,,,,[Ca+2],
,,,CA:A:165,Part of Protein,,,,,[Ca+2],
,,,CA:A:166,Part of Protein,,,,,[Ca+2],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:168,Part of Protein,,,,,[Ca+2],
,,,NDP:A:1160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,Q24:A:161,valid,Ki,=,7,uM,c1ccc2c(c1)c(nc(n2)N)N,
,,6DFR,,,,,,,
,,,CA:A:350,invalid,,,,,[Ca+2],
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4P68,,,,,,,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CA:A:206,invalid,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RX1,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1TDR,,,,,,,
,,,CA:B:172,Part of Protein,,,,,[Ca+2],
,,,CL:A:171,invalid,,,,,[Cl-],
,,,CL:B:171,invalid,,,,,[Cl-],
,,,MTX:A:170,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:170,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,TE:A:173,invalid,,,,,[TeH2],
,,,TE:A:174,invalid,,,,,[TeH2],
,,,TE:B:173,invalid,,,,,[TeH2],
,,,TE:B:174,invalid,,,,,[TeH2],
,,3OCH,,,,,,,
,,,2MX:A:160,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCCCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)c4ccc(cc4)N(C)Cc5cnc6c(n5)c(nc(n6)N)N)C(=O)O,
,,,CL:A:364,invalid,,,,,[Cl-],
,,,CL:B:365,invalid,,,,,[Cl-],
,,,CL:B:366,invalid,,,,,[Cl-],
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,MN:B:2,Part of Protein,,,,,[Mn+2],
,,7DFR,,,,,,,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4PSS,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6CXK,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:208,invalid,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,DHF:A:210,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,CL:A:209,invalid,,,,,[Cl-],
,,5UJX,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,IPA:B:202,invalid,,,,,CC(C)O,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,6MR9,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,THG:A:208,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,3R33,,,,,,,
,,,6ME:A:161,valid,Ki,=,0.8,uM,C[C@H]1CCc2c(c(nc(n2)N)N)C1,
,,,CA:A:160,Part of Protein,,,,,[Ca+2],
,,,CA:A:163,Part of Protein,,,,,[Ca+2],
,,,CA:A:164,Part of Protein,,,,,[Ca+2],
,,,CA:A:165,Part of Protein,,,,,[Ca+2],
,,,CA:A:166,Part of Protein,,,,,[Ca+2],
,,,CA:A:167,Part of Protein,,,,,[Ca+2],
,,,CA:A:168,Part of Protein,,,,,[Ca+2],
,,,CA:A:169,Part of Protein,,,,,[Ca+2],
,,,CA:A:170,Part of Protein,,,,,[Ca+2],
,,,CA:A:171,Part of Protein,,,,,[Ca+2],
,,,CA:A:172,Part of Protein,,,,,[Ca+2],
,,,CA:A:173,Part of Protein,,,,,[Ca+2],
,,,CA:A:174,Part of Protein,,,,,[Ca+2],
,,,CA:A:175,Part of Protein,,,,,[Ca+2],
,,,CA:A:178,Part of Protein,,,,,[Ca+2],
,,,CA:A:179,Part of Protein,,,,,[Ca+2],
,,,CA:A:180,Part of Protein,,,,,[Ca+2],
,,,CL:A:162,invalid,,,,,[Cl-],
,,,CL:A:176,invalid,,,,,[Cl-],
,,,CL:A:177,invalid,,,,,[Cl-],
,,,NDP:A:1160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1RB3,,,,,,,
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DHI,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,Kd,=,55,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:361,valid,Kd,=,55,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1DYI,,,,,,,
,,,CA:B:420,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,1RA2,,,,,,,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4DFR,,,,,,,
,,,CA:B:161,Part of Protein,,,,,[Ca+2],
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:162,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4PST,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5UIO,,,,,,,
,,,BME:E:204,invalid,,,,,C(CS)O,
,,,BME:C:204,invalid,,,,,C(CS)O,
,,,BME:D:204,invalid,,,,,C(CS)O,
,,,BME:B:202,invalid,,,,,C(CS)O,
,,,8DM:E:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,8DM:D:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,8DM:C:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,8DM:A:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N,
,,,NAP:D:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,LG3:C:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:A:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:B:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:D:201,valid,,,,,c1cnc(nc1N)N,
,,,LG3:E:201,valid,,,,,c1cnc(nc1N)N,
,,,FMT:C:205,invalid,,,,,C(=O)O,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,3DAU,,,,,,,
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4NX7,,,,,,,
,,,FOL:A:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:204,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,BME:A:203,invalid,,,,,C(CS)O,
,,3QL3,,,,,,,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,MN:A:162,Part of Protein,,,,,[Mn+2],
,,,MN:A:163,Part of Protein,,,,,[Mn+2],
,,,NAP:A:160,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4PTH,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4GH8,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,NDP:A:202,valid,Kd,=,2.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:202,valid,Kd,=,2.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4P3R,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QL0,,,,,,,
,,,FOL:A:160,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NA:A:162,Part of Protein,,,,,[Na+],
,,,NA:A:163,Part of Protein,,,,,[Na+],
,,,NA:A:164,Part of Protein,,,,,[Na+],
,,,NAP:A:161,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4P66,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,invalid,,,,,[Ca+2],
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5W3Q,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5CC9,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,DDF:A:202,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1DRB,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,EOH:A:900,invalid,,,,,CCO,
,,,EOH:B:918,invalid,,,,,CCO,
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:361,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1RG7,,,,,,,
,,,MTX:A:161,valid,Kd,=,0.7,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1DDS,,,,,,,
,,,CA:B:204,invalid,,,,,[Ca+2],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1DRH,,,,,,,
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6CYV,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,DHF:A:202,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,4QLF,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RH3,,,,,,,
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RA8,,,,,,,
,,,ATR:A:164,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,1DHJ,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,Kd,=,281,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:361,valid,Kd,=,281,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4PTJ,,,,,,,
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RX3,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5UIH,,,,,,,
,,,8CV:A:201,valid,Kd,=,0.188,mM,[H]/N=C(/N)N/C(=N/[H])/NCCc1ccccc1,
,,,BME:A:204,invalid,,,,,C(CS)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,NA:A:202,invalid,,,,,[Na+],
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z6F,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DYH,,,,,,,
,,,CA:B:420,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,DZF:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,,DZF:B:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cc3c(nc2)NC(=NC3=O)N,
,,1RX9,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,NAP:A:164,valid,Kd,=,24,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3DRC,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,MTX:A:161,valid,Kd,=,0.7,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:361,valid,Kd,=,0.7,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,1DDR,,,,,,,
,,,CA:B:203,invalid,,,,,[Ca+2],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,MTX:A:200,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:200,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,URE:A:211,invalid,,,,,C(=O)(N)N,
,,,URE:A:212,invalid,,,,,C(=O)(N)N,
,,,URE:A:213,invalid,,,,,C(=O)(N)N,
,,,URE:B:214,invalid,,,,,C(=O)(N)N,
,,,URE:B:215,invalid,,,,,C(=O)(N)N,
,,1JOL,,,,,,,
,,,CA:B:620,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,FFO:A:161,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,FFO:B:361,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,6CQA,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PQD:A:203,valid,,,,,c1cc(cc(c1)N)Cn2ccc3c2ccc4c3c(nc(n4)N)N,
,,1RX4,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,DDF:A:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RA3,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,MTX:A:161,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5Z6L,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4P3Q,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,invalid,,,,,[Ca+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:204,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4KJK,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,invalid,,,,,[Ca+2],
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:204,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RF7,,,,,,,
,,,CL:A:299,invalid,,,,,[Cl-],
,,,DHF:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:A:163,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,1RX5,,,,,,,
,,,DDF:A:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4QLE,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RX2,,,,,,,
,,,BME:A:162,invalid,,,,,C(CS)O,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,NAP:A:164,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RX7,,,,,,,
,,,FOL:A:161,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,4NX6,,,,,,,
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,BME:A:202,invalid,,,,,C(CS)O,
,,5Z6K,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DYJ,,,,,,,
,,,CA:B:420,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,DDF:A:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,DDF:B:161,valid,,,,,c1cc(ccc1CC[C@@H]2CC3=C(NC2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4KJL,,,,,,,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4LAE,,,,,,,
,,,NAP:X:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,1VM:X:202,valid,Ki,=,0.002,nM,Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N,
,,3FQC,,,,,,,
,,,55V:A:219,valid,ic50,=,0.064,uM,Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC,
,,,55V:B:219,valid,ic50,=,0.064,uM,Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3SQY,,,,,,,
,,,NAP:X:168,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q11:X:169,valid,Ki,=,2.7,nM,COc1ccccc1c2ccc3c(c2)nc(nc3N)N,
,,3FQZ,,,,,,,
,,,11F:A:219,valid,ic50,=,0.17,uM,Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3FRF,,,,,,,
,,,XCF:X:300,valid,Ki,=,0.003,uM,COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3FQO,,,,,,,
,,,N22:A:219,valid,ic50,=,0.67,uM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3SRU,,,,,,,
,,,NAP:X:168,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q26:X:169,valid,Ki,=,0.02,nM,CCOc1ccc(cc1c2ccc3c(c2)nc(nc3N)N)c4cccc(c4)NS(=O)(=O)C,
,,3FY9,,,,,,,
,,,NAP:X:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,XCF:X:300,valid,Ki,=,3.5,nM,COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,6PRD,,,,,,,
,,,OWG:A:403,valid,Ki,=,1,nM,COc1ccc(cc1)[C@H]2c3cc(c(cc3CNN2C(=O)CCc4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)OC)OC,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4LEK,,,,,,,
,,,NAP:X:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,1DN:X:202,valid,Ki,=,0.16,nM,COc1cc2c(cc1OC)n(c(n2)c3nccs3)c4ccc5c(c4)nc(nc5N)N,
,,6PR9,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,OWV:A:202,valid,Ki,=,2.6,nM,CCC(CC)[C@H]1c2ccccc2CNN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,4TU5,,,,,,,
,,,NDP:X:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,06W:X:202,valid,ic50,=,18,nM,CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(cc(c2)OC)c3ccncc3,
,,2W9G,,,,,,,
,,,NDP:A:1160,valid,Kd,=,8.1,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TOP:A:1159,valid,Kd,=,0.97,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3SRQ,,,,,,,
,,,NAP:X:168,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q19:X:169,valid,Ki,=,0.48,nM,Cc1cc2c(cc1c3cccc(c3)C(=O)C)nc(nc2N)N,
,,4LAG,,,,,,,
,,,NAP:X:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,1VN:X:202,valid,Ki,=,0.011,nM,Cc1cc2c(cc1C)n(c(n2)c3nccs3)c4cc5c(cc4Cl)c(nc(n5)N)N,
,,3M08,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,RAR:A:200,valid,Ki,=,2.8,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,3FYW,,,,,,,
,,,XCF:X:300,valid,Ki,=,0.23,nM,COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3FRD,,,,,,,
,,,DHF:X:300,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3F0Q,,,,,,,
,,,52V:X:158,valid,Ki,=,10,nM,Cc1cccc(c1c2cc(cc(c2)OC)[C@H](C)C#Cc3c(nc(nc3N)N)C)C,
,,,NDP:X:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2W9H,,,,,,,
,,,EDO:A:1159,invalid,,,,,C(CO)O,
,,,TOP:A:1160,valid,Kd,=,430,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3FYV,,,,,,,
,,,XCF:X:300,valid,Ki,=,0.22,nM,COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3F0U,,,,,,,
,,,53R:X:158,valid,ic50,=,0.19,uM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3,
,,,NDP:X:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6PR7,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OWP:A:202,valid,Ki,=,1.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3CN2)Cc4ccccc4)Cc5cnc(nc5N)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,3FQ0,,,,,,,
,,,N22:A:219,valid,ic50,=,0.068,uM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3FQF,,,,,,,
,,,55V:A:219,valid,ic50,=,0.75,uM,Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3SRS,,,,,,,
,,,M23:X:168,valid,Ki,=,0.76,nM,CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)Br,
,,,NAP:X:169,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3F0B,,,,,,,
,,,53R:X:158,valid,ic50,=,0.061,uM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3,
,,,NDP:X:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3FRA,,,,,,,
,,,I2H:X:300,valid,Ka,=,76000000,M^-1,COc1cc(c2c(c1OC)O[C@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,,NAP:X:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5ISQ,,,,,,,
,,,GOL:X:203,invalid,,,,,C(C(CO)O)O,
,,,NAP:X:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,U06:X:202,valid,Ki,=,158.3,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,4FGH,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,0U6:A:202,valid,Ki,=,2.9,nM,CCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3[C@H](c4ccccc4C=N3)C=C(C)C,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,6PR6,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,OWS:A:202,valid,Ki,=,1.7,nM,Cc1ccc(cc1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N,
,,3FRB,,,,,,,
,,,NAP:X:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOP:X:300,valid,Ka,=,5800000,M^-1,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3SRR,,,,,,,
,,,NAP:X:169,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q20:X:168,valid,Ki,=,0.24,nM,CCOc1ccc(cc1c2cc3c(cc2C)c(nc(n3)N)N)C=O,
,,5JG0,,,,,,,
,,,UC9:X:201,valid,ic50,=,0.01,uM,CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)C(=O)O,
,,,NAP:X:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3FQV,,,,,,,
,,,11F:A:219,valid,ic50,=,0.77,uM,Cc1c(c(nc(n1)N)N)C#C[C@@H](C)c2ccc(c(c2)OC)c3ccccc3,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6PBO,,,,,,,
,,,XNP:X:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N,
,,,NAP:X:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,O71:X:201,valid,Ki,=,2,nM,CCc1c(c(nc(n1)N)N)C#C[C@@H](C)c2cc(c3c(c2)OCO3)c4ccc(cc4)CC(=O)O,
,,5ISP,,,,,,,
,,,GOL:X:203,invalid,,,,,C(C(CO)O)O,
,,,NAP:X:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,U06:X:202,valid,Ki,=,11.75,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,6PR8,,,,,,,
,,,OWJ:A:301,valid,Ki,=,1.4,nM,Cc1cc(cc(c1)[C@H]2c3ccccc3C=NN2C(=O)/C=C/c4cc(cc(c4OC)OC)Cc5cnc(nc5N)N)C,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6ND2,,,,,,,
,,,GOL:X:201,invalid,,,,,C(C(CO)O)O,
,,,G8J:X:202,valid,,,,,CCc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(ccc2OC)c3ccncc3,
,,,XNP:X:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N,
,,4LAH,,,,,,,
,,,1VO:X:201,valid,Ki,=,0.096,nM,Cc1cc2c(cc1C)n(c(n2)c3cscn3)c4ccc5c(c4)nc(nc5N)N,
,,,NAP:X:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3SRW,,,,,,,
,,,NAP:X:169,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q27:X:168,valid,Ki,=,0.026,nM,CCOc1ccc2ccccc2c1c3cc4c(cc3C)c(nc(n4)N)N,
,,3I8A,,,,,,,
,,,N22:X:219,valid,Ki,=,0.12,uM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:X:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3M09,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,RAR:A:200,valid,Ki,=,0.9,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,4FGG,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,0U5:A:200,valid,Ki,=,4.1,nM,CCCc1c(c(nc(n1)N)N)Cc2cc(c(c(c2)OC)OC)/C=C/C(=O)N3C(c4ccccc4C=N3)C=C(C)C,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6PRA,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6P9Z,,,,,,,
,,,NAP:X:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MTX:X:201,valid,Ki,=,0.71,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:X:203,invalid,,,,,C(C(CO)O)O,
,,3FRE,,,,,,,
,,,TOP:X:300,valid,Ki,=,0.0006,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5IST,,,,,,,
,,,NAP:X:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,U06:X:201,valid,Ki,=,3.89,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,,XNP:X:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@@H]5[C@@H](O4)N6C=C(CC[C@H]6O5)C(=O)N)O)O)OP(=O)(O)O)N,
,,3FY8,,,,,,,
,,,XCF:X:300,valid,Ki,=,0.9,nM,COc1cc(c2c(c1OC)O[C@@H](C=C2)C3CC3)Cc4cnc(nc4N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6PRB,,,,,,,
,,,OWM:A:302,valid,Ki,=,0.7,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N,
,,,R0Y:A:301,valid,Ki,=,0.7,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3cc(c(cc3C=N2)OC)OC)C4CC4)Cc5cnc(nc5N)N,
,,,NAP:A:304,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,3SR5,,,,,,,
,,,NAP:X:168,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,Q12:X:169,valid,Ki,=,0.35,nM,Cc1cc2c(cc1c3ccc(c(c3)OC)OC)nc(nc2N)N,
,Family. Representative Entry is ,2CIG,,,,,,,
,,,1DG:A:200,valid,Ki,=,1,nM,c1cnccc1C(=O)[C@@H]2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)(O)O)O)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VSF,,,,,,,
,,,RKY:B:202,valid,Kd,=,2.7,mM,c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2,
,,,RKY:B:201,valid,Kd,=,2.7,mM,c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2,
,,,RKY:A:201,valid,Kd,=,2.7,mM,c1cc2c(cc1C(=O)CCC(=O)O)OCCCO2,
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,CO:B:203,Part of Protein,,,,,[Co+2],
,,,PO4:B:207,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:204,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6VS6,,,,,,,
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,CO:A:203,Part of Protein,,,,,[Co+2],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RKV:A:204,valid,,,,,Cn1c(cc(n1)c2ccco2)C(=O)O,
,,,RKV:B:202,valid,,,,,Cn1c(cc(n1)c2ccco2)C(=O)O,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6NNE,,,,,,,
,,,NDP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,KUP:B:203,valid,Kd,=,2.2,uM,COc1ccc(cc1OC)Cc2cnc(nc2N)N,
,,,KUP:A:203,valid,Kd,=,2.2,uM,COc1ccc(cc1OC)Cc2cnc(nc2N)N,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VV7,,,,,,,
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,CO:B:202,Part of Protein,,,,,[Co+2],
,,,RPM:A:203,valid,Kd,=,34,uM,Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O,
,,,RPM:B:203,valid,Kd,=,34,uM,Cc1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccccc4)C(=O)O,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6VS9,,,,,,,
,,,CO:A:203,Part of Protein,,,,,[Co+2],
,,,CO:A:204,Part of Protein,,,,,[Co+2],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,RK4:B:201,valid,Kd,=,3.2,mM,c1cc(cc(c1)C(=O)O)CN2CCCCC2,
,,,RK4:A:201,valid,Kd,=,3.2,mM,c1cc(cc(c1)C(=O)O)CN2CCCCC2,
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NNH,,,,,,,
,,,NDP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CO:A:206,Part of Protein,,,,,[Co+2],
,,,CO:B:205,Part of Protein,,,,,[Co+2],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1CY:A:201,valid,,,,,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,1CY:B:201,valid,,,,,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,6VVB,,,,,,,
,,,RQ4:A:201,valid,Kd,=,0.095,mM,Cc1c(cc(c(n1)C(F)(F)F)C(=O)O)c2nc(cs2)c3ccccc3,
,,,NAP:A:203,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P33:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,1DG8,,,,,,,
,,,GOL:A:161,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:162,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:163,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:164,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:165,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6VSE,,,,,,,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4RG:B:203,valid,Kd,=,0.5,mM,c1ccc(cc1)OCc2cccc(c2)C(=O)O,
,,6NND,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CO:B:202,Part of Protein,,,,,[Co+2],
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,CO:A:203,Part of Protein,,,,,[Co+2],
,,,DHF:A:204,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:B:203,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,6NNI,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CP6:B:203,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:A:203,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,MES:A:204,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:204,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1DG5,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TOP:A:201,valid,Ki,=,88,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,6VS5,,,,,,,
,,,9FH:B:202,valid,Kd,=,641,uM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,9FH:B:203,valid,Kd,=,641,uM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,9FH:A:203,valid,Kd,=,641,uM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,9FH:A:202,valid,Kd,=,641,uM,Cc1c(cnn1c2ccccc2)C(=O)O,
,,,NDP:B:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:B:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,6VSG,,,,,,,
,,,NAP:B:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:205,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,X0V:A:203,valid,,,,,c1cc(c(cc1C(F)(F)F)N)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,6VS8,,,,,,,
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RJY:A:204,valid,,,,,CCOC(=O)c1csc(n1)C,
,,,RJY:B:205,valid,,,,,CCOC(=O)c1csc(n1)C,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SOF:B:208,invalid,,,,,CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4,
,,6NNC,,,,,,,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CO:B:202,Part of Protein,,,,,[Co+2],
,,,CO:A:202,Part of Protein,,,,,[Co+2],
,,,LYA:A:203,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,LYA:B:203,valid,,,,,c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VSD,,,,,,,
,,,CO:A:203,Part of Protein,,,,,[Co+2],
,,,CO:B:203,Part of Protein,,,,,[Co+2],
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,JBB:A:201,valid,Kd,=,0.75,mM,c1cc(cc(c1)C(=O)O)CSc2cccs2,
,,,JBB:B:201,valid,Kd,=,0.75,mM,c1cc(cc(c1)C(=O)O)CSc2cccs2,
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VV6,,,,,,,
,,,NAP:B:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RPJ:B:203,valid,Kd,=,192,uM,c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O,
,,,RPJ:A:203,valid,Kd,=,192,uM,c1ccc2c(c1)c(c[nH]2)CCCOc3c(cnn3c4ccc(cc4)F)C(=O)O,
,,1DF7,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MTX:A:501,valid,Ki,=,11,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5JA3,,,,,,,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,U06:A:202,valid,ic50,=,173,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,,U06:C:202,valid,ic50,=,173,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,,U06:B:202,valid,ic50,=,173,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,,U06:D:202,valid,ic50,=,173,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)c3ccc(cc3)C(=O)O,
,,1DG7,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,WRB:A:200,valid,Ki,=,187,nM,CC1(N=C(N=C(N1OCCCOc2ccc(cc2)Br)N)N)C,
,,6VV9,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RQ1:B:304,valid,,,,,c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4,
,,,RQ1:A:202,valid,,,,,c1ccc(cc1)n2c(c(cn2)C(=O)O)OCCCCc3c[nH]c4c3cccc4,
,,,CO:B:301,Part of Protein,,,,,[Co+2],
,,,CO:B:303,Part of Protein,,,,,[Co+2],
,,,NDP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3IX9,,,,,,,
,,,MTX:A:200,valid,Ki,=,3.9,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:200,valid,Ki,=,3.9,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4KM2,,,,,,,
,,,ATR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,TOP:B:202,valid,Kd,=,1.43,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:A:202,valid,Kd,=,1.43,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,4KL9,,,,,,,
,,,P33:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4KNE,,,,,,,
,,,1CY:B:201,valid,Kd,=,1.26,uM,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,1CY:A:201,valid,Kd,=,1.26,uM,CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C,
,,,ATR:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,4KLX,,,,,,,
,,,ATR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ETE:A:202,invalid,,,,,COCCOCCOCCOCCO,
,,4KM0,,,,,,,
,,,ATR:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,CP6:A:201,valid,Kd,=,0.91,uM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:201,valid,Kd,=,0.91,uM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,Family. Representative Entry is ,3DFR,,,,,,,
,,,MTX:A:164,valid,ic50,=,3,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:163,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1AOE,,,,,,,
,,,GW3:A:194,valid,Ki,=,0.22,nM,CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N,
,,,GW3:B:194,valid,Ki,=,0.22,nM,CCC(CC)n1ccc2c1ccc3c2c(nc(n3)N)N,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4H97,,,,,,,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,53S:B:202,valid,ic50,=,22,nM,Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C,
,,,53S:A:202,valid,ic50,=,22,nM,Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,1M79,,,,,,,
,,,MES:A:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MQ1:A:194,valid,ic50,=,320,nM,COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N,
,,,MQ1:B:196,valid,ic50,=,320,nM,COc1ccc(cc1)Oc2cccc3c2c(nc(n3)N)N,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3QLR,,,,,,,
,,,GLY:A:804,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:805,invalid,,,,,C(C(=O)O)N,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,QLR:A:194,valid,ic50,=,45,nM,CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC,
,,,QLR:B:194,valid,ic50,=,45,nM,CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1IA3,,,,,,,
,,,MES:A:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TQ5:A:194,valid,ic50,=,8,nM,CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,,,TQ5:B:196,valid,ic50,=,8,nM,CC(C)(C)c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,,4HOF,,,,,,,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,18H:A:202,valid,ic50,=,20,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3,
,,,18H:B:202,valid,ic50,=,20,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3,
,,,GLY:A:203,invalid,,,,,C(C(=O)O)N,
,,3QLW,,,,,,,
,,,N22:A:194,valid,ic50,=,100,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,N22:B:194,valid,ic50,=,100,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1IA1,,,,,,,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TQ3:A:194,valid,ic50,=,0.034,uM,c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,,,TQ3:B:196,valid,ic50,=,0.034,uM,c1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,,3QLS,,,,,,,
,,,55V:A:194,valid,ic50,=,33,nM,Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC,
,,,55V:B:194,valid,ic50,=,33,nM,Cc1c(c(nc(n1)N)N)C#CC(C)(C)c2cc(c(c(c2)OC)OC)OC,
,,,GLY:A:801,invalid,,,,,C(C(=O)O)N,
,,,GLY:B:805,invalid,,,,,C(C(=O)O)N,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1AI9,,,,,,,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1IA4,,,,,,,
,,,MES:A:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TQ6:A:194,valid,ic50,=,0.13,uM,c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N,
,,,TQ6:B:196,valid,ic50,=,0.13,uM,c1cc2c(c(c1)Sc3ccc(cc3)N4CCOCC4)c(nc(n2)N)N,
,,4HOE,,,,,,,
,,,18G:B:202,valid,ic50,=,36,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC,
,,,18G:A:202,valid,ic50,=,36,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(c(cc2OC)c3ccccc3)OC,
,,,NDP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,GLY:A:203,invalid,,,,,C(C(=O)O)N,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,1M7A,,,,,,,
,,,MQU:A:194,valid,ic50,=,9,nM,COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N,
,,,MQU:B:196,valid,ic50,=,9,nM,COCC(COC)n1ccc2c1ccc3c2c(nc(n3)N)N,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1M78,,,,,,,
,,,CLZ:A:194,valid,ic50,=,52,nM,c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N,
,,,CLZ:B:196,valid,ic50,=,52,nM,c1cc2c(c(c1N)Cl(=O)=O)c(nc(n2)N)N,
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1IA2,,,,,,,
,,,MES:A:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TQ4:A:194,valid,ic50,=,0.023,uM,Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,,,TQ4:B:196,valid,ic50,=,0.023,uM,Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N,
,Family. Representative Entry is ,3EEL,,,,,,,
,,,53T:A:229,valid,ic50,=,0.55,nM,Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C,
,,,53T:B:229,valid,ic50,=,0.55,nM,Cc1cc(cc(c1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3QLZ,,,,,,,
,,,MG:A:230,invalid,,,,,[Mg+2],
,,,MG:A:231,invalid,,,,,[Mg+2],
,,,MG:B:230,invalid,,,,,[Mg+2],
,,,QLZ:A:229,valid,ic50,=,15,nM,CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,QLZ:B:229,valid,ic50,=,15,nM,CCCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3EEK,,,,,,,
,,,53S:A:229,valid,ic50,=,0.61,nM,Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C,
,,,53S:B:229,valid,ic50,=,0.61,nM,Cc1ccc(cc1)c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3CSE,,,,,,,
,,,N22:A:302,valid,ic50,=,8.2,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,N22:B:302,valid,ic50,=,8.2,nM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3QLX,,,,,,,
,,,QLR:A:229,valid,ic50,=,27,nM,CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC,
,,,QLR:B:229,valid,ic50,=,27,nM,CC[C@@H](C#Cc1c(nc(nc1N)N)C)c2cc(c(c(c2)OC)OC)OC,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3EEJ,,,,,,,
,,,53R:A:229,valid,ic50,=,7.3,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3,
,,,53R:B:229,valid,ic50,=,7.3,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2cc(cc(c2)OC)c3ccccc3,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3EEM,,,,,,,
,,,53V:A:229,valid,ic50,=,5.5,nM,Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C,
,,,53V:B:229,valid,ic50,=,5.5,nM,Cc1cccc(c1c2cc(cc(c2)OC)[C@@H](C)C#Cc3c(nc(nc3N)N)C)C,
,,,NDP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4HOG,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,18H:B:302,valid,ic50,=,5.5,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3,
,,,18H:A:302,valid,ic50,=,5.5,nM,Cc1c(c(nc(n1)N)N)C#C[C@H](C)c2ccc(cc2OC)c3ccccc3,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4EJ1,,,,,,,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FOL:B:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:A:201,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,Family. Representative Entry is ,3IA4,,,,,,,
,,,MTX:A:164,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:164,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:164,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:164,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:163,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:163,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:163,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:163,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1DR1,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,HBI:A:198,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,NAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DR6,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,HBI:A:198,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,MBO:A:201,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,NAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DR3,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,HBI:A:198,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,TAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,1DR4,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,HBI:A:198,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,NAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DR7,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,MBO:A:201,invalid,,,,,c1cc(ccc1C(=O)O)[Hg],
,,,NAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DR2,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,TAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,1DR5,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,NAP:A:191,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,8DFR,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,NDP:A:191,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2P4T,,,,,,,
,,,NAP:A:157,valid,Kd,=,0.027,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2RK2,,,,,,,
,,,MRD:A:500,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:501,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:502,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1VIF,,,,,,,
,,,FOL:A:1,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,6NY0,,,,,,,
,,,PO4:A:104,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:105,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MRD:A:102,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:103,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,LBA:A:101,valid,Ki,=,4,uM,c1cc(ccc1c2[nH]c3ccc(cc3n2)C(=O)O)OC[C@H](COc4ccc(cc4)c5[nH]c6cc(ccc6n5)C(=O)O)O,
,,2RK1,,,,,,,
,,,DHF:A:0,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,MRD:A:500,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:501,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:502,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6NXZ,,,,,,,
,,,PO4:A:104,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,D49:A:101,valid,Ki,=,3.5,uM,c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)O)OCC[C@H](COc4ccc(cc4)c5[nH]c6ccc(cc6n5)C(=O)O)O,
,,,MRD:A:102,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:103,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,4ELG,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:H:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:F:202,Part of Protein,,,,,[Ca+2],
,,,52J:D:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:G:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:E:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:H:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:A:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:B:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:C:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52J:F:201,valid,Ki,=,6.9,nM,CC(C)C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:E:203,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:G:203,invalid,,,,,[Cl-],
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:F:203,invalid,,,,,[Cl-],
,,,CL:H:202,invalid,,,,,[Cl-],
,,,52I:G:204,valid,Ki,=,6.9,nM,CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,52I:B:204,valid,Ki,=,6.9,nM,CC(C)C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,3DAT,,,,,,,
,,,MTX:A:201,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3E0B,,,,,,,
,,,N22:A:208,valid,ic50,=,0.89,uM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,N22:B:208,valid,ic50,=,0.89,uM,CCc1c(c(nc(n1)N)N)C#CCc2cc(ccc2OC)OC,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2QK8,,,,,,,
,,,MTX:A:200,valid,ic50,~,20,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4ELE,,,,,,,
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,31I:G:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:F:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:E:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:A:203,invalid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:H:201,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:B:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:D:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,31I:C:203,valid,Ki,=,13.2,nM,CC(C)[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:G:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:F:202,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:H:203,invalid,,,,,[Cl-],
,,,CL:E:202,invalid,,,,,[Cl-],
,,4ELH,,,,,,,
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:F:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CL:E:203,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:G:203,invalid,,,,,[Cl-],
,,,CL:F:203,invalid,,,,,[Cl-],
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:H:203,invalid,,,,,[Cl-],
,,,53I:E:201,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:C:202,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:B:202,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:G:201,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:A:202,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:F:201,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:H:201,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53I:D:201,valid,Ki,=,8.2,nM,CC(=C[C@@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,,53J:D:204,valid,Ki,=,8.2,nM,CC(=C[C@H]1c2ccccc2C=NN1C(=O)/C=C/c3cc(cc(c3OC)OC)Cc4cnc(nc4N)N)C,
,,3FL8,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,CA:C:300,Part of Protein,,,,,[Ca+2],
,,,CA:D:300,Part of Protein,,,,,[Ca+2],
,,,CA:E:300,Part of Protein,,,,,[Ca+2],
,,,CA:F:300,Part of Protein,,,,,[Ca+2],
,,,CA:G:300,Part of Protein,,,,,[Ca+2],
,,,CA:H:300,Part of Protein,,,,,[Ca+2],
,,,RAR:A:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:B:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:C:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:D:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:E:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:F:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:G:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,,RAR:H:200,valid,ic50,=,54,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,4ELF,,,,,,,
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:203,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,35I:B:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:E:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:A:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:C:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:H:202,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:G:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:D:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,35I:F:203,valid,Ki,=,9.4,nM,COc1cc(cc(c1OC)/C=C/C(=O)N2[C@H](c3ccccc3C=N2)CCC(F)(F)F)Cc4cnc(nc4N)N,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:G:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:F:202,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:H:201,invalid,,,,,[Cl-],
,,,CL:E:202,invalid,,,,,[Cl-],
,,3FL9,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,CA:C:300,Part of Protein,,,,,[Ca+2],
,,,CA:D:300,Part of Protein,,,,,[Ca+2],
,,,CA:E:300,Part of Protein,,,,,[Ca+2],
,,,CA:F:300,Part of Protein,,,,,[Ca+2],
,,,CA:G:300,Part of Protein,,,,,[Ca+2],
,,,CA:H:300,Part of Protein,,,,,[Ca+2],
,,,TOP:A:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:B:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:C:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:D:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:E:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:F:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:G:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:H:200,valid,ic50,=,77.2,mM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,Family. Representative Entry is ,2FZH,,,,,,,
,,,DH1:A:208,valid,ic50,=,0.049,nM,COc1ccc(cc1Cc2cnc(nc2N)N)OCCCCC(=O)O,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1S3Y,,,,,,,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TQT:A:208,valid,ic50,=,210,nM,C1CCC2C(C1)CCN2C[C@H]3CCC4C(C3)C(NC(N4)N)N,
,,4IXG,,,,,,,
,,,IXG:X:302,valid,ic50,=,0.076,uM,CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4CD2,,,,,,,
,,,FOL:A:207,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,3NZC,,,,,,,
,,,D2O:X:207,valid,,,,,Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCc4ccccc4,
,,,GOL:X:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:210,invalid,,,,,C(C(CO)O)O,
,,,PO4:X:208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NZA,,,,,,,
,,,CL:X:209,invalid,,,,,[Cl-],
,,,D2K:X:207,valid,,,,,CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC,
,,,NDP:X:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4G8Z,,,,,,,
,,,NDP:X:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TOP:X:301,valid,Ki,=,227,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3NZ6,,,,,,,
,,,D2J:X:207,valid,ic50,=,1.3,nM,Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3OC)OCCCCCC(=O)O,
,,,NDP:X:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1CD2,,,,,,,
,,,FOL:A:307,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3NZB,,,,,,,
,,,D2N:X:207,valid,ic50,=,35,nM,CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC,
,,,D2N:X:209,valid,ic50,=,35,nM,CCOC(=O)CCCCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC,
,,,NDP:X:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3NZ9,,,,,,,
,,,D2K:X:207,valid,ic50,=,6.5,nM,CCOC(=O)CCCOc1ccc(c(c1)Cc2cnc3c(c2C)c(nc(n3)N)N)OC,
,,,NDP:X:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DYR,,,,,,,
,,,NDP:A:391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TOP:A:407,valid,ic50,=,20,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,3TD8,,,,,,,
,,,D2R:A:302,valid,ic50,=,1.2,nM,Cc1c(cnc2c1c(nc(n2)N)N)Cc3cc(ccc3C#CCCCC(=O)O)OC,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1LY3,,,,,,,
,,,COG:A:307,valid,ic50,=,87,nM,CN(Cc1cc(ccc1OC)OC)c2ccc3c(c2)c(nc(n3)N)N,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3CD2,,,,,,,
,,,MTX:A:307,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1VJ3,,,,,,,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TAB:A:300,valid,ic50,=,0.17,uM,CCc1c(c(nc(n1)N)N)c2ccc(c(c2)N=NN(CCOC(=O)C)Cc3ccccc3)Cl,
,,1E26,,,,,,,
,,,GPB:A:208,valid,,,,,Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1DAJ,,,,,,,
,,,MOT:A:208,valid,Ki,=,6.5,nM,C[N@](Cc1coc2c1c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2FZI,,,,,,,
,,,DH3:A:208,valid,ic50,=,1,nM,COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4IXE,,,,,,,
,,,IXE:D:301,valid,,,,,CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N,
,,,NDP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1KLK,,,,,,,
,,,NDP:A:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PMD:A:653,valid,ic50,=,0.21,uM,c1ccc2c(c1)C=Cc3ccccc3N2Cc4cnc5c(n4)c(nc(n5)N)N,
,,2CD2,,,,,,,
,,,FOL:A:307,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4IXF,,,,,,,
,,,IXF:X:302,valid,,,,,CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N,
,,,NDP:X:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1LY4,,,,,,,
,,,COQ:A:307,valid,ic50,=,76,nM,CN(Cc1cc(cc(c1)OC)OC)c2cc3c(nc(nc3nc2)N)N,
,,,NAP:A:207,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6A2M,,,,,,,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,9QR:A:701,valid,Ki,=,0.35,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC,
,,,9QR:B:701,valid,Ki,=,0.35,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC,
,,3QG2,,,,,,,
,,,CP6:A:609,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:709,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:710,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:A:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:711,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4DP3,,,,,,,
,,,MMV:A:701,valid,Ki,=,0.54,nM,CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O,
,,,MMV:B:701,valid,Ki,=,0.54,nM,CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6KP7,,,,,,,
,,,DQ9:B:703,valid,Ki,=,0.41,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O,
,,,DQ9:A:703,valid,Ki,=,0.41,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCC(=O)O,
,,,UMP:B:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:702,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3QGT,,,,,,,
,,,CP6:A:609,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:609,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:A:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4DPD,,,,,,,
,,,DHF:A:701,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6A2L,,,,,,,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,9QO:A:701,valid,Ki,=,2.32,nM,CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC,
,,,9QO:B:701,valid,Ki,=,2.32,nM,CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC,
,,6A2K,,,,,,,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,9QO:A:701,valid,Ki,=,0.44,nM,CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC,
,,,9QO:B:701,valid,Ki,=,0.44,nM,CCc1c(c(nc(n1)N)N)c2cccc(c2)OCCCOc3c(nc(nc3N)N)CC,
,,6A2N,,,,,,,
,,,9QR:A:701,valid,Ki,=,6.96,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC,
,,,9QR:B:701,valid,Ki,=,6.96,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3c(nc(nc3N)N)CC,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6KP2,,,,,,,
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,DQ3:B:702,valid,Ki,=,1.16,nM,c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl,
,,,DQ3:A:702,valid,Ki,=,1.16,nM,c1ccc(cc1)OCCCc2c(c(nc(n2)N)N)c3cccc(c3)Cl,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,3UM5,,,,,,,
,,,CP6:A:609,valid,Ki,=,0.6,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:709,valid,Ki,=,0.6,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:610,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:710,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:A:611,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:711,invalid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,4DPH,,,,,,,
,,,BME:A:704,invalid,,,,,C(CS)O,
,,,BME:A:705,invalid,,,,,C(CS)O,
,,,BME:A:706,invalid,,,,,C(CS)O,
,,,BME:B:704,invalid,,,,,C(CS)O,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,P65:A:701,valid,Ki,=,5.59,nM,Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl,
,,,P65:B:701,valid,Ki,=,5.59,nM,Cc1c(c(nc(n1)N)N)OCCCOc2cc(c(cc2Cl)Cl)Cl,
,,,PO4:A:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6KPR,,,,,,,
,,,UMP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,DQF:B:703,valid,Ki,=,0.98,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O,
,,,DQF:A:703,valid,Ki,=,0.98,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)CCCOc3cccc(c3)OCCCC(=O)O,
,,6KOT,,,,,,,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DQ0:B:701,valid,Ki,=,4.96,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O,
,,,DQ0:A:701,valid,Ki,=,4.96,nM,c1cc(cc(c1)Cl)c2c(nc(nc2N)N)COc3cccc(c3)OCCCC(=O)O,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6A2O,,,,,,,
,,,9RR:A:701,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC,
,,,9RR:B:701,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)OCCCOc3ccc(cc3)c4c(nc(nc4N)N)CC,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6LHJ,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,UMP:B:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:703,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,EA6:B:701,valid,Ki,=,0.4,nM,CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C,
,,,EA6:A:701,valid,Ki,=,0.4,nM,CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C,
,Family. Representative Entry is ,1J3I,,,,,,,
,,,NDP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:710,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:C:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:711,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,WRA:A:609,valid,Ki,=,0.011,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,,WRA:B:709,valid,Ki,=,0.011,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,1J3K,,,,,,,
,,,NDP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:710,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:C:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:711,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,WRA:A:609,valid,Ki,=,0.037,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,,WRA:B:709,valid,Ki,=,0.037,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,1J3J,,,,,,,
,,,CP6:A:609,valid,Ki,=,9.8,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:709,valid,Ki,=,9.8,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:710,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,UMP:C:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:711,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,6RUM,,,,,,,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,TOP:A:301,valid,,,,,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6RUL,,,,,,,
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,TOP:A:301,valid,,,,,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4D3S,,,,,,,
,,,BOG:F:1000,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:H:1000,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,4M7V,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,RAR:A:200,valid,Ki,=,4.5,nM,CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N,
,,4M7U,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2W9S,,,,,,,
,,,GOL:A:1158,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1158,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1158,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1158,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1159,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1158,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1159,valid,Kd,=,2370,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1159,valid,Kd,=,2370,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1159,valid,Kd,=,2370,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,TOP:A:1160,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:B:1160,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:C:1160,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:D:1158,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:E:1160,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,,TOP:F:1159,valid,Kd,=,730,nM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,Family. Representative Entry is ,4OR7,,,,,,,
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,25U:A:202,valid,ic50,=,23,nM,CCc1c(c(nc(n1)N)N)C#CCc2cccc(c2)c3cncnc3,
,Family. Representative Entry is ,1D1G,,,,,,,
,,,MTX:A:171,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:171,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NDP:A:170,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:170,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2BL9,,,,,,,
,,,CP6:A:1240,valid,Ki,=,0.16,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:1239,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2BLC,,,,,,,
,,,CP7:A:1240,valid,Ki,=,7.3,nM,CCc1c(c(nc(n1)N)N)c2ccccc2,
,,,MES:A:1241,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:1239,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2BLA,,,,,,,
,,,CP6:A:302,valid,Ki,=,50,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4D3F,,,,,,,
,,,NAP:B:1307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4EIL,,,,,,,
,,,CB3:A:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:C:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:G:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:F:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:D:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:B:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:E:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CB3:H:702,valid,,,,,C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,UMP:H:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:G:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:701,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,FOL:E:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:F:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:B:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:H:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:D:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:G:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:C:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:A:703,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NDP:H:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3KJS,,,,,,,
,,,DQ1:A:602,valid,Ki,=,1.3,nM,CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N,
,,,DQ1:B:602,valid,Ki,=,1.3,nM,CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N,
,,,DQ1:C:602,valid,Ki,=,1.3,nM,CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N,
,,,DQ1:D:602,valid,Ki,=,1.3,nM,CCOC(=O)CCCOc1cc(ccc1OC)NCc2ccc3c(c2)c(nc(n3)N)N,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:B:912,invalid,,,,,C(CO)O,
,,,EDO:C:909,invalid,,,,,C(CO)O,
,,,EDO:C:913,invalid,,,,,C(CO)O,
,,,EDO:D:903,invalid,,,,,C(CO)O,
,,,EDO:D:908,invalid,,,,,C(CO)O,
,,,EDO:D:910,invalid,,,,,C(CO)O,
,,,EDO:D:911,invalid,,,,,C(CO)O,
,,,NAP:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2H2Q,,,,,,,
,,,DU:A:611,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,DU:B:612,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,NAP:A:523,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:524,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3RG9,,,,,,,
,,,NDP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,WRA:A:602,valid,Ki,=,1.1,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,,WRA:B:702,valid,Ki,=,1.1,nM,CC1(N=C(N=C(N1OCCCOc2cc(c(cc2Cl)Cl)Cl)N)N)C,
,,3QFX,,,,,,,
,,,CP6:A:602,valid,Ki,=,24.2,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,CP6:B:702,valid,Ki,=,24.2,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)Cl,
,,,NDP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1JUV,,,,,,,
,,,NDP:A:194,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
4.3.99.4,,,,,,,,,
,Family. Representative Entry is ,6VUE,,,,,,,
,,,RP7:A:902,valid,ic50,=,2.9,uM,CN1CC=C[C@@H](C1)O,
,,,RP7:B:902,valid,ic50,=,2.9,uM,CN1CC=C[C@@H](C1)O,
,,,NA:B:901,Part of Protein,,,,,[Na+],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,5FAU,,,,,,,
,,,CHT:C:901,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:901,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:D:901,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:901,valid,,,,,C[N+](C)(C)CCO,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:902,invalid,,,,,C(C(CO)O)O,
,,5FAW,,,,,,,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,CHT:A:908,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:902,valid,,,,,C[N+](C)(C)CCO,
,,,MLI:A:904,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:905,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:901,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:903,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:906,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:902,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5FAY,,,,,,,
,,,MLI:B:902,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:904,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:905,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:903,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:904,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:905,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:903,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:902,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:906,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,NA:B:901,Part of Protein,,,,,[Na+],
,,,CHT:A:908,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:906,valid,,,,,C[N+](C)(C)CCO,
1.1.1.208,,,,,,,,,
,Family. Representative Entry is ,5L53,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
4.1.1.66,,,,,,,,,
,Family. Representative Entry is ,4LAM,,,,,,,
,,,P6G:A:405,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,5CU:B:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,5CU:A:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4HK7,,,,,,,
,,,URA:A:403,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:403,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:402,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:402,valid,,,,,C1=CNC(=O)NC1=O,
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,4LAL,,,,,,,
,,,P6G:C:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:405,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:405,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,5CU:D:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,5CU:A:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,5CU:B:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,5CU:C:402,valid,,,,,C1=C(C(=O)NC(=O)N1)C(=O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4HK6,,,,,,,
,,,5NU:C:402,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,5NU:D:402,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,5NU:A:402,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,5NU:B:402,valid,,,,,C1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
2.4.2.36,,,,,,,,,
,Family. Representative Entry is ,2A5F,,,,,,,
,,,GOL:B:1114,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:230,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:231,Part of Protein,,,,,[Mg+2],
,,,NA:B:1326,Part of Protein,,,,,[Na+],
,,,NAD:B:1536,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2A5D,,,,,,,
,,,GOL:B:1496,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:1230,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1231,Part of Protein,,,,,[Mg+2],
,,,NA:B:326,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5LZH,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:E:203,invalid,,,,,[Ca+2],
,,,TRS:D:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MRD:B:202,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PEG:E:202,invalid,,,,,C(COCCO)O,
,,,7BN:E:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:C:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:D:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,1S5E,,,,,,,
,,,GAL:D:751,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:J:752,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:241,Part of Protein,,,,,[Na+],
,,,NA:B:241,Part of Protein,,,,,[Na+],
,,1S5D,,,,,,,
,,,GAL:D:704,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:705,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:706,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:707,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:708,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:242,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:708,invalid,,,,,C(C(CO)O)O,
,,,NA:A:241,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3B82,,,,,,,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3B8H,,,,,,,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3B78,,,,,,,
,,,NAD:B:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1TOX,,,,,,,
,,,NAD:A:536,valid,Kd,=,10,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:536,valid,Kd,=,10,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1F0L,,,,,,,
,,,APU:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,,,APU:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:B:705,invalid,,,,,[Cl-],
,,,CL:B:706,invalid,,,,,[Cl-],
,,,CL:B:707,invalid,,,,,[Cl-],
,,,CL:B:708,invalid,,,,,[Cl-],
,,,CL:B:709,invalid,,,,,[Cl-],
,,1DDT,,,,,,,
,,,APU:A:950,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,,1MDT,,,,,,,
,,,APU:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,,,APU:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,,4AE1,,,,,,,
,,,NCA:A:1536,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:1536,valid,,,,,c1cc(cnc1)C(=O)N,
,Family. Representative Entry is ,3ESS,,,,,,,
,,,18N:A:1,valid,ic50,=,411,nM,c1cc2cccc3c2c(c1)C(=O)NC3=O,
,,3NY6,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,V30:A:1,valid,,,,,Cc1c(sc2c1C(=O)NC(=N2)SCC(=O)NCCO)C,
,,2Q6M,,,,,,,
,,,P34:A:1001,valid,Kd,=,0.51,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,,P34:A:1002,valid,Kd,=,0.51,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
2.4.1.161,,,,,,,,,
,Family. Representative Entry is ,4B9Z,,,,,,,
,,,EDO:A:1826,invalid,,,,,C(CO)O,
,,,EDO:A:1827,invalid,,,,,C(CO)O,
,,,EDO:A:1828,invalid,,,,,C(CO)O,
,,,EDO:A:1829,invalid,,,,,C(CO)O,
,,,EDO:A:1830,invalid,,,,,C(CO)O,
,,,EDO:A:1831,invalid,,,,,C(CO)O,
,,,EDO:A:1832,invalid,,,,,C(CO)O,
,,,EDO:A:1833,invalid,,,,,C(CO)O,
,,,EDO:A:1834,invalid,,,,,C(CO)O,
,,,EDO:A:1835,invalid,,,,,C(CO)O,
,,,EDO:A:1836,invalid,,,,,C(CO)O,
,,,EDO:A:1837,invalid,,,,,C(CO)O,
,,,EDO:A:1838,invalid,,,,,C(CO)O,
,,,EDO:A:1839,invalid,,,,,C(CO)O,
,,,EDO:A:1840,invalid,,,,,C(CO)O,
,,,OXL:A:1824,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,PEG:A:1825,invalid,,,,,C(COCCO)O,
,,,SO4:A:1819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1822,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1823,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC AC1:B:1,valid,Ki,=,81.4,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,5NPD,,,,,,,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,OXL:A:916,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:908,invalid,,,,,C(COCCOCCOCCO)O,
,,,94B:A:915,valid,,,,,C([C@H]1[C@H]2[C@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O,
,,5NPE,,,,,,,
,,,948:A:910,valid,,,,,C([C@H]1[C@@H]2[C@@H](N2)[C@@H]([C@H]([C@@H]1O)O)O)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,OXL:A:911,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,PG4:A:907,invalid,,,,,C(COCCOCCOCCO)O,
,,5NPC,,,,,,,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,EDO:A:917,invalid,,,,,C(CO)O,
,,,EDO:A:916,invalid,,,,,C(CO)O,
,,,EDO:A:915,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:919,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,EDO:A:918,invalid,,,,,C(CO)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,94E:A:922,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]1OS(=O)(=O)O2)O)O)O)O,
,,,OXL:A:923,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,PG4:A:921,invalid,,,,,C(COCCOCCOCCO)O,
3.4.22.56,,,,,,,,,
,Family. Representative Entry is ,5IBP,,,,,,,
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IAR,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE DTT:B:1,valid,,,,,S(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C)CC(=O)[O-])C)CC(O)C(O)CS,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4EHF,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUL,,,,,,,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:G:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IBR,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:989,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:989,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUB,,,,,,,
,,,AZI:A:305,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUA,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QTX,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IAS,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4QUJ,,,,,,,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4QU0,,,,,,,
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4EHA,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUI,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,DTT:C:401,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:301,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IAE,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5I9T,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,5IAB,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,DTT:A:301,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,4QUD,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QU8,,,,,,,
,,,DTT:F:101,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QU5,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IAG,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:989,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ASP ASP ASP MET:D:-1,valid,,,,,,
,,5IAK,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4EHL,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUE,,,,,,,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:301,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:H:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:J:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,VAL ASP ASP ASP MET:D:178,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C=O)C,
,,,VAL ASP ASP ASP MET:E:178,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C=O)C,
,,,DTT:A:301,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,4EHH,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4EHK,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5I9B,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4EHD,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4EHN,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUH,,,,,,,
,,,DTT:C:304,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MRD:C:301,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:301,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ACE ASP GLU VAL ASP 0QE:I:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:J:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:303,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,GLY VAL ASP ASP ASP:D:177,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(NC(=O)C[NH3+])C(C)C,
,,5IAJ,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4QU9,,,,,,,
,,,AZI:A:306,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:305,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QUG,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,AZI:A:305,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:302,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,5IBC,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:989,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6BFO,,,,,,,
,,,NA:B:302,invalid,,,,,[Na+],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:307,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,AZI:A:205,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:206,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BGQ,,,,,,,
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,AZI:C:202,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:303,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:203,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:205,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:C:204,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:D:302,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ACE ASP GLU VAL ASP 0QE:L:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:K:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BG0,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:G:1,invalid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,AZI:C:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:G:101,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:302,invalid,,,,,[N-]=[N+]=[N-],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,6BDV,,,,,,,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:301,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BGS,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BH9,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:G:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:E:301,Part of Protein,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6BFK,,,,,,,
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:C:301,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:E:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BG4,,,,,,,
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,NA:E:303,Part of Protein,,,,,[Na+],
,,,NA:E:301,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:F:305,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:F:301,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NA:E:302,Part of Protein,,,,,[Na+],
,,,NA:F:302,Part of Protein,,,,,[Na+],
,,,NA:F:303,Part of Protein,,,,,[Na+],
,,,NA:F:304,Part of Protein,,,,,[Na+],
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:D:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,AZI:A:304,invalid,,,,,[N-]=[N+]=[N-],
,,6BFL,,,,,,,
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BGK,,,,,,,
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,NA:B:204,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,AZI:C:301,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:D:302,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:D:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ACE ASP GLU VAL ASP 0QE:H:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,6BFJ,,,,,,,
,,,AZI:A:301,invalid,,,,,[N-]=[N+]=[N-],
,,,ACE ASP GLU VAL ASP 0QE:C:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,Family. Representative Entry is ,3DEK,,,,,,,
,,,RXD:A:300,valid,ic50,=,27,nM,c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O,
,,3PD1,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,2J33,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,3PD0,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,CL:B:7,invalid,,,,,[Cl-],
,,2J30,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,3ITN,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:989,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,4QTY,,,,,,,
,,,AZI:A:302,invalid,,,,,[N-]=[N+]=[N-],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,ACE ASP GLU VAL ASP 0QE:F:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,2J32,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,3PCX,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,3DEH,,,,,,,
,,,RXA:C:300,valid,ic50,=,149,nM,c1ccc2c(c1)C(=O)C(=O)NC2=O,
,,2J31,,,,,,,
,,,ACE ASP GLU VAL ASP 0QE:B:1,valid,,,,,O=C(NC(C(O)C)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-])C(C)C,
3.5.3.18,,,,,,,,,
,Family. Representative Entry is ,2JAJ,,,,,,,
,,,D20:A:500,valid,ic50,<,25,uM,COCCNC(=N)NCCC[C@@H](C(=O)O)N,
,,,D20:B:500,valid,ic50,<,25,uM,COCCNC(=N)NCCC[C@@H](C(=O)O)N,
,,2CI5,,,,,,,
,,,CIT:B:1282,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,HCS:A:1281,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,,HCS:B:1281,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,2C6Z,,,,,,,
,,,CIR:A:1281,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIT:A:1282,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2JAI,,,,,,,
,,,CIR:A:1281,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,Family. Representative Entry is ,6SZP,,,,,,,
,,,M3B:A:300,valid,Ki,=,18,uM,COCCN[C@@H](N)NCCCCN,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,3P8P,,,,,,,
,,,LN6:A:286,valid,Kd,=,28,uM,[H]/N=C(CCCC)/NCCC[C@@H](C(=O)O)N,
,,,LN6:B:286,valid,Kd,=,28,uM,[H]/N=C(CCCC)/NCCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1H70,,,,,,,
,,,CIR:A:500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
2.1.7.127,,,,,,,,,
,Family. Representative Entry is ,1W2D,,,,,,,
,,,4IP:A:1463,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:1463,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,ADP:A:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:1464,Part of Protein,,,,,[Mn+2],
,,,MN:B:1464,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W2C,,,,,,,
,,,ANP:A:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,I3P:A:1463,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:1463,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,MN:A:1464,Part of Protein,,,,,[Mn+2],
,,,MN:B:1464,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
2.3.1.1,,,,,,,,,
,Family. Representative Entry is ,4K30,,,,,,,
,,,NLG:B:600,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:Y:600,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:A:600,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NLG:X:600,valid,,,,,CC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,3D2M,,,,,,,
,,,COA:A:437,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2R8V,,,,,,,
,,,ACO:A:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5YGE,,,,,,,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAD:B:204,invalid,,,,,C[As](=O)(C)O,
,,,CAD:B:203,invalid,,,,,C[As](=O)(C)O,
,,,CAD:A:203,invalid,,,,,C[As](=O)(C)O,
,,,CAD:A:204,invalid,,,,,C[As](=O)(C)O,
,,,GLU:A:202,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:202,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6ADD,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NLQ:A:202,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
,,,NLQ:B:202,valid,,,,,CC(=O)N[C@@H](CCC(=O)N)C(=O)O,
3.4.14.4,,,,,,,,,
,Family. Representative Entry is ,5E2Q,,,,,,,
,,,K:A:802,Part of Protein,,,,,[K+],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,ASP ARG VAL TYR ILE HIS PRO PHE:B:1,valid,Kd,=,1.64,uM,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCCNC(=[NH2+])N)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,5E33,,,,,,,
,,,TYR GLY GLY PHE MET:B:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1ccccc1)C(=O)[O-])C,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,K:A:804,Part of Protein,,,,,[K+],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,5E3A,,,,,,,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,K:A:804,Part of Protein,,,,,[K+],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,TYR GLY GLY PHE LEU:B:1,valid,Kd,=,3.6,uM,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1ccccc1)CC(C)C,
,,5EHH,,,,,,,
,,,TYR PRO PHE PHE NH2:B:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)Cc1ccccc1)Cc1ccccc1,
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,K:A:803,Part of Protein,,,,,[K+],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
2.7.1.175,,,,,,,,,
,Family. Representative Entry is ,4U98,,,,,,,
,,,ACP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,4WZY,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
4.4.1.26,,,,,,,,,
,Family. Representative Entry is ,5B09,,,,,,,
,,,4MX:A:201,valid,,,,,CCCCCc1cc(cc(c1C(=O)O)O)O,
3.2.1.4,,,,,,,,,
,Family. Representative Entry is ,2NLR,,,,,,,
,,,G2F SHG BGC BGC:B:1,valid,,,,,FC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1O.FC1C(O)C(O)C(CO)OC1,
,Family. Representative Entry is ,4YHG,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,3ACH,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,Kd,=,14.3,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ACG,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ACI,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,Kd,=,19.2,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2BOG,,,,,,,
,,,MGL SGC BGC BGC:A:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,2BOD,,,,,,,
,,,MGL SGC BGC BGC:A:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,2BOF,,,,,,,
,,,BGC BGC BGC BGC:A:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6UJF,,,,,,,
,,,BGC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1G9J,,,,,,,
,,,CA:A:1383,Part of Protein,,,,,[Ca+2],
,,,CA:A:1384,Part of Protein,,,,,[Ca+2],
,,,CL:A:1385,invalid,,,,,[Cl-],
,,,SGC BGC SGC BGC SGC BGC SGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(SC3C(O)C(O)C(O)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(SC3C(O)C(O)C(OC4C(O)C(O)C(SC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,1FBO,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,GLO GLC:B:1,valid,,,,,O(C(C(O)C(O)CO)C(O)CO)C1C(O)C(O)C(O)C(CO)O1,
,,1F9O,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,V3P BGC BGC:C:1,valid,,,,,Ic1ccc(SC2C(O)C(O)C(SC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)cc1,
,,,V3P BGC BGC:B:1,valid,,,,,Ic1ccc(SC2C(O)C(O)C(SC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)cc1,
,,1FAE,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1FBW,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1FCE,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,MGL SGC BGC BGC:C:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,MGL SGC BGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,2QNO,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,SGC BGC SGC BGC SGC BGC SGC BGC SGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(SC3C(O)C(O)C(OC4C(O)C(O)C(SC5C(O)C(O)C(O)OC5CO)OC4CO)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(SC3C(O)C(O)C(OC4C(O)C(O)C(S)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,1F9D,,,,,,,
,,,CA:A:2000,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1IA7,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:1332,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1336,invalid,,,,,C(CO)O,
,,,EDO:A:1337,invalid,,,,,C(CO)O,
,,,EDO:A:1338,invalid,,,,,C(CO)O,
,,,NI:A:1334,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1333,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4U5I,,,,,,,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,3II1,,,,,,,
,,,BGC:A:561,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ZN:A:571,Part of Protein,,,,,[Zn+2],
,,,ZN:A:572,Part of Protein,,,,,[Zn+2],
,,,ZN:A:573,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1W3L,,,,,,,
,,,BGC BGC OXZ:B:1,valid,Ki,=,0.52,uM,,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HF6,,,,,,,
,,,ACY:A:502,invalid,,,,,CC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC BGC BGC:B:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,1QI0,,,,,,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3A3H,,,,,,,
,,,GLC BGC BGC:B:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,1E5J,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,MGL SGC SGC GLC:B:1,valid,Ki,=,100,uM,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,8A3H,,,,,,,
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,IDC:A:500,valid,Ki,=,88,uM,c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A3H,,,,,,,
,,,DCB:A:304,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F,
,,1H5V,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:A:309,Part of Protein,,,,,[Ca+2],
,,,CA:A:310,Part of Protein,,,,,[Ca+2],
,,,CA:A:311,Part of Protein,,,,,[Ca+2],
,,,CA:A:312,Part of Protein,,,,,[Ca+2],
,,,CA:A:313,Part of Protein,,,,,[Ca+2],
,,,CA:A:314,Part of Protein,,,,,[Ca+2],
,,,NA:A:315,Part of Protein,,,,,[Na+],
,,,NA:A:316,Part of Protein,,,,,[Na+],
,,,MA3 SGC SGC SSG GLC:B:1,valid,,,,,,
,,1H2J,,,,,,,
,,,DCB:A:1304,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)F,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OCQ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,IFM BGC:A:500,valid,Ki,=,6.5,uM,O(C1C(O)C[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W3K,,,,,,,
,,,BGC OXZ:A:1304,valid,Ki,=,50,uM,O(C1C(CO)ONCC1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1307,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A3H,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1OJJ,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL:F:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,,,NAG:A:1404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1399,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4YZT,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1GU3,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,Ka,=,21000,M^-1,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,3ENG,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,4ENG,,,,,,,
,,,GLC BGC BGC:B:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,1KWF,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:A:406,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,1G0C,,,,,,,
,,,ACY:A:596,invalid,,,,,CC(=O)O,
,,,ACY:A:597,invalid,,,,,CC(=O)O,
,,,ACY:A:598,invalid,,,,,CC(=O)O,
,,,ACY:A:599,invalid,,,,,CC(=O)O,
,,,CD:A:586,invalid,,,,,[Cd+2],
,,,CD:A:587,invalid,,,,,[Cd+2],
,,,CD:A:588,invalid,,,,,[Cd+2],
,,,CD:A:589,invalid,,,,,[Cd+2],
,,,CD:A:590,invalid,,,,,[Cd+2],
,,,CD:A:591,invalid,,,,,[Cd+2],
,,,CD:A:592,invalid,,,,,[Cd+2],
,,,CD:A:593,invalid,,,,,[Cd+2],
,,,CD:A:594,invalid,,,,,[Cd+2],
,,,CD:A:595,invalid,,,,,[Cd+2],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,2WAO,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,FMT:A:1340,invalid,,,,,C(=O)O,
,,,FMT:A:1341,invalid,,,,,C(=O)O,
,,,FMT:A:1342,invalid,,,,,C(=O)O,
,,,FMT:A:1343,invalid,,,,,C(=O)O,
,,,FMT:A:1344,invalid,,,,,C(=O)O,
,,,FMT:A:1345,invalid,,,,,C(=O)O,
,,,FMT:A:1346,invalid,,,,,C(=O)O,
,,,FMT:A:1347,invalid,,,,,C(=O)O,
,,,FMT:A:1348,invalid,,,,,C(=O)O,
,,,FMT:A:1349,invalid,,,,,C(=O)O,
,,,FMT:A:1350,invalid,,,,,C(=O)O,
,,2WAB,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1346,invalid,,,,,[I-],
,,,IOD:A:1347,invalid,,,,,[I-],
,,,IOD:A:1348,invalid,,,,,[I-],
,,,IOD:A:1349,invalid,,,,,[I-],
,,,IOD:A:1350,invalid,,,,,[I-],
,,,IOD:A:1351,invalid,,,,,[I-],
,Family. Representative Entry is ,1TVP,,,,,,,
,,,EPE:A:700,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,4FUS,,,,,,,
,,,ACT:A:810,invalid,,,,,CC(=O)[O-],
,,,ACT:A:811,invalid,,,,,CC(=O)[O-],
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,CA:A:826,Part of Protein,,,,,[Ca+2],
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:820,invalid,,,,,C(CO)O,
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:825,invalid,,,,,C(CO)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,NA:A:827,Part of Protein,,,,,[Na+],
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,,PEG:A:801,invalid,,,,,C(COCCO)O,
,,,PO4:A:808,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:809,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1UU6,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,1UU5,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1UU4,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,1W2U,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JS4,,,,,,,
,,,BGC:B:6015,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:6166,Part of Protein,,,,,[Ca+2],
,,,CA:A:6168,Part of Protein,,,,,[Ca+2],
,,,CA:B:7166,Part of Protein,,,,,[Ca+2],
,,,CA:B:7168,Part of Protein,,,,,[Ca+2],
,,4TF4,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:A:3002,Part of Protein,,,,,[Ca+2],
,,,CA:B:3003,Part of Protein,,,,,[Ca+2],
,,,CA:B:3004,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GLC BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,3TF4,,,,,,,
,,,BGC:A:6005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:6015,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:A:3002,Part of Protein,,,,,[Ca+2],
,,,CA:B:3003,Part of Protein,,,,,[Ca+2],
,,,CA:B:3004,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3RJY,,,,,,,
,,,GLC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2BVD,,,,,,,
,,,ISX:A:1284,valid,Ki,=,1,uM,C1[C@@H]([C@H]([C@@H](CN1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)CO,
,,2VI0,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,MGL SGC:C:1,valid,,,,,SC1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO,
,,2CIP,,,,,,,
,,,BGC ZZ1 BGC:B:1,valid,,,,,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O1)c2,
,Family. Representative Entry is ,3AXX,,,,,,,
,,,PO4:A:460,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:462,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3QHO,,,,,,,
,,,PO4:A:459,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:459,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:460,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:461,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:462,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC BGC BGC BGC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3QHM,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3QHN,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3AYS,,,,,,,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,2JEN,,,,,,,
,,,DIO:A:1262,invalid,,,,,C1COCCO1,
,,,DIO:A:1263,invalid,,,,,C1COCCO1,
,,,GLC GLC BGC XYS BGC XYS:B:1,valid,,,,,,
,,,GLC GLC XYS XYS:A:1273,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(O)O1)C1C(O)C(O)C(O)CO1,
,,,GOL:A:1264,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4Y7E,,,,,,,
,,,CA:B:409,Part of Protein,,,,,[Ca+2],
,,,CA:B:410,Part of Protein,,,,,[Ca+2],
,,,CA:A:418,Part of Protein,,,,,[Ca+2],
,,,CA:A:417,Part of Protein,,,,,[Ca+2],
,,,CA:B:411,invalid,,,,,[Ca+2],
,,,BMA BMA BMA:414:1,valid,,,,,,
,,,BMA BMA BMA:D:1,valid,,,,,,
,,,BMA BMA BMA:D:1,valid,,,,,,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,BMA BMA BMA BMA:A:410,valid,,,,,O=CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1,
,,,BMA BMA BMA BMA BMA BMA BMA:C:1,valid,,,,,,
,Family. Representative Entry is ,5YJ6,,,,,,,
,,,33O:A:801,valid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,1L2A,,,,,,,
,,,BGC BGC:O:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:M:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:K:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:Q:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC BGC BGC:J:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:L:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:R:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:N:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:P:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,1L1Y,,,,,,,
,,,BGC BGC:J:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:L:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:K:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3AMN,,,,,,,
,,,GLC BGC:C:1,valid,,,,,,
,,,GLC BGC:E:1,valid,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3VHN,,,,,,,
,,,BGC BGC:O:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:K:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:M:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:N:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:J:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:L:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:P:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3AMQ,,,,,,,
,,,BGC:A:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC BGC:F:1,valid,,,,,,
,,,GLC BGC:E:1,valid,,,,,,
,,,GLC BGC:G:1,valid,,,,,,
,,,GLC BGC:H:1,valid,,,,,,
,,3AMM,,,,,,,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3AMP,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,3VHP,,,,,,,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,6R3M,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,BGC BGC BGC BGC:B:1,valid,Ka,=,514000,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC BGC BGC BGC:A:209,valid,Ka,=,514000,M^-1,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:207,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3ZQ9,,,,,,,
,,,CA:A:1521,Part of Protein,,,,,[Ca+2],
,,,CL:A:1522,invalid,,,,,[Cl-],
,,,EDO:A:1525,invalid,,,,,C(CO)O,
,,,EDO:A:1526,invalid,,,,,C(CO)O,
,,,EDO:A:1527,invalid,,,,,C(CO)O,
,,,EDO:A:1528,invalid,,,,,C(CO)O,
,,,NOY BGC:A:1519,valid,Ki,=,0.95,uM,O(C1C(O)C(O)[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:1523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1524,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YJQ,,,,,,,
,,,CA:A:1521,Part of Protein,,,,,[Ca+2],
,,,CA:B:1521,Part of Protein,,,,,[Ca+2],
,,,CL:A:1527,invalid,,,,,[Cl-],
,,,CL:B:1525,invalid,,,,,[Cl-],
,,,EDO:A:1522,invalid,,,,,C(CO)O,
,,,EDO:A:1523,invalid,,,,,C(CO)O,
,,,EDO:A:1525,invalid,,,,,C(CO)O,
,,,EDO:A:1526,invalid,,,,,C(CO)O,
,,,EDO:A:1530,invalid,,,,,C(CO)O,
,,,EDO:B:1522,invalid,,,,,C(CO)O,
,,,EDO:B:1524,invalid,,,,,C(CO)O,
,,,EDO:B:1526,invalid,,,,,C(CO)O,
,,,EDO:B:1527,invalid,,,,,C(CO)O,
,,,EDO:B:1529,invalid,,,,,C(CO)O,
,,,PGE:A:1529,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1528,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1528,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC OXZ BGC:C:1,valid,Ki,=,5.2,uM,O(C1C(O)C(O)C(OC2C(CO)ONCC2O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC OXZ BGC:D:1,valid,Ki,=,5.2,uM,O(C1C(O)C(O)C(OC2C(CO)ONCC2O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2YIH,,,,,,,
,,,CA:A:1520,Part of Protein,,,,,[Ca+2],
,,,CL:A:1521,invalid,,,,,[Cl-],
,,,EDO:A:1524,invalid,,,,,C(CO)O,
,,,EDO:A:1525,invalid,,,,,C(CO)O,
,,,EDO:A:1526,invalid,,,,,C(CO)O,
,,,EDO:A:1527,invalid,,,,,C(CO)O,
,,,EDO:A:1528,invalid,,,,,C(CO)O,
,,,EDO:A:1529,invalid,,,,,C(CO)O,
,,,EDO:A:1530,invalid,,,,,C(CO)O,
,,,EDO:A:1531,invalid,,,,,C(CO)O,
,,,EDO:A:1532,invalid,,,,,C(CO)O,
,,,SO4:A:1522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC BGC XYS:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1ECE,,,,,,,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6GL0,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:F:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,2BWA,,,,,,,
,,,GLC BGC:D:1,valid,,,,,,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1228,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1229,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1230,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1228,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1229,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1230,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BWC,,,,,,,
,,,BGC:D:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:B:1003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1234,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1235,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1237,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2OVW,,,,,,,
,,,NAG:A:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:413,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:413,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:413,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:413,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:G:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,4ZZ8,,,,,,,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GCS GCS GCS:C:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])COC2C)OC1CO)C1C([NH3+])C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5GM5,,,,,,,
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:B:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:K:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:J:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,5GM4,,,,,,,
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:N:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:M:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:L:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:K:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4DOE,,,,,,,
,,,EDO:A:535,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:A:532,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:533,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:534,invalid,,,,,C(CO)O,
,,,EDO:A:527,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:529,invalid,,,,,C(CO)O,
,,,EDO:A:531,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:530,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:536,invalid,,,,,C(CO)O,
,,,EDO:A:528,invalid,,,,,C(CO)O,
,,,SO4:A:538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:537,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,DIO:A:501,invalid,,,,,C1COCCO1,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GLC BGC:B:1,valid,,,,,,
,Family. Representative Entry is ,1GA2,,,,,,,
,,,ACY:A:790,invalid,,,,,CC(=O)O,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:780,Part of Protein,,,,,[Ca+2],
,,,CA:A:781,Part of Protein,,,,,[Ca+2],
,,,CA:B:782,Part of Protein,,,,,[Ca+2],
,,,CA:B:783,Part of Protein,,,,,[Ca+2],
,,,GOL:A:786,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:787,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:788,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:789,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:787,invalid,,,,,C(C(CO)O)O,
,,,MG:A:782,Part of Protein,,,,,[Mg+2],
,,,MG:A:783,Part of Protein,,,,,[Mg+2],
,,,MG:A:784,Part of Protein,,,,,[Mg+2],
,,,MG:A:785,Part of Protein,,,,,[Mg+2],
,,,MG:B:784,Part of Protein,,,,,[Mg+2],
,,,MG:B:785,Part of Protein,,,,,[Mg+2],
,,,MG:B:786,Part of Protein,,,,,[Mg+2],
,,1KFG,,,,,,,
,,,CA:A:9015,Part of Protein,,,,,[Ca+2],
,,,CA:A:9017,Part of Protein,,,,,[Ca+2],
,,,CA:B:9014,Part of Protein,,,,,[Ca+2],
,,,CA:B:9016,Part of Protein,,,,,[Ca+2],
,,,GOL:A:5010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5011,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5012,invalid,,,,,C(C(CO)O)O,
,,,MG:A:9019,Part of Protein,,,,,[Mg+2],
,,,MG:A:9020,Part of Protein,,,,,[Mg+2],
,,,MG:A:9022,Part of Protein,,,,,[Mg+2],
,,,MG:B:9021,Part of Protein,,,,,[Mg+2],
,,,MG:B:9023,Part of Protein,,,,,[Mg+2],
,,,NI:B:9018,Part of Protein,,,,,[Ni+2],
,,,TRS:A:5013,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GS1 SGC BGC SGC:C:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(S)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(S)C(CO)O2)C(CO)O1,
,,,GS1 SGC BGC SGC:D:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(S)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(S)C(CO)O2)C(CO)O1,
,,1K72,,,,,,,
,,,CA:A:778,Part of Protein,,,,,[Ca+2],
,,,CA:A:779,Part of Protein,,,,,[Ca+2],
,,,CA:B:615,Part of Protein,,,,,[Ca+2],
,,,CA:B:616,Part of Protein,,,,,[Ca+2],
,,,GLC:A:615,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:783,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:618,invalid,,,,,C(C(CO)O)O,
,,,MG:A:780,Part of Protein,,,,,[Mg+2],
,,,MG:A:781,Part of Protein,,,,,[Mg+2],
,,,MG:A:782,Part of Protein,,,,,[Mg+2],
,,,MG:B:617,Part of Protein,,,,,[Mg+2],
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1J84,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,Ka,=,1200,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:366,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2E0P,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2EJ1,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,2EEX,,,,,,,
,,,CA:A:1701,Part of Protein,,,,,[Ca+2],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:1600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1601,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,2EO7,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1OA7,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1CEN,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3QXQ,,,,,,,
,,,BGC BGC BGC BGC BGC:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,3RX5,,,,,,,
,,,CA:A:538,Part of Protein,,,,,[Ca+2],
,,,G2I:A:604,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)CO,
,,,ZN:A:539,Part of Protein,,,,,[Zn+2],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3RX7,,,,,,,
,,,9MR:A:605,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,,CA:A:538,Part of Protein,,,,,[Ca+2],
,,,G3I:A:604,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)CO,
,,,ZN:A:539,Part of Protein,,,,,[Zn+2],
,,3H3K,,,,,,,
,,,BGC:A:605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:538,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,MPD:A:540,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:541,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:539,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1OJK,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC:C:1,valid,,,,,,
,,,GLC BGC:E:1,valid,,,,,,
,,,GOL:A:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1405,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1404,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1399,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
4.1.1.32,,,,,,,,,
,Family. Representative Entry is ,4R43,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:A:704,invalid,,,,,C(COCCO)O,
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GDP:A:701,valid,Kd,=,9.3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1NHX,,,,,,,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,FTB:A:704,valid,ic50,=,2.11,uM,CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc4F,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,invalid,,,,,[Na+],
,,,PEP:A:703,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,4GMW,,,,,,,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:705,Part of Protein,,,,,[Mn+2],
,,,MN:A:706,invalid,,,,,[Mn+2],
,,,MN:A:707,Part of Protein,,,,,[Mn+2],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEP:A:704,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,4GNO,,,,,,,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,1PE:A:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SPV:A:705,valid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,5FH1,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EPE:A:704,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4GNL,,,,,,,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,MN:A:702,invalid,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,PEP:A:705,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,GDP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4GNP,,,,,,,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:705,Part of Protein,,,,,[Mn+2],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEP:A:703,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,3DT2,,,,,,,
,,,1PE:A:1100,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,OXL:A:800,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,6P5O,,,,,,,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,O2Y:A:703,valid,ic50,=,97,uM,c1cc(c(nc1)C(=O)O)SCC(=O)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,5V9H,,,,,,,
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,GDP:A:706,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:705,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:704,Part of Protein,,,,,[Mn+2],
,,,MN:B:703,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:B:702,Part of Protein,,,,,[Mn+2],
,,,1PE:A:701,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PGA:B:706,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:A:707,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,3MOF,,,,,,,
,,,1PE:A:1200,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1201,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3002,invalid,,,,,C(CO)O,
,,,EDO:A:3003,invalid,,,,,C(CO)O,
,,,EDO:B:3000,invalid,,,,,C(CO)O,
,,,EDO:B:3001,invalid,,,,,C(CO)O,
,,,EDO:B:3002,invalid,,,,,C(CO)O,
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:800,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:1100,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,OXL:A:1000,valid,Ki,=,860,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1200,valid,Ki,=,860,uM,C(=O)(C(=O)[O-])[O-],
,,4GNQ,,,,,,,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,OXL:A:705,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2QF2,,,,,,,
,,,GDP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:623,Part of Protein,,,,,[Mn+2],
,,,MN:A:624,Part of Protein,,,,,[Mn+2],
,,,MN:A:625,Part of Protein,,,,,[Mn+2],
,,,MN:A:626,Part of Protein,,,,,[Mn+2],
,,,MN:B:623,Part of Protein,,,,,[Mn+2],
,,,MN:B:624,Part of Protein,,,,,[Mn+2],
,,,MN:B:626,Part of Protein,,,,,[Mn+2],
,,,NA:A:700,Part of Protein,,,,,[Na+],
,,,NA:B:800,Part of Protein,,,,,[Na+],
,,,OAA:A:701,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:B:801,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,PYR:A:4083,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:4083,valid,,,,,CC(=O)C(=O)O,
,,4GMM,,,,,,,
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:704,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SPV:A:705,valid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,3DT7,,,,,,,
,,,1PE:A:1000,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ETX:A:3430,invalid,,,,,CCOCCO,
,,,ETX:B:3430,invalid,,,,,CCOCCO,
,,,GTP:A:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:1100,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,SPV:A:900,valid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,SPV:B:900,valid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,3DTB,,,,,,,
,,,1PE:A:1000,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1101,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BCT:A:1044,invalid,,,,,C(=O)(O)[O-],
,,,EPE:A:3380,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GDP:A:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:1100,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,PGA:A:900,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:900,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,5FH3,,,,,,,
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,OXL:A:703,valid,Ki,=,970,uM,C(=O)(C(=O)[O-])[O-],
,,4GMU,,,,,,,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:706,Part of Protein,,,,,[Mn+2],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,OXL:A:705,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1KHF,,,,,,,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,invalid,,,,,[Na+],
,,,PEP:A:703,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,4YW8,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,MEE:A:709,invalid,,,,,CS,
,,,1WD:A:708,invalid,,,,,c1cc(c(nc1)C(=O)O)S,
,,,1WD:A:704,valid,,,,,c1cc(c(nc1)C(=O)O)S,
,,,MOH:A:705,invalid,,,,,CO,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,4YWD,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NTM:A:704,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,5FH4,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,SPV:A:705,valid,Ki,=,174,uM,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,2RKD,,,,,,,
,,,3PP:A:703,valid,Ki,=,1.9,mM,C(CP(=O)(O)O)C(=O)O,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,3MOH,,,,,,,
,,,1PE:A:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:A:1200,invalid,,,,,C(CO)O,
,,,GDP:A:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:1100,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,PGA:A:900,valid,Ki,=,1460,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:900,valid,Ki,=,1460,uM,C(C(=O)O)OP(=O)(O)O,
,,2RK8,,,,,,,
,,,FMT:A:3406,invalid,,,,,C(=O)O,
,,,FMT:B:3406,invalid,,,,,C(=O)O,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,NA:A:624,Part of Protein,,,,,[Na+],
,,,NA:B:624,Part of Protein,,,,,[Na+],
,,,PEG:A:5759,invalid,,,,,C(COCCO)O,
,,,PPF:A:3969,valid,Ki,=,230,uM,C(=O)(O)P(=O)(O)O,
,,,PPF:B:3969,valid,Ki,=,230,uM,C(=O)(O)P(=O)(O)O,
,,5V9G,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,OXL:A:704,valid,Ki,=,441,uM,C(=O)(C(=O)[O-])[O-],
,,5FH5,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,PGA:A:704,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,GDP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5V9F,,,,,,,
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SPV:A:705,valid,Ki,=,37,uM,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:706,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,4YW9,,,,,,,
,,,MN:A:705,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,1WD:A:706,valid,Ki,=,45,uM,c1cc(c(nc1)C(=O)O)S,
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,1PE:A:708,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,MOH:A:707,invalid,,,,,CO,
,,3MOE,,,,,,,
,,,1PE:A:1300,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1301,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:A:1400,invalid,,,,,C(CO)O,
,,,EDO:A:1401,invalid,,,,,C(CO)O,
,,,EDO:A:1402,invalid,,,,,C(CO)O,
,,,EDO:A:1403,invalid,,,,,C(CO)O,
,,,GTP:A:1100,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:800,Part of Protein,,,,,[Na+],
,,,SPV:A:1200,valid,Ki,=,50,uM,C(C(=O)C(=O)O)S(=O)(=O)O,
,,2RK7,,,,,,,
,,,MN:A:5576,Part of Protein,,,,,[Mn+2],
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:B:5576,Part of Protein,,,,,[Mn+2],
,,,MN:B:700,Part of Protein,,,,,[Mn+2],
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,,OXL:A:5575,valid,Ki,=,89,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:5575,valid,Ki,=,89,uM,C(=O)(C(=O)[O-])[O-],
,,4GNM,,,,,,,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,OXL:A:706,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2QF1,,,,,,,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,OAA:A:800,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,5FH2,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EPE:A:704,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,2RKA,,,,,,,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:C:700,Part of Protein,,,,,[Mn+2],
,,,MN:C:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:C:702,Part of Protein,,,,,[Na+],
,,,PGA:A:623,valid,Ki,=,1,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:623,valid,Ki,=,1,mM,C(C(=O)O)OP(=O)(O)O,
,,1M51,,,,,,,
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,TSX:A:1001,valid,ic50,=,18.8,uM,CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)CC=C,
,,4GMZ,,,,,,,
,,,GTP:A:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,MN:A:706,Part of Protein,,,,,[Mn+2],
,,,MN:A:704,Part of Protein,,,,,[Mn+2],
,,,SPV:A:705,valid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,4OX2,,,,,,,
,,,MN:B:705,Part of Protein,,,,,[Mn+2],
,,,MN:A:705,Part of Protein,,,,,[Mn+2],
,,,MN:B:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,1PE:B:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SPV:A:704,invalid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,SPV:B:704,invalid,,,,,C(C(=O)C(=O)O)S(=O)(=O)O,
,,,GTP:B:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,ETX:B:708,invalid,,,,,CCOCCO,
,,5FH0,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:704,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,GTP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,EPE:A:705,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5V97,,,,,,,
,,,MN:A:705,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,GTP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,1KHB,,,,,,,
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,GCP:A:704,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,3DT4,,,,,,,
,,,1PE:A:1101,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:800,Part of Protein,,,,,[Mn+2],
,,,MN:C:700,Part of Protein,,,,,[Mn+2],
,,,MN:C:800,Part of Protein,,,,,[Mn+2],
,,,NA:A:1100,Part of Protein,,,,,[Na+],
,,,NA:C:1100,Part of Protein,,,,,[Na+],
,,,OXL:A:1000,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:1000,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,2RKE,,,,,,,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,SAT:A:704,valid,Ki,=,82.5,uM,C(C(=O)O)S(=O)(=O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QEY,,,,,,,
,,,EDO:A:2960,invalid,,,,,C(CO)O,
,,,GTP:A:2696,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:700,Part of Protein,,,,,[Mn+2],
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:703,Part of Protein,,,,,[Mn+2],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,4YWB,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:C:701,Part of Protein,,,,,[Mn+2],
,,,MN:C:702,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,CL:C:706,invalid,,,,,[Cl-],
,,,CL:A:706,invalid,,,,,[Cl-],
,,,1WD:A:705,invalid,,,,,c1cc(c(nc1)C(=O)O)S,
,,,1WD:C:705,invalid,,,,,c1cc(c(nc1)C(=O)O)S,
,,,NA:C:703,Part of Protein,,,,,[Na+],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,OXD:C:704,valid,,,,,C(=O)(C(=O)O)O,
,,,OXD:A:704,valid,,,,,C(=O)(C(=O)O)O,
,Family. Representative Entry is ,2GMV,,,,,,,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:B:701,Part of Protein,,,,,[Mn+2],
,,,PEP:A:702,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:702,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,UN8:A:703,valid,ic50,=,0.63,uM,CCCCN1c2c([nH]c(n2)Cc3ccc(cc3)NS(=O)(=O)c4cn(cn4)C)C(=O)N(C1=O)Cc5ccccc5F,
,,1KHE,,,,,,,
,,,GCP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2FAH,,,,,,,
,,,GDP:A:2000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:3000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:4000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:5000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MLA:A:2001,valid,Ki,>,50,mM,C(C(=O)O)C(=O)O,
,,,MLA:B:3001,valid,Ki,>,50,mM,C(C(=O)O)C(=O)O,
,,,MLA:B:6001,valid,Ki,>,50,mM,C(C(=O)O)C(=O)O,
,,,MLA:C:4003,valid,Ki,>,50,mM,C(C(=O)O)C(=O)O,
,,,MLA:D:5001,valid,Ki,>,50,mM,C(C(=O)O)C(=O)O,
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:A:2003,Part of Protein,,,,,[Mn+2],
,,,MN:B:3002,Part of Protein,,,,,[Mn+2],
,,,MN:B:3003,Part of Protein,,,,,[Mn+2],
,,,MN:C:4001,Part of Protein,,,,,[Mn+2],
,,,MN:C:4002,Part of Protein,,,,,[Mn+2],
,,,MN:D:5002,Part of Protein,,,,,[Mn+2],
,,,MN:D:5003,Part of Protein,,,,,[Mn+2],
,,,TQY FRU:E:1,invalid,,,,,,
,,,TQY FRU:F:1,invalid,,,,,,
,,2QZY,,,,,,,
,,,EPE:A:1002,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MN:A:1101,Part of Protein,,,,,[Mn+2],
,,,MN:B:1201,Part of Protein,,,,,[Mn+2],
,,,PEP:A:1102,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1202,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,TQY FRU:C:1,invalid,,,,,,
3.6.1.13,,,,,,,,,
,Family. Representative Entry is ,5NQR,,,,,,,
,,,958:A:302,valid,ic50,=,70,nM,Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C,
,,,958:A:303,valid,ic50,=,70,nM,Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C,
,,,958:A:301,valid,ic50,=,70,nM,Cc1cccc(c1)c2nnc(o2)Cn3c4c(nc3N(C)C)N(C(=O)N(C4=O)C)C,
,,3AC9,,,,,,,
,,,8GD:A:2,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,8GD:B:1,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MN:B:2,Part of Protein,,,,,[Mn+2],
,,,MN:B:209,Part of Protein,,,,,[Mn+2],
,,3L85,,,,,,,
,,,8OG:A:1,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,8OG:A:2,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,3ACA,,,,,,,
,,,8DD:A:2,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,8DD:B:209,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,MN:A:3,Part of Protein,,,,,[Mn+2],
,,,MN:A:4,Part of Protein,,,,,[Mn+2],
,,,MN:A:5,Part of Protein,,,,,[Mn+2],
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,MN:B:2,Part of Protein,,,,,[Mn+2],
,,2DSC,,,,,,,
,,,APR:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,3BM4,,,,,,,
,,,ADV:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N,
,,,ADV:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:306,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3X0K,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,3X0Q,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,1V8S,,,,,,,
,,,AMP:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,3X0M,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,1V8L,,,,,,,
,,,APR:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,3X0O,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:205,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,1V8M,,,,,,,
,,,APR:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,GD:A:300,invalid,,,,,[Gd],
,,,GD:A:301,invalid,,,,,[Gd],
,,,GD:A:302,invalid,,,,,[Gd],
,,,GD:A:303,invalid,,,,,[Gd],
,,3X0P,,,,,,,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,MN:A:203,Part of Protein,,,,,[Mn+2],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,1V8R,,,,,,,
,,,APR:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1V8V,,,,,,,
,,,APR:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,3X0L,,,,,,,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,3X0N,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,1V8Y,,,,,,,
,,,APR:A:619,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KHZ,,,,,,,
,,,ADV:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:310,Part of Protein,,,,,[Mg+2],
,,1G9Q,,,,,,,
,,,APR:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,1MK1,,,,,,,
,,,APR:A:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,1MR2,,,,,,,
,,,A12:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,1MQE,,,,,,,
,,,APR:A:208,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,GD3:A:301,invalid,,,,,[Gd+3],
,,1MQW,,,,,,,
,,,ADV:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)O)N,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1QVJ,,,,,,,
,,,MG:A:560,Part of Protein,,,,,[Mg+2],
,,,MG:A:561,Part of Protein,,,,,[Mg+2],
,,,RP5:A:554,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,SO4:A:555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:559,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:553,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5C8L,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC:A:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,5C7T,,,,,,,
,,,PG0:A:208,invalid,,,,,COCCOCCO,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:208,invalid,,,,,C(COCCOCCO)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,APR:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
3.2.1.83,,,,,,,,,
,Family. Representative Entry is ,5OCQ,,,,,,,
,,,CIT:A:405,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:405,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,9RN G4S 9RN G4S:B:401,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(O)OC2CO3)OC1CO)[O-],
,,,9RN G4S 9RN G4S:A:401,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C3C(OC4C(O)C(O)C(OS(=O)(=O)[O-])C(CO)O4)C(O2)CO3)C(O)C(OC2C3C(O)C(O)OC2CO3)OC1CO)[O-],
2.5.1.66,,,,,,,,,
,Family. Representative Entry is ,1UPA,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,2IHU,,,,,,,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,K:A:1501,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:C:1502,Part of Protein,,,,,[K+],
,,,K:C:602,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,TAR:A:603,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:603,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TP8:C:600,invalid,,,,,[H]/N=C/1[C@H](C=NC(=N1)C)C[n+]2c(c(sc2/C(=C/CO[P@](=O)(O)[O-])/O)CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])C,
,,,TP9:A:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,TP9:B:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,TP9:C:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,TP9:D:600,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,2IHV,,,,,,,
,,,GVA:A:603,valid,,,,,[H]/N=C(/N)NCCCCC(=O)O,
,,,GVA:B:603,valid,,,,,[H]/N=C(/N)NCCCCC(=O)O,
,,,GVA:C:603,valid,,,,,[H]/N=C(/N)NCCCCC(=O)O,
,,,GVA:D:603,valid,,,,,[H]/N=C(/N)NCCCCC(=O)O,
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:B:995,Part of Protein,,,,,[K+],
,,,K:C:602,Part of Protein,,,,,[K+],
,,,K:C:996,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1UPB,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,1UPC,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:F:601,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:E:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,2IHT,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1905,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:600,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
4.2.-.-,,,,,,,,,
,Family. Representative Entry is ,1U8V,,,,,,,
,,,FAD:A:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:A:491,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:491,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:491,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:491,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,2Q8Y,,,,,,,
,,,GLN TYR PHE MET TPO GLU PTR VAL ALA:B:215,valid,Kd,=,102,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)Cc1ccc(O)cc1)Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)Cc1ccc(OP(=O)([O-])[O-])cc1)CCC(=O)[O-])C(OP(=O)([O-])[O-])C)C,
,,2Z8P,,,,,,,
,,,GLY GLU ALA TPO VAL PTR ALA:B:180,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CCC(=O)[O-])C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)Cc1ccc(OP(=O)([O-])[O-])cc1)C(C)C)C)([O-])[O-],
5.4.2.8,,,,,,,,,
,Family. Representative Entry is ,2FUE,,,,,,,
,,,M1P:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,6CFV,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,IMP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,Family. Representative Entry is ,2FKF,,,,,,,
,,,G16:A:465,valid,Kd,=,1.2,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,2H5A,,,,,,,
,,,X1P:X:600,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,ZN:X:700,Part of Protein,,,,,[Zn+2],
,,2FKM,,,,,,,
,,,G16:X:464,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,2H4L,,,,,,,
,,,R1P:X:600,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,1P5D,,,,,,,
,,,G1P:X:658,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,1P5G,,,,,,,
,,,G6P:X:658,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,1PCM,,,,,,,
,,,M6P:X:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,4MRQ,,,,,,,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,TLA:A:502,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PGE:A:509,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:510,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:511,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,3BKQ,,,,,,,
,,,G1P:X:658,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,1K2Y,,,,,,,
,,,TLA:X:999,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
,,1PCJ,,,,,,,
,,,M1P:X:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,ZN:X:500,Part of Protein,,,,,[Zn+2],
4.1.2.49,,,,,,,,,
,Family. Representative Entry is ,3WGC,,,,,,,
,,,PLG:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
1.17.99.2,,,,,,,,,
,Family. Representative Entry is ,2IVF,,,,,,,
,,,ACT:A:1978,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1983,invalid,,,,,CC(=O)[O-],
,,,F3S:B:1356,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,GOL:A:1979,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1980,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1981,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1982,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1216,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:1217,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MD1:A:1987,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H](/C(=C([C@H]4C=NC5=C(N4)C(=O)NC(=N5)N)/S)/S)O)O)O)N=C(NC2=O)N,
,,,MES:A:1977,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MGD:A:1986,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:A:1985,Part of Protein,,,,,[Mo],
,,,PO4:B:1354,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SF4:A:1984,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1357,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1358,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1359,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
4.4.1.4,,,,,,,,,
,Family. Representative Entry is ,2HOX,,,,,,,
,,,CL:A:5001,invalid,,,,,[Cl-],
,,,CL:B:5002,invalid,,,,,[Cl-],
,,,CL:C:5003,invalid,,,,,[Cl-],
,,,CL:D:5004,invalid,,,,,[Cl-],
,,,NAG:A:4500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG:H:1,invalid,,,,,,
,,,NAG FUC NAG BMA:G:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP BMA:E:1,invalid,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,P1T:A:6001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:B:6002,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:C:6003,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:D:6004,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
6.3.1.5,,,,,,,,,
,Family. Representative Entry is ,1XNG,,,,,,,
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DND:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,MG:A:309,Part of Protein,,,,,[Mg+2],
,,,MG:B:308,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1WXI,,,,,,,
,,,AMP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DPO:A:500,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,1WXG,,,,,,,
,,,DND:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,1WXH,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1WXE,,,,,,,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3FIU,,,,,,,
,,,AMP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:5001,Part of Protein,,,,,[Mg+2],
,,,MG:A:5002,Part of Protein,,,,,[Mg+2],
,,,MG:B:5001,Part of Protein,,,,,[Mg+2],
,,,MG:B:5002,Part of Protein,,,,,[Mg+2],
,,,MG:C:5001,Part of Protein,,,,,[Mg+2],
,,,MG:C:5002,Part of Protein,,,,,[Mg+2],
,,,MG:D:5001,Part of Protein,,,,,[Mg+2],
,,,MG:D:5002,Part of Protein,,,,,[Mg+2],
,,,NA:A:250,Part of Protein,,,,,[Na+],
,,,NA:B:250,Part of Protein,,,,,[Na+],
,,,NA:C:250,Part of Protein,,,,,[Na+],
,,,NA:D:250,Part of Protein,,,,,[Na+],
,,,POP:A:4001,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:4001,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:4001,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:4001,valid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,2PZ8,,,,,,,
,,,APC:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,GOL:A:3309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3308,invalid,,,,,C(C(CO)O)O,
,,,MG:A:4001,Part of Protein,,,,,[Mg+2],
,,,MG:B:4002,Part of Protein,,,,,[Mg+2],
,,2PZA,,,,,,,
,,,AMP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:5000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:3309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3308,invalid,,,,,C(C(CO)O)O,
,,,MG:A:6242,Part of Protein,,,,,[Mg+2],
,,,MG:A:6243,Part of Protein,,,,,[Mg+2],
,,,MG:B:6240,Part of Protein,,,,,[Mg+2],
,,,MG:B:6241,Part of Protein,,,,,[Mg+2],
,,,POP:A:6000,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:7000,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
5.6.1.1,,,,,,,,,
,Family. Representative Entry is ,6NYV,,,,,,,
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,LBD:B:802,valid,ic50,=,0.21,uM,C[C@@H]1CNCCN1c2nc3ccccc3c(n2)Nc4cc(n[nH]4)C(C)(C)C,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P10,,,,,,,
,,,SKE:B:802,valid,ic50,=,6,uM,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P11,,,,,,,
,,,SKE:B:802,valid,ic50,=,0.9,uM,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P12,,,,,,,
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NKY:B:801,valid,ic50,=,0.23,uM,CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NYW,,,,,,,
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L8M:B:802,valid,ic50,=,0.23,uM,C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc([nH]n4)C(C)(C)C,
,,6P13,,,,,,,
,,,NKY:B:802,valid,ic50,=,0.22,uM,CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N,
,,,MPD:B:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P14,,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,NKY:A:804,valid,ic50,=,0.22,uM,CNC(=O)c1cccc(c1)Nc2nc(n(n2)C(=O)c3c(cccc3F)OC)N,
,,,MPD:A:802,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
1.18.1.6,,,,,,,,,
,Family. Representative Entry is ,1E1M,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1CJC,,,,,,,
,,,FAD:A:1058,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1E1L,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1E1N,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1E1K,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.7.49,,,,,,,,,
,Family. Representative Entry is ,3DLG,,,,,,,
,,,GWE:A:999,valid,ic50,=,1.2,nM,Cc1cc(ccc1NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)F)C(F)(F)F)Cl)S(N)(O)O,
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KO0,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,JLJ:A:601,valid,,,,,CC(=CCOc1cc(ccc1C#N)Nc2nccc(n2)OC)C,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BE2,,,,,,,
,,,GOL:A:3000,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,MN:A:4001,Part of Protein,,,,,[Mn+2],
,,,R22:A:4002,valid,ic50,=,0.002,uM,Cc1cc(cc(c1)OC2=C(C(=O)NC(=C2CSCc3ccco3)C)I)C,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6C0J,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,K5A:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,3MEE,,,,,,,
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T27:A:561,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,4WE1,,,,,,,
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,3LQ:A:601,valid,,,,,c1ccc(c(c1)OCCN2C=CC(=O)NC2=O)Oc3cccc4c3ccc(c4)C#N,
,,1C1B,,,,,,,
,,,GCA:A:999,valid,,,,,CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C,
,,2RKI,,,,,,,
,,,CL:A:566,invalid,,,,,[Cl-],
,,,CL:B:441,invalid,,,,,[Cl-],
,,,CL:B:442,invalid,,,,,[Cl-],
,,,CL:B:443,invalid,,,,,[Cl-],
,,,CL:B:444,invalid,,,,,[Cl-],
,,,GOL:A:569,invalid,,,,,C(C(CO)O)O,
,,,MG:A:567,invalid,,,,,[Mg+2],
,,,SO4:A:561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TT1:A:568,valid,,,,,c1ccc(cc1)Cn2c(nnc2SCc3ccccc3Cl)c4cccs4,
,,6UL5,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,MG:A:611,Part of Protein,,,,,[Mg+2],
,,,QAG:A:601,valid,ic50,=,36.2,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)Nc4ccc(c(c4)F)C#N)C)/C=C/C#N,
,,4ID5,,,,,,,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:509,invalid,,,,,CS(=O)C,
,,,DMS:B:510,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,1FF:A:609,valid,,,,,Cn1c(c(cn1)C(=O)O)c2ccccc2,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,2ZD1,,,,,,,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,SO4:A:556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T27:A:557,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,6DUG,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,ic50,=,5.4,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,6C0K,,,,,,,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:520,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,K5A:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,3MED,,,,,,,
,,,65B:A:561,valid,,,,,Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N,
,,,CL:B:444,invalid,,,,,[Cl-],
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:443,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5K14,,,,,,,
,,,IB1:A:601,valid,,,,,COc1cc(c(c(c1)F)C(=O)c2ccnc(n2)Nc3ccc(cc3)C#N)F,
,,6C0O,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,1VRU,,,,,,,
,,,AAP:A:999,valid,ic50,=,0.1,uM,Cc1ccc(c(c1)N[C@@H](c2c(cccc2Cl)Cl)C(=O)N)C(=O)C,
,,2HNY,,,,,,,
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,NVP:A:999,valid,ic50,=,1165,nM,Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,
,,,PO4:A:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3MEC,,,,,,,
,,,65B:A:561,valid,,,,,Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N,
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YNF,,,,,,,
,,,MG:A:1559,Part of Protein,,,,,[Mg+2],
,,,MG:A:1561,Part of Protein,,,,,[Mg+2],
,,,MG:A:1560,Part of Protein,,,,,[Mg+2],
,,,WHU:A:1563,valid,,,,,c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br,
,,,TAR:A:1562,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,3QIP,,,,,,,
,,,CL:A:566,invalid,,,,,[Cl-],
,,,CL:B:441,invalid,,,,,[Cl-],
,,,MN:A:562,Part of Protein,,,,,[Mn+2],
,,,MN:A:563,Part of Protein,,,,,[Mn+2],
,,,NVP:A:561,valid,,,,,Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,
,,,P4Y:A:900,valid,,,,,c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O,
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HND,,,,,,,
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,NVP:A:999,valid,,,,,Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,
,,,PO4:A:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6C0L,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,NA:A:603,invalid,,,,,[Na+],
,,,K5A:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,4KV8,,,,,,,
,,,MLA:A:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,1WT:A:602,valid,ic50,=,17,nM,CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCOC4=CC=[N](c5c4cccc5)O)C,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4IFY,,,,,,,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,1FD:A:611,valid,,,,,c1cc(ccc1CN)OC(F)(F)F,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,1C1C,,,,,,,
,,,612:A:999,valid,,,,,CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2,
,,3DLE,,,,,,,
,,,GFA:A:999,valid,ic50,=,2,nM,c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3ccccc3)Cl,
,,6DUH,,,,,,,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K5C:A:601,valid,ic50,=,38,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,6C0R,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:629,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:A:628,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,ic50,=,31,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,1RTH,,,,,,,
,,,U05:A:999,valid,ic50,=,0.4,uM,CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-],
,,6X4B,,,,,,,
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UMY:A:601,valid,,,,,Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)F)C#N,
,,2YNG,,,,,,,
,,,MG:A:1559,Part of Protein,,,,,[Mg+2],
,,,MG:A:1561,Part of Protein,,,,,[Mg+2],
,,,MG:A:1560,Part of Protein,,,,,[Mg+2],
,,,SRT:A:1562,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,WHU:A:1563,valid,,,,,c1cc(c(c(c1CNC(=O)c2c(nc([nH]2)N)Cl)F)Oc3cc(cc(c3)Cl)C#N)Br,
,,4G1Q,,,,,,,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,MG:A:608,Part of Protein,,,,,[Mg+2],
,,4ICL,,,,,,,
,,,14N:A:607,valid,,,,,CN1CCN(CC1)c2ccc(cc2)C(=O)O,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,4IG3,,,,,,,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,J94:A:609,valid,,,,,C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C,
,,4IDK,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,1FE:A:602,valid,,,,,c1cc2c(cc1NC(=O)CN)NC(=O)N2,
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,3DYA,,,,,,,
,,,PZL:A:562,valid,ic50,=,3,nM,c1cc(c(c(c1Cc2c3ccnnc3[nH]n2)F)Oc4cc(cc(c4)Cl)C#N)Br,
,,6ELI,,,,,,,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,BA5:A:702,valid,,,,,COC(=O)C1=C(c2cccnc2N(C1=O)O)N,
,,,T27:A:701,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IAJ,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,MN:A:561,Part of Protein,,,,,[Mn+2],
,,,MN:A:562,Part of Protein,,,,,[Mn+2],
,,,MN:A:563,Part of Protein,,,,,[Mn+2],
,,,NA:A:564,Part of Protein,,,,,[Na+],
,,4IG0,,,,,,,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,1FG:A:602,valid,,,,,CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4,
,,,1FG:A:601,valid,,,,,CN(CC1=NC(=O)c2ccccc2N1)CC(=O)N3CCCc4c3cccc4,
,,2OPS,,,,,,,
,,,HBQ:A:999,valid,,,,,CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F,
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4IFV,,,,,,,
,,,FMQ:A:602,valid,,,,,Cc1c(cnn1c2ccc(cc2)F)CO,
,,,FMQ:B:501,valid,,,,,Cc1c(cnn1c2ccc(cc2)F)CO,
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,T27:A:601,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,4KFB,,,,,,,
,,,1QP:A:601,valid,,,,,CCOC(=O)c1cnn2c1cccc2,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,T27:A:607,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,,1JKH,,,,,,,
,,,EFZ:A:999,valid,,,,,c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F,
,,3DOL,,,,,,,
,,,GWI:A:999,valid,,,,,CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl,
,,,PO4:A:1300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2YNI,,,,,,,
,,,MG:A:1559,Part of Protein,,,,,[Mg+2],
,,,TAR:A:1560,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,CXD:A:1561,valid,,,,,c1cc(c(c(c1CNC(=O)c2c(nc[nH]2)Cl)F)Oc3cc(cc(c3)Cl)C#N)Cl,
,,6C0P,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,5VQW,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9KD:A:601,valid,ic50,=,0.4,uM,Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N,
,,5VQS,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9KD:A:601,valid,ic50,=,1.2,uM,Cc1c2cc(ccc2c(cc1Oc3ccccc3OCCN4C=CC(=O)NC4=O)NC(=O)C=C)C#N,
,,1EP4,,,,,,,
,,,S11:A:999,valid,,,,,CC(C)c1c(n(c(n1)COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl,
,,1FK9,,,,,,,
,,,EFZ:A:999,valid,,,,,c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F,
,,6AOC,,,,,,,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:C:625,invalid,,,,,C(CO)O,
,,,EDO:C:622,invalid,,,,,C(CO)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:B:522,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:B:523,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:C:623,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:C:621,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:D:513,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:C:624,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:C:618,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:C:619,invalid,,,,,C(CO)O,
,,,EDO:B:521,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:C:617,invalid,,,,,C(CO)O,
,,,EDO:D:514,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:C:626,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:520,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:620,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,PGE:D:501,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:501,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:504,invalid,,,,,C(COCCOCCO)O,
,,,ZW2:A:603,valid,,,,,c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O,
,,,ZW2:C:603,valid,,,,,c1ccc(cc1)Cc2cc3c(s2)NC(=O)N(C3=O)O,
,,6CGF,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,NA:A:603,invalid,,,,,[Na+],
,,,K5A:A:601,valid,,,,,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,1S1T,,,,,,,
,,,PO4:A:2001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1000,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UC1:A:999,valid,,,,,Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl,
,,3LP1,,,,,,,
,,,LP8:A:601,valid,,,,,c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,NVP:A:701,valid,,,,,Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,
,,2RF2,,,,,,,
,,,MRX:A:561,valid,ic50,=,3.6,nM,c1cc2c(cc1Br)c(c([nH]2)C(=O)N)S(=O)(=O)N3CCCC3,
,,4I7F,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,MG:A:606,invalid,,,,,[Mg+2],
,,,NVE:A:601,valid,ic50,=,100,nM,CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4ccc(cc4)OCP(=O)(OCC)OCC)C,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6DUF,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,ic50,=,7.3,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,4I2P,,,,,,,
,,,G73:A:601,valid,,,,,Cc1cc(cc(c1Nc2nc3c(c(n2)Nc4ccc(cc4)OC)[nH]cn3)C)/C=C/C#N,
,,6C0N,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,K5C:A:601,valid,ic50,=,4.3,nM,Cc1cc(cc(c1Oc2c3c(ccs3)nc(n2)NC4CCN(CC4)Cc5ccc(cc5)S(=O)(=O)N)C)/C=C/C#N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,1VRT,,,,,,,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,NVP:A:999,valid,ic50,=,0.08,uM,Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4,
,,2YKN,,,,,,,
,,,CA:A:1560,Part of Protein,,,,,[Ca+2],
,,,YKN:A:1559,valid,,,,,Cc1ccnc(n1)SC(c2nc3ccccc3o2)(F)F,
,,1JLA,,,,,,,
,,,TNK:A:999,valid,,,,,CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3,
,,3BGR,,,,,,,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,T27:A:556,valid,,,,,Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)/C=C/C#N,
,Family. Representative Entry is ,4E1M,,,,,,,
,,,TQ2:A:301,valid,ic50,=,215,nM,Cc1ccc(cc1C)c2c3ccccc3nc(c2[C@@H](C(=O)O)OC(C)(C)C)C,
,,5HRN,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAC:A:301,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,,65P:A:306,valid,,,,,Cc1c(ccc2c1CCCO2)c3c4ccn(c4nc(c3[C@@H](C(=O)O)OC(C)(C)C)C)Cc5ccc(c(c5)F)F,
,Family. Representative Entry is ,3T1A,,,,,,,
,,,5MA:A:561,valid,Ki,=,4.3,nM,c1cc2c([nH]nc2nc1)Cn3c4ccc(c(c4nn3)Oc5cc(cc(c5Cl)CN)Cl)Cl,
,,3LAK,,,,,,,
,,,CL:B:561,invalid,,,,,[Cl-],
,,,KR1:A:701,valid,,,,,Cc1cc(cc(c1)C(=O)C2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C#N,
,,,SO4:A:561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:562,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:563,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:564,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5UGW,,,,,,,
,,,GSH:A:1202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:1201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1A5V,,,,,,,
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,Y3:A:1,valid,ic50,=,800,uM,CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O,
,,1A5X,,,,,,,
,,,Y3:A:1,valid,,,,,CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O,
,,1A5W,,,,,,,
,,,Y3:A:1,valid,,,,,CC(=O)Nc1cc(cc2c1c(cc(c2)S(=O)(=O)O)O)S(=O)(=O)O,
,Family. Representative Entry is ,3ISN,,,,,,,
,,,EDM:C:561,valid,Ki,=,8,nM,CN(C)c1cc(nc(n1)S(=O)(=O)C)C=C,
6.1.2.1,,,,,,,,,
,Family. Representative Entry is ,1E4E,,,,,,,
,,,ADP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1348,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1349,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1350,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:990,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:996,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1348,invalid,,,,,C(C(CO)O)O,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,MG:A:365,Part of Protein,,,,,[Mg+2],
,,,MG:B:360,Part of Protein,,,,,[Mg+2],
,,,MG:B:365,Part of Protein,,,,,[Mg+2],
,,,PHY:A:355,valid,,,,,C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O,
,,,PHY:B:355,valid,,,,,C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)(O)O)C(=O)O,
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.16.6,,,,,,,,,
,Family. Representative Entry is ,1WHT,,,,,,,
,,,BZS:A:430,valid,Ki,=,0.2,mM,c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O,
,,,NAG:A:1131,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG FUC:C:1,Part of Protein,,,,,,
,,1BCR,,,,,,,
,,,ARG:A:426,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FC0 ARG VAL OAR:C:3,Part of Protein,,,,,O=C(NC(C(O)[N-]C(CO)CCCNC(=[NH2+])N)C(C)C)C([N-]C(O)[NH2+]C(C=O)Cc1ccccc1)CCCNC(=[NH2+])N,
,,,NAG:A:1131,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG FUC NAG:D:1,Part of Protein,,,,,,
,,1BCS,,,,,,,
,,,ACT:B:461,invalid,,,,,CC(=O)[O-],
,,,ARG:A:426,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:A:450,Part of Protein,,,,,C(C(CO)O)O,
,,,NAG:A:1131,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PHE CSI LEU PHA:C:1,Part of Protein,,,,,O=C(NC(C(=O)[O-])Cc1ccccc1)NC(C(=O)NC(C(=O)NC(CO)Cc1ccccc1)CC(C)C)C1NC(N)=NCC1,
,,,NAG FUC NDG:D:1,Part of Protein,,,,,,
2.4.2.26,,,,,,,,,
,Family. Representative Entry is ,6EJ7,,,,,,,
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1011,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1012,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,UDX:A:1002,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O)O)O,
,,,PEG:A:1017,invalid,,,,,C(COCCO)O,
,,,PEG:A:1018,invalid,,,,,C(COCCO)O,
,,,NA:A:1003,Part of Protein,,,,,[Na+],
3.2.1.39,,,,,,,,,
,Family. Representative Entry is ,3B00,,,,,,,
,,,16A:A:300,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,16A:B:300,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,16A:D:300,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,3AZZ,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,LGC:A:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:C:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4BPZ,,,,,,,
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,4BOW,,,,,,,
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,NA:B:399,Part of Protein,,,,,[Na+],
,,,BGC BGC BGC BGC:B:402,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4CTE,,,,,,,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:B:280,Part of Protein,,,,,[Ca+2],
,,,CL:A:261,invalid,,,,,[Cl-],
,,,CL:B:281,invalid,,,,,[Cl-],
,,,GS1 GS1:C:1,valid,,,,,,
,,,GOL:B:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:284,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:282,invalid,,,,,CC(=O)[O-],
,,,GS1 GS1 BGC:D:1,valid,,,,,,
,,,EDO:A:263,invalid,,,,,C(CO)O,
,,,EDO:B:283,invalid,,,,,C(CO)O,
,,,NA:B:285,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3GD9,,,,,,,
,,,GLC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,5H9Y,,,,,,,
,,,TLA:A:510,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
2.7.3.5,,,,,,,,,
,Family. Representative Entry is ,3JQ3,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.6.1.28,,,,,,,,,
,Family. Representative Entry is ,5A65,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,TPP:B:1000,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:1000,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,PO4:B:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:1100,invalid,,,,,C(CO)O,
,,,EDO:B:1100,invalid,,,,,C(CO)O,
,,5A64,,,,,,,
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1219,invalid,,,,,C(CO)O,
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,PGE:A:1220,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1221,invalid,,,,,C(COCCOCCO)O,
,,,V4E:A:1000,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,V4E:B:1000,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O,
2.1.1.72,,,,,,,,,
,Family. Representative Entry is ,2DPM,,,,,,,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1G60,,,,,,,
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:B:402,invalid,,,,,[Na+],
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1NW5,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,SAM:A:401,valid,Kd,=,6.1,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1NW7,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SAH:A:401,valid,Kd,=,8.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1NW6,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SFG:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,1EG2,,,,,,,
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1Q0S,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
2.6.1.9,,,,,,,,,
,Family. Representative Entry is ,3CQ5,,,,,,,
,,,144:A:400,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:405,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:C:400,invalid,,,,,C[N+](CO)(CO)CO,
,,,PMP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1UU1,,,,,,,
,,,PMP HSA:A:1335,valid,,,,,P(=O)(OCC(=NCc1c(O)c(C)ncc1COP(=O)([O-])[O-])Cc1nc[nH]c1)([O-])[O-],
,,,PMP HSA:B:1335,valid,,,,,P(=O)(OCC(=NCc1c(O)c(C)ncc1COP(=O)([O-])[O-])Cc1nc[nH]c1)([O-])[O-],
,,,PMP HSA:C:1335,valid,,,,,P(=O)(OCC(=NCc1c(O)c(C)ncc1COP(=O)([O-])[O-])Cc1nc[nH]c1)([O-])[O-],
,,,PMP HSA:D:1335,valid,,,,,P(=O)(OCC(=NCc1c(O)c(C)ncc1COP(=O)([O-])[O-])Cc1nc[nH]c1)([O-])[O-],
,Family. Representative Entry is ,1GEX,,,,,,,
,,,PLP HSA:A:413,valid,,,,,P(=O)(OCC([NH2+]Cc1c(O)c(C)ncc1COP(=O)([O-])[O-])Cc1nc[nH]c1)([O-])[O-],
,,1GEY,,,,,,,
,,,PPE:A:413,valid,,,,,Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,1FG7,,,,,,,
,,,PMP:A:357,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
3.5.-.-,,,,,,,,,
,Family. Representative Entry is ,4LCN,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,GNG:A:202,valid,Ka,=,91000,M^-1,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,4LD2,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,CTN:A:202,valid,Ka,=,43000,M^-1,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,4LC5,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,9MG:A:202,valid,,,,,Cn1cnc2c1nc(nc2O)N,
,,4HRQ,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,AZG:A:201,valid,,,,,c12c(nc(nc1O)N)nn[nH]2,
,,,AZG:B:201,valid,,,,,c12c(nc(nc1O)N)nn[nH]2,
,,4LCP,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,6AP:A:202,valid,,,,,c1[nH]c2c(n1)c(nc(n2)N)N,
,,4HRW,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,AZG:B:202,valid,,,,,c12c(nc(nc1O)N)nn[nH]2,
,Family. Representative Entry is ,4HGD,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,KGT:B:404,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O,
,,,KGT:D:405,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O,
,,,KGT:A:407,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O,
,,,KGT:C:405,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)C(=O)O,
,,,CAC:A:406,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:403,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:404,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:D:404,invalid,,,,,C[As](=O)(C)[O-],
,Family. Representative Entry is ,6JST,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,FE:D:401,Part of Protein,,,,,[Fe+3],
,,,OH:C:403,invalid,,,,,[OH-],
,,,OH:B:403,invalid,,,,,[OH-],
,,,OH:A:403,invalid,,,,,[OH-],
,,,LAE:A:404,valid,,,,,CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,4H9X,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,HL4:A:404,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,HL4:B:404,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,OH:A:403,invalid,,,,,[OH-],
,,,OH:B:403,invalid,,,,,[OH-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,4H9T,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,HL4:A:403,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,HL4:B:403,valid,,,,,CCCC(=O)N[C@H]1CCOC1=O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
2.7.2.11,,,,,,,,,
,Family. Representative Entry is ,2J5V,,,,,,,
,,,MG:A:1368,Part of Protein,,,,,[Mg+2],
,,,PCA:A:1369,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,PCA:B:1368,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,RGP:A:1370,valid,,,,,C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N,
,,,RGP:B:1369,valid,,,,,C(CC(=O)OP(=O)(O)O)[C@H](C(=O)O)N,
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2AKO,,,,,,,
,,,ADP:A:852,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:853,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:854,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:855,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.5.4.27,,,,,,,,,
,Family. Representative Entry is ,4GVS,,,,,,,
,,,F4M:B:401,valid,,,,,CC1C(N(C2=C(N1)NC(=NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O,
,,4GVQ,,,,,,,
,,,N4M:A:401,valid,,,,,C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O,
,,,N4M:B:401,valid,,,,,C[C@H]1[C@@H](NC2=C(N1)NC(=NC2=O)N)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O[C@H](CCC(=O)O)C(=O)O)O)O)O)O)O,
2.3.1.85,,,,,,,,,
,Family. Representative Entry is ,4PIV,,,,,,,
,,,NDP:A:2202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:B:2204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2W4:A:2205,valid,ic50,=,7.7,nM,c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6,
,,,2W4:B:2205,valid,ic50,=,7.7,nM,c1cc(ccc1c2ccc3c(c2)cco3)N4C(=NNC4=O)C[C@@H]5CCN(C5)C(=O)C6CC6,
,,,CAC:B:2201,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:2201,invalid,,,,,C[As](=O)(C)[O-],
,,6NNA,,,,,,,
,,,EDO:B:2205,invalid,,,,,C(CO)O,
,,,EDO:B:2207,invalid,,,,,C(CO)O,
,,,EDO:A:2203,invalid,,,,,C(CO)O,
,,,EDO:A:2207,invalid,,,,,C(CO)O,
,,,EDO:A:2208,invalid,,,,,C(CO)O,
,,,EDO:B:2204,invalid,,,,,C(CO)O,
,,,EDO:B:2206,invalid,,,,,C(CO)O,
,,,EDO:A:2206,invalid,,,,,C(CO)O,
,,,EDO:A:2204,invalid,,,,,C(CO)O,
,,,EDO:A:2209,invalid,,,,,C(CO)O,
,,,EDO:A:2205,invalid,,,,,C(CO)O,
,,,EDO:B:2203,invalid,,,,,C(CO)O,
,,,EDO:B:2208,invalid,,,,,C(CO)O,
,,,KUA:B:2202,valid,,,,,c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O,
,,,KUA:A:2202,valid,,,,,c1ccc2c(c1)nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(CC5)O,
,,,NDP:A:2201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2PX6,,,,,,,
,,,DH9:A:3000,valid,,,,,CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O,
,,,DH9:B:61,valid,,,,,CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O,
,,,DTT:B:71,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
3.5.1.-,,,,,,,,,
,Family. Representative Entry is ,6MAE,,,,,,,
,,,JBA:A:301,valid,Kd,=,0.065,nM,C[C@@](C[C@H]1CN(C(=O)O1)c2ccc(cc2)C#CC3CC3)(C(=O)NO)S(=O)(=O)C,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,3UHM,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,GAI:A:301,invalid,,,,,C(=N)(N)N,
,,,RFN:A:303,valid,ic50,=,3.6,nM,C[C@@](CCN1C=CC(=CC1=O)c2ccccc2)(C(=O)NO)S(=O)(=O)C,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,7CI4,,,,,,,
,,,CL:A:1303,invalid,,,,,[Cl-],
,,,CL:B:1303,invalid,,,,,[Cl-],
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1301,Part of Protein,,,,,[Zn+2],
,,,FXU:A:1300,valid,ic50,=,8.97,uM,CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N,
,,,FXU:B:1300,valid,ic50,=,8.97,uM,CS(=O)(=O)CC[C@H](C(=O)Nc1cccc(c1)OC(F)(F)F)N,
,,,MG:B:1302,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,4LCH,,,,,,,
,,,NO3:A:316,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:318,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:308,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:315,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:307,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:319,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:320,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:305,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:306,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:311,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:310,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:314,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:317,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:313,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:309,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:312,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZN:A:303,invalid,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,1WN:A:304,valid,,,,,C[C@](c1ccc(cc1)O)([C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#Cc3ccc(cc3)N)O,
,,5U3B,,,,,,,
,,,7TD:A:502,valid,ic50,=,1.5,nM,CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N,
,,,7TD:B:502,valid,ic50,=,1.5,nM,CC#CCOc1ccc(cc1)C(=O)N[C@H](C(=O)NO)C(C)(C)N,
,,,EPE:B:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,7CI9,,,,,,,
,,,FYL:A:1300,valid,ic50,=,20,nM,C[C@@H](c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)(CO)N)O,
,,,EDO:A:1306,invalid,,,,,C(CO)O,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,EDO:A:1307,invalid,,,,,C(CO)O,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1302,invalid,,,,,C(CO)O,
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1308,Part of Protein,,,,,[Zn+2],
,,7CI5,,,,,,,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:C:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,FXX:B:301,valid,ic50,=,5.69,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N,
,,,FXX:C:301,valid,ic50,=,5.69,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N,
,,,FXX:A:301,valid,ic50,=,5.69,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N,
,,,FXX:D:301,valid,ic50,=,5.69,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(=O)O)N,
,,6MO5,,,,,,,
,,,JWP:A:301,valid,ic50,=,0.3,nM,CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)CC2COC2,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4J3D,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,1JS:B:303,valid,ic50,=,5.3,nM,c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO,
,,,1JS:A:303,valid,ic50,=,5.3,nM,c1ccc(cc1)C#Cc2ccc(cc2)C(=O)N[C@@H](CCC(=O)NCCCO)C(=O)NO,
,,2VES,,,,,,,
,,,GVR:A:1296,valid,,,,,c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3,
,,,GVR:B:1290,valid,,,,,c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3,
,,,GVR:C:1301,valid,,,,,c1ccc2cc(ccc2c1)C[C@H](C(=O)NO)NS(=O)(=O)c3ccc4ccccc4c3,
,,,SO4:B:1292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1295,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1297,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1289,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1303,Part of Protein,,,,,[Zn+2],
,,5DRR,,,,,,,
,,,NO3:A:320,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:307,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:313,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:312,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:316,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:305,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:319,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:304,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:309,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:318,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:306,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:314,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:308,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:310,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:315,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:311,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:317,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,5EN:A:303,valid,,,,,C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)(C(F)F)O,
,,4LCG,,,,,,,
,,,NO3:A:316,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:318,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:308,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:315,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:307,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:319,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:304,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:305,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:306,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:311,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:310,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:314,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:317,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:313,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:309,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:312,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,1WM:A:303,valid,,,,,c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H]([C@H](c3ccc(cc3)O)O)C(=O)NO,
,,7CIC,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,FZ0:B:301,valid,ic50,=,54.9,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)CN,
,,,FZ0:A:301,valid,ic50,=,54.9,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)CN,
,,3P3E,,,,,,,
,,,3P3:A:501,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O,
,,,NA:A:601,invalid,,,,,[Na+],
,,,NO3:A:701,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:702,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:703,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:704,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:705,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:706,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:707,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:708,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:709,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:710,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:711,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:712,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:713,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:714,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:715,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:716,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:717,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:718,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:719,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:720,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:721,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:722,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:723,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:724,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:725,invalid,,,,,[N+](=O)([O-])[O-],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,6MO4,,,,,,,
,,,JWM:A:302,valid,ic50,=,4.6,nM,CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#CCCO)S(=O)(=O)C,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,5N8C,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,8Q8:B:403,valid,,,,,CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N,
,,,8Q8:A:403,valid,,,,,CC(C)([C@@H](C(=O)NO)N[C@@H]1CCc2c1ccc(c2)C#Cc3ccc(cc3)Cn4ccnc4CO)N,
,,7K99,,,,,,,
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W4M:A:402,valid,,,,,CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O,
,,,W4M:C:402,valid,,,,,CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)CN4CCOCC4)N(CO)O,
,,,ZN:C:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,5DRQ,,,,,,,
,,,NO3:A:331,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:325,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:304,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:318,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:306,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:308,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:330,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:320,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:313,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:307,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:332,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:324,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:327,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:312,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:326,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:316,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:305,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:323,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:319,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:309,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:321,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:329,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:328,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:314,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:310,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:322,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:315,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:311,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:317,invalid,,,,,[N+](=O)([O-])[O-],
,,,5EM:A:303,valid,,,,,CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5U39,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,C90:A:502,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)O,
,,3U1Y,,,,,,,
,,,03I:A:405,valid,ic50,<,2.13,nM,C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C,
,,,03I:B:405,valid,ic50,<,2.13,nM,C[C@@](CCc1ccc(cc1)c2ccc(cc2)OCCCN3CCOCC3)(C(=O)NO)S(=O)(=O)C,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,7CIB,,,,,,,
,,,ZN:A:1304,Part of Protein,,,,,[Zn+2],
,,,DMS:A:1303,invalid,,,,,CS(=O)C,
,,,DMS:A:1302,invalid,,,,,CS(=O)C,
,,,DMS:A:1301,invalid,,,,,CS(=O)C,
,,,FYR:A:1300,valid,,,,,c1ccc(cc1)c2ccc(c(c2)O)C(=O)O,
,,6MOO,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,A5F:A:302,valid,ic50,=,19,nM,CC(C)([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#C[C@@H]2C[C@H]2CO)N,
,,7CIE,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,FZ6:A:301,valid,ic50,=,12.8,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N,
,,,FZ6:B:301,valid,ic50,=,12.8,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N,
,,4LCF,,,,,,,
,,,ZN:A:302,invalid,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NO3:A:304,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:305,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:306,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:310,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:308,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:315,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:314,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:307,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:313,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:309,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:312,invalid,,,,,[N+](=O)([O-])[O-],
,,,1WL:A:303,valid,,,,,c1cc(ccc1C#CC#Cc2ccc(cc2)N)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)NO,
,,7CID,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,FZ3:A:301,valid,ic50,=,125,uM,c1cc(ccc1CCCn2ccnc2)Cl,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,7CI7,,,,,,,
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,FY9:A:1300,valid,ic50,=,0.00603,uM,CS(=O)(=O)C[C@@H]([C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(cc3)CO)N)O,
,,7K9A,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:C:406,Part of Protein,,,,,[Zn+2],
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,W8P:C:401,valid,,,,,CS[C@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O,
,,,W4P:C:402,valid,,,,,CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O,
,,,W4P:A:401,valid,,,,,CS[C@@H](Cn1c2ccc(cc2nn1)C#Cc3ccc(cc3)Cn4ccnc4CO)N(C=O)O,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,6MOD,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,JWV:A:302,valid,ic50,=,0.71,nM,COC1(CS(=O)(=O)C1)[C@@H](C(=O)NO)NC(=O)c2ccc(cc2)C#CC#CCCO,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1M21,,,,,,,
,,,PHE CSI LEU PHA:C:1,valid,Ki,<,0.3,uM,O=C(NC(C(=O)[O-])Cc1ccccc1)NC(C(=O)NC(C(=O)NC(CO)Cc1ccccc1)CC(C)C)C1NC(N)=NCC1,
,,,PHE CSI LEU PHA:D:1,valid,Ki,<,0.3,uM,O=C(NC(C(=O)[O-])Cc1ccccc1)NC(C(=O)NC(C(=O)NC(CO)Cc1ccccc1)CC(C)C)C1NC(N)=NCC1,
,Family. Representative Entry is ,1SZD,,,,,,,
,,,APR:A:1001,valid,Kd,=,29.16,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,GOL:A:1989,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1990,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1991,invalid,,,,,C(C(CO)O)O,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE:B:12,valid,,,,,O=C(NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCCNC(=O)C)C)C([NH3+])CCCC[NH3+],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1Q1A,,,,,,,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE:B:349,valid,,,,,O=C(NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCCNC(=O)C)C)C([NH3+])CCCC[NH3+],
,,,OAD:A:1001,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1SZC,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CNA:A:1001,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,GOL:A:1989,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1990,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1991,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1992,invalid,,,,,C(C(CO)O)O,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE:B:12,valid,,,,,O=C(NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCCNC(=O)C)C)C([NH3+])CCCC[NH3+],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5N1P,,,,,,,
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,8GK:A:301,valid,Kd,=,25,uM,c1ccc2c(c1)cccc2C(=O)NO,
,,,8GK:B:301,valid,Kd,=,25,uM,c1ccc2c(c1)cccc2C(=O)NO,
,,,8GK:C:301,valid,Kd,=,25,uM,c1ccc2c(c1)cccc2C(=O)NO,
,,,8GK:D:301,valid,Kd,=,25,uM,c1ccc2c(c1)cccc2C(=O)NO,
,,,NA:C:302,invalid,,,,,[Na+],
,,,NA:D:303,Part of Protein,,,,,[Na+],
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,PGE:D:302,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,1YC5,,,,,,,
,,,NCA:A:2001,valid,ic50,=,1,mM,c1cc(cnc1)C(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,2H59,,,,,,,
,,,3OD:B:253,valid,,,,,CC(=O)O[C@@H]1[C@@H](O[C@@H]([C@@H]1O)O)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,APR:A:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,2H4H,,,,,,,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,2H4J,,,,,,,
,,,NCA:A:1002,valid,,,,,c1cc(cnc1)C(=O)N,
,,,OAD:A:1003,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,2H4F,,,,,,,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2O3Z,,,,,,,
,,,AI7:A:301,valid,Kd,=,2,uM,CCCCCCCOc1cccc(c1)C(=O)O,
,,,AI7:B:301,valid,Kd,=,2,uM,CCCCCCCOc1cccc(c1)C(=O)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,5DRP,,,,,,,
,,,5EP:B:402,valid,,,,,CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N,
,,,5EP:A:402,valid,,,,,CC[C@H](C)[C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,CL:B:403,invalid,,,,,[Cl-],
,,4U3D,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,IMD:A:301,invalid,,,,,c1c[nH+]c[nH]1,
,,,3BX:A:305,valid,,,,,c1cc(ccc1CN2CCOCC2)C#Cc3ccc(cc3)OCC4(CCOCC4)C(=O)NO,
,,5U86,,,,,,,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,81V:A:302,valid,,,,,C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccc(cc2)CN3CCOCC3)(C(F)F)O,
,,4U3B,,,,,,,
,,,3BW:A:306,valid,,,,,c1cc(ccc1Oc2ccc(cc2)Cl)SCC3(CCOCC3)C(=O)NO,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,IMD:A:301,invalid,,,,,c1c[nH+]c[nH]1,
,,5DRO,,,,,,,
,,,ZH2:B:402,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O,
,,,ZH2:A:402,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,2J65,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,MYR:A:401,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:401,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:403,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,3P3C,,,,,,,
,,,3P3:A:501,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1P42,,,,,,,
,,,MYR:A:601,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:602,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:507,Part of Protein,,,,,[Zn+2],
,,3P76,,,,,,,
,,,IMD:A:272,invalid,,,,,c1c[nH+]c[nH]1,
,,,P76:A:273,valid,,,,,C[C@H]([C@@H](C(=O)NO)NC(=O)N1CCC(CC1)c2ccc(cc2)C#Cc3ccccc3)O,
,,,ZN:A:274,Part of Protein,,,,,[Zn+2],
,,,ZN:A:275,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3NFZ,,,,,,,
,,,3NF:A:322,valid,,,,,CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O,
,,,CL:A:320,invalid,,,,,[Cl-],
,,,CL:A:321,invalid,,,,,[Cl-],
,,,ZN:A:319,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4IQY,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,AR6:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,6Y73,,,,,,,
,,,DMS:F:302,invalid,,,,,CS(=O)C,
,,,DMS:C:403,invalid,,,,,CS(=O)C,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,TLA:C:401,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:G:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:H:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:502,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6Y4Y,,,,,,,
,,,TLA:B:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6Y4Z,,,,,,,
,,,TLA:D:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5CB3,,,,,,,
,,,APR:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,5DY5,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,BU3:A:405,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,EPE:A:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,5GR:A:402,valid,ic50,=,0.163,uM,Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc(c3)OCc4cn(nn4)Cc5ccccc5)C,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,4RMG,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,3TE:A:402,valid,ic50,=,0.14,uM,Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C,
,,4R8M,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,PRO LYS LYS THR GLY 3LX:C:1,valid,,,,,S=C(NCCCCC(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCCC[NH3+])C(=O)NC(C(=O)NCC=O)C(O)C)CCCCCCCCCCCC,
,,,PRO LYS LYS THR GLY 3LX:D:1,valid,,,,,S=C(NCCCCC(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCCC[NH3+])C(=O)NC(C(=O)NCC=O)C(O)C)CCCCCCCCCCCC,
,,4RMH,,,,,,,
,,,THR GLY GLY ALY ALA PRO ARG:B:14,valid,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,3TE:A:402,valid,,,,,Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cccc4)C,
,,5DY4,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,5GN:A:402,valid,ic50,=,0.21,uM,Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3cccc4c3cc(cc4)Br)C,
,,4Y6L,,,,,,,
,,,THR ALA ARG MYK SER THR GLY:D:6,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)C(O)C)CO)CCCCNC(=O)CCCCCCCCCCCCC)CCCNC(=[NH2+])N)C)C([NH3+])C(O)C,
,,,THR ALA ARG MYK SER THR GLY:C:6,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)C(O)C)CO)CCCCNC(=O)CCCCCCCCCCCCC)CCCNC(=[NH2+])N)C)C([NH3+])C(O)C,
,,,HIS ALA SER ILE ASP ALA GLN:A:349,invalid,,,,,,
,,,GLU HIS ALA SER ILE ASP ALA GLN:B:348,invalid,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,5MAR,,,,,,,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,7KE:A:403,valid,ic50,=,41.2,uM,c1cc(ccc1c2nc(on2)CCCO)Cl,
,,,7KE:B:403,valid,ic50,=,41.2,uM,c1cc(ccc1c2nc(on2)CCCO)Cl,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,3ZGV,,,,,,,
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ACT:A:1001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1000,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1000,invalid,,,,,CC(=O)[O-],
,,,ACT:B:470,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:470,invalid,,,,,CC(=O)[O-],
,,,PGE:B:1358,invalid,,,,,C(COCCOCCO)O,
,,,GOL:B:1357,invalid,,,,,C(C(CO)O)O,
,,,AR6:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,4Y6O,,,,,,,
,,,ALA SER ILE ASP ALA GLN:A:350,invalid,,,,,,
,,,LEU PRO LYS MYK THR GLY GLY:C:7,valid,,,,,O=C(NCC(=O)NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)CCCC[NH3+])CCCCNC(=O)CCCCCCCCCCCCC)C(O)C,
,,,LEU PRO LYS MYK THR GLY GLY:D:3,valid,,,,,O=C(NCC(=O)NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)CCCC[NH3+])CCCCNC(=O)CCCCCCCCCCCCC)C(O)C,
,,,GLU HIS ALA SER ILE ASP ALA GLN:B:348,invalid,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,4RMJ,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PGE:B:405,invalid,,,,,C(COCCOCCO)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,NCA:A:402,valid,,,,,c1cc(cnc1)C(=O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,5D7P,,,,,,,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,OCZ:B:403,valid,ic50,=,20,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,OCZ:B:404,valid,ic50,=,20,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,OCZ:A:404,valid,ic50,=,20,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,OCZ:A:403,valid,ic50,=,20,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,4RMI,,,,,,,
,,,GLU ALY ARG:B:87,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCCNC(=O)C)C([NH3+])CCC(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,3TK:A:402,valid,,,,,Cc1cc(nc(n1)SCC(=O)Nc2ncc(s2)Cc3ccccc3)C,
,,5Y0Z,,,,,,,
,,,8K9:B:502,valid,ic50,=,0.46,uM,CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O,
,,,8K9:A:502,valid,ic50,=,0.46,uM,CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OC[C@@H](CN2C[C@@H]3C[C@H](C2)C4=CC=CC(=O)N4C3)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,5YQN,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,L55:A:402,valid,ic50,=,93.7,uM,Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c3)NC(=O)c4cnn(c4)C)C,
,,5MAT,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7KJ:A:402,valid,ic50,=,0.58,uM,Cc1c(c(on1)C)CN[C@@H]2CCc3c(sc4c3C(=O)N(C=N4)Cc5ccc(c6c5cccc6)OC)C2,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,6QCN,,,,,,,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,QUE:A:403,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4Y6Q,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,HIS ALA SER ILE ASP ALA GLN:B:349,invalid,,,,,,
,,,HIS ALA SER ILE ASP ALA GLN:A:349,invalid,,,,,,
,,,OMR:C:502,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,OMR:D:502,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,OMR:B:502,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,OMR:A:502,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,HIS ALA SER ILE ASP ALA:D:349,invalid,,,,,,
,,,HIS ALA SER ILE ASP ALA:C:349,invalid,,,,,,
,,5D7Q,,,,,,,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,4I5:B:403,valid,ic50,=,2.8,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,,4I5:B:404,valid,ic50,=,2.8,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,,4I5:A:404,valid,ic50,=,2.8,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,,4I5:A:403,valid,ic50,=,2.8,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,5YQM,,,,,,,
,,,BME:A:405,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:A:403,invalid,,,,,C(CS)O,
,,,BME:A:406,invalid,,,,,C(CS)O,
,,,A2X:A:402,valid,,,,,Cc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)Sc3ccccc3)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,5G4C,,,,,,,
,,,CNA:B:1356,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,CNA:A:1357,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,ARG ALA ALA 6G4 THR:F:1,valid,Kd,=,13.7,uM,O=C(NC(C(=O)NC(C(=O)NC(CCCCNC(=O)CCC(=O)CCCCC)C1N(C(C=O)C(O)C)O1)C)C)C([NH3+])CCCNC(=[NH2+])N,
,,,ARG ALA ALA 6G4 THR:E:1,valid,Kd,=,13.7,uM,O=C(NC(C(=O)NC(C(=O)NC(CCCCNC(=O)CCC(=O)CCCCC)C1N(C(C=O)C(O)C)O1)C)C)C([NH3+])CCCNC(=[NH2+])N,
,,,ZN:A:1356,Part of Protein,,,,,[Zn+2],
,,5YQL,,,,,,,
,,,BME:A:1004,invalid,,,,,C(CS)O,
,,,BME:A:1003,invalid,,,,,C(CS)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,A2I:A:1001,valid,ic50,=,25.9,uM,Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccccc3)C,
,,5YQO,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,L5C:A:402,valid,ic50,=,0.815,uM,Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C)C,
,,5D7O,,,,,,,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,AR6:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6RXQ,,,,,,,
,,,KMQ:H:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:F:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:E:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:G:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,6RXR,,,,,,,
,,,KMQ:H:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:F:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:E:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,KMQ:G:101,valid,,,,,C/C=C/CO[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,Family. Representative Entry is ,5XOY,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LYS:A:401,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4JSR,,,,,,,
,,,1NQ:A:402,valid,ic50,=,0.004,uM,CCNC(=O)c1ccc(s1)C(=O)NCCC2CCN(CC2)c3c4c(cc(s4)C(=O)N)ncn3,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4FZ3,,,,,,,
,,,ACE ARG HIS LYS ALY MCM:B:800,valid,,,,,O=C(NC(C(=O)Nc1cc2OC(O)=CC(C)c2cc1)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCC[NH3+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4JT9,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,1NS:A:402,valid,ic50,=,0.0072,uM,CS(=O)(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2,
,,5BWO,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP:B:101,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)C(O)C)CO)CCCCNC(=O)CCCCCCCCCCCCCCC)CCCNC(=[NH2+])N)C)C([NH3+])C(O)C,
,,4JT8,,,,,,,
,,,1NR:A:402,valid,ic50,=,0.033,uM,CC(C)(C)C(=O)NCCC1CCN(CC1)c2c3c(cc(s3)C(=O)N)ncn2,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4BV3,,,,,,,
,,,NAD:A:1392,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CL:A:1400,invalid,,,,,[Cl-],
,,,NA:A:1399,Part of Protein,,,,,[Na+],
,,,NO3:A:1396,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,,OCZ:A:1394,valid,Kd,=,16.5,uM,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,APR:A:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:1395,Part of Protein,,,,,[Zn+2],
,,4BVH,,,,,,,
,,,OCZ:A:1393,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,OCZ:B:1392,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,OCZ:C:1394,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,EDO:C:1399,invalid,,,,,C(CO)O,
,,,EDO:B:1395,invalid,,,,,C(CO)O,
,,,EDO:C:1396,invalid,,,,,C(CO)O,
,,,EDO:B:1394,invalid,,,,,C(CO)O,
,,,EDO:C:1398,invalid,,,,,C(CO)O,
,,,CL:B:1397,invalid,,,,,[Cl-],
,,,CL:A:1397,invalid,,,,,[Cl-],
,,,OAD:C:1395,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,OAD:A:1394,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ZN:B:1396,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1395,Part of Protein,,,,,[Zn+2],
,,,NA:A:1396,Part of Protein,,,,,[Na+],
,,,GOL:C:1397,invalid,,,,,C(C(CO)O)O,
,,,AR6:B:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,4C7B,,,,,,,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,,ARG HIS LYS FDL:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)Nc1cc2OC(=O)C=C(C)c2cc1)CCCCNC(=O)C)CCCC[NH3+])Cc1nc[nH]c1)C([NH3+])CCCNC(=[NH2+])N,
,,,BVB:A:1395,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br,
,,,ZN:A:1394,Part of Protein,,,,,[Zn+2],
,,,IPA:A:1396,invalid,,,,,CC(C)O,
,,4C78,,,,,,,
,,,THR ARG SER GLY ALY VAL MET ARG ARG LEU:C:3,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CN)CCCCNC(=O)C)C(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C,
,,,ZN:A:1396,Part of Protein,,,,,[Zn+2],
,,,BVB:A:1395,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br,
,,5BWN,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GLN THR ALA ARG MYK SER THR GLY GLY TRP:B:2,valid,,,,,O=C(NCC(=O)NCC(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)C)CCCNC(=[NH2+])N)CCCCNC(=O)CCCCCCCCCCCCC)CO)C(O)C,
,,4BN4,,,,,,,
,,,NA:A:1394,Part of Protein,,,,,[Na+],
,,,OP2:A:1396,invalid,,,,,C(COCCOCCOCCOCCOCC(=O)O)O,
,,,ZN:A:1393,Part of Protein,,,,,[Zn+2],
,,,AR6:A:1395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,4BVE,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,EDO:A:1399,invalid,,,,,C(CO)O,
,,,ZN:A:1395,Part of Protein,,,,,[Zn+2],
,,,PEG:A:1397,invalid,,,,,C(COCCO)O,
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THR ARG SER GLY FZN VAL MET ARG ARG LEU:B:0,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CO)CCCCN=C(SC1C(O)C(O)C(COP(=O)(OP(=O)(OCC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])[O-])O1)C)C(C)C)C(=O)NC(C=O)CCCNC(=[NH2+])N)C,
,,4BVB,,,,,,,
,,,OCZ:A:1395,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,AR6:A:1396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ZN:A:1397,Part of Protein,,,,,[Zn+2],
,,4FVT,,,,,,,
,,,CNA:A:401,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,SER GLY ALY VAL NLE:B:3,invalid,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4ZFL,,,,,,,
,,,4NK:K:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:J:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:C:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:D:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:L:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:A:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:G:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:B:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:F:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:I:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:E:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,4NK:H:301,valid,,,,,C[N+](C)(C)[C@@H](Cc1c[nH]c(n1)S(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+])C(=O)O,
,,,GOL:I:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,4ZFK,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,GLN:B:311,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:A:305,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:D:306,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:C:309,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4BUZ,,,,,,,
,,,NAD:A:1248,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1250,Part of Protein,,,,,[Zn+2],
,,,OAD:A:1249,valid,,,,,CC(=O)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,,,ARG HIS LYS ALY LEU MET PHE LYS:P:379,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCC[NH3+])CCCCNC(=O)C)CC(C)C)C(=O)NC(C=O)Cc1ccccc1)C,
,,,OCZ:A:1247,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCC3)C(=O)N,
,,,EDO:A:1251,invalid,,,,,C(CO)O,
,,3D4B,,,,,,,
,,,DZD:A:1002,valid,,,,,c1cc(cc(c1)C(=O)N)CN2C[C@@H]([C@H](C2)O)CO[P@@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,THR SER ARG HIS LYS ALY LEU MET ALA:D:6,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CO)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCC[NH3+])CCCCNC(=O)C)CC(C)C)C(=O)NC(C(=O)[O-])C)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3D81,,,,,,,
,,,SER ARG HIS LYS FZN LEU MET PHE:C:7,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCC[NH3+])=CCCCN=C(SC1C(O)C(O)C(COP(=O)(OP(=O)(OCC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])[O-])O1)C)CC(C)C)C(=O)NC(C(=O)[O-])Cc1ccccc1)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5G1C,,,,,,,
,,,PEG:A:375,invalid,,,,,C(COCCO)O,
,,,PEG:A:378,invalid,,,,,C(COCCO)O,
,,,PEG:B:376,invalid,,,,,C(COCCO)O,
,,,PEG:B:377,invalid,,,,,C(COCCO)O,
,,,PEG:A:376,invalid,,,,,C(COCCO)O,
,,,PEG:B:375,invalid,,,,,C(COCCO)O,
,,,PEG:A:377,invalid,,,,,C(COCCO)O,
,,,K:B:372,Part of Protein,,,,,[K+],
,,,K:A:371,Part of Protein,,,,,[K+],
,,,K:A:372,Part of Protein,,,,,[K+],
,,,K:B:371,Part of Protein,,,,,[K+],
,,,ZN:B:370,Part of Protein,,,,,[Zn+2],
,,,ZN:A:370,Part of Protein,,,,,[Zn+2],
,,,1PE:A:374,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:374,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,9RB:A:373,valid,ic50,=,0.14,uM,Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,9RB:B:373,valid,ic50,=,0.14,uM,Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,1ZZ1,,,,,,,
,,,K:A:2449,Part of Protein,,,,,[K+],
,,,K:A:2450,Part of Protein,,,,,[K+],
,,,K:B:2549,Part of Protein,,,,,[K+],
,,,K:B:2550,Part of Protein,,,,,[K+],
,,,K:C:2649,Part of Protein,,,,,[K+],
,,,K:C:2650,Part of Protein,,,,,[K+],
,,,K:D:2749,Part of Protein,,,,,[K+],
,,,K:D:2750,Part of Protein,,,,,[K+],
,,,SHH:A:2452,valid,ic50,=,0.95,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:B:2552,valid,ic50,=,0.95,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:C:2652,valid,ic50,=,0.95,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,SHH:D:2752,valid,ic50,=,0.95,uM,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,ZN:A:2451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2551,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2651,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2751,Part of Protein,,,,,[Zn+2],
,,2GH6,,,,,,,
,,,CF3:A:9452,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F,
,,,CF3:B:9552,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F,
,,,CF3:C:9652,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F,
,,,CF3:D:9752,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)C(F)(F)F,
,,,K:A:9449,Part of Protein,,,,,[K+],
,,,K:A:9450,Part of Protein,,,,,[K+],
,,,K:B:9549,Part of Protein,,,,,[K+],
,,,K:B:9550,Part of Protein,,,,,[K+],
,,,K:C:9649,Part of Protein,,,,,[K+],
,,,K:C:9650,Part of Protein,,,,,[K+],
,,,K:D:9749,Part of Protein,,,,,[K+],
,,,K:D:9750,Part of Protein,,,,,[K+],
,,,ZN:A:9451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:9551,Part of Protein,,,,,[Zn+2],
,,,ZN:C:9651,Part of Protein,,,,,[Zn+2],
,,,ZN:D:9751,Part of Protein,,,,,[Zn+2],
,,2VCG,,,,,,,
,,,CL:D:1382,invalid,,,,,[Cl-],
,,,GOL:C:1376,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1376,invalid,,,,,C(C(CO)O)O,
,,,K:A:1376,Part of Protein,,,,,[K+],
,,,K:A:1377,Part of Protein,,,,,[K+],
,,,K:B:1377,Part of Protein,,,,,[K+],
,,,K:B:1378,Part of Protein,,,,,[K+],
,,,K:C:1378,Part of Protein,,,,,[K+],
,,,K:C:1379,Part of Protein,,,,,[K+],
,,,K:D:1379,Part of Protein,,,,,[K+],
,,,K:D:1380,Part of Protein,,,,,[K+],
,,,S17:A:1378,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO,
,,,S17:B:1379,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO,
,,,S17:C:1380,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO,
,,,S17:D:1381,valid,,,,,COC(=O)[C@H](Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)NO,
,,,ZN:A:1375,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1377,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1377,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1378,Part of Protein,,,,,[Zn+2],
,,5G17,,,,,,,
,,,K:B:372,Part of Protein,,,,,[K+],
,,,K:A:371,Part of Protein,,,,,[K+],
,,,K:A:372,Part of Protein,,,,,[K+],
,,,K:B:371,Part of Protein,,,,,[K+],
,,,ZN:A:370,Part of Protein,,,,,[Zn+2],
,,,ZN:B:370,Part of Protein,,,,,[Zn+2],
,,,6DK:B:373,valid,Kd,=,0.2,uM,c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O,
,,,6DK:A:373,valid,Kd,=,0.2,uM,c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O,
,,1ZZ3,,,,,,,
,,,3YP:A:1452,valid,ic50,=,0.29,uM,C1CCC(C1)CCC(=O)NO,
,,,3YP:B:1552,valid,ic50,=,0.29,uM,C1CCC(C1)CCC(=O)NO,
,,,3YP:C:1652,valid,ic50,=,0.29,uM,C1CCC(C1)CCC(=O)NO,
,,,3YP:D:1752,valid,ic50,=,0.29,uM,C1CCC(C1)CCC(=O)NO,
,,,K:A:1449,Part of Protein,,,,,[K+],
,,,K:A:1450,Part of Protein,,,,,[K+],
,,,K:B:1549,Part of Protein,,,,,[K+],
,,,K:B:1550,Part of Protein,,,,,[K+],
,,,K:C:1649,Part of Protein,,,,,[K+],
,,,K:C:1650,Part of Protein,,,,,[K+],
,,,K:D:1749,Part of Protein,,,,,[K+],
,,,K:D:1750,Part of Protein,,,,,[K+],
,,,ZN:A:1451,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1551,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1651,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1751,Part of Protein,,,,,[Zn+2],
,,5G1A,,,,,,,
,,,PEG:A:375,invalid,,,,,C(COCCO)O,
,,,PEG:A:378,invalid,,,,,C(COCCO)O,
,,,PEG:A:379,invalid,,,,,C(COCCO)O,
,,,PEG:B:376,invalid,,,,,C(COCCO)O,
,,,PEG:B:377,invalid,,,,,C(COCCO)O,
,,,PEG:A:376,invalid,,,,,C(COCCO)O,
,,,PEG:B:375,invalid,,,,,C(COCCO)O,
,,,PEG:A:377,invalid,,,,,C(COCCO)O,
,,,K:A:371,Part of Protein,,,,,[K+],
,,,K:B:372,Part of Protein,,,,,[K+],
,,,K:A:372,Part of Protein,,,,,[K+],
,,,K:B:371,Part of Protein,,,,,[K+],
,,,7H1:B:373,valid,Kd,=,0.27,uM,c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,
,,,7H1:A:373,valid,Kd,=,0.27,uM,c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,
,,,ZN:B:370,Part of Protein,,,,,[Zn+2],
,,,ZN:A:370,Part of Protein,,,,,[Zn+2],
,,,1PE:A:374,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:374,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5G3W,,,,,,,
,,,PEG:A:375,invalid,,,,,C(COCCO)O,
,,,PEG:C:376,invalid,,,,,C(COCCO)O,
,,,PEG:C:374,invalid,,,,,C(COCCO)O,
,,,PEG:A:373,invalid,,,,,C(COCCO)O,
,,,PEG:B:376,invalid,,,,,C(COCCO)O,
,,,PEG:D:374,invalid,,,,,C(COCCO)O,
,,,PEG:D:375,invalid,,,,,C(COCCO)O,
,,,PEG:B:375,invalid,,,,,C(COCCO)O,
,,,PEG:D:376,invalid,,,,,C(COCCO)O,
,,,PEG:A:374,invalid,,,,,C(COCCO)O,
,,,PEG:B:373,invalid,,,,,C(COCCO)O,
,,,K:B:372,Part of Protein,,,,,[K+],
,,,K:A:371,Part of Protein,,,,,[K+],
,,,K:C:371,Part of Protein,,,,,[K+],
,,,K:A:372,Part of Protein,,,,,[K+],
,,,K:B:371,Part of Protein,,,,,[K+],
,,,K:D:372,Part of Protein,,,,,[K+],
,,,K:C:372,Part of Protein,,,,,[K+],
,,,K:D:371,Part of Protein,,,,,[K+],
,,,C65:C:373,valid,,,,,c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,C65:A:376,valid,,,,,c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,C65:B:377,valid,,,,,c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,C65:D:373,valid,,,,,c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,1PE:C:375,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:374,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ZN:B:370,Part of Protein,,,,,[Zn+2],
,,,ZN:A:370,Part of Protein,,,,,[Zn+2],
,,,ZN:C:370,Part of Protein,,,,,[Zn+2],
,,,ZN:D:370,Part of Protein,,,,,[Zn+2],
,,6GJK,,,,,,,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:B:411,invalid,,,,,CC(=O)[O-],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:B:402,Part of Protein,,,,,[K+],
,,,F0Z:A:407,invalid,,,,,c1ccc(c(c1)C2=NCCCN2)S,
,,,F0Z:B:410,invalid,,,,,c1ccc(c(c1)C2=NCCCN2)S,
,,,F0Z:B:409,invalid,,,,,c1ccc(c(c1)C2=NCCCN2)S,
,,,F0Z:A:408,invalid,,,,,c1ccc(c(c1)C2=NCCCN2)S,
,,,MLT:A:410,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1S5P,,,,,,,
,,,LYS GLY GLY ALA ALY ARG HIS ARG:B:12,valid,Kd,=,0.44,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C([NH3+])CCCC[NH3+])C)CCCCNC(=O)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2OD9,,,,,,,
,,,A1R NCA:A:1001,valid,,,,,P(=O)(OP(=O)(OCC1[C-](O)[C-]23([O-])[N+]45C2([NH2+]1)C4C(C(=O)N)=CC[C-]35)[O-])(OCC1C(O)C(O)C(n2c3NC[NH2+]C([NH3+])c3nc2)O1)[O-],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,2OD7,,,,,,,
,,,A1R:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,2OD2,,,,,,,
,,,CNA:A:1001,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,GOL:A:1989,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1990,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1991,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1992,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5NC9,,,,,,,
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,PGE:D:303,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,8SZ:B:301,valid,,,,,C(CCN)C[C@@H](C(=O)NO)N,
,,,8SZ:C:301,valid,,,,,C(CCN)C[C@@H](C(=O)NO)N,
,,,8SZ:A:301,valid,,,,,C(CCN)C[C@@H](C(=O)NO)N,
,,,8SZ:D:301,valid,,,,,C(CCN)C[C@@H](C(=O)NO)N,
,,,CIT:B:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5NCD,,,,,,,
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,AHL:B:301,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)NO)N,
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:D:301,invalid,,,,,CC(=O)[O-],
,,,CIT:B:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5OJ7,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,5OJN,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,9X8:A:402,valid,,,,,CC(=S)O[C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O,
,Family. Representative Entry is ,5O6Y,,,,,,,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,PEG:D:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:307,invalid,,,,,C(COCCO)O,
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,PEG:D:305,invalid,,,,,C(COCCO)O,
,,,PEG:C:309,invalid,,,,,C(COCCO)O,
,,,PEG:C:308,invalid,,,,,C(COCCO)O,
,,,PEG:B:306,invalid,,,,,C(COCCO)O,
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,,PEG:D:304,invalid,,,,,C(COCCO)O,
,,,PEG:B:308,invalid,,,,,C(COCCO)O,
,,,NA:C:312,invalid,,,,,[Na+],
,,,NA:B:312,invalid,,,,,[Na+],
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,NA:B:315,invalid,,,,,[Na+],
,,,NA:A:314,invalid,,,,,[Na+],
,,,NA:B:313,invalid,,,,,[Na+],
,,,NA:D:307,Part of Protein,,,,,[Na+],
,,,NA:B:316,invalid,,,,,[Na+],
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,,NA:B:310,Part of Protein,,,,,[Na+],
,,,NA:C:313,Part of Protein,,,,,[Na+],
,,,NA:B:317,invalid,,,,,[Na+],
,,,NA:A:315,invalid,,,,,[Na+],
,,,NA:B:314,Part of Protein,,,,,[Na+],
,,,NA:C:310,invalid,,,,,[Na+],
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:B:309,invalid,,,,,[Na+],
,,,NA:B:311,invalid,,,,,[Na+],
,,,NA:A:316,Part of Protein,,,,,[Na+],
,,,NA:C:311,invalid,,,,,[Na+],
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:D:309,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:B:318,invalid,,,,,[Cl-],
,,,CL:B:319,invalid,,,,,[Cl-],
,,,5YA:B:302,valid,,,,,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:A:304,valid,,,,,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:D:302,valid,,,,,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,5YA:C:305,valid,,,,,c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO,
,,,ZN:D:308,invalid,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:306,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6HOY,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:704,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:703,Part of Protein,,,,,[Zn+2],
,,,TSN:B:709,valid,Kd,=,33,uM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:A:409,valid,Kd,=,33,uM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AR6:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,6QCD,,,,,,,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,QUE:B:407,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:A:408,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,PGE:B:408,invalid,,,,,C(COCCOCCO)O,
,,6QCE,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,HW2:A:408,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,
,,,HW2:B:407,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,6QCH,,,,,,,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,HWB:A:410,valid,,,,,c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O,
,,,HWB:B:410,valid,,,,,c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O)O)O,
,,5MFZ,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,7M9:A:406,valid,,,,,c1ccc2c(c1)ccc(c2c3c4cccn4c5ccccc5n3)O,
,,5MFP,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,7M5:A:411,valid,,,,,c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4,
,,,7M5:B:410,valid,,,,,c1ccc2c(c1)nc(c3n2ccc3)c4cccnc4,
,,,PGE:B:407,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,6ZU4,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,115:B:403,valid,,,,,CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F,
,,5MF6,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,7M2:A:410,valid,Kd,=,38,uM,c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4,
,,,7M2:B:408,valid,Kd,=,38,uM,c1ccc-2c(c1)N[C@@H](c3n2ccc3)c4cccnc4,
,,,PGE:A:409,invalid,,,,,C(COCCOCCO)O,
,,5MGN,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,7N2:A:409,valid,,,,,c1ccc2c(c1)-n3cccc3[C@H](N2S(=O)(=O)c4cccc(c4)C(F)(F)F)c5cccnc5,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,6QCJ,,,,,,,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,XEG:A:407,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O,
,,,XEG:B:407,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O,
,Family. Representative Entry is ,6ULL,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,RWI:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P2T,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4KXQ,,,,,,,
,,,APR:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,BME:A:603,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,3RIY,,,,,,,
,,,NAD:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4J5R,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,A1R:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6EQS,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,BU2:B:410,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:D:406,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:B:409,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:B:408,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:C:406,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:A:409,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:A:408,invalid,,,,,C[C@@H](CCO)O,
,,,BU2:D:405,invalid,,,,,C[C@@H](CCO)O,
,,,BV8:D:402,invalid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7,
,,,BV8:B:402,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7,
,,,BV8:A:402,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7,
,,,BV8:C:402,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,2NYR,,,,,,,
,,,SVR:B:401,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,6LJN,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACY:B:102,invalid,,,,,CC(=O)O,
,,,HIS PHE SER LYS SIN MCM:B:1,valid,,,,,,
,,6LJK,,,,,,,
,,,NA:A:402,invalid,,,,,[Na+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,BE2 SER ALA ILE LYS SER NIY GLY SET GUA:B:1,valid,,,,,O=[N+]([O-])c1c(O)ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c2c(N)cccc2)CO)C)C(CC)C)CCCCNC(=O)CCCC(=O)[O-])CO)C(=O)NCC(=O)NC(C(=O)N)CO)c1,
,,6LJM,,,,,,,
,,,SER LEU GLY LYS SIN MCM:B:1,valid,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACY:B:102,invalid,,,,,CC(=O)O,
,,4G1C,,,,,,,
,,,ACE ALA VAL SLL CYS ALA NH2:D:0,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C(C)C)CCCCNC(=O)CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])C,
,,,ACE ALA VAL SLL CYS ALA NH2:E:0,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C(C)C)CCCCNC(=O)CCC(=O)[O-])C(=O)NC(C(=O)[NH3+])C,
,,,CNA:A:402,valid,,,,,c1cc(c[n+](c1)[C@@H]2C[C@@H]([C@H]([C@H]2O)O)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C(=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2QQF,,,,,,,
,,,A1R:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,2QQG,,,,,,,
,,,A1R NCA:A:1001,valid,,,,,P(=O)(OP(=O)(OCC1[C-](O)[C-]23([O-])[N+]45C2([NH2+]1)C4C(C(=O)N)=CC[C-]35)[O-])(OCC1C(O)C(O)C(n2c3NC[NH2+]C([NH3+])c3nc2)O1)[O-],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4I5I,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,4I5:B:601,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,,4I5:A:601,valid,,,,,c1cc2c(cc1Cl)c3c([nH]2)[C@H](CCCC3)C(=O)N,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3P3G,,,,,,,
,,,3P3:A:401,valid,Ki,=,0.18,nM,C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)O,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UKW:A:801,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3PS2,,,,,,,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UKW:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O,
,,,ZH4:A:401,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2cccc(c2)N)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3PS3,,,,,,,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,L53:A:401,valid,,,,,C[C@@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UKW:A:501,valid,,,,,C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#C)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4P7R,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,NAG NAG NAG NAG:B:1,valid,Kd,=,2.7,mM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,4P7Q,,,,,,,
,,,NAG:A:704,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:706,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:703,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,4P7N,,,,,,,
,,,GCS:A:702,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,GCS:A:703,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,GCS:A:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,Family. Representative Entry is ,3ZG6,,,,,,,
,,,APR:A:1296,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:1295,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1298,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6FLG,,,,,,,
,,,GZB VAL LEU DQK GLU TYR GLY VAL:C:1,valid,Ki,=,30.1,nM,S(C(C(=O)[O-])CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)c1ccccc1)C(C)C)CC(C)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C=O)C(C)C)Cc1ccc(O)cc1)CCC(=O)[O-])c1cc2c(cc1)cccc2,
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,DMS:B:401,invalid,,,,,CS(=O)C,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,6ENX,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,BJW:A:303,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc8,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,6EO0,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,BVT:C:303,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8,
,,,BVT:A:304,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8,
,,,BVT:B:303,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8,
,,,BVT:D:303,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)NCCC(=O)O)NC(=O)OCc8ccccc8,
,,,BV8:A:303,valid,,,,,CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/NCCC(=O)O)S[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)OCc7ccccc7,
,,4UTV,,,,,,,
,,,BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL:C:0,valid,Kd,=,8.2,uM,,
,,,ZN:B:1299,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1299,Part of Protein,,,,,[Zn+2],
,,,EPE:B:1300,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BEZ GLY VAL LEU LYS GLU TYR GLY VAL F9V:C:0,valid,Kd,=,8.2,uM,,
,,,DMS:B:1301,invalid,,,,,CS(=O)C,
,,,NA:B:1302,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1S7G,,,,,,,
,,,1PE:A:504,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2PE:B:501,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,APR:E:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,NAD:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,P6G:C:502,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:C:506,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:604,Part of Protein,,,,,[Zn+2],
,,,ZN:C:605,Part of Protein,,,,,[Zn+2],
,,,ZN:C:606,Part of Protein,,,,,[Zn+2],
,,,ZN:D:607,Part of Protein,,,,,[Zn+2],
,,,ZN:D:608,Part of Protein,,,,,[Zn+2],
,,,ZN:E:609,Part of Protein,,,,,[Zn+2],
,,1YC2,,,,,,,
,,,2PE:B:701,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:C:702,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,APR:E:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,NAD:A:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NCA:A:506,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:B:508,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:D:510,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:E:507,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:E:509,valid,,,,,c1cc(cnc1)C(=O)N,
,,,PG4:D:703,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:D:709,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:C:405,Part of Protein,,,,,[Zn+2],
,,,ZN:C:406,Part of Protein,,,,,[Zn+2],
,,,ZN:D:407,Part of Protein,,,,,[Zn+2],
,,,ZN:D:408,Part of Protein,,,,,[Zn+2],
,,,ZN:E:409,Part of Protein,,,,,[Zn+2],
4.1.2.20,,,,,,,,,
,Family. Representative Entry is ,1W3T,,,,,,,
,,,3GR:A:1297,valid,,,,,C([C@H](C=O)O)O,
,,,3GR:B:1297,valid,,,,,C([C@H](C=O)O)O,
,,,3GR:C:1297,valid,,,,,C([C@H](C=O)O)O,
,,,3GR:D:1297,valid,,,,,C([C@H](C=O)O)O,
,,,GOL:A:1298,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1298,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1298,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1298,invalid,,,,,C(C(CO)O)O,
,,,PYR:A:1296,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:B:1296,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:C:1296,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:D:1296,Part of Protein,,,,,CC(=O)C(=O)O,
,,,RSH:A:1295,invalid,,,,,C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,
,,,RSH:B:1295,invalid,,,,,C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,
,,,RSH:C:1295,invalid,,,,,C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,
,,,RSH:D:1295,invalid,,,,,C([C@H]([C@@H](CO)O)O)[C@@H](C(=O)O)O,
,Family. Representative Entry is ,2VWT,,,,,,,
,,,GOL:C:1258,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:302,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:302,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:302,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,4B5W,,,,,,,
,,,CA:A:1258,Part of Protein,,,,,[Ca+2],
,,,CA:C:1254,Part of Protein,,,,,[Ca+2],
,,,CA:D:1255,Part of Protein,,,,,[Ca+2],
,,,CA:E:1257,Part of Protein,,,,,[Ca+2],
,,,CA:F:1256,Part of Protein,,,,,[Ca+2],
,,,CO:A:1257,Part of Protein,,,,,[Co+2],
,,,CO:B:1254,Part of Protein,,,,,[Co+2],
,,,CO:C:1253,Part of Protein,,,,,[Co+2],
,,,CO:D:1254,Part of Protein,,,,,[Co+2],
,,,CO:E:1256,Part of Protein,,,,,[Co+2],
,,,CO:F:1255,Part of Protein,,,,,[Co+2],
,,,PYR:A:1259,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,,PYR:B:1255,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,,PYR:C:1255,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,,PYR:D:1256,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,,PYR:E:1258,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,,PYR:F:1257,valid,Kd,=,26.9,mM,CC(=O)C(=O)O,
,,4B5V,,,,,,,
,,,E8U:A:1253,valid,,,,,C(CC(=O)O)[C@H](CC(=O)C(=O)O)O,
,,,E8U:B:1254,valid,,,,,C(CC(=O)O)[C@H](CC(=O)C(=O)O)O,
,,,GOL:A:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1252,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1255,Part of Protein,,,,,[Mg+2],
,,,MG:B:1255,Part of Protein,,,,,[Mg+2],
,,,PYR:A:1252,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1253,valid,,,,,CC(=O)C(=O)O,
,,4B5T,,,,,,,
,,,2KT:A:4000,valid,,,,,CCC(=O)C(=O)O,
,,,2KT:B:4000,valid,,,,,CCC(=O)C(=O)O,
,,,CO:A:1000,Part of Protein,,,,,[Co+2],
,,,CO:B:1000,Part of Protein,,,,,[Co+2],
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,4B5S,,,,,,,
,,,3GR:A:1252,valid,,,,,C([C@H](C=O)O)O,
,,,CO:A:1253,Part of Protein,,,,,[Co+2],
,,,CO:B:1253,Part of Protein,,,,,[Co+2],
,,,GOL:B:1252,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1257,Part of Protein,,,,,[Mg+2],
,,,MG:B:1257,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1254,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1254,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:1256,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1256,valid,,,,,CC(=O)C(=O)O,
,,4B5U,,,,,,,
,,,CO:A:1000,Part of Protein,,,,,[Co+2],
,,,CO:B:1000,Part of Protein,,,,,[Co+2],
,,,GOL:A:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1252,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,PYR:A:4000,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:4000,valid,,,,,CC(=O)C(=O)O,
,,,SSN:A:4002,valid,,,,,C(CC(=O)O)C=O,
,,,SSN:B:4002,valid,,,,,C(CC(=O)O)C=O,
4.1.1.102,,,,,,,,,
,Family. Representative Entry is ,4ZA8,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,F5C:A:606,valid,,,,,C(=C/C(=O)O)c1c(c(c(c(c1F)F)F)F)F,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,FZZ:A:602,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,6EV7,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,4LU:A:604,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,6EVB,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,SCN:A:605,invalid,,,,,C(#N)[S-],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,6EV4,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,4ZA5,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,FZZ:A:602,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,6EVA,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,4MJ:A:604,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,4ZA7,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LV:A:606,valid,,,,,C/C(=Cc1ccccc1)/C(=O)O,
,,,FZZ:A:602,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,6EV9,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,BYN:A:604,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,6EV8,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,BYN:A:604,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C,
,,,SCN:A:605,invalid,,,,,C(#N)[S-],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,4ZA9,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,4MJ:A:601,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)C(=O)Cc5ccccc5)(C)C,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,6EVC,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,F5C:A:605,valid,,,,,C(=C/C(=O)O)c1c(c(c(c(c1F)F)F)F)F,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,6EV5,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,BYN:A:604,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C,
,,,SCN:A:605,invalid,,,,,C(#N)[S-],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,4ZA4,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,4ZAA,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,CO2:A:608,invalid,,,,,C(=O)=O,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,4M4:A:607,valid,,,,,COc1cc(ccc1O)C=C,
,,,4M4:A:606,valid,,,,,COc1cc(ccc1O)C=C,
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,FZZ:A:602,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,6EV3,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,FZZ:A:605,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,4ZAB,,,,,,,
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,4LW:A:606,valid,,,,,c1ccc(cc1)/C=C(/C(=O)O)F,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,FZZ:A:602,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,6EVD,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,BYN:A:603,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C,
,,,K:A:602,Part of Protein,,,,,[K+],
,,6EV6,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,FZZ:A:604,valid,,,,,Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,BYN:A:605,valid,,,,,Cc1cc2c3c(c1C)C(C[C@H](N3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)O)(C)C,
2.7.4.3,,,,,,,,,
,Family. Representative Entry is ,1AKY,,,,,,,
,,,AP5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,1DVR,,,,,,,
,,,ATF:A:230,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N,
,,,ATF:B:230,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(F)(F)P(=O)(O)O)O)O)O)N,
,,3AKY,,,,,,,
,,,AP5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,2AKY,,,,,,,
,,,AP5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:401,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4MKF,,,,,,,
,,,CA:B:307,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,AP5:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,1P3J,,,,,,,
,,,AP5:A:220,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:219,invalid,,,,,[Mg+2],
,,,ZN:A:218,Part of Protein,,,,,[Zn+2],
,,2EU8,,,,,,,
,,,AP5:A:1218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:1219,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,CA:B:1223,Part of Protein,,,,,[Ca+2],
,,,MG:A:1223,invalid,,,,,[Mg+2],
,,,MG:B:1222,invalid,,,,,[Mg+2],
,,,ZN:A:220,Part of Protein,,,,,[Zn+2],
,,,ZN:B:221,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4CVN,,,,,,,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ADP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CW7,,,,,,,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:G:1003,Part of Protein,,,,,[Mg+2],
,,,MG:E:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:G:1002,Part of Protein,,,,,[Mg+2],
,,,MG:E:1002,Part of Protein,,,,,[Mg+2],
,,,ATP:E:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4X8O,,,,,,,
,,,AP5:A:301,valid,Kd,=,250,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:301,valid,Kd,=,250,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,1E4Y,,,,,,,
,,,AP5:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,3HPR,,,,,,,
,,,AP5:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,6F7U,,,,,,,
,,,GCP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,1E4V,,,,,,,
,,,AP5:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,4X8L,,,,,,,
,,,AP5:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,1AKE,,,,,,,
,,,AP5:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,3HPQ,,,,,,,
,,,AP5:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,1ANK,,,,,,,
,,,AMP:A:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ANP:A:216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5G41,,,,,,,
,,,AP5:A:1216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:1215,Part of Protein,,,,,[Zn+2],
,,,MG:A:1217,invalid,,,,,[Mg+2],
,,5G40,,,,,,,
,,,AMP:A:1218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:1216,Part of Protein,,,,,[Zn+2],
,,,ADP:A:1217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5G3Z,,,,,,,
,,,MG:A:1218,invalid,,,,,[Mg+2],
,,,ZN:A:1216,Part of Protein,,,,,[Zn+2],
,,,AP5:A:1217,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,Family. Representative Entry is ,2RGX,,,,,,,
,,,AP5:A:806,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1S3G,,,,,,,
,,,AP5:A:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:219,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3FB4,,,,,,,
,,,AP5:A:0,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:217,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4MKG,,,,,,,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,AP5:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,4MKH,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,AP5:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5G3Y,,,,,,,
,,,ZN:A:1214,Part of Protein,,,,,[Zn+2],
,,,ADP:A:1216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1215,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2BWJ,,,,,,,
,,,AMP:B:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1199,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:F:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,CL:E:1199,invalid,,,,,[Cl-],
,,,CL:F:1200,invalid,,,,,[Cl-],
,,,CL:F:1201,invalid,,,,,[Cl-],
,,,SO4:A:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1ZIN,,,,,,,
,,,AP5:A:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,ZN:A:219,Part of Protein,,,,,[Zn+2],
,,1ZIP,,,,,,,
,,,AP5:A:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MN:A:220,invalid,,,,,[Mn+2],
,,,ZN:A:219,Part of Protein,,,,,[Zn+2],
,,1ZIO,,,,,,,
,,,AP5:A:218,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:220,invalid,,,,,[Mg+2],
,,,ZN:A:219,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3IIJ,,,,,,,
,,,ADP:A:173,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:176,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:177,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IIL,,,,,,,
,,,ADP:A:174,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LI:A:173,invalid,,,,,[Li+],
,,,MG:A:175,Part of Protein,,,,,[Mg+2],
,,,MG:A:176,Part of Protein,,,,,[Mg+2],
,,,MG:A:177,Part of Protein,,,,,[Mg+2],
,,,PO4:A:178,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:179,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:181,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IIM,,,,,,,
,,,DAT:A:175,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N,
,,,DTV:A:173,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,EPE:A:174,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,SO4:A:176,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:177,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:178,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:179,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Z83,,,,,,,
,,,AP5:A:631,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:C:633,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:632,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:641,Part of Protein,,,,,[Zn+2],
,,,ZN:B:642,Part of Protein,,,,,[Zn+2],
,,,ZN:B:643,Part of Protein,,,,,[Zn+2],
,,,ZN:C:621,Part of Protein,,,,,[Zn+2],
,,,ZN:C:644,Part of Protein,,,,,[Zn+2],
,,,ZN:C:645,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4NU0,,,,,,,
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,AP5:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,4W5J,,,,,,,
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:C:301,invalid,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,,AP5:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,Family. Representative Entry is ,2CDN,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:200,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6LN3,,,,,,,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:304,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3H86,,,,,,,
,,,AP5:A:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:B:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:C:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:G:193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,Family. Representative Entry is ,1KHT,,,,,,,
,,,AMP:B:2193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:3193,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
2.6.99.4,,,,,,,,,
,Family. Representative Entry is ,4YDU,,,,,,,
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,ACT:D:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:D:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,4WQ4,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,PEG:D:301,invalid,,,,,C(COCCO)O,
,,,PEG:C:302,invalid,,,,,C(COCCO)O,
,,4WQ5,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,ACT:D:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FE:B:402,Part of Protein,,,,,[Fe+3],
,,,ATP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
6.3.2.1,,,,,,,,,
,Family. Representative Entry is ,3GUZ,,,,,,,
,,,PAF:A:177,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,PAF:A:178,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,PAF:B:177,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,Family. Representative Entry is ,3COW,,,,,,,
,,,52H:A:401,valid,Kd,=,0.125,uM,CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,52H:B:402,valid,Kd,=,0.125,uM,CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,EOH:A:709,invalid,,,,,CCO,
,,,EOH:B:710,invalid,,,,,CCO,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,3IVG,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EOH:A:304,invalid,,,,,CCO,
,,,EOH:A:305,invalid,,,,,CCO,
,,,EOH:A:306,invalid,,,,,CCO,
,,,EOH:B:303,invalid,,,,,CCO,
,,,EOH:B:304,invalid,,,,,CCO,
,,,EOH:B:422,invalid,,,,,CCO,
,,,FG5:B:305,valid,Kd,=,50,uM,COc1ccc2c(c1)cc(n2CC(=O)O)CNS(=O)(=O)c3cc4ccccc4o3,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,2A84,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ATP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG A:1001:0,invalid,,,,,,
,,1N2O,,,,,,,
,,,BAL:A:802,valid,,,,,C(CN)C(=O)O,
,,,BAL:B:801,valid,,,,,C(CN)C(=O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N2E,,,,,,,
,,,APC:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,EOH:A:704,invalid,,,,,CCO,
,,,EOH:B:701,invalid,,,,,CCO,
,,,EOH:B:702,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,MG:B:901,invalid,,,,,[Mg+2],
,,,PAF:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IMC,,,,,,,
,,,BZ3:A:702,valid,Kd,=,1100,uM,COc1ccc2c(c1)cc[nH]2,
,,,BZ3:B:701,valid,Kd,=,1100,uM,COc1ccc2c(c1)cc[nH]2,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,EOH:A:712,invalid,,,,,CCO,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4G5Y,,,,,,,
,,,EOH:B:406,invalid,,,,,CCO,
,,,EOH:A:406,invalid,,,,,CCO,
,,,EOH:B:407,invalid,,,,,CCO,
,,,EOH:A:405,invalid,,,,,CCO,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,0OC:A:403,valid,Kd,=,1.69,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,0OC:B:403,valid,Kd,=,1.69,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,0OC:B:404,valid,Kd,=,1.69,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,3IOD,,,,,,,
,,,A6D:A:302,valid,Kd,=,80,uM,c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,A6D:B:301,valid,Kd,=,80,uM,c1cc(cc(c1)[N+](=O)[O-])CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,EOH:B:712,invalid,,,,,CCO,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3COY,,,,,,,
,,,53H:A:301,valid,Kd,=,0.96,uM,CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,53H:B:302,valid,Kd,=,0.96,uM,CC(C)(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,EOH:B:712,invalid,,,,,CCO,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,3IUB,,,,,,,
,,,EDO:A:692,invalid,,,,,C(CO)O,
,,,EDO:A:693,invalid,,,,,C(CO)O,
,,,EDO:A:694,invalid,,,,,C(CO)O,
,,,EDO:A:696,invalid,,,,,C(CO)O,
,,,EDO:A:698,invalid,,,,,C(CO)O,
,,,EDO:B:690,invalid,,,,,C(CO)O,
,,,EDO:B:695,invalid,,,,,C(CO)O,
,,,EDO:B:697,invalid,,,,,C(CO)O,
,,,EDO:B:699,invalid,,,,,C(CO)O,
,,,EDO:B:700,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EOH:A:689,invalid,,,,,CCO,
,,,EOH:A:691,invalid,,,,,CCO,
,,,FG2:A:302,valid,Kd,=,29,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC,
,,,FG2:A:303,valid,Kd,=,29,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC,
,,,FG2:B:302,valid,Kd,=,29,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[nH]2)OC,
,,3LE8,,,,,,,
,,,2B5:A:301,valid,Kd,=,860,nM,COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3,
,,,2B5:B:301,valid,Kd,=,860,nM,COc1ccc2c(c1)cc(n2CC(=O)O)CNC(=O)c3cc4ccccc4o3,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EOH:A:307,invalid,,,,,CCO,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,3ISJ,,,,,,,
,,,A8D:A:308,valid,Kd,=,210,uM,COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C,
,,,A8D:B:305,valid,Kd,=,210,uM,COc1ccc2c(c1)cc([nH]2)C(=O)NS(=O)(=O)C,
,,,EOH:A:301,invalid,,,,,CCO,
,,,EOH:A:302,invalid,,,,,CCO,
,,,EOH:A:303,invalid,,,,,CCO,
,,,EOH:A:304,invalid,,,,,CCO,
,,,EOH:B:301,invalid,,,,,CCO,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A86,,,,,,,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BAL:A:2001,valid,,,,,C(CN)C(=O)O,
,,,BAL:A:2002,valid,,,,,C(CN)C(=O)O,
,,,EOH:A:4004,invalid,,,,,CCO,
,,,EOH:A:4005,invalid,,,,,CCO,
,,,EOH:B:4001,invalid,,,,,CCO,
,,,EOH:B:4002,invalid,,,,,CCO,
,,,EOH:B:4003,invalid,,,,,CCO,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IOE,,,,,,,
,,,A7D:A:901,valid,Kd,=,540,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N,
,,,A7D:B:902,valid,Kd,=,540,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@H](CO)O)O)O)N,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4G5F,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,EOH:A:406,invalid,,,,,CCO,
,,,EOH:B:401,invalid,,,,,CCO,
,,,EOH:B:404,invalid,,,,,CCO,
,,,15N:A:403,valid,Kd,=,0.88,mM,c1ccc2c(c1)OC[C@@H](O2)C(=O)O,
,,,15N:B:402,valid,Kd,=,0.88,mM,c1ccc2c(c1)OC[C@@H](O2)C(=O)O,
,,,0JD:A:402,valid,Kd,=,0.7,mM,c1ccc2c(c1)OC[C@H](O2)C(=O)O,
,,,0JD:B:403,valid,Kd,=,0.7,mM,c1ccc2c(c1)OC[C@H](O2)C(=O)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,4EFK,,,,,,,
,,,EOH:B:406,invalid,,,,,CCO,
,,,EOH:A:407,invalid,,,,,CCO,
,,,EOH:B:407,invalid,,,,,CCO,
,,,EOH:B:405,invalid,,,,,CCO,
,,,EOH:B:408,invalid,,,,,CCO,
,,,EOH:A:405,invalid,,,,,CCO,
,,,EOH:A:404,invalid,,,,,CCO,
,,,0OC:A:402,valid,Kd,=,3.18,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,0OC:A:401,valid,Kd,=,3.18,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,0OC:B:401,valid,Kd,=,3.18,mM,CN(C)S(=O)(=O)c1ccsc1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMD:A:406,invalid,,,,,c1c[nH+]c[nH]1,
,,1N2B,,,,,,,
,,,APC:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,EOH:A:701,invalid,,,,,CCO,
,,,EOH:B:702,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,EOH:B:704,invalid,,,,,CCO,
,,,EOH:B:705,invalid,,,,,CCO,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MG:A:901,invalid,,,,,[Mg+2],
,,,MG:B:902,invalid,,,,,[Mg+2],
,,,PAF:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N2G,,,,,,,
,,,EOH:A:702,invalid,,,,,CCO,
,,,EOH:A:704,invalid,,,,,CCO,
,,,EOH:B:701,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,APC:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:901,invalid,,,,,[Mg+2],
,,,MG:B:902,invalid,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DDH,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,MS0:B:401,valid,Kd,=,0.48,mM,COc1ccc2c(c1)occ2CC(=O)O,
,,,MS0:A:403,valid,Kd,=,0.48,mM,COc1ccc2c(c1)occ2CC(=O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,EOH:B:403,invalid,,,,,CCO,
,,,EOH:A:401,invalid,,,,,CCO,
,,,EOH:A:402,invalid,,,,,CCO,
,,3COZ,,,,,,,
,,,54H:A:401,valid,Kd,=,2.7,uM,CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,54H:B:402,valid,Kd,=,2.7,uM,CC(C)[C@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:712,invalid,,,,,CCO,
,,,EOH:A:713,invalid,,,,,CCO,
,,,EOH:A:714,invalid,,,,,CCO,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N2H,,,,,,,
,,,EOH:A:701,invalid,,,,,CCO,
,,,EOH:B:702,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,EOH:B:704,invalid,,,,,CCO,
,,,EOH:B:705,invalid,,,,,CCO,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,PAJ:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PAJ:B:1002,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IOC,,,,,,,
,,,A5D:A:301,valid,Kd,=,210,uM,c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,A5D:B:302,valid,Kd,=,210,uM,c1ccc(cc1)CSSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,3IVC,,,,,,,
,,,EOH:B:336,invalid,,,,,CCO,
,,,EOH:B:342,invalid,,,,,CCO,
,,,FG4:A:302,valid,Kd,=,75,uM,COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3,
,,,FG4:B:302,valid,Kd,=,75,uM,COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3,
,,,GOL:A:335,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:338,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:340,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:334,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:339,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:341,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EF6,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EOH:A:403,invalid,,,,,CCO,
,,,EOH:A:401,invalid,,,,,CCO,
,,,EOH:A:409,invalid,,,,,CCO,
,,,EOH:A:402,invalid,,,,,CCO,
,,,EOH:A:408,invalid,,,,,CCO,
,,,I2E:A:404,valid,Kd,=,1.18,mM,c1cc2c(cc1CCC(=O)O)OCO2,
,,,I2E:B:406,valid,Kd,=,1.18,mM,c1cc2c(cc1CCC(=O)O)OCO2,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,4DDK,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,0HN:A:401,valid,Kd,=,5.13,mM,c1cc2c(cc1C(=O)O)OCO2,
,,,0HN:B:402,valid,Kd,=,5.13,mM,c1cc2c(cc1C(=O)O)OCO2,
,,,0HN:B:401,valid,Kd,=,5.13,mM,c1cc2c(cc1C(=O)O)OCO2,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EOH:B:405,invalid,,,,,CCO,
,,,EOH:A:404,invalid,,,,,CCO,
,,3IMG,,,,,,,
,,,BZ2:A:301,valid,,,,,c1ccc2c(c1)cc(o2)C(=O)O,
,,,BZ2:B:302,valid,,,,,c1ccc2c(c1)cc(o2)C(=O)O,
,,,BZ3:A:401,valid,,,,,COc1ccc2c(c1)cc[nH]2,
,,,BZ3:B:402,valid,,,,,COc1ccc2c(c1)cc[nH]2,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FZJ,,,,,,,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,EOH:B:406,invalid,,,,,CCO,
,,,EOH:B:407,invalid,,,,,CCO,
,,,EOH:A:401,invalid,,,,,CCO,
,,,EOH:B:409,invalid,,,,,CCO,
,,,EOH:A:402,invalid,,,,,CCO,
,,,EOH:B:408,invalid,,,,,CCO,
,,,EOH:A:403,invalid,,,,,CCO,
,,,0W1:B:402,valid,Kd,=,0.74,mM,Cc1c2cc(sc2n(n1)C)C(=O)O,
,,,0W1:B:401,valid,Kd,=,0.74,mM,Cc1c2cc(sc2n(n1)C)C(=O)O,
,,,0W1:A:405,valid,Kd,=,0.74,mM,Cc1c2cc(sc2n(n1)C)C(=O)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,1N2I,,,,,,,
,,,EOH:B:701,invalid,,,,,CCO,
,,,EOH:B:702,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,EOH:B:704,invalid,,,,,CCO,
,,,EOH:B:705,invalid,,,,,CCO,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,PAJ:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PAJ:B:1002,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IUE,,,,,,,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EOH:A:721,invalid,,,,,CCO,
,,,EOH:A:722,invalid,,,,,CCO,
,,,EOH:A:723,invalid,,,,,CCO,
,,,EOH:A:724,invalid,,,,,CCO,
,,,EOH:A:725,invalid,,,,,CCO,
,,,EOH:A:726,invalid,,,,,CCO,
,,,FG3:A:302,valid,Kd,=,1.5,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC,
,,,FG3:A:303,valid,Kd,=,1.5,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC,
,,,FG3:B:302,valid,Kd,=,1.5,uM,Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2CC(=O)O)OC,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:713,invalid,,,,,C(C(CO)O)O,
,,3IVX,,,,,,,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:532,invalid,,,,,C(CO)O,
,,,EDO:A:533,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EOH:A:304,invalid,,,,,CCO,
,,,EOH:A:305,invalid,,,,,CCO,
,,,EOH:A:306,invalid,,,,,CCO,
,,,EOH:A:504,invalid,,,,,CCO,
,,,EOH:B:505,invalid,,,,,CCO,
,,,FG6:A:302,valid,Kd,=,1.8,uM,COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3,
,,,FG6:A:303,valid,Kd,=,1.8,uM,COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3,
,,,FG6:B:302,valid,Kd,=,1.8,uM,COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3,
,,,GOL:A:534,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,2A7X,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DE5,,,,,,,
,,,0JD:B:401,valid,Kd,=,670,uM,c1ccc2c(c1)OC[C@H](O2)C(=O)O,
,,,0JD:A:401,valid,Kd,=,670,uM,c1ccc2c(c1)OC[C@H](O2)C(=O)O,
,,,EOH:B:402,invalid,,,,,CCO,
,,,EOH:A:404,invalid,,,,,CCO,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,1N2J,,,,,,,
,,,BAL:A:802,valid,,,,,C(CN)C(=O)O,
,,,BAL:B:801,valid,,,,,C(CN)C(=O)O,
,,,EOH:B:701,invalid,,,,,CCO,
,,,EOH:B:702,invalid,,,,,CCO,
,,,EOH:B:703,invalid,,,,,CCO,
,,,EOH:B:704,invalid,,,,,CCO,
,,,EOH:B:705,invalid,,,,,CCO,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,PAF:A:1001,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,PAF:B:1002,valid,,,,,CC(C)(CO)[C@H](C(=O)[O-])O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IME,,,,,,,
,,,BZ2:A:301,valid,Kd,=,1000,uM,c1ccc2c(c1)cc(o2)C(=O)O,
,,,BZ2:B:302,valid,Kd,=,1000,uM,c1ccc2c(c1)cc(o2)C(=O)O,
,,,EOH:A:703,invalid,,,,,CCO,
,,,EOH:A:704,invalid,,,,,CCO,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,4DDM,,,,,,,
,,,EOH:A:403,invalid,,,,,CCO,
,,,EOH:B:403,invalid,,,,,CCO,
,,,EOH:A:404,invalid,,,,,CCO,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,0HO:B:401,valid,Kd,=,3.48,mM,c1cc2c(cc1C(=O)O)nsn2,
,,,0HO:A:406,valid,Kd,=,3.48,mM,c1cc2c(cc1C(=O)O)nsn2,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,3IOB,,,,,,,
,,,A4D:A:301,valid,Kd,=,380,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N,
,,,A4D:B:302,valid,Kd,=,380,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CS)O)O)N,
,,,EOH:A:710,invalid,,,,,CCO,
,,,EOH:A:711,invalid,,,,,CCO,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2X3F,,,,,,,
,,,APC:A:1283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,SO4:A:1284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3AG6,,,,,,,
,,,ACY:A:801,invalid,,,,,CC(=O)O,
,,,ACY:B:802,invalid,,,,,CC(=O)O,
,,,PAJ:A:501,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PAJ:B:502,valid,,,,,CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,,,PG4:A:902,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:903,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:905,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:907,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:901,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:904,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:906,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:908,invalid,,,,,C(COCCOCCOCCO)O,
6.1.1.21,,,,,,,,,
,Family. Representative Entry is ,4YRI,,,,,,,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,4JH:A:502,valid,,,,,c1cc(cc(c1)Br)CN,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,4YRF,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,4HS:A:502,valid,,,,,C1=CC(=O)NC=C1Br,
,,4YRP,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,PZH:A:502,valid,,,,,c1cc(ccc1CN)Br,
,,,PZH:B:502,valid,,,,,c1cc(ccc1CN)Br,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,4YRC,,,,,,,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,0P6:A:502,valid,,,,,c1cc2ccc(nc2c(c1)O)N,
,,,0P6:A:503,valid,,,,,c1cc2ccc(nc2c(c1)O)N,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YRJ,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,4JJ:A:502,valid,,,,,c1cc(c(cc1Cl)N)N,
,,4YRQ,,,,,,,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4JQ:A:502,valid,,,,,c1cc2c(cc1N)C=CC(=O)O2,
,,4YP0,,,,,,,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5IQ:A:502,valid,,,,,c1cc2cnccc2c(c1)N,
,,4YRM,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,282:B:502,valid,,,,,COc1cccnc1,
,,,282:A:502,valid,,,,,COc1cccnc1,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YRL,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,4JM:A:502,valid,,,,,CSc1ccc(cc1)N,
,,4YPF,,,,,,,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,4FS:A:502,valid,,,,,c1ccc2c(c1)cc(cn2)N,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,4YRE,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,4HR:A:502,valid,,,,,c1ccc(c(c1)CO)Br,
,,,4HR:B:502,valid,,,,,c1ccc(c(c1)CO)Br,
,,4YRN,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,4JN:B:502,valid,,,,,c1cc(ncc1N)Br,
,,,4JN:A:502,valid,,,,,c1cc(ncc1N)Br,
,,4YRK,,,,,,,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,4JL:A:502,valid,,,,,c1cc(ccc1CO)Cl,
,,,4JL:B:502,valid,,,,,c1cc(ccc1CO)Cl,
,,4YRO,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,4JO:A:502,valid,,,,,Cc1c(ccc(n1)N)Br,
,,4YRR,,,,,,,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,691:B:502,valid,,,,,CC(=O)Nc1cc2ccccc2nc1,
,,,691:A:502,valid,,,,,CC(=O)Nc1cc2ccccc2nc1,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,4YRG,,,,,,,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,4HU:A:502,valid,,,,,c1cc(nc(c1)Br)CO,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
2.7.2.4,,,,,,,,,
,Family. Representative Entry is ,4GO7,,,,,,,
,,,THR:X:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2DT9,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,THR:B:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:B:402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2DTJ,,,,,,,
,,,CIT:B:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,THR:A:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:B:402,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,3C1M,,,,,,,
,,,ANP:C:473,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:472,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:473,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:473,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FMT:A:473,invalid,,,,,C(=O)O,
,,,FMT:A:474,invalid,,,,,C(=O)O,
,,,FMT:A:475,invalid,,,,,C(=O)O,
,,,FMT:A:476,invalid,,,,,C(=O)O,
,,,FMT:C:474,invalid,,,,,C(=O)O,
,,,FMT:D:474,invalid,,,,,C(=O)O,
,,,MG:C:471,invalid,,,,,[Mg+2],
,,,MG:A:1,invalid,,,,,[Mg+2],
,,,MG:B:471,invalid,,,,,[Mg+2],
,,,MG:D:471,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3AB4,,,,,,,
,,,LYS:A:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:E:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:G:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:K:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:M:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:O:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,THR:A:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:B:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:C:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:D:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:E:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:F:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:G:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:H:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:I:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:J:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:K:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:L:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:M:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:N:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:O:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:P:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,3AAW,,,,,,,
,,,LYS:A:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:601,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:C:701,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,THR:A:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:B:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:C:501,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:D:201,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2J0W,,,,,,,
,,,ADP:A:820,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ASP:A:502,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,CL:A:600,invalid,,,,,[Cl-],
,,,MG:A:900,invalid,,,,,[Mg+2],
4.1.3.23,,,,,,,,,
,Family. Representative Entry is ,2FFC,,,,,,,
,,,U5P:A:5203,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
6.4.1.3,,,,,,,,,
,Family. Representative Entry is ,3IB9,,,,,,,
,,,BTN:A:5600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5601,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:A:531,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:531,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XNY,,,,,,,
,,,BTN:A:5602,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5602,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,1VU:A:5601,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:B:5601,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4G2R,,,,,,,
,,,H1L:B:502,valid,Kd,=,35.8,uM,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl,
,,,H1L:A:502,valid,Kd,=,35.8,uM,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl,
,,,H1L:A:501,valid,Kd,=,35.8,uM,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl,
,,,H1L:B:501,valid,Kd,=,35.8,uM,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)C(F)(F)F)Cl,
,,6PK2,,,,,,,
,,,ORJ:A:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:F:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:D:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:E:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:C:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:G:502,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:G:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,,ORJ:B:501,valid,,,,,CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F,
,,6P7U,,,,,,,
,,,FTJ:C:501,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl,
,,,FTJ:D:501,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl,
,,,FTJ:A:501,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl,
,,,FTJ:B:501,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n2)Cl,
1.14.13.22,,,,,,,,,
,Family. Representative Entry is ,3UCL,,,,,,,
,,,CYH:A:543,valid,,,,,C1CCC(=O)CC1,
,,,FAD:A:541,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:542,valid,Ki,=,0.165,mM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3GWF,,,,,,,
,,,FAD:A:541,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:542,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4RG3,,,,,,,
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,BCN:A:604,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ECE:A:603,valid,,,,,C1CCC(=O)OCC1,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3GWD,,,,,,,
,,,FAD:A:541,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:542,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:543,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.1.4,,,,,,,,,
,Family. Representative Entry is ,2VAR,,,,,,,
,,,AMP:A:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ANP:A:1315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1315,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,KDF:A:1314,valid,,,,,C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O,
,,,KDF:B:1314,valid,,,,,C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O,
,,,KDF:C:1314,valid,,,,,C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O,
,,,KDG:A:1313,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:B:1313,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:C:1313,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,3LM9,,,,,,,
,,,ADP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FRU:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,3OHR,,,,,,,
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
3.2.1.37,,,,,,,,,
,Family. Representative Entry is ,5Z5I,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,FUB:A:602,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYP:A:604,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:605,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:A:603,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,5Z5F,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,FUB:A:602,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,5Z5H,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,XYS:A:602,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,5ZQS,,,,,,,
,,,XYP:A:602,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,5ZQX,,,,,,,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:G:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:F:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,3VSV,,,,,,,
,,,XYP:C:703,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:707,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:702,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:702,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:703,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:701,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:705,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:702,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:704,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:706,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:703,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:705,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:704,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:704,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:702,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:701,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:704,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:705,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:701,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:706,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:701,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:707,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:708,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:706,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:705,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:703,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:A:709,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:708,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:706,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:707,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:710,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:708,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:707,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:709,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:708,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,3VSU,,,,,,,
,,,XYP XYP:H:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:G:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:F:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,1PX8,,,,,,,
,,,XYP:A:601,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:701,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,2EXK,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2004,Part of Protein,,,,,[Ca+2],
,,,GOL:A:2016,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2017,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2018,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2019,invalid,,,,,C(C(CO)O)O,
,,,MES:A:2013,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2014,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:2015,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,XYS XYS:F:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:G:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:H:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,2EXJ,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,CA:C:2003,Part of Protein,,,,,[Ca+2],
,,,CA:D:2004,Part of Protein,,,,,[Ca+2],
,,,GOL:A:2016,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2017,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:2018,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2019,invalid,,,,,C(C(CO)O)O,
,,,MES:A:2013,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:2014,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:2015,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,XYS XYS:F:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:G:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
,,,XYS XYS:H:1,valid,,,,,O(C1C(O)C(O)C(O)OC1)C1C(O)C(O)C(O)OC1,
3.1.1.73,,,,,,,,,
,Family. Representative Entry is ,1UWC,,,,,,,
,,,FER:A:1262,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:A:1265,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:B:1262,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,NAG:A:262,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:262,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5CXX,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FER:B:301,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:C:301,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:A:301,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
2.1.2.3,,,,,,,,,
,Family. Representative Entry is ,5UY8,,,,,,,
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,AMZ:C:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:C:603,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:D:603,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:B:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:A:603,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:A:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:D:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,8UM:D:601,valid,ic50,<,5,nM,CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C,
,,,8UM:B:601,valid,ic50,<,5,nM,CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C,
,,,8UM:C:601,valid,ic50,<,5,nM,CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C,
,,,8UM:A:601,valid,ic50,<,5,nM,CC[C@]1(CC(=CNC1=O)c2ccc(s2)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O)C,
,,5UZ0,,,,,,,
,,,8US:B:601,valid,ic50,=,16,nM,c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O,
,,,8US:B:602,valid,ic50,=,16,nM,c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O,
,,,8US:D:601,valid,ic50,=,16,nM,c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O,
,,,8US:D:602,valid,ic50,=,16,nM,c1cc(sc1N2CC[C@H](C2)O)S(=O)(=O)Nc3cc4c(cc3F)C=CNC4=O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:D:605,Part of Protein,,,,,[Mg+2],
,,,AMZ:C:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:A:601,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:D:603,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:D:604,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:B:603,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:C:601,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:A:602,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,1PKX,,,,,,,
,,,K:A:2001,Part of Protein,,,,,[K+],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,K:C:2003,Part of Protein,,,,,[K+],
,,,K:D:2004,Part of Protein,,,,,[K+],
,,,XMP:A:1901,valid,Ki,=,0.12,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:C:1903,valid,Ki,=,0.12,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,4A1O,,,,,,,
,,,AMZ:A:1525,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:B:1525,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,JLN:A:1528,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O,
,,,K:A:1524,Part of Protein,,,,,[K+],
,,,K:B:1524,Part of Protein,,,,,[K+],
,,,PO4:A:1526,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1527,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1526,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ZZM,,,,,,,
,,,GOL:B:1525,invalid,,,,,C(C(CO)O)O,
,,,JLN:A:1526,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O,
,,,K:A:1525,Part of Protein,,,,,[K+],
,,,K:B:1524,Part of Protein,,,,,[K+],
,,,PO4:A:1524,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1OZ0,,,,,,,
,,,K:A:1004,Part of Protein,,,,,[K+],
,,,K:B:1003,Part of Protein,,,,,[K+],
,,,MS1:A:1002,valid,Kd,=,20,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)C=Cc4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N,
,,,MS1:B:1001,valid,Kd,=,20,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2ccc3c(n2)C(=O)NC(=N3)N)C(=O)C=Cc4c(ncn4[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)C(=O)N,
,,,PO4:A:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1M9N,,,,,,,
,,,AMZ:A:1001,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:B:1002,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,K:A:594,Part of Protein,,,,,[K+],
,,,K:B:594,Part of Protein,,,,,[K+],
,,,XMP:A:1003,valid,Ki,=,0.12,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:B:1004,valid,Ki,=,0.12,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,2B1G,,,,,,,
,,,13A:A:600,valid,Ki,=,0.23,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O,
,,,13A:D:601,valid,Ki,=,0.23,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
,,,K:C:1003,Part of Protein,,,,,[K+],
,,,K:D:1004,Part of Protein,,,,,[K+],
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1THZ,,,,,,,
,,,326:A:4001,valid,Ki,=,7.1,uM,Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,326:B:3001,valid,Ki,=,7.1,uM,Cc1cc(ccc1n2c(c(c(n2)C)/N=N/c3cc(ccc3C(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,K:A:5001,Part of Protein,,,,,[K+],
,,,K:B:5002,Part of Protein,,,,,[K+],
,,2B1I,,,,,,,
,,,93A:A:600,valid,Ki,=,0.15,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O,
,,,93A:A:701,valid,Ki,=,0.15,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O,
,,,93A:B:601,valid,Ki,=,0.15,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O,
,,,93A:B:700,valid,Ki,=,0.15,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O,
,,,K:A:901,Part of Protein,,,,,[K+],
,,,K:B:902,Part of Protein,,,,,[K+],
,,1G8M,,,,,,,
,,,G:A:2001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:B:1002,Part of Protein,,,,,[K+],
1.3.1.34,,,,,,,,,
,Family. Representative Entry is ,1W73,,,,,,,
,,,GOL:A:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1328,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4FC7,,,,,,,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4FC6,,,,,,,
,,,HXC:A:402,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:B:402,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:C:301,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:D:402,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1W6U,,,,,,,
,,,HXC:A:1330,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:B:1331,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:C:1330,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:D:1329,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:A:1329,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1329,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1328,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1W8D,,,,,,,
,,,GOL:A:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1328,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1329,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1329,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1PS9,,,,,,,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:A:706,invalid,,,,,[Cl-],
,,,CL:A:707,invalid,,,,,[Cl-],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MDE:A:704,valid,,,,,CCCCC[C@@H](CC=CC(=O)SCCNC(=O)CCNC(C(=O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)[n+]2c[nH]c3c2ncnc3N)O)OP(=O)(O)O)O)SCC=O,
,,,NAP:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SF4:A:700,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.2.1.-,,,,,,,,,
,Family. Representative Entry is ,3R4Z,,,,,,,
,,,GLA:A:375,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:375,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6G09,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,6G0B,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,6G0N,,,,,,,
,,,XYP XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4CA5,,,,,,,
,,,PEG:A:1103,invalid,,,,,C(COCCO)O,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ACT:A:1100,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1102,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1101,invalid,,,,,CC(=O)[O-],
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG:A:1632,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,3EF:A:1700,valid,Ki,=,0.41,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,6F9U,,,,,,,
,,,BO3:A:712,invalid,,,,,B(O)(O)O,
,,,ZN:A:707,Part of Protein,,,,,[Zn+2],
,,,1PE:A:710,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NAG NAG FUC BMA MAN:B:1,invalid,,,,,,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,CL:A:709,invalid,,,,,[Cl-],
,,,CL:A:708,invalid,,,,,[Cl-],
,,,IMD:A:713,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:714,invalid,,,,,c1c[nH+]c[nH]1,
,,,NAG:A:706,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,D0W:A:711,valid,,,,,CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,PEG:A:721,invalid,,,,,C(COCCO)O,
,,1UZF,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,MCO:A:702,valid,,,,,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,NAG:A:691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:693,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3BKK,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,KAF:A:704,valid,Ki,=,0.83,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCC([C@H](Cc2ccccc2)NC(=O)c3ccccc3)(O)O,
,,,NAG:A:691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1O8A,,,,,,,
,,,ACT:A:700,invalid,,,,,CC(=O)[O-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,NAG:A:691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:692,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:693,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:694,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:696,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:695,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NXA:A:702,valid,,,,,C[C@@H](C(=O)O)NC(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,2XY9,,,,,,,
,,,3ES:A:1635,valid,Ki,=,0.65,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,3ES:A:1636,valid,Ki,=,0.65,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,ACT:A:1625,invalid,,,,,CC(=O)[O-],
,,,CL:A:1626,invalid,,,,,[Cl-],
,,,CL:A:1627,invalid,,,,,[Cl-],
,,,EPE:A:1634,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1631,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA:B:1,Part of Protein,,,,,,
,,,ZN:A:1628,Part of Protein,,,,,[Zn+2],
,,3L3N,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,LSW:A:1,valid,,,,,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O,
,,,NAG NAG FUC:B:1,Part of Protein,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1UZE,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,EAL:A:3002,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O,
,,,GLY:A:2000,valid,,,,,C(C(=O)O)N,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,6H5W,,,,,,,
,,,ZN:A:707,Part of Protein,,,,,[Zn+2],
,,,P6G:A:717,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,FT8:A:712,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,FT8:A:711,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,FT8:A:710,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,NAG NAG BMA FUC:C:1,invalid,,,,,,
,,,BO3:A:715,invalid,,,,,B(O)(O)O,
,,,BO3:A:714,invalid,,,,,B(O)(O)O,
,,,BO3:A:716,invalid,,,,,B(O)(O)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:709,invalid,,,,,[Cl-],
,,,CL:A:708,invalid,,,,,[Cl-],
,,,IMD:A:713,invalid,,,,,c1c[nH+]c[nH]1,
,,4BZR,,,,,,,
,,,ZN:A:1630,Part of Protein,,,,,[Zn+2],
,,,K26:A:1627,valid,,,,,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,,,PE4:A:1626,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,CL:A:1628,invalid,,,,,[Cl-],
,,,CL:A:1629,invalid,,,,,[Cl-],
,,,NAG NAG FUC BMA:B:1,invalid,,,,,,
,,,ACT:A:1625,invalid,,,,,CC(=O)[O-],
,,,NAG:A:1672,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4APH,,,,,,,
,,,ACT:A:1634,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1635,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1636,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1637,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1638,invalid,,,,,CC(=O)[O-],
,,,ASP ARG VAL TYR ILE HIS PRO PHE:P:1,valid,Ki,=,4,uM,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCCNC(=[NH2+])N)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,,CL:A:1626,invalid,,,,,[Cl-],
,,,CL:A:1628,invalid,,,,,[Cl-],
,,,NAG:A:1630,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PE4:A:1629,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,ZN:A:1627,Part of Protein,,,,,[Zn+2],
,,2YDM,,,,,,,
,,,CL:A:1620,invalid,,,,,[Cl-],
,,,CL:A:1621,invalid,,,,,[Cl-],
,,,NAG:A:1622,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SLC:A:1626,valid,ic50,=,36.4,nM,C=C(C[SeH])C(=O)N1CCCC1C(=O)O,
,,,ZN:A:1619,Part of Protein,,,,,[Zn+2],
,,1O86,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GLY:A:2000,valid,,,,,C(C(=O)O)N,
,,,LPR:A:702,valid,,,,,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,6F9T,,,,,,,
,,,NAG:C:7,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:711,Part of Protein,,,,,[Zn+2],
,,,BO3:A:717,invalid,,,,,B(O)(O)O,
,,,D0Z:A:712,valid,,,,,CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,PEG:A:722,invalid,,,,,C(COCCO)O,
,,,PEG:A:721,invalid,,,,,C(COCCO)O,
,,,PEG:A:723,invalid,,,,,C(COCCO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,IMD:A:715,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:716,invalid,,,,,c1c[nH+]c[nH]1,
,,,PGE:A:724,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:713,invalid,,,,,[Cl-],
,,,CL:A:714,invalid,,,,,[Cl-],
,,,NAG NAG FUC BMA MAN MAN NAG:C:1,invalid,,,,,,
,,3BKL,,,,,,,
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:706,invalid,,,,,CC(=O)[O-],
,,,ACT:A:708,invalid,,,,,CC(=O)[O-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,KAW:A:800,valid,Ki,=,0.679,uM,c1ccc(cc1)C[C@@H](C(CCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)(O)O)NC(=O)c4ccccc4,
,,,NAG:A:691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,4C2P,,,,,,,
,,,ACT:A:710,invalid,,,,,CC(=O)[O-],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,NAG NAG FUC BMA:B:1,invalid,,,,,,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,X8Z:A:709,valid,,,,,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,2OC2,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,RX3:A:680,valid,Ki,=,3,nM,c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1D0L,,,,,,,
,,,BLG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,1D0K,,,,,,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,AMU ALA NAG DGL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C)C)CCC(=O)[O-],
,,,AMU NAG ALA DGL:B:1,valid,,,,,,
,,1D0M,,,,,,,
,,,BLG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,NDG NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,,1QUT,,,,,,,
,,,NA:A:400,Part of Protein,,,,,[Na+],
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2VNO,,,,,,,
,,,CA:A:1213,Part of Protein,,,,,[Ca+2],
,,,CA:B:1214,Part of Protein,,,,,[Ca+2],
,,,GAL FUC GAL:C:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL FUC GAL:D:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,2VNG,,,,,,,
,,,CA:A:1213,Part of Protein,,,,,[Ca+2],
,,,CA:B:1214,Part of Protein,,,,,[Ca+2],
,,,GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,,,GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,2FV1,,,,,,,
,,,NDG GAD:D:1,valid,,,,,,
,,,NDG GAD:C:1,valid,,,,,,
,,2FV0,,,,,,,
,,,BGC RAM BGC GAD:C:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)OC(CO)C4O)OC3C)OC2CO)C(O)C(O)C=1,
,,2AHG,,,,,,,
,,,NGA GCD:D:1,valid,,,,,,
,,,NGA GCD:C:1,valid,,,,,,
,Family. Representative Entry is ,5XCZ,,,,,,,
,,,GLC BGC:B:1,valid,,,,,,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,4CD5,,,,,,,
,,,NA:A:1420,Part of Protein,,,,,[Na+],
,,,NA:A:1421,Part of Protein,,,,,[Na+],
,,,BMA MVL:A:1422,valid,Ki,=,194,nM,,
,,2VX7,,,,,,,
,,,NA:A:1421,Part of Protein,,,,,[Na+],
,,,BMA BMA:B:1,valid,,,,,,
,,2VX6,,,,,,,
,,,NA:A:1425,Part of Protein,,,,,[Na+],
,,,NA:A:1426,Part of Protein,,,,,[Na+],
,,,BMA BMA BMA BMA GLA:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2VX5,,,,,,,
,,,BMA:A:1420,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1421,Part of Protein,,,,,[Na+],
,,4CD4,,,,,,,
,,,NA:A:1420,Part of Protein,,,,,[Na+],
,,,NA:A:1421,Part of Protein,,,,,[Na+],
,,,BMA IFM:A:1422,valid,Ki,=,263,nM,,
,Family. Representative Entry is ,5FKS,,,,,,,
,,,K:A:1785,Part of Protein,,,,,[K+],
,,,K:A:1784,Part of Protein,,,,,[K+],
,,,BR:A:1767,invalid,,,,,[Br-],
,,,BGC BGC BGC XYS BGC XYS GAL:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,EDO:A:1783,invalid,,,,,C(CO)O,
,,,BGC BGC BGC XYS BGC XYS XYS GAL GAL:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,Family. Representative Entry is ,2PI8,,,,,,,
,,,NAG NAG NAG NAG NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,PO4:A:699,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:696,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:697,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:698,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:700,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3QEF,,,,,,,
,,,AHR AHR AHR:C:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,,,AHR AHR AHR AHR:D:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(CO)O2)O1,
,,,CA:A:335,Part of Protein,,,,,[Ca+2],
,,,CA:B:335,Part of Protein,,,,,[Ca+2],
,,,EDO:A:336,invalid,,,,,C(CO)O,
,,,EDO:B:336,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3ANK,,,,,,,
,,,EDO:A:3318,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,NG6 GCD:B:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,Family. Representative Entry is ,5O59,,,,,,,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:605,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,NI:A:603,Part of Protein,,,,,[Ni+2],
,,,NI:B:503,Part of Protein,,,,,[Ni+2],
,,,NI:B:502,Part of Protein,,,,,[Ni+2],
,,,NI:A:602,Part of Protein,,,,,[Ni+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GS1 GLC GS1:B:511,valid,,,,,,
,,,GS1 GLC GS1:B:508,valid,,,,,,
,,,GS1 GLC GS1:A:609,valid,,,,,,
,,,GS1 GLC GS1:A:606,valid,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2XVL,,,,,,,
,,,CL:A:1995,invalid,,,,,[Cl-],
,,,CL:A:1996,invalid,,,,,[Cl-],
,,,CL:A:1997,invalid,,,,,[Cl-],
,,,CL:A:1998,invalid,,,,,[Cl-],
,,,CL:A:1999,invalid,,,,,[Cl-],
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,NI:A:1989,Part of Protein,,,,,[Ni+2],
,,,NI:A:1990,Part of Protein,,,,,[Ni+2],
,,,NI:A:1991,Part of Protein,,,,,[Ni+2],
,,,PXN:A:2001,valid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,SO4:A:1992,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1993,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1994,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1QTE,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ALA NAG AH0 DAL:A:653,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C2OC(C1NC(=O)C)OC2)C)C)C,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4U6D,,,,,,,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,3DY:A:521,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O,
,,,CA:A:502,invalid,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,invalid,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2D8L,,,,,,,
,,,NGA GCD:B:1,valid,,,,,,
,,2GH4,,,,,,,
,,,RAM GAD:B:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(C)OC2O)C(O)C(O)C=1,
3.5.1.19,,,,,,,,,
,Family. Representative Entry is ,2WT9,,,,,,,
,,,GOL:A:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,NIO:A:1216,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:B:1216,valid,,,,,c1cc(cnc1)C(=O)O,
,,,ZN:A:1212,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1212,Part of Protein,,,,,[Zn+2],
,,2WTA,,,,,,,
,,,CL:A:1220,invalid,,,,,[Cl-],
,,,CL:A:1221,invalid,,,,,[Cl-],
,,,CL:A:1222,invalid,,,,,[Cl-],
,,,GOL:A:1217,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1218,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1219,invalid,,,,,C(C(CO)O)O,
,,,VGL:A:1216,valid,,,,,c1cnc(cn1)C(=O)O,
,,,ZN:A:1215,Part of Protein,,,,,[Zn+2],
1.10.3.2,,,,,,,,,
,Family. Representative Entry is ,3FU7,,,,,,,
,,,3DM:A:3900,valid,,,,,COc1cccc(c1O)OC,
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,,,CU:A:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:A:604,Part of Protein,,,,,[Cu+2],
,,,CU:B:601,Part of Protein,,,,,[Cu+2],
,,,CU:B:602,Part of Protein,,,,,[Cu+2],
,,,CU:B:603,Part of Protein,,,,,[Cu+2],
,,,CU:B:604,Part of Protein,,,,,[Cu+2],
,,,D2M:B:2100,valid,,,,,COc1cccc(c1Oc2cc(c(c(c2)OC)O)OC)OC,
,,,KIA:B:2910,valid,,,,,COC1=CC(=O)C=C(C1=O)OC,
,,,NAG:A:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:750,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1750,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:J:1,invalid,,,,,,
,,,NAG NAG MAN:E:1,invalid,,,,,,
,,,NAG NAG MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG MAN MAN:C:1,invalid,,,,,,
,,,OXY:A:1620,invalid,,,,,O=O,
,,,OXY:B:1620,invalid,,,,,O=O,
,,,SO4:A:3800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4802,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FU8,,,,,,,
,,,3DM:A:2900,valid,,,,,COc1cccc(c1O)OC,
,,,3DM:B:2910,valid,,,,,COc1cccc(c1O)OC,
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,,,CU:A:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:A:604,Part of Protein,,,,,[Cu+2],
,,,CU:B:601,Part of Protein,,,,,[Cu+2],
,,,CU:B:602,Part of Protein,,,,,[Cu+2],
,,,CU:B:603,Part of Protein,,,,,[Cu+2],
,,,CU:B:604,Part of Protein,,,,,[Cu+2],
,,,GOL:A:3902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3901,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:750,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1750,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:J:1,invalid,,,,,,
,,,NAG NAG MAN:E:1,invalid,,,,,,
,,,NAG NAG MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG MAN MAN:C:1,invalid,,,,,,
,,,SO4:A:3800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FU9,,,,,,,
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,,,CU:A:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:A:604,Part of Protein,,,,,[Cu+2],
,,,CU:B:601,Part of Protein,,,,,[Cu+2],
,,,CU:B:602,Part of Protein,,,,,[Cu+2],
,,,CU:B:603,Part of Protein,,,,,[Cu+2],
,,,CU:B:604,Part of Protein,,,,,[Cu+2],
,,,KIB:A:1001,valid,,,,,COc1cc(cc(c1O)OC)O,
,,,KIB:B:2001,valid,,,,,COc1cc(cc(c1O)OC)O,
,,,NAG:A:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:720,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:740,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:720,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:740,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:8002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8001,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1HFU,,,,,,,
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,CU:A:702,Part of Protein,,,,,[Cu+2],
,,,CU:A:703,Part of Protein,,,,,[Cu+2],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1KYA,,,,,,,
,,,CU:A:500,Part of Protein,,,,,[Cu+2],
,,,CU:A:501,Part of Protein,,,,,[Cu+2],
,,,CU:A:502,Part of Protein,,,,,[Cu+2],
,,,CU:A:503,Part of Protein,,,,,[Cu+2],
,,,CU:B:500,Part of Protein,,,,,[Cu+2],
,,,CU:B:501,Part of Protein,,,,,[Cu+2],
,,,CU:B:502,Part of Protein,,,,,[Cu+2],
,,,CU:B:503,Part of Protein,,,,,[Cu+2],
,,,CU:C:500,Part of Protein,,,,,[Cu+2],
,,,CU:C:501,Part of Protein,,,,,[Cu+2],
,,,CU:C:502,Part of Protein,,,,,[Cu+2],
,,,CU:C:503,Part of Protein,,,,,[Cu+2],
,,,CU:D:500,Part of Protein,,,,,[Cu+2],
,,,CU:D:501,Part of Protein,,,,,[Cu+2],
,,,CU:D:502,Part of Protein,,,,,[Cu+2],
,,,CU:D:503,Part of Protein,,,,,[Cu+2],
,,,NAG NAG:A:505,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:507,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:510,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:605,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:609,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:611,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:705,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:707,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:709,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:805,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:811,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:513,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:607,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:711,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:807,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:813,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PYE:A:508,invalid,,,,,C1CCOCC1,
,,,PYE:A:509,invalid,,,,,C1CCOCC1,
,,,PYE:B:608,invalid,,,,,C1CCOCC1,
,,,PYE:B:614,invalid,,,,,C1CCOCC1,
,,,PYE:B:615,invalid,,,,,C1CCOCC1,
,,,PYE:B:616,invalid,,,,,C1CCOCC1,
,,,PYE:D:808,invalid,,,,,C1CCOCC1,
,,,PYE:D:809,invalid,,,,,C1CCOCC1,
,,,PYE:D:810,invalid,,,,,C1CCOCC1,
,,,XYD:A:514,valid,,,,,Cc1ccc(c(c1)N)C,
,,,XYD:B:612,valid,,,,,Cc1ccc(c(c1)N)C,
,,,XYD:C:712,valid,,,,,Cc1ccc(c(c1)N)C,
,,,XYD:D:814,valid,,,,,Cc1ccc(c(c1)N)C,
2.7.7.47,,,,,,,,,
,Family. Representative Entry is ,5LPA,,,,,,,
,,,71R:A:302,valid,Kd,=,11,uM,[H]/N=C(N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,71R:B:302,valid,Kd,=,11,uM,[H]/N=C(N)/N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(CO)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,ATP:B:301,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,6FZB,,,,,,,
,,,SRY:A:301,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,SRY:B:301,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ATP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,5LUH,,,,,,,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,SRY:A:304,valid,Kd,=,11,uM,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,SRY:B:303,valid,Kd,=,11,uM,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,ATP:B:302,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:303,valid,Kd,=,50,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:305,invalid,,,,,C(CO)O,
3.4.22.34,,,,,,,,,
,Family. Representative Entry is ,5LUB,,,,,,,
,,,3Y7:B:304,valid,ic50,=,0.7,uM,c1cc(c2c(c1N)non2)N3CCOCC3,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5LU9,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3Y7:A:305,valid,,,,,c1cc(c2c(c1N)non2)N3CCOCC3,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ACE TYR VAL ALA ASP 0QE:C:300,invalid,,,,,,
,,5LU8,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5KN:A:306,valid,,,,,c1cc(c(cc1N2CCOCC2)N3CCOCC3)N,
,,,ACE TYR VAL ALA ASP 0QE:C:300,invalid,,,,,,
,,,EMC:A:305,invalid,,,,,CC[Hg+],
,,5LUA,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5KN:B:304,valid,,,,,c1cc(c(cc1N2CCOCC2)N3CCOCC3)N,
,Family. Representative Entry is ,6YSA,,,,,,,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:T:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:S:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:U:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:W:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:X:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:V:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CIT:E:507,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
4.6.1.12,,,,,,,,,
,Family. Representative Entry is ,1T0A,,,,,,,
,,,CO:A:662,Part of Protein,,,,,[Co+2],
,,,CO:B:761,Part of Protein,,,,,[Co+2],
,,,CO:C:861,Part of Protein,,,,,[Co+2],
,,,FPP:A:1831,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:A:661,Part of Protein,,,,,[Zn+2],
,,,ZN:B:760,Part of Protein,,,,,[Zn+2],
,,,ZN:C:860,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4C8E,,,,,,,
,,,ZN:A:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1162,Part of Protein,,,,,[Zn+2],
,,,C5P:A:1163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:A:1164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:B:1165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:C:1163,invalid,,,,,C(COCCO)O,
,,4C8I,,,,,,,
,,,ZN:B:1161,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1161,Part of Protein,,,,,[Zn+2],
,,,CIT:B:1160,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1160,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:1160,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PO4:C:1161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4C8G,,,,,,,
,,,ZN:A:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1162,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1162,Part of Protein,,,,,[Zn+2],
,,,C5P:A:1163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:B:1165,invalid,,,,,[Mg+2],
,,,PO4:B:1164,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2AMT,,,,,,,
,,,1AA:A:1901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,1AA:C:2901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,1AA:C:3901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,1AA:D:6901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,1AA:E:4901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,1AA:E:5901,valid,Kd,=,36,uM,c1ccc(c(c1)C(=O)OCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N,
,,,GPP:A:7903,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:D:8903,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,ZN:A:1900,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2900,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3900,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4900,Part of Protein,,,,,[Zn+2],
,,,ZN:E:5900,Part of Protein,,,,,[Zn+2],
,,,ZN:F:6900,Part of Protein,,,,,[Zn+2],
,,3ERN,,,,,,,
,,,CAR:A:900,valid,Kd,=,18.91,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CAR:B:900,valid,Kd,=,18.91,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CAR:C:900,valid,Kd,=,18.91,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CAR:D:900,valid,Kd,=,18.91,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CAR:E:900,valid,Kd,=,18.91,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GPP:B:901,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:F:902,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
,,,ZN:D:800,Part of Protein,,,,,[Zn+2],
,,,ZN:E:800,Part of Protein,,,,,[Zn+2],
,,2GZL,,,,,,,
,,,2AA:A:901,valid,Kd,=,15,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O,
,,,GPP:A:903,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,3ELC,,,,,,,
,,,F01:A:901,valid,Kd,=,2.02,mM,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F,
,,,F01:B:902,valid,Kd,=,2.02,mM,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F,
,,,F01:C:903,valid,Kd,=,2.02,mM,C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F,
,,,GPP:C:904,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:803,Part of Protein,,,,,[Zn+2],
,,1JY8,,,,,,,
,,,C5P:A:669,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CDI:A:421,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,1GX1,,,,,,,
,,,CDP:A:1158,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1160,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:1159,Part of Protein,,,,,[Mn+2],
,,,MN:B:1158,Part of Protein,,,,,[Mn+2],
,,,MN:B:1161,Part of Protein,,,,,[Mn+2],
,,,SO4:B:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1157,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1159,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1157,Part of Protein,,,,,[Zn+2],
,,1U3L,,,,,,,
,,,CDP:A:669,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:700,invalid,,,,,[Mg+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1H47,,,,,,,
,,,C5P:A:1159,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:D:1159,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:E:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:1157,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GPP:A:1157,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:D:1157,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,ZN:A:1158,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1158,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1158,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1158,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1158,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1158,Part of Protein,,,,,[Zn+2],
,,1H48,,,,,,,
,,,C5P:A:203,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:D:204,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:E:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CDI:F:902,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CDI:E:902,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CDI:C:902,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CDI:D:201,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CDI:B:902,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CDI:A:201,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,GPP:E:904,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:C:904,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MN:D:203,Part of Protein,,,,,[Mn+2],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:E:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,ZN:F:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4C81,,,,,,,
,,,SO4:A:1247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1244,invalid,,,,,[Cl-],
,,,CL:A:1245,invalid,,,,,[Cl-],
,,,CL:A:1246,invalid,,,,,[Cl-],
,,,ZN:A:1240,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1241,Part of Protein,,,,,[Zn+2],
,,,CDP:A:1242,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3JVH,,,,,,,
,,,GOL:A:165,invalid,,,,,C(C(CO)O)O,
,,,HHV:A:164,valid,,,,,c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N,
,,,HHV:B:164,valid,,,,,c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N,
,,,HHV:C:164,valid,,,,,c1cc(cnc1)CNc2c(cn[nH]2)C(=O)N,
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:163,Part of Protein,,,,,[Zn+2],
,,3IEW,,,,,,,
,,,CDP:A:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:B:163,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,3QHD,,,,,,,
,,,795:A:167,valid,,,,,c1cc(cnc1)c2nc(cs2)C=O,
,,,CL:A:164,invalid,,,,,[Cl-],
,,,CTN:A:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:B:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:C:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,K:B:163,invalid,,,,,[K+],
,,,MSR:A:166,valid,,,,,c1cc(ccc1n2ccnc2)O,
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:164,Part of Protein,,,,,[Zn+2],
,,,ZN:C:163,Part of Protein,,,,,[Zn+2],
,,3K2X,,,,,,,
,,,CL:A:165,invalid,,,,,[Cl-],
,,,I5A:A:164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O,
,,,I5A:B:164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O,
,,,I5A:C:164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O,
,,,K:A:166,invalid,,,,,[K+],
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:163,Part of Protein,,,,,[Zn+2],
,,3F0G,,,,,,,
,,,C5P:B:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:D:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:E:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:164,Part of Protein,,,,,[Zn+2],
,,,ZN:C:164,Part of Protein,,,,,[Zn+2],
,,,ZN:D:164,Part of Protein,,,,,[Zn+2],
,,,ZN:E:164,Part of Protein,,,,,[Zn+2],
,,,ZN:F:164,Part of Protein,,,,,[Zn+2],
,,3IKE,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,CYT:A:901,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,CYT:B:901,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,CYT:C:901,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,MG:B:163,invalid,,,,,[Mg+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,3IEQ,,,,,,,
,,,C:A:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:B:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:C:901,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CL:A:164,invalid,,,,,[Cl-],
,,,MG:B:163,invalid,,,,,[Mg+2],
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:164,Part of Protein,,,,,[Zn+2],
,,,ZN:C:163,Part of Protein,,,,,[Zn+2],
,,3IKF,,,,,,,
,,,717:A:163,valid,,,,,c1csc2n1cc(n2)CO,
,,,717:A:202,valid,,,,,c1csc2n1cc(n2)CO,
,,,717:B:202,valid,,,,,c1csc2n1cc(n2)CO,
,,,ACT:A:165,invalid,,,,,CC(=O)[O-],
,,,CL:A:164,invalid,,,,,[Cl-],
,,,K:B:163,invalid,,,,,[K+],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,3P10,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,CTN:A:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:B:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:C:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,F69:A:170,valid,,,,,c1ccc(c(c1)CO)c2cccs2,
,,,K:C:163,invalid,,,,,[K+],
,,,ZN:A:164,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:164,Part of Protein,,,,,[Zn+2],
,,3MBM,,,,,,,
,,,717:A:165,valid,,,,,c1csc2n1cc(n2)CO,
,,,717:B:165,valid,,,,,c1csc2n1cc(n2)CO,
,,,717:C:163,valid,,,,,c1csc2n1cc(n2)CO,
,,,CYT:A:164,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,CYT:B:164,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,CYT:C:165,valid,,,,,C1=C(NC(=O)N=C1)N,
,,,TRS:A:166,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:164,Part of Protein,,,,,[Zn+2],
,,3P0Z,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,CTN:A:175,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:B:175,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:C:175,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,K:C:163,invalid,,,,,[K+],
,,,MSR:A:170,valid,,,,,c1cc(ccc1n2ccnc2)O,
,,,ZN:A:164,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:164,Part of Protein,,,,,[Zn+2],
,,3K14,,,,,,,
,,,535:A:164,valid,,,,,CCOC(=O)c1c(n2ccnc2s1)C,
,,,535:B:164,valid,,,,,CCOC(=O)c1c(n2ccnc2s1)C,
,,,535:C:164,valid,,,,,CCOC(=O)c1c(n2ccnc2s1)C,
,,,ACT:C:165,invalid,,,,,CC(=O)[O-],
,,,CL:A:165,invalid,,,,,[Cl-],
,,,K:A:166,invalid,,,,,[K+],
,,,ZN:A:163,Part of Protein,,,,,[Zn+2],
,,,ZN:B:163,Part of Protein,,,,,[Zn+2],
,,,ZN:C:163,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1IV2,,,,,,,
,,,CDP:A:1601,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1602,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1603,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:1604,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:1605,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:1606,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:1561,Part of Protein,,,,,[Mg+2],
,,,MG:A:1571,Part of Protein,,,,,[Mg+2],
,,,MG:B:1562,Part of Protein,,,,,[Mg+2],
,,,MG:B:1572,Part of Protein,,,,,[Mg+2],
,,,MG:B:1573,Part of Protein,,,,,[Mg+2],
,,,MG:C:1563,Part of Protein,,,,,[Mg+2],
,,,MG:D:1564,Part of Protein,,,,,[Mg+2],
,,,MG:E:1565,Part of Protein,,,,,[Mg+2],
,,,MG:E:1575,Part of Protein,,,,,[Mg+2],
,,,MG:E:1576,Part of Protein,,,,,[Mg+2],
,,,MG:F:1566,Part of Protein,,,,,[Mg+2],
,,,MG:F:1574,Part of Protein,,,,,[Mg+2],
,,1IV4,,,,,,,
,,,C5P:A:1602,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1603,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1601,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:D:1605,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:1604,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:F:1606,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:1561,Part of Protein,,,,,[Mg+2],
,,,MG:A:1571,Part of Protein,,,,,[Mg+2],
,,,MG:A:1572,Part of Protein,,,,,[Mg+2],
,,,MG:B:1562,Part of Protein,,,,,[Mg+2],
,,,MG:B:1573,Part of Protein,,,,,[Mg+2],
,,,MG:C:1563,Part of Protein,,,,,[Mg+2],
,,,MG:D:1564,Part of Protein,,,,,[Mg+2],
,,,MG:D:1574,Part of Protein,,,,,[Mg+2],
,,,MG:D:1575,Part of Protein,,,,,[Mg+2],
,,,MG:E:1565,Part of Protein,,,,,[Mg+2],
,,,MG:F:1566,Part of Protein,,,,,[Mg+2],
,,,MG:F:1576,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PMP,,,,,,,
,,,C5P:A:700,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2UZH,,,,,,,
,,,ACT:C:1162,invalid,,,,,CC(=O)[O-],
,,,CDP:A:1158,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1158,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:1158,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,EDO:A:1160,invalid,,,,,C(CO)O,
,,,EDO:C:1160,invalid,,,,,C(CO)O,
,,,GOL:A:1161,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1161,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1161,invalid,,,,,C(C(CO)O)O,
,,,IPE:B:1160,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,PEG:B:1162,invalid,,,,,C(COCCO)O,
,,,PEG:B:1163,invalid,,,,,C(COCCO)O,
,,,ZN:A:1157,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1157,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1157,Part of Protein,,,,,[Zn+2],
15.-.-.-,,,,,,,,,
,Family. Representative Entry is ,1P4A,,,,,,,
,,,PCP:A:604,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:B:605,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:C:606,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:D:607,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,Family. Representative Entry is ,6HS2,,,,,,,
,,,GNZ:B:301,valid,ic50,=,0.00000001,M,c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)C(F)(F)F,
,,6HRX,,,,,,,
,,,GO8:B:301,valid,ic50,=,0.00000001,M,CC(C)Sc1[nH]c2c(ncnc2n1)N,
,,,GO8:A:301,valid,ic50,=,0.00000001,M,CC(C)Sc1[nH]c2c(ncnc2n1)N,
,,6HS0,,,,,,,
,,,GNW:A:301,valid,ic50,=,0.00000001,M,c1cc(cc(c1)Cl)CN2CCNCC2,
,,,GNW:B:301,valid,ic50,=,0.00000001,M,c1cc(cc(c1)Cl)CN2CCNCC2,
,,6HRW,,,,,,,
,,,GNK:A:301,valid,ic50,=,1,uM,c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl,
,,5ICJ,,,,,,,
,,,69Y:B:301,valid,,,,,c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F,
,,,69Y:A:301,valid,,,,,c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F,
,,5N7O,,,,,,,
,,,69Y:B:301,valid,,,,,c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F,
,,,69Y:A:301,valid,,,,,c1ccc(cc1)C2=NOC3(C2)CCN(CC3)C(=O)CCC(F)(F)F,
,,6HRZ,,,,,,,
,,,GO2:A:302,valid,,,,,[H]/N=C(/N)Nc1nc2ccccc2s1,
,,,GO2:A:301,valid,,,,,[H]/N=C(/N)Nc1nc2ccccc2s1,
,,6HRY,,,,,,,
,,,GOE:B:301,valid,,,,,CCCNC(=O)Nc1cccc(n1)C,
,,,GOE:A:301,valid,,,,,CCCNC(=O)Nc1cccc(n1)C,
,,6HS1,,,,,,,
,,,GO5:B:301,valid,ic50,=,0.00000001,M,c1cc(ccc1CCN2[C@@H]3CCC[C@H]2CC(=O)C3)Cl,
,Family. Representative Entry is ,5AAV,,,,,,,
,,,GW5:B:1546,valid,ic50,=,3.24,nM,CC/C(=C(c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3,
,,,GW5:A:1552,valid,ic50,=,3.24,nM,CC/C(=C(c1ccccc1)/c2ccc(cc2)/C=C/C(=O)O)/c3ccccc3,
,,5EHJ,,,,,,,
,,,5K5:A:900,valid,,,,,c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O,
,,,5K5:B:901,valid,,,,,c1cc(ccc1C(=C2CC[C@H]3CCCC[C@@H]3C2)c4ccc(cc4)O)O,
,,4ZN7,,,,,,,
,,,DES:A:601,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:B:600,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,5KCT,,,,,,,
,,,OB7:A:601,valid,ic50,=,0.43,uM,CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB6:B:601,valid,ic50,=,0.43,uM,CCN(c1ccc(cc1)Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5TN6,,,,,,,
,,,7G1:B:601,valid,,,,,C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O,
,,,7G1:A:601,valid,,,,,C[C@]12CC[C@@]3(CCc4c3ccc(c4)O)C[C@@H]1CC[C@@H]2O,
,,5TLD,,,,,,,
,,,6WV:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,5KRA,,,,,,,
,,,6WT:B:601,valid,,,,,c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl,
,,,6WT:F:601,valid,,,,,c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl,
,,,6WS:E:601,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl,
,,,6WS:A:601,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl,
,,5DIG,,,,,,,
,,,5CE:A:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O,
,,,5CE:B:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3C(F)(F)F)O,
,,2FAI,,,,,,,
,,,459:A:101,valid,Ki,=,570,nM,CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO,
,,,459:B:201,valid,Ki,=,570,nM,CC1CC[C@@]2(CO[C@@H]([C@H]1[C@H]2C)c3ccc(cc3)O)CO,
,,5TLL,,,,,,,
,,,7EL:B:601,valid,,,,,c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O,
,,,7EL:A:601,valid,,,,,c1cc(ccc1c2ccc(c(c2Cl)O)/C=N/O)O,
,,4ZNS,,,,,,,
,,,OFB:B:601,valid,,,,,c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OFB:A:601,valid,,,,,c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,2B1Z,,,,,,,
,,,17M:A:201,valid,ic50,=,79,nM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O,
,,,17M:B:202,valid,ic50,=,79,nM,C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@]2(C)O)O,
,,5DRM,,,,,,,
,,,5ET:A:601,valid,,,,,c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O,
,,,5ET:B:601,valid,,,,,c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O,
,,5DI7,,,,,,,
,,,5CQ:A:601,valid,,,,,Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O,
,,,5CQ:B:601,valid,,,,,Cc1cc(ccc1[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]3O)C)O,
,,5DU5,,,,,,,
,,,5G2:B:601,valid,,,,,c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O,
,,,5G2:A:601,valid,,,,,c1cc(c(cc1O)Cl)C2=CS(=O)(=O)C=C2c3ccc(cc3Cl)O,
,,5TM4,,,,,,,
,,,7E3:B:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O,
,,,7E3:A:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O,
,,,7E3:A:602,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O,
,,,7E3:A:603,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCC(=O)O)c5ccc(cc5)O,
,,5TMS,,,,,,,
,,,7FG:B:601,valid,,,,,CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,,7FG:A:601,valid,,,,,CCOC(=O)C=Cc1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,7JHD,,,,,,,
,,,V9J:B:601,valid,,,,,c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F,
,,,V9J:A:601,valid,,,,,c1cc(ccc1c2c3ccc(cc3sc2Oc4ccc(cc4)O)O)F,
,,5DXR,,,,,,,
,,,5HW:A:900,valid,,,,,C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,,5HW:B:901,valid,,,,,C[C@@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,2P15,,,,,,,
,,,EZT:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C=Cc5ccccc5C(F)(F)F)O)O,
,,,EZT:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C=Cc5ccccc5C(F)(F)F)O)O,
,,4ZNU,,,,,,,
,,,4Q9:A:601,valid,,,,,Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,4Q9:B:601,valid,,,,,Cc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5TMZ,,,,,,,
,,,7FQ:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O,
,,,7FQ:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccc(cc5)OC)O,
,,5KRL,,,,,,,
,,,6WR:B:601,valid,,,,,c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O,
,,,6WR:A:601,valid,,,,,c1cc(c(cc1O)Cl)C2=CC[C@H]3[C@@H](C2)CC[C@@H]3O,
,,1X7R,,,,,,,
,,,GEN:A:201,valid,ic50,=,360,nM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,5TN7,,,,,,,
,,,7G2:A:602,valid,,,,,c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O,
,,,7G2:B:601,valid,,,,,c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O,
,,,7G2:A:601,valid,,,,,c1cc(c(cc1c2ccc(c(c2)F)O)/C=N/O)O,
,,5TMO,,,,,,,
,,,7M1:B:601,valid,,,,,c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O,
,,,7M1:A:601,valid,,,,,c1ccc(cc1)OS(=O)(=O)c2ccc(c(c2)c3ccc(cc3)O)c4ccc(cc4)O,
,,2QR9,,,,,,,
,,,HZ3:A:1,valid,,,,,COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC,
,,,HZ3:B:1,valid,,,,,COC(=O)C1=C([C@@H]2C(=C([C@H]1O2)c3ccc(cc3)O)c4ccc(cc4)O)C(=O)OC,
,,5KRH,,,,,,,
,,,6WN:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=Cc5ccccc5)/C2=O)O,
,,,6WN:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C/C(=Cc5ccccc5)/C2=O)O,
,,5DZH,,,,,,,
,,,5KG:A:900,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O,
,,,5KG:B:901,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CCO)c3ccc(cc3)O)O,
,,5KCD,,,,,,,
,,,OB2:B:601,valid,ic50,=,0.74,uM,CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB2:A:601,valid,ic50,=,0.74,uM,CN(c1ccccc1)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5TMM,,,,,,,
,,,7M4:A:601,valid,,,,,c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,,7M4:B:601,valid,,,,,c1cc(ccc1C=CCCCC(=O)O)C2=C([C@@H]3C[C@@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,5E0W,,,,,,,
,,,5KE:B:901,valid,,,,,c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O,
,,,5KE:A:900,valid,,,,,c1cc(ccc1[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2)O,
,,5TLO,,,,,,,
,,,7EE:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O,
,,,7EE:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O,
,,5TLX,,,,,,,
,,,7G5:B:603,invalid,,,,,c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O,
,,,7G5:A:603,valid,,,,,c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O,
,,,7G5:A:602,valid,,,,,c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O,
,,,7G5:B:601,valid,,,,,c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O,
,,,7EH:B:602,valid,,,,,Cn1c2c(cc(cn2)c3ccccc3)nc1N,
,,,7EH:A:601,valid,,,,,Cn1c2c(cc(cn2)c3ccccc3)nc1N,
,,5KRO,,,,,,,
,,,6WW:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O,
,,,6WW:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2N(C)c5ccccc5)O,
,,5E19,,,,,,,
,,,5K7:B:900,valid,,,,,COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,,5K7:A:901,valid,,,,,COC(=O)CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,5KCE,,,,,,,
,,,OB3:A:601,valid,ic50,=,0.45,uM,CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB3:B:601,valid,ic50,=,0.45,uM,CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB3:A:602,valid,ic50,=,0.45,uM,CN(c1ccccc1Cl)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5DL4,,,,,,,
,,,5C4:B:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4,
,,,5C4:A:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4,
,,5DVS,,,,,,,
,,,5G7:A:900,valid,,,,,Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O,
,,,5G7:B:901,valid,,,,,Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3)O,
,,5DID,,,,,,,
,,,5CK:B:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O,
,,,5CK:A:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3ccc(c(c3F)F)O,
,,5KRI,,,,,,,
,,,6WM:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O,
,,,6WM:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)Cc5ccccc5)O,
,,5KCW,,,,,,,
,,,OB9:B:601,valid,ic50,=,0.19,uM,c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB9:B:602,valid,ic50,=,0.19,uM,c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB9:A:601,valid,ic50,=,0.19,uM,c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5TM8,,,,,,,
,,,7K6:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O,
,,,7K6:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCCCC(=O)O)O,
,,4ZN9,,,,,,,
,,,OBH:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O,
,,,OBH:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O,
,,5KRC,,,,,,,
,,,ZER:A:601,valid,,,,,C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O,
,,,ZER:B:601,valid,,,,,C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1)O)O,
,,1ZKY,,,,,,,
,,,689:A:700,valid,Ki,=,560,nM,C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C,
,,,689:B:801,valid,Ki,=,560,nM,C[C@H]1C=C([C@@H]2[C@@H]([C@]1(CO[C@@H]2c3ccc(cc3)O)CO)C)C,
,,5DXP,,,,,,,
,,,5HX:A:900,valid,,,,,c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,,5HX:B:901,valid,,,,,c1ccc(cc1)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,5DMF,,,,,,,
,,,5DG:A:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F,
,,,5DG:B:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccc(cc4)F,
,,5TMU,,,,,,,
,,,7FL:B:601,valid,,,,,c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O,
,,,7FL:A:601,valid,,,,,c1cc(ccc1C(=C2CCCCCC2)c3ccc(cc3)O)O,
,,2B1V,,,,,,,
,,,458:A:201,valid,Ki,=,1.8,uM,CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO,
,,,458:B:202,valid,Ki,=,1.8,uM,CC1=CC[C@]2(C[C@@H]1[C@H](OC2)c3ccc(cc3)O)CO,
,,5DUG,,,,,,,
,,,5FV:A:900,valid,,,,,Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O,
,,,5FV:B:901,valid,,,,,Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(cc5C)O)O,
,,5E0X,,,,,,,
,,,5KD:A:900,valid,,,,,COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,,5KD:B:901,valid,,,,,COc1ccc(cc1)[C@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,5KCC,,,,,,,
,,,OB1:A:601,valid,,,,,c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB1:B:601,valid,,,,,c1ccc(cc1)NS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,4MG5,,,,,,,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,27E:A:602,valid,,,,,C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,
,,,27E:B:602,valid,,,,,C1(=O)C2([C@@]3([C@@]4(C1([C@@]5([C@]2(C3(C(C54Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl,
,,5KCU,,,,,,,
,,,OB8:B:601,valid,ic50,=,6.49,uM,CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O,
,,,OB8:A:601,valid,ic50,=,6.49,uM,CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]3C[C@H]4C(=C([C@@H]3O4)c5ccc(cc5)O)c6ccc(cc6)O,
,,5DLR,,,,,,,
,,,5DJ:B:601,valid,,,,,c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O,
,,,5DJ:A:601,valid,,,,,c1ccc(cc1)C=C(c2ccc(cc2)O)c3ccc(cc3)O,
,,3ERD,,,,,,,
,,,ACY:B:717,invalid,,,,,CC(=O)O,
,,,ACY:B:730,invalid,,,,,CC(=O)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,DES:A:600,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:B:800,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,2YJA,,,,,,,
,,,EST:B:1550,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,5TLU,,,,,,,
,,,7EE:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O,
,,,7EE:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#Cc5ccc(cc5)N)O)O,
,,5DMC,,,,,,,
,,,5DH:A:601,valid,,,,,c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N,
,,,5DH:B:601,valid,,,,,c1ccc(cc1)C(=C(c2ccc(cc2)O)c3ccc(cc3)O)C#N,
,,4ZNT,,,,,,,
,,,OBB:B:601,valid,,,,,c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OBB:A:601,valid,,,,,c1cc(cc(c1)Br)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5DXM,,,,,,,
,,,5J0:A:900,valid,,,,,c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,,5J0:B:901,valid,,,,,c1cc(cc(c1)O)C(=C2C3CCCC2CCC3)c4ccc(cc4)O,
,,5DK9,,,,,,,
,,,5CC:A:601,valid,,,,,CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4,
,,,5CC:B:601,valid,,,,,CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4ccccc4,
,,5TLG,,,,,,,
,,,7EG:B:601,valid,,,,,c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O,
,,,7EG:A:601,valid,,,,,c1cc(ccc1c2ccc(c(c2c3ccc(cc3)O)/C=N/O)O)O,
,,4MGC,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,27M:B:601,valid,,,,,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,,27M:A:601,valid,,,,,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,5TLP,,,,,,,
,,,7EH:A:601,valid,,,,,Cn1c2c(cc(cn2)c3ccccc3)nc1N,
,,,7ET:B:601,valid,,,,,c1cc(cc(c1)F)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCN5CCCCC5)c6ccc(cc6)O,
,,5U2D,,,,,,,
,,,OBH:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O,
,,,OBH:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)OC4C=CCC=C4)c5ccc(cc5)O)O,
,,4MG6,,,,,,,
,,,27G:A:601,valid,,,,,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,
,,,27G:B:601,valid,,,,,CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,2JF9,,,,,,,
,,,BCT:A:700,invalid,,,,,C(=O)(O)[O-],
,,,CA:P:1014,Part of Protein,,,,,[Ca+2],
,,,CA:R:1014,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1529,invalid,,,,,C(CO)O,
,,,EDO:A:1530,invalid,,,,,C(CO)O,
,,,EDO:B:1530,invalid,,,,,C(CO)O,
,,,EDO:B:1531,invalid,,,,,C(CO)O,
,,,EDO:C:1530,invalid,,,,,C(CO)O,
,,,EDO:C:1531,invalid,,,,,C(CO)O,
,,,OHT:A:600,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:B:600,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:C:600,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,5TLV,,,,,,,
,,,7ES:B:601,invalid,,,,,c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O,
,,,7ES:A:601,valid,,,,,c1cc(c(cc1O)F)c2ccsc2c3ccc(cc3F)O,
,,5KRM,,,,,,,
,,,6WU:A:601,valid,,,,,C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F,
,,,6WU:B:601,valid,,,,,C[C@]12CC=C(C[C@H]1CC[C@@H]2O)c3cc(c(cc3F)O)F,
,,5DUH,,,,,,,
,,,5FT:B:901,valid,,,,,Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O,
,,,5FT:A:900,valid,,,,,Cc1cc(ccc1O)C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccccc4)c5ccc(c(c5)C)O,
,,4ZNV,,,,,,,
,,,4Q7:A:601,valid,,,,,COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,4Q7:B:601,valid,,,,,COc1ccccc1OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,2QGW,,,,,,,
,,,EES:A:1,valid,,,,,c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O,
,,,EES:B:1,valid,,,,,c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O,
,,5KR9,,,,,,,
,,,CUE:B:601,valid,,,,,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,,CUE:A:601,valid,,,,,c1cc2c(cc1O)oc-3c2C(=O)Oc4c3ccc(c4)O,
,,5DTV,,,,,,,
,,,5FS:B:601,valid,,,,,Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O,
,,,5FS:A:601,valid,,,,,Cc1cc(ccc1C2=CS(=O)(=O)C=C2c3ccc(cc3C)O)O,
,,5DY8,,,,,,,
,,,5K4:B:901,valid,,,,,CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,,5K4:A:900,valid,,,,,CC[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,5KRK,,,,,,,
,,,6WQ:B:601,valid,,,,,c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O,
,,,6WQ:A:601,valid,,,,,c1cc(ccc1C(=C2CCc3c2ccc(c3)Br)c4ccc(cc4)O)O,
,,4PPS,,,,,,,
,,,ESE:B:601,valid,,,,,C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O,
,,,ESE:A:601,valid,,,,,C[C@]12CC[C@H](C[C@H]1CC[C@@H]2O)c3ccc(cc3)O,
,,1L2I,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,ETC:A:600,valid,,,,,CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O,
,,,ETC:B:800,valid,,,,,CC[C@@H]1Cc2cc(ccc2C3=C1c4ccc(cc4C[C@H]3CC)O)O,
,,5DWG,,,,,,,
,,,5G4:B:901,valid,,,,,Cc1ccccc1/N=C(c2ccc(cc2)O)/c3ccc(cc3O)O,
,,,5G4:A:900,valid,,,,,Cc1ccccc1/N=C(c2ccc(cc2)O)/c3ccc(cc3O)O,
,,5KD9,,,,,,,
,,,OBT:B:601,valid,ic50,=,0.93,uM,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O,
,,,OBT:A:601,valid,ic50,=,0.93,uM,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)Cl)c5ccc(cc5)O)O,
,,4ZNH,,,,,,,
,,,OBC:B:601,valid,,,,,c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F,
,,,OBC:A:602,valid,,,,,c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F,
,,,OBC:A:601,valid,,,,,c1ccc(c(c1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O)F,
,,5DKB,,,,,,,
,,,5C9:A:602,valid,,,,,CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C,
,,,5C9:A:601,valid,,,,,CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C,
,,,5C9:B:601,valid,,,,,CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3cccc(c3)Nc4cccc(c4)C,
,,5KRF,,,,,,,
,,,6WL:A:601,valid,,,,,Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,6WL:B:601,valid,,,,,Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,2QGT,,,,,,,
,,,EED:A:701,valid,,,,,C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC,
,,,EED:B:700,valid,,,,,C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)COC,
,,2QAB,,,,,,,
,,,EI1:A:1,valid,,,,,CCc1c2cc(ccc2nn1c3ccc(cc3)O)O,
,,,EI1:B:1,valid,,,,,CCc1c2cc(ccc2nn1c3ccc(cc3)O)O,
,,5DYB,,,,,,,
,,,5K2:A:900,valid,,,,,c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,,5K2:B:901,valid,,,,,c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,5E15,,,,,,,
,,,5KA:A:900,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O,
,,,5KA:B:901,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CCOCCCCF)c3ccc(cc3)O)O,
,,5DKG,,,,,,,
,,,5C7:B:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C,
,,,5C7:A:601,valid,,,,,CC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccc(cc3)C(C)(C)C,
,,5DUE,,,,,,,
,,,5FY:B:901,valid,,,,,Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O,
,,,5FY:A:900,valid,,,,,Cc1cc(ccc1C2=C([C@H]3[C@H](C[C@@H]2S3=O)S(=O)(=O)Oc4ccc(cc4)O)c5ccc(cc5C)O)O,
,,3OS8,,,,,,,
,,,KN0:A:1,valid,,,,,c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O,
,,,KN0:B:1,valid,,,,,c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O,
,,,KN0:C:1,valid,,,,,c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O,
,,,KN0:D:1,valid,,,,,c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4ccc(cc4O)O,
,,5KCF,,,,,,,
,,,OB4:B:601,valid,ic50,=,0.72,uM,CCN(c1ccc(cc1)OC)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,OB5:A:601,valid,ic50,=,0.72,uM,CCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5DXK,,,,,,,
,,,5J1:B:901,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O,
,,,5J1:A:900,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)C3C4CCCC3CCC4)O,
,,5TLM,,,,,,,
,,,7EM:A:601,valid,,,,,c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O,
,,,7EM:B:601,valid,,,,,c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O,
,,5E14,,,,,,,
,,,5KB:B:901,valid,,,,,c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,,5KB:A:900,valid,,,,,c1ccc(cc1)[C@@H]2CCCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,5DWJ,,,,,,,
,,,5J2:A:901,valid,,,,,c1cc(ccc1/C(=Nc2ccc(cc2)F)/c3ccc(cc3O)O)O,
,,,5J2:B:900,valid,,,,,c1cc(ccc1/C(=Nc2ccc(cc2)F)/c3ccc(cc3O)O)O,
,,5DRJ,,,,,,,
,,,5EU:B:601,valid,,,,,Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O,
,,,5EU:A:601,valid,,,,,Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O,
,,5TM9,,,,,,,
,,,7KL:A:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O,
,,,7KL:B:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O,
,,,7KL:A:602,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O,
,,,7KL:A:603,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O,
,,,7KL:A:604,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CC(=O)O)c5ccc(cc5)O,
,,5TMV,,,,,,,
,,,7FO:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O,
,,,7FO:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)I)c5ccc(cc5)O)O,
,,5TM5,,,,,,,
,,,7EV:B:601,valid,,,,,c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O,
,,,7EV:A:601,valid,,,,,c1cc(ccc1C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCCCC(=O)O)O,
,,5TMT,,,,,,,
,,,7FJ:A:601,valid,,,,,c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,,7FJ:B:601,valid,,,,,c1ccc2c(c1)CC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2,
,,5DXQ,,,,,,,
,,,5HZ:A:900,valid,,,,,c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O,
,,,5HZ:B:901,valid,,,,,c1cc(ccc1C(=C2C3CCCC2CCC3)c4ccc(cc4)O)O,
,,2QXM,,,,,,,
,,,PIQ:A:1,valid,,,,,Cn1c2cc(cnc2nc1N)c3ccccc3,
,,,PIQ:B:1,valid,,,,,Cn1c2cc(cnc2nc1N)c3ccccc3,
,,5E1C,,,,,,,
,,,5K8:A:900,valid,,,,,COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC,
,,,5K8:B:901,valid,,,,,COC(=O)C([C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1)C(=O)OC,
,,5TM3,,,,,,,
,,,7EN:B:601,valid,,,,,c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O,
,,,7EN:A:601,valid,,,,,c1cc(c(cc1O)Cl)C2=C(S(=O)C=C2)c3ccc(cc3Cl)O,
,,5TM7,,,,,,,
,,,7JY:A:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O,
,,,7JY:B:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)OCCCCCCC(=O)O)c5ccc(cc5)O,
,,5TMR,,,,,,,
,,,7FD:B:601,valid,,,,,CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O,
,,,7FD:A:601,valid,,,,,CCOC(=O)C=Cc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)O,
,,5DZ0,,,,,,,
,,,5K0:A:900,valid,,,,,CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,,5K0:B:901,valid,,,,,CC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,5DP0,,,,,,,
,,,5ES:A:601,valid,,,,,c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O,
,,,5ES:B:601,valid,,,,,c1cc(cc(c1)Nc2ccc(cc2)F)C=C(c3ccc(cc3)O)c4ccc(cc4)O,
,,5TLT,,,,,,,
,,,7ED:A:601,valid,,,,,CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O,
,,,7ED:B:601,valid,,,,,CC[C@H](c1ccc(cc1)O)[C@H](c2ccc(cc2)O)C(=O)OCCCCCCCCOC(=O)C(c3ccc(cc3)O)C(CC)c4ccc(cc4)O,
,,4PXM,,,,,,,
,,,EST:B:2000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:2000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,5TN4,,,,,,,
,,,7FZ:A:601,valid,,,,,Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O,
,,,7FZ:B:601,valid,,,,,Cc1cc(cc(c1O)C)c2ccc3c(c2)CC[C@@H]3O,
,,5TMW,,,,,,,
,,,7FP:B:601,valid,,,,,CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,,7FP:A:601,valid,,,,,CC(=O)Nc1ccc(cc1)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O,
,,5DYD,,,,,,,
,,,5K1:B:901,valid,,,,,CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,,5K1:A:900,valid,,,,,CS[C@H]1CCCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)C1,
,,5TLF,,,,,,,
,,,7EF:B:601,valid,,,,,CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C,
,,,7EF:A:601,valid,,,,,CC(=CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O)C,
,,5DZ3,,,,,,,
,,,5JX:A:900,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O,
,,,5JX:B:901,valid,,,,,c1cc(ccc1C(=C2CCC(CC2)CF)c3ccc(cc3)O)O,
,,5TN1,,,,,,,
,,,7FR:A:601,valid,,,,,CC(C)c1ccc(cc1)/N=C2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C,
,,,7FR:B:601,valid,,,,,CC(C)c1ccc(cc1)/N=C2/CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCc5c4ccc(c5)O)C,
,,5DWI,,,,,,,
,,,5G3:B:901,valid,,,,,c1ccc(c(c1)/N=C(c2ccc(cc2)O)/c3ccc(cc3O)O)Cl,
,,,5G3:A:900,valid,,,,,c1ccc(c(c1)/N=C(c2ccc(cc2)O)/c3ccc(cc3O)O)Cl,
,,5TN5,,,,,,,
,,,7G0:A:601,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O,
,,,7G0:B:601,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]2O)c3ccc(cc3)O,
,,2QSE,,,,,,,
,,,1HP:A:1,valid,,,,,Cn1c2cc(cnc2nc1N)c3ccc(cc3)O,
,,,1HP:B:1,valid,,,,,Cn1c2cc(cnc2nc1N)c3ccc(cc3)O,
,,5TML,,,,,,,
,,,7E1:A:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O,
,,,7E1:B:601,valid,,,,,c1cc(cc(c1)Cl)OS(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)C=CCCCC(=O)O)c5ccc(cc5)O,
,,5DZI,,,,,,,
,,,5KF:B:900,valid,,,,,c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O,
,,,5KF:A:901,valid,,,,,c1cc(ccc1C(=C2CCC[C@@H](C2)CCO)c3ccc(cc3)O)O,
,,5DWE,,,,,,,
,,,5G5:B:901,valid,,,,,c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl,
,,,5G5:A:900,valid,,,,,c1ccc(c(c1)N=C(c2ccc(cc2)O)c3ccc(cc3)O)Cl,
,,4DMA,,,,,,,
,,,0L8:A:701,valid,,,,,c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O,
,,,0L8:B:1701,valid,,,,,c1cc(ccc1c2c(cc(cc2Br)CO)c3ccoc3)O,
,,5TLY,,,,,,,
,,,7ER:A:601,valid,,,,,c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O,
,,,7ER:B:601,valid,,,,,c1cc(c(cc1O)F)C2=CS(=O)(=O)C=C2c3ccc(cc3F)O,
,,4ZNW,,,,,,,
,,,OBM:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O,
,,,OBM:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O)O,
,,5TMQ,,,,,,,
,,,7M7:A:601,valid,,,,,c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O,
,,,7M7:B:601,valid,,,,,c1cc(ccc1c2ccc(cc2c3ccc(cc3)O)S(=O)(=O)Oc4ccc(cc4)Br)O,
,,5EI1,,,,,,,
,,,5OR:A:900,valid,,,,,c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O,
,,,5OR:B:901,valid,,,,,c1cc(ccc1c2c(n3cc(ccc3n2)O)I)O,
,,5DZ1,,,,,,,
,,,5JY:A:900,valid,,,,,CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,,5JY:B:901,valid,,,,,CCC1CCC(=C(c2ccc(cc2)O)c3ccc(cc3)O)CC1,
,,5DIE,,,,,,,
,,,5CJ:A:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F,
,,,5CJ:B:601,valid,,,,,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]2O)c3cc(c(c(c3F)F)O)F,
,,6CBZ,,,,,,,
,,,ALA ILE LEU HIS ARG LEU LEU GLN:C:180,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])C)C(CC)C,
,,,ALA ILE LEU HIS ARG LEU LEU GLN:D:28,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])C)C(CC)C,
,,,EST:B:602,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2P4Y,,,,,,,
,,,C03:A:478,valid,Ki,=,0.001,uM,Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC,
,,,C03:B:478,valid,Ki,=,0.001,uM,Cc1c(c2ccc(cc2n1Cc3cc(ccc3Cl)O[C@H](C)C(=O)O)OC(F)(F)F)c4c5ccc(cc5on4)OC,
,,,TRS:A:479,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6DGL,,,,,,,
,,,GEV:B:501,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4,
,,,GEV:A:501,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4,
,,2Q61,,,,,,,
,,,SF1:A:7001,valid,,,,,c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl,
,,,SF1:B:5001,valid,,,,,c1ccc(cc1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl,
,,3AN3,,,,,,,
,,,M7S:A:1,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](Cc6ccccc6)C(=O)O,
,,6T9C,,,,,,,
,,,MX8:A:501,valid,,,,,CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO,
,,1ZEO,,,,,,,
,,,C01:A:478,valid,ic50,=,0.21,uM,CCCc1cc2c(c(c1O[C@@H](c3ccc(cc3)C(C)C)C(=O)[O-])CCC)ON(C2=O)C,
,,3R8I,,,,,,,
,,,XCX:A:1,valid,Kd,=,4.5,uM,CCCCCCCN(CCc1ccc(cc1)OC(C)(C)C(=O)O)c2nc3ccccc3o2,
,,3ADW,,,,,,,
,,,MYI:A:3,valid,Kd,=,72.8,uM,COc1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,OCR:A:1,Part of Protein,,,,,CCCCCC(=O)C=CC=C/CC=CCC=CCCCC(=O)O,
,,,OCR:B:2,Part of Protein,,,,,CCCCCC(=O)C=CC=C/CC=CCC=CCCCC(=O)O,
,,4E4K,,,,,,,
,,,RRG:A:502,valid,,,,,CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O,
,,,RRG:A:501,valid,,,,,CC(C)c1ccccc1c2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O,
,,4XUH,,,,,,,
,,,SFI:B:501,valid,ic50,=,1.87,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)SC)F)CC(=O)O,
,,,SFI:B:502,valid,ic50,=,1.87,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)SC)F)CC(=O)O,
,,,SFI:A:501,valid,ic50,=,1.87,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)SC)F)CC(=O)O,
,,,SFI:A:502,valid,ic50,=,1.87,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)SC)F)CC(=O)O,
,,2POB,,,,,,,
,,,GOL:B:478,invalid,,,,,C(C(CO)O)O,
,,,GW4:A:478,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](CNC(=O)C)Nc4ccccc4C(=O)c5ccccc5,
,,6MD4,,,,,,,
,,,OLA:A:502,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,BRL:A:501,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,2HWR,,,,,,,
,,,DRD:A:101,valid,,,,,CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3cccc4OC(C)(C)C(=O)O)C(=O)c5ccccc5,
,,4R2U,,,,,,,
,,,3JX:D:501,valid,,,,,Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C,
,,,3JX:A:501,valid,,,,,Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C,
,,2ZNO,,,,,,,
,,,S44:A:901,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O,
,,,S44:B:902,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O,
,,4XUM,,,,,,,
,,,IMN:A:502,valid,ic50,=,21.3,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:B:501,valid,ic50,=,21.3,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:A:501,valid,ic50,=,21.3,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,6MD1,,,,,,,
,,,GW9:B:501,valid,,,,,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],
,,,OLA:A:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:502,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,3R5N,,,,,,,
,,,MLO:A:1,valid,Kd,=,1.67,uM,C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O,
,,,MLO:A:2,valid,Kd,=,1.67,uM,C=CCc1ccc(c(c1)c2cc(ccc2O)CC=C)O,
,,2HWQ,,,,,,,
,,,DRY:A:1101,valid,,,,,CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5,
,,6QJ5,,,,,,,
,,,H8R:A:501,valid,Kd,=,30.1,nM,CCCCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O,
,,3VJH,,,,,,,
,,,J35:A:501,valid,,,,,CCC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc(cc2)C(F)(F)F)OC)C(=O)O,
,,3U9Q,,,,,,,
,,,DKA:A:1,valid,Ki,=,41.7,uM,CCCCCCCCCC(=O)O,
,,,SER LEU LEU LYS LYS LEU LEU LEU ALA:B:142,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(C)C)CC(C)C)CC(C)C)CCCC[NH3+])CCCC[NH3+])CC(C)C)CC(C)C)C([NH3+])CO,
,,2Q6R,,,,,,,
,,,SF2:A:5001,valid,,,,,COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl,
,,,SF2:B:7001,valid,,,,,COc1cccc(c1)Cn2c3ccc(cc3c(c2C(=O)O)Sc4ccccc4)Cl,
,,5Y2O,,,,,,,
,,,8N6:A:501,valid,,,,,CCc1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3,
,,3D6D,,,,,,,
,,,LRG:A:1,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3ccccc3,
,,2F4B,,,,,,,
,,,EHA:A:201,valid,ic50,=,50,nM,CCCc1c2ccc(cc2ccc1OCCCOc3ccc4c(c3)ccn4CC(=O)O)C(=O)c5ccccc5,
,,3BC5,,,,,,,
,,,ZAA:A:1,valid,ic50,=,0.005,uM,Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn(n4)c5ccccc5)CC(=O)O,
,,6ZLY,,,,,,,
,,,QMH:A:501,valid,Kd,=,94,nM,CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)O,
,,3VSO,,,,,,,
,,,EK1:A:501,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C[C@@H](Cc4ccccc4)C(=O)O,
,,4R06,,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3E7:A:501,valid,Kd,=,565,nM,CC[C@@H](c1ccccc1)NC(=O)c2ccc3c(c2)ccn3S(=O)(=O)c4cccc5c4cccc5,
,,1I7I,,,,,,,
,,,AZ2:A:101,valid,,,,,CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O,
,,,AZ2:B:478,valid,,,,,CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O,
,,4R6S,,,,,,,
,,,3K2:A:501,valid,,,,,Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C,
,,,3K2:B:501,valid,,,,,Cc1c(n(c2c1cc(cc2)C(=O)N[C@H](C)c3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)c5ccccc5C(=O)O)C,
,,3GBK,,,,,,,
,,,2PQ:A:1385,valid,,,,,CCCc1cc(ccc1OCCCN2CCCc3c2cccc3OC(C)(C)C(=O)O)C(=O)c4ccc(cc4)c5ccccc5,
,,3SZ1,,,,,,,
,,,KNA:A:1,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:2,valid,,,,,CCCCCCCCC(=O)O,
,,,LU2:B:1,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,MYR:B:478,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2ZVT,,,,,,,
,,,PTG:A:1,valid,,,,,CCCCCC=CC=C1[C@H](C=CC1=O)CC=CCCCC(=O)O,
,,,PTG:B:2,valid,,,,,CCCCCC=CC=C1[C@H](C=CC1=O)CC=CCCCC(=O)O,
,,2ATH,,,,,,,
,,,3EA:A:1001,valid,ic50,=,0.152,uM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O,
,,,3EA:B:1002,valid,ic50,=,0.152,uM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCOc3ccc4c(c3)ccn4CC(=O)O,
,,6D3E,,,,,,,
,,,FT7:A:501,valid,,,,,CC[C@H](c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C,
,,4XLD,,,,,,,
,,,FMT:A:501,invalid,,,,,C(=O)O,
,,,BRL:A:502,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,6C5Q,,,,,,,
,,,EKS:A:501,valid,ic50,=,220,nM,Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C,
,,,EKS:A:502,valid,ic50,=,220,nM,Cc1c(n(c2c1cc(cc2)C(=O)N[C@@H](C)c3ccc(cc3)C(C)(C)C)Cc4cccc(c4)OC(C)(C)C(=O)O)C,
,,2G0H,,,,,,,
,,,SP3:A:101,valid,ic50,=,22.7,nM,c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,
,,,SP3:B:201,valid,ic50,=,22.7,nM,c1cc(sc1)c2cc(n(n2)c3ccc(cc3)F)NS(=O)(=O)c4cc(cc(c4)C(F)(F)F)C(F)(F)F,
,,2Q5P,,,,,,,
,,,241:A:5001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O,
,,,241:B:7001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4cccc(c4)O[C@@H](C)C(=O)O,
,,2GTK,,,,,,,
,,,208:A:1001,valid,ic50,=,0.251,uM,CCO[C@@H](Cc1ccc2c(c1)ccn2Cc3c(oc(n3)c4ccccc4Cl)C)C(=O)O,
,,,HIS LYS LEU VAL GLN LEU LEU THR THR THR:B:631,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])CC(C)C)C(C)C)CCC(=O)N)CC(C)C)CC(C)C)C(O)C)C(O)C)C(O)C,
,,4Y29,,,,,,,
,,,LYS SER LEU LEU GLN GLN LEU LEU THR GLU:B:1432,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CC(C)C)CC(C)C)CCC(=O)N)CCC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,,CTI:A:501,valid,ic50,=,566,nM,C[n+]1cc2c(ccc(c2OC)OC)c3c1c4cc5c(cc4cc3)OCO5,
,,6MD2,,,,,,,
,,,GW9:B:501,valid,,,,,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],
,,,GW9:A:501,valid,,,,,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],
,,,ACD:B:502,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:A:502,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,5UGM,,,,,,,
,,,KNA:B:503,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:503,valid,,,,,CCCCCCCCC(=O)O,
,,,8A7:A:501,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5,
,,,8A7:A:502,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5,
,,,8A7:B:502,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5,
,,,8A7:B:501,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC5C(=O)NC(=O)S5,
,,2I4J,,,,,,,
,,,DRJ:A:999,valid,,,,,CCCCCCCN(CCc1ccc(cc1)O[C@](C)(CC)C(=O)O)c2nc3ccccc3o2,
,,3R8A,,,,,,,
,,,HIG:A:1,valid,,,,,CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C,
,,,HIG:B:1,valid,,,,,CCc1nc2c(cc(nc2n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C)C,
,,4XTA,,,,,,,
,,,DIF:B:501,valid,ic50,=,3.7,uM,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:A:501,valid,ic50,=,3.7,uM,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,3TY0,,,,,,,
,,,082:A:1,valid,ic50,=,83.1,nM,C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC,
,,,082:B:2,valid,ic50,=,83.1,nM,C[C@]1(C(=O)NC(=O)O1)c2cccc(c2)CN3c4ccccc4N(C3=O)c5c6ccc(cc6on5)OC,
,,6DGR,,,,,,,
,,,GDY:A:501,valid,,,,,c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3,
,,4YT1,,,,,,,
,,,JJB:B:901,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)c3ncccn3)C(=O)NS(=O)(=O)Cc4ccccc4,
,,2ZK6,,,,,,,
,,,C08:A:1,valid,,,,,[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F,
,,,C08:B:2,valid,,,,,[B-]1(n2c(ccc2CCCCCCCC)C=C3[N+]1=C(C=C3)CCCCC(=O)O)(F)F,
,,6L89,,,,,,,
,,,E7C:B:501,valid,Ki,=,2.64,uM,CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C,
,,,E7C:A:501,valid,Ki,=,2.64,uM,CC(=CCc1cc(ccc1O)C[C@@]2(C(=C(C(=O)O2)O)c3ccc(cc3)O)C(=O)OC)C,
,,6MCZ,,,,,,,
,,,ACD:A:501,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:501,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,3ADS,,,,,,,
,,,IMN:A:1,valid,Kd,=,9.73,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:A:2,valid,Kd,=,9.73,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:B:3,valid,Kd,=,9.73,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,3ET0,,,,,,,
,,,ET0:A:1,valid,,,,,COc1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,,GLC:B:2,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6MD0,,,,,,,
,,,OLA:A:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,5Y2T,,,,,,,
,,,8LX:A:501,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC,
,,,8LX:B:501,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3cc(ncn3)Oc4ccc(cc4)OC,
,,4E4Q,,,,,,,
,,,RRH:A:501,valid,,,,,CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O,
,,1KNU,,,,,,,
,,,YPA:A:1001,valid,,,,,CCO[C@@H](Cc1ccc(cc1)OCCn2c3ccccc3c4c2cccc4)C(=O)O,
,,2Q8S,,,,,,,
,,,L92:A:1001,valid,ic50,=,0.185,uM,Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4cccc4,
,,6E5A,,,,,,,
,,,HV4:A:501,valid,,,,,C#CCOc1ccc(cc1)/C=C2/C(=O)NC(=S)S2,
,,,HV4:B:501,valid,,,,,C#CCOc1ccc(cc1)/C=C2/C(=O)NC(=S)S2,
,,2YFE,,,,,,,
,,,YFE:A:999,valid,Ki,=,0.236,uM,CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C,
,,,YFE:B:999,valid,Ki,=,0.236,uM,CC(=CCc1c(cc(c(c1O)C(=O)O)CCc2ccccc2)OC)C,
,,4EM9,,,,,,,
,,,TCE:B:502,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,KNA:B:501,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:503,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:502,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:501,valid,,,,,CCCCCCCCC(=O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,2Q6S,,,,,,,
,,,PLB:B:5001,valid,,,,,c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl,
,,3AN4,,,,,,,
,,,M7R:A:1,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@@H](Cc6ccccc6)C(=O)O,
,,3PBA,,,,,,,
,,,PGO:B:6128,invalid,,,,,C[C@@H](CO)O,
,,,ZXG:A:1,valid,,,,,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)OS(=O)(=O)O)Br,
,,3ADV,,,,,,,
,,,SRO:A:1,valid,Kd,=,933,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:A:3,valid,Kd,=,933,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:4,valid,Kd,=,933,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,6ENQ,,,,,,,
,,,BJB:A:501,valid,,,,,c1cc2c(cc1S(=O)(=O)n3c4ccc(cc4cc3CCCC(=O)O)Cl)scn2,
,,6C1I,,,,,,,
,,,KNA:B:502,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:502,valid,,,,,CCCCCCCCC(=O)O,
,,,EEY:A:501,valid,ic50,=,85,nM,c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl,
,,,EEY:B:501,valid,ic50,=,85,nM,c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl,
,,2Q5S,,,,,,,
,,,NZA:A:7001,valid,,,,,c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl,
,,,NZA:B:5001,valid,,,,,c1ccc(cc1)Sc2c3cc(ccc3n(c2C(=O)O)Cc4ccc(cc4)Cl)Cl,
,,5F9B,,,,,,,
,,,5VN:B:501,valid,,,,,C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)CO)O,
,,6FZG,,,,,,,
,,,CL:A:551,invalid,,,,,[Cl-],
,,,EDK:A:550,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,,2I4P,,,,,,,
,,,DRH:A:999,valid,,,,,CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2,
,,6DHA,,,,,,,
,,,GFV:B:501,valid,Kd,=,708,nM,C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O,
,,,GFV:A:501,valid,Kd,=,708,nM,C[C@@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)NC(=O)S3)O,
,,,KNA:A:502,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:503,valid,,,,,CCCCCCCCC(=O)O,
,,6DGQ,,,,,,,
,,,GBV:A:501,valid,,,,,c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3CCSS3,
,,5LSG,,,,,,,
,,,QZQ:A:501,valid,Kd,=,4,uM,CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]5[C@@]4(C=C[C@@H](C5(C)C)O)C)C)C(=O)O,
,,5TTO,,,,,,,
,,,7KK:B:501,valid,,,,,c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl,
,,,7KK:A:501,valid,,,,,c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4cc(c(cc4F)Br)F)Cl,
,,5HZC,,,,,,,
,,,65W:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3,
,,,65W:B:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3,
,,3IA6,,,,,,,
,,,UNT:A:1,valid,ic50,=,0.003,uM,Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4,
,,,UNT:B:2,valid,ic50,=,0.003,uM,Cc1c(nc(o1)c2ccccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn4,
,,3ADX,,,,,,,
,,,IMN:A:2,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:B:3,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,NRO:A:1,invalid,,,,,CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-],
,,6F2L,,,,,,,
,,,AXY:A:501,valid,,,,,c1ccc(cc1)c2ccc(cc2)C[C@@H](C(=O)O)Oc3ccc(cc3)c4ccccc4,
,,3HOD,,,,,,,
,,,ZZH:A:1,valid,,,,,c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C(=O)O,
,,6AVI,,,,,,,
,,,KNA:B:503,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:B:502,valid,,,,,CCCCCCCCC(=O)O,
,,,KNA:A:502,valid,,,,,CCCCCCCCC(=O)O,
,,,GW9:A:501,invalid,,,,,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],
,,,GW9:B:501,invalid,,,,,c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-],
,,2I4Z,,,,,,,
,,,DRH:A:999,valid,,,,,CCCCCCC[N@@](CCc1ccc(cc1)O[C@@](C)(CC)C(=O)O)c2nc3ccccc3o2,
,Family. Representative Entry is ,6LG2,,,,,,,
,,,VNL:A:201,valid,Kd,=,6.99,uM,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:B:201,valid,Kd,=,6.99,uM,COc1cc(ccc1O)C(=O)[O-],
,,5Z7B,,,,,,,
,,,VNL:A:201,valid,Kd,=,13,uM,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:B:201,valid,Kd,=,13,uM,COc1cc(ccc1O)C(=O)[O-],
,Family. Representative Entry is ,1PEA,,,,,,,
,,,ACM:A:386,valid,,,,,CC(=O)N,
,Family. Representative Entry is ,3BBH,,,,,,,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:208,invalid,,,,,C(C(CO)O)O,
,,,SFG:A:206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,5EOU,,,,,,,
,,,MG:A:408,invalid,,,,,[Mg+2],
,,,MG:B:409,invalid,,,,,[Mg+2],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:B:408,invalid,,,,,[Na+],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,ATP:B:401,valid,Kd,=,4.37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5EOY,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5UWQ,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PEH,,,,,,,
,,,LYS ARG LYS SER ARG TRP ASP GLU THR PRO:C:333,valid,Kd,=,1.1,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)CCC(=O)[O-])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CO)C)CCCNC(=[NH2+])N)C([NH3+])CCCC[NH3+],
,,,LYS ARG LYS SER ARG TRP ASP GLU THR PRO:D:334,valid,Kd,=,1.1,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)CCC(=O)[O-])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CO)C)CCCNC(=[NH2+])N)C([NH3+])CCCC[NH3+],
,,6HIP,,,,,,,
,,,TRP:B:501,invalid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,NA:C:101,Part of Protein,,,,,[Na+],
,,,ARG ARG ARG ARG TRP ARG GLU ARG GLN:C:41,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC(=O)[O-])CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C([NH3+])CCCNC(=[NH2+])N,
,Family. Representative Entry is ,5UWJ,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5FS0,,,,,,,
,,,ZN:A:1210,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1209,Part of Protein,,,,,[Zn+2],
,,,5JC:B:1210,valid,Kd,=,0.6,uM,c1cc(c(cc1Cl)Cl)O,
,,,5JC:A:1209,valid,Kd,=,0.6,uM,c1cc(c(cc1Cl)Cl)O,
,,5FRY,,,,,,,
,,,ZN:B:1208,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1208,Part of Protein,,,,,[Zn+2],
,,,ERH:B:1209,valid,Kd,=,4,uM,Cc1cc(cc(c1)O)C,
,,,ERH:A:1209,valid,Kd,=,4,uM,Cc1cc(cc(c1)O)C,
,Family. Representative Entry is ,4YOE,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A   G   U  :E:15,valid,,,,,,
,Family. Representative Entry is ,3GXW,,,,,,,
,,,NA:A:104,Part of Protein,,,,,[Na+],
,,,NA:B:104,Part of Protein,,,,,[Na+],
,,,NA:C:104,Part of Protein,,,,,[Na+],
,,,NA:D:104,Part of Protein,,,,,[Na+],
,,,SIN:A:1003,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:1004,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,6O80,,,,,,,
,,,MGP:A:301,valid,Kd,=,21,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6O7Y,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LRM:A:301,valid,Kd,=,110,uM,C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N(C)C)OC)OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7)n8cnc9c8ncnc9N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=CC(=O)N(C1=O)C)OC)O)O)O,
,Family. Representative Entry is ,5BXV,,,,,,,
,,,MGP:C:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4EI7,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6ON4,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,P4K:B:301,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,SLB:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,6D6L,,,,,,,
,,,FY4:A:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-],
,,,FY4:B:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-],
,,,FY4:D:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-],
,,,FY4:C:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-],
,,6D6O,,,,,,,
,,,FX7:D:300,valid,,,,,CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FX7:A:300,valid,,,,,CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FX7:B:300,valid,,,,,CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FX7:C:300,valid,,,,,CCCCCCCC(=O)Oc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,6D6B,,,,,,,
,,,FXS:H:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:C:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:F:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:G:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:A:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:D:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:E:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,,FXS:B:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3[N+](=O)[O-])Br)Br)[N+](=O)[O-],
,,6D6P,,,,,,,
,,,FY1:B:300,valid,,,,,COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FY1:C:300,valid,,,,,COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FY1:D:300,valid,,,,,COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,,FY1:A:300,valid,,,,,COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-],
,,3JPU,,,,,,,
,,,TY4:A:174,valid,,,,,Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br,
,,,TY4:B:174,valid,,,,,Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br,
,,,TY4:C:174,valid,,,,,Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br,
,,,TY4:D:174,valid,,,,,Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br,
,,,TY4:E:174,valid,,,,,Cc1cc(cc(c1OC(=O)c2ccc(cc2Cl)Cl)CNC(=O)c3ccccc3Cl)Br,
,,6MVM,,,,,,,
,,,K4G:A:201,valid,,,,,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,K4G:B:201,valid,,,,,CCCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,3IX8,,,,,,,
,,,TX3:A:174,valid,,,,,Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl,
,,,TX3:B:174,valid,,,,,Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl,
,,,TX3:C:174,valid,,,,,Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl,
,,,TX3:D:174,valid,,,,,Cc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3Cl,
,,6D6N,,,,,,,
,,,PHE:C:201,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,FXJ:B:201,valid,,,,,COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXJ:D:201,valid,,,,,COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXJ:A:201,valid,,,,,COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXJ:C:202,valid,,,,,COc1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,2UV0,,,,,,,
,,,OHN:E:1169,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:F:1169,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:G:1168,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:H:1169,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,6D6C,,,,,,,
,,,HIS:H:201,invalid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,FYD:A:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:D:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:B:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:F:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:E:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:I:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:J:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:G:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:H:202,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:C:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:K:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FYD:L:201,valid,,,,,COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,6D6M,,,,,,,
,,,TX7:A:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-],
,,,TX7:D:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-],
,,,TX7:B:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-],
,,,TX7:C:300,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccc(cc3)Br)Br)Br)[N+](=O)[O-],
,,6D6A,,,,,,,
,,,FXD:B:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:A:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:C:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:G:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:E:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:F:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:D:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FXD:H:300,valid,,,,,c1ccc(cc1)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,3IX4,,,,,,,
,,,TX1:A:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:B:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:C:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:D:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:E:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:F:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:G:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,,TX1:H:174,valid,,,,,c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3ccccc3Cl)Br)Br)[N+](=O)[O-],
,,6D6D,,,,,,,
,,,FY7:B:300,valid,,,,,c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,,,FY7:A:300,valid,,,,,c1ccc(c(c1)C#N)C(=O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O-],
,Family. Representative Entry is ,3GZ9,,,,,,,
,,,B7G:A:570,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,D32:A:1,valid,Ki,=,0.004,uM,Cc1c(c(ccc1OCC(=O)O)Sc2ccc(cc2OCC#C)COc3ccc(cc3)C(F)(F)F)C,
,,2AWH,,,,,,,
,,,B7G:A:1920,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:920,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,VCA:A:1001,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,VCA:B:2001,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,5U3Y,,,,,,,
,,,7U7:B:501,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O,
,,,7U7:A:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O,
,,,B7G:A:507,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGO:B:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,5U3T,,,,,,,
,,,7UY:B:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3,
,,,7UY:A:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccsc3,
,,,PGO:B:508,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:509,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:512,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:511,invalid,,,,,C[C@@H](CO)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,B7G:A:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,,5U3X,,,,,,,
,,,PGO:B:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:506,invalid,,,,,C[C@@H](CO)O,
,,,7U4:B:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O,
,,,7U4:A:501,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccnc4)OCCCCCC(=O)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,B7G:A:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2BAW,,,,,,,
,,,B7G:A:920,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:921,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,VCA:A:201,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,VCA:B:478,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,5U3Z,,,,,,,
,,,PGO:A:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:509,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,,7UA:A:501,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O,
,,,7UA:B:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,B7G:A:505,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:508,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5U3Q,,,,,,,
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,PGO:B:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:508,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:506,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:508,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:510,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PEG:B:511,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,B7G:A:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,K:A:511,invalid,,,,,[K+],
,,,K:B:512,Part of Protein,,,,,[K+],
,,,7UJ:A:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3,
,,,7UJ:B:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccccc3,
,,5U45,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:504,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,7SY:B:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O,
,,,7SY:A:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4cccc(c4)F)OCCCCCC(=O)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,3SP9,,,,,,,
,,,IL2:A:901,valid,,,,,CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,
,,,IL2:B:901,valid,,,,,CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,
,,3GWX,,,,,,,
,,,EPA:A:1,valid,ic50,=,4,uM,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,EPA:B:3,valid,ic50,=,4,uM,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,5U3V,,,,,,,
,,,7TY:A:502,valid,,,,,c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O,
,,,7TY:B:502,valid,,,,,c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccoc4)OCCCCCC(=O)O,
,,,B7G:A:507,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PGO:B:501,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,2XYJ,,,,,,,
,,,1PE:A:1443,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,WLM:A:1441,valid,,,,,CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl,
,,,WLM:A:1442,valid,,,,,CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl,
,,,WLM:B:1441,valid,,,,,CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl,
,,,WLM:B:1442,valid,,,,,CC(C)c1nnc(s1)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl,
,,5U3S,,,,,,,
,,,7V4:B:502,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3,
,,,7V4:A:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccoc3,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,K:B:507,invalid,,,,,[K+],
,,,K:A:507,invalid,,,,,[K+],
,,,B7G:A:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGO:B:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:506,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,5U3W,,,,,,,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,7U1:B:501,valid,,,,,c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,7U1:A:502,valid,,,,,c1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:503,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5U40,,,,,,,
,,,B7G:A:507,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,7UD:A:501,valid,,,,,c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4,
,,,7UD:B:502,valid,,,,,c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccoc4,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:506,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,1GWX,,,,,,,
,,,433:A:1,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl,
,,,433:B:2,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)CCCN(CCc2c(cccc2Cl)F)C(=O)Nc3cccc(c3Cl)Cl,
,,5XMX,,,,,,,
,,,89L:A:900,valid,,,,,C/C(=CCOc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O,
,,,89L:B:900,valid,,,,,C/C(=CCOc1ccccc1CN(C)C(=O)c2ccc(cc2)c3ccco3)/CCC(=O)O,
,,5U44,,,,,,,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:501,invalid,,,,,C[C@@H](CO)O,
,,,7SV:B:502,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O,
,,,7SV:A:504,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)c3ccc(cc3)c4ccccc4F)OCCCCCC(=O)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:505,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3TKM,,,,,,,
,,,GOL:A:442,invalid,,,,,C(C(CO)O)O,
,,,GW0:A:1,valid,Kd,=,22,nM,Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C,
,,5U41,,,,,,,
,,,K:B:506,Part of Protein,,,,,[K+],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,,B7G:B:502,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,7UG:A:501,valid,,,,,c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4,
,,,7UG:B:503,valid,,,,,c1ccc(cc1)CN(Cc2ccccc2OCCCCCC(=O)O)C(=O)c3ccc(cc3)c4ccsc4,
,,5U42,,,,,,,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,B7G:A:507,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:508,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,7SM:B:501,valid,,,,,COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,7SM:A:502,valid,,,,,COc1cccc(c1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,PGO:A:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,5U3U,,,,,,,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:504,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGO:A:502,invalid,,,,,C[C@@H](CO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,7TV:A:501,valid,,,,,c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O,
,,5U46,,,,,,,
,,,PGO:A:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,7T1:B:502,valid,,,,,Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C,
,,,7T1:A:505,valid,,,,,Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:506,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5ZXI,,,,,,,
,,,9LU:A:900,valid,,,,,Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4,
,,,9LU:B:900,valid,,,,,Cc1cnc(n1Cc2ccccc2OCCCCCC(=O)O)c3ccc(cc3)c4ccco4,
,,5U3R,,,,,,,
,,,PGO:B:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:511,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:505,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:506,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:507,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,B7G:A:503,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PEG:B:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,7V1:A:502,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3,
,,,7V1:B:501,valid,,,,,CC(C)N(Cc1ccccc1OCCCCCC(=O)O)C(=O)c2ccc(cc2)c3ccco3,
,,3ET2,,,,,,,
,,,1BO:A:3,invalid,,,,,CCCCO,
,,,1BO:A:4,invalid,,,,,CCCCO,
,,,1BO:A:6,invalid,,,,,CCCCO,
,,,ET1:A:1,valid,,,,,COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O,
,,,ET1:B:2,valid,,,,,COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O,
,,5U43,,,,,,,
,,,PGO:A:502,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:503,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,,7SS:B:502,valid,,,,,COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,7SS:A:501,valid,,,,,COc1ccc(cc1)c2ccc(cc2)C(=O)N(Cc3ccccc3OCCCCCC(=O)O)C4CC4,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,B7G:A:505,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:B:501,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:506,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2B50,,,,,,,
,,,B7G:A:920,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,B7G:A:921,invalid,,,,,CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:A:1303,Part of Protein,,,,,[Ca+2],
,,,CA:B:2303,Part of Protein,,,,,[Ca+2],
,,,VCA:A:1001,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,VCA:B:2001,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,3PEQ,,,,,,,
,,,3EQ:A:1,valid,ic50,=,31.6,nM,CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O,
,,,3EQ:B:2,valid,ic50,=,31.6,nM,CCCC[N@@](c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O,
,,,IOD:A:2,invalid,,,,,[I-],
,,,IOD:A:6,invalid,,,,,[I-],
,,,IOD:A:7,invalid,,,,,[I-],
,,,IOD:A:8,invalid,,,,,[I-],
,,,IOD:B:3,invalid,,,,,[I-],
,,,IOD:B:5,invalid,,,,,[I-],
,,,JZR:A:3,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:A:478,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:B:478,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,4POJ,,,,,,,
,,,2VP:A:501,valid,Kd,=,8,nM,Cc1ccc2c(c1)/C(=C/C(=CC=CC(=CC(=O)O)C)/C)/CCC2,
,,2P1T,,,,,,,
,,,3TN:A:201,valid,,,,,CC1(CCC(c2c1cc(c(c2)OC)c3cc(ccc3O)C=CC(=O)O)(C)C)C,
,,4OC7,,,,,,,
,,,2QO:A:501,valid,,,,,C=CCc1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O,
,,5MJ5,,,,,,,
,,,7O0:A:501,valid,,,,,c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O,
,,4RMD,,,,,,,
,,,3SW:A:500,valid,Kd,=,35,nM,CC(C)CCC1=C(CCC/C1=CC(=C/C=C/C(=C/C(=O)O)/C)C)C2CC2,
,,4K4J,,,,,,,
,,,1O8:A:500,valid,,,,,C/C(=CC(=O)O)/C=C/C=C(/C)C=C1/CCCc2c1cccc2,
,,4PP5,,,,,,,
,,,2W0:A:500,valid,Kd,=,18,nM,Cc1cccc2c1CCC/C2=CC(=C/C=C/C(=C/C(=O)O)/C)C,
,,4PP3,,,,,,,
,,,2VZ:A:500,valid,Kd,=,15,nM,Cc1ccc2c(c1)CCC/C2=CC(=C/C=C/C(=C/C(=O)O)/C)C,
,,4POH,,,,,,,
,,,2VR:A:501,valid,Kd,=,10,nM,Cc1cccc2c1/C(=C/C(=CC=CC(=CC(=O)O)C)/C)/CCC2,
,,2P1U,,,,,,,
,,,4TN:A:201,valid,,,,,CCOc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C,
,,1MV9,,,,,,,
,,,HXA:A:200,valid,,,,,CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O,
,,4RFW,,,,,,,
,,,3RB:A:500,valid,Kd,=,9,nM,C/C(=CC(=O)O)/C=C/C=C(/C)C=C1/CCCCc2c1cccc2,
,,3FUG,,,,,,,
,,,2E3:A:1,valid,,,,,Cc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C,
,,6STI,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,754:A:501,valid,,,,,CCCOc1cc2c(cc1/C(=CC=CC(=CC(=O)O)C)/C)C(CCC2(C)C)(C)C,
,,3E94,,,,,,,
,,,ACT:A:463,invalid,,,,,CC(=O)[O-],
,,,TBY:A:1,valid,,,,,CCCC[Sn](CCCC)CCCC,
,,4K6I,,,,,,,
,,,9RA:A:500,valid,,,,,Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C,
,,2P1V,,,,,,,
,,,5TN:A:201,valid,,,,,CCCOc1cc2c(cc1c3cc(ccc3O)C=CC(=O)O)C(CCC2(C)C)(C)C,
,,7A77,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,PLM:A:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,4ZSH,,,,,,,
,,,4XW:A:501,valid,Kd,=,90,nM,C[C@H]1CC=CC([C@H]1CC[C@H](C)CCC[C@@H](C)CC(=O)O)(C)C,
,,3KWY,,,,,,,
,,,ACT:A:463,invalid,,,,,CC(=O)[O-],
,,,T9T:A:1,valid,,,,,c1ccc(cc1)[Sn](c2ccccc2)c3ccccc3,
,,4RME,,,,,,,
,,,3T2:A:500,valid,Kd,=,9,nM,CC(C)CCC1=C(CCC/C1=CC(=C/C=C/C(=C/C(=O)O)/C)C)C(C)C,
,,1MZN,,,,,,,
,,,BM6:A:200,valid,,,,,CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C,
,,,BM6:C:1200,valid,,,,,CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C,
,,,BM6:E:2200,valid,,,,,CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C,
,,,BM6:G:3200,valid,,,,,CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C,
,,1MVC,,,,,,,
,,,BM6:A:200,valid,,,,,CC1(CCC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])(C)C)C,
,,5LYQ,,,,,,,
,,,7BE:A:501,valid,,,,,CC1(CCC(c2c1cc3c(c2)O[C@@]4(CCc5cc(ccc5O4)C(=O)O)CC3)(C)C)C,
,Family. Representative Entry is ,1FM9,,,,,,,
,,,570:D:200,valid,Ki,=,1,nM,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5,
,,,9CR:A:201,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,1FM6,,,,,,,
,,,9CR:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9CR:U:502,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,BRL:D:503,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,,BRL:X:504,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,1K74,,,,,,,
,,,544:D:478,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=CC(=O)c4ccccc4)/C,
,,,9CR:A:463,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,Family. Representative Entry is ,5V03,,,,,,,
,,,CA:R:203,Part of Protein,,,,,[Ca+2],
,,,CA:R:202,Part of Protein,,,,,[Ca+2],
,,,658:R:201,valid,,,,,Cc1cc(n(n1)c2nccc(n2)Nc3ccc(cc3)Cl)C,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J9Z,,,,,,,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1KP:R:201,valid,,,,,c1cc(c(c2c1C(=NO)C(=O)N2)Cl)Cl,
,,,GOL:R:206,invalid,,,,,C(C(CO)O)O,
,,,CA:R:203,Part of Protein,,,,,[Ca+2],
,,,CA:R:202,Part of Protein,,,,,[Ca+2],
,,5WC5,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:R:1002,Part of Protein,,,,,[Ca+2],
,,,CA:R:1001,Part of Protein,,,,,[Ca+2],
,,,AJV:R:1005,valid,,,,,C1=CC2=C(C(=O)N=C2C(=C1)F)NO,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,4G28,,,,,,,
,,,0W8:R:1006,valid,,,,,CCN1c2ccccc2NC1=O,
,,,CA:R:1001,Part of Protein,,,,,[Ca+2],
,,,CA:R:1002,Part of Protein,,,,,[Ca+2],
,,,GOL:R:1003,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5V02,,,,,,,
,,,CA:R:203,Part of Protein,,,,,[Ca+2],
,,,CA:R:204,Part of Protein,,,,,[Ca+2],
,,,657:R:201,valid,,,,,c1cc2c(cc1OC(F)(F)F)sc(n2)N,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:R:202,invalid,,,,,C(C(CO)O)O,
,,5WBX,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:R:1002,Part of Protein,,,,,[Ca+2],
,,,CA:R:1001,Part of Protein,,,,,[Ca+2],
,,,AJY:R:1003,valid,,,,,Cc1cc2c(cc1Br)NC(=O)/C2=NO,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:1004,invalid,,,,,C(C(CO)O)O,
,,4G27,,,,,,,
,,,CA:R:1001,Part of Protein,,,,,[Ca+2],
,,,CA:R:1002,Part of Protein,,,,,[Ca+2],
,,,GOL:R:1003,invalid,,,,,C(C(CO)O)O,
,,,PHU:R:1006,valid,,,,,c1ccc(cc1)NC(=O)N,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZK9,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,MGP:A:1001,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PEG:A:1003,invalid,,,,,C(COCCO)O,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6AYI,,,,,,,
,,,C3G:C:201,valid,Kd,=,0.21,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,C3G:A:201,valid,Kd,=,0.21,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,C3G:B:201,valid,Kd,=,0.21,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,C3G:D:201,valid,Kd,=,0.21,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,Family. Representative Entry is ,5F1R,,,,,,,
,,,42O:B:301,valid,Kd,=,1,uM,c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O,
,,,42O:A:301,valid,Kd,=,1,uM,c1ccc2c(c1)cccc2CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O,
,,5LRR,,,,,,,
,,,NA:E:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,NA:F:302,Part of Protein,,,,,[Na+],
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PI:B:302,invalid,,,,,OP(=O)([O-])[O-],
,,,PI:B:303,invalid,,,,,OP(=O)([O-])[O-],
,,,PI:A:303,invalid,,,,,OP(=O)([O-])[O-],
,,6EXM,,,,,,,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,IPA:A:305,invalid,,,,,CC(C)O,
,,,IPA:A:304,invalid,,,,,CC(C)O,
,,,IPA:A:307,invalid,,,,,CC(C)O,
,,,IPA:A:306,invalid,,,,,CC(C)O,
,,,QQH:A:301,valid,ic50,=,3,uM,Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O,
,,,QQH:B:301,valid,ic50,=,3,uM,Cc1cccc(c1C)CC2=CC(=O)N3[C@@H](CSC3=C2[NH+](C)C)C(=O)O,
,,6EUT,,,,,,,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,IPA:A:303,invalid,,,,,CC(C)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,BY8:A:301,valid,,,,,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O,
,,,BY8:B:301,valid,,,,,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3C5CC5)C(=O)O,
,,6EV0,,,,,,,
,,,BYK:A:301,valid,ic50,=,1.8,uM,C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4,
,,,BYK:B:301,valid,ic50,=,1.8,uM,C[NH+](C)C1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4,
,,,IPA:B:303,invalid,,,,,CC(C)O,
,,,IPA:A:302,invalid,,,,,CC(C)O,
,,,C8N:B:302,valid,,,,,C[NH+](C)C1=C2N([C@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4,
,,6EXL,,,,,,,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,IPA:A:304,invalid,,,,,CC(C)O,
,,,IPA:B:303,invalid,,,,,CC(C)O,
,,,C2Q:B:301,valid,ic50,=,1.5,uM,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O,
,,,C2Q:A:301,valid,ic50,=,1.5,uM,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O,
,,6EXK,,,,,,,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,IPA:A:303,invalid,,,,,CC(C)O,
,,,IPA:B:303,invalid,,,,,CC(C)O,
,,,C2Q:A:301,valid,ic50,=,1.5,uM,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O,
,,,C2Q:B:301,valid,ic50,=,1.5,uM,Cc1ccc(c2c1cccc2)CC3=CC(=O)N4[C@@H](CSC4=C3[NH+](C)C)C(=O)O,
,,6EUZ,,,,,,,
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,IPA:B:302,invalid,,,,,CC(C)O,
,,,IPA:A:301,invalid,,,,,CC(C)O,
,,,IPA:A:302,invalid,,,,,CC(C)O,
,,,C8Q:B:301,valid,ic50,=,65.6,uM,COC1=C2N([C@@H](CS2)C(=O)O)C(=O)C=C1Cc3cccc4c3cccc4,
,,2BGC,,,,,,,
,,,DTT:F:1238,valid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTU:A:1238,valid,,,,,C([C@H]([C@H](CS)O)O)S,
,Family. Representative Entry is ,3BXF,,,,,,,
,,,13P:B:401,valid,Kd,=,3.34,uM,C(C(=O)COP(=O)(O)O)O,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,FBP:A:401,valid,Kd,=,2.87,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,3BXG,,,,,,,
,,,BG6:A:401,valid,Kd,=,10.98,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:B:401,valid,Kd,=,10.98,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,3BXH,,,,,,,
,,,F6P:A:401,valid,Kd,=,94.34,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:401,valid,Kd,=,94.34,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,SCN:A:1,invalid,,,,,C(#N)[S-],
,,,SCN:B:2,invalid,,,,,C(#N)[S-],
,,3BXE,,,,,,,
,,,13P:A:401,valid,Kd,=,3.34,uM,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:401,valid,Kd,=,3.34,uM,C(C(=O)COP(=O)(O)O)O,
,,2OKG,,,,,,,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,G3H:B:501,valid,Kd,=,63.29,uM,C([C@H](C=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2IYG,,,,,,,
,,,DTT:B:1123,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTU:A:1123,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,FMN:A:1122,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1122,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5NI5,,,,,,,
,,,8YB:A:601,valid,ic50,=,0.009,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,5NI7,,,,,,,
,,,8Y8:A:601,valid,ic50,=,0.02,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cc(ccc3OC)C#N,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,6R7K,,,,,,,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,JUH:A:601,valid,ic50,=,0.00000001,M,CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)Cc3ccccc3,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,5NI8,,,,,,,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,8Y2:A:601,valid,ic50,=,0.02,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccccc4,
,,5NIB,,,,,,,
,,,8Y5:A:601,valid,ic50,=,0.019,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4cccc(c4)C#N,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,6R7A,,,,,,,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,JUE:A:601,valid,,,,,CC(C)c1ccc(cc1)NC(=O)[C@@H](c2ccc(cc2)OC)NC(=O)C3=CCC(=O)N=C3,
,,6R7J,,,,,,,
,,,JUN:A:601,valid,ic50,=,0.00000001,M,CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)NC(=O)C,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,1WPV,,,,,,,
,,,HIS:A:1001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:2001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:3001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,1WRN,,,,,,,
,,,HIS:A:1001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:2001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:3001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,MN:A:4002,Part of Protein,,,,,[Mn+2],
,,,MN:B:4003,Part of Protein,,,,,[Mn+2],
,,,MN:C:4001,Part of Protein,,,,,[Mn+2],
,,,PEG:A:3801,invalid,,,,,C(COCCO)O,
,,,PEG:A:3802,invalid,,,,,C(COCCO)O,
,,,PEG:A:3804,invalid,,,,,C(COCCO)O,
,,,PEG:A:3806,invalid,,,,,C(COCCO)O,
,,,PEG:B:3803,invalid,,,,,C(COCCO)O,
,,,PEG:C:3805,invalid,,,,,C(COCCO)O,
,,1WRO,,,,,,,
,,,BA:A:4002,Part of Protein,,,,,[Ba+2],
,,,BA:A:4004,Part of Protein,,,,,[Ba+2],
,,,BA:A:4006,Part of Protein,,,,,[Ba+2],
,,,BA:B:4003,Part of Protein,,,,,[Ba+2],
,,,BA:B:4005,Part of Protein,,,,,[Ba+2],
,,,BA:C:4001,Part of Protein,,,,,[Ba+2],
,,,HIS:A:1001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:2001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:3001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,4H4L,,,,,,,
,,,ZN:I:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:K:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:202,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:202,Part of Protein,,,,,[Zn+2],
,,,ZN:G:202,Part of Protein,,,,,[Zn+2],
,,,ZN:F:202,Part of Protein,,,,,[Zn+2],
,,,ZN:J:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,HIS:I:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:D:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:G:203,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:F:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:G:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:D:203,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:L:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:J:201,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:J:203,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4RPO,,,,,,,
,,,T6C:C:401,valid,Kd,=,22.8,nM,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:D:402,valid,Kd,=,22.8,nM,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:A:401,valid,Kd,=,22.8,nM,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:B:401,valid,Kd,=,22.8,nM,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DMS:D:401,invalid,,,,,CS(=O)C,
,,4RPN,,,,,,,
,,,PCI:D:401,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:C:401,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:D:402,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:A:402,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:B:401,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:A:401,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:B:402,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:C:402,valid,Kd,=,110,nM,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,Family. Representative Entry is ,4RD0,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GDP:A:503,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:501,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4RD6,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GDP:A:501,valid,Kd,=,0.52,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4RD2,,,,,,,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4RD4,,,,,,,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4RD1,,,,,,,
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:506,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MPD:A:508,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:507,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,6H6K,,,,,,,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:502,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,GCP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:E:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4RCY,,,,,,,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GDP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4RD3,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,4RCZ,,,,,,,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2POG,,,,,,,
,,,WST:A:201,valid,Ki,=,0.29,nM,c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,,WST:B:301,valid,Ki,=,0.29,nM,c1cc(c2c(c1)O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,3ERT,,,,,,,
,,,OHT:A:600,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,6WOK,,,,,,,
,,,U6D:B:601,valid,ic50,=,1.6,nM,C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F,
,,,U6D:C:601,valid,ic50,=,1.6,nM,C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F,
,,,U6D:A:601,valid,ic50,=,1.6,nM,C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)OCCN5CC(C5)CF)F,
,,,G9J:A:602,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:C:602,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:D:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,1YIM,,,,,,,
,,,CM4:A:600,valid,ic50,=,1.5,nM,C[C@@H]1c2cc(ccc2O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCC5)O,
,,6DF6,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,G8Y:B:601,valid,ic50,=,0.059,uM,c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,,G8Y:D:601,valid,ic50,=,0.059,uM,c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,,G8Y:C:601,valid,ic50,=,0.059,uM,c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,,G8Y:A:601,valid,ic50,=,0.059,uM,c1cc(ccc1[C@@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,5W9C,,,,,,,
,,,OHT:B:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:D:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:A:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:C:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,1XP6,,,,,,,
,,,AIU:A:600,valid,ic50,=,0.4,nM,C[C@@H]1CN(C[C@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O,
,,5FQT,,,,,,,
,,,7QN:A:1546,valid,ic50,=,160,nM,Cc1c(ccc2c1CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C)O,
,,4IW6,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GU:B:601,valid,,,,,C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,,1GU:A:601,valid,,,,,C=CCCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,5FQV,,,,,,,
,,,VQI:A:1546,valid,ic50,=,610,nM,Cc1cc2c(cc1O)CCN([C@@H]2c3ccc(cc3)/C=C/C(=O)O)CC(C)C,
,,4IW8,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,KN3:A:601,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,,KN3:B:601,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,5FQR,,,,,,,
,,,QHG:A:1546,valid,ic50,=,26,nM,CC(C)CN1CCc2cc(ccc2[C@H]1c3ccc(cc3)/C=C/C(=O)O)O,
,,6SBO,,,,,,,
,,,L5B:B:4000,valid,,,,,c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF,
,,,L5B:A:4000,valid,,,,,c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)CCCF,
,,2IOG,,,,,,,
,,,IOG:A:600,valid,ic50,=,8,nM,C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccc(cc3[nH]c2c4ccccc4)OCCN5CCCCC5,
,,1GWQ,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:688,valid,Kd,=,76,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,Kd,=,76,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,ZTW:A:600,valid,,,,,c1cc(ccc1c2cc3ccc(cc3s2)O)O,
,,,ZTW:B:600,valid,,,,,c1cc(ccc1c2cc3ccc(cc3s2)O)O,
,,6DFN,,,,,,,
,,,NI:A:602,invalid,,,,,[Ni+2],
,,,G91:B:601,valid,ic50,=,0.055,uM,c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,,G91:D:602,valid,ic50,=,0.055,uM,c1cc(ccc1[C@H]2C3=C(CCOc4c3ccc(c4)O)c5ccc(cc5O2)O)OCCN6CC(C6)CF,
,,,G9J:B:602,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:A:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:C:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:D:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,4IVW,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GJ:A:601,valid,,,,,c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O,
,,,1GJ:B:601,valid,,,,,c1ccc(cc1)Cn2c(c3cccc(c3n2)C(F)(F)F)c4ccc(cc4O)O,
,,5U2B,,,,,,,
,,,6WV:D:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:C:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:E:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,,6WV:F:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2Nc5ccccc5)O,
,,4IUI,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GQ:B:601,valid,,,,,CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,1GQ:A:601,valid,,,,,CCCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,1XQC,,,,,,,
,,,AEJ:A:1001,valid,ic50,=,63,nM,c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O,
,,,AEJ:B:2001,valid,ic50,=,63,nM,c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O,
,,,AEJ:C:3001,valid,ic50,=,63,nM,c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O,
,,,AEJ:D:4001,valid,ic50,=,63,nM,c1ccc(cc1)[N@@]2CCc3cc(ccc3[C@H]2c4ccc(cc4)[N@]5CC[N@@]6CCCC[C@H]6C5)O,
,,1UOM,,,,,,,
,,,PTI:A:1547,valid,ic50,=,19,nM,c1ccc(cc1)N2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCCC5)O,
,,1XP1,,,,,,,
,,,AIH:A:600,valid,ic50,=,0.5,nM,C[C@H]1CN(C[C@@H]1C)CCOc2ccc(cc2)[C@H]3[C@H](Sc4cc(ccc4O3)O)c5ccc(cc5)O,
,,2QXS,,,,,,,
,,,RAL:A:600,valid,,,,,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,
,,,RAL:B:600,valid,,,,,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,
,,6CHZ,,,,,,,
,,,F3D:A:601,valid,,,,,CC/C(=C(/c1ccc(cc1)OCCNCCCC(=O)N(C)C)c2ccc3c(c2)cn[nH]3)/c4ccccc4,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,2Q70,,,,,,,
,,,DC8:A:50,valid,Ki,=,8.3,nM,c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O,
,,,DC8:B:51,valid,Ki,=,8.3,nM,c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O,
,,2R6W,,,,,,,
,,,LLB:A:1,valid,Ki,=,0.44,nM,CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O,
,,,LLB:B:1,valid,Ki,=,0.44,nM,CC1CCN(CC1)CCOc2ccc(cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O,
,,2QE4,,,,,,,
,,,JJ3:A:601,valid,Ki,=,11,nM,COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,,JJ3:B:601,valid,Ki,=,11,nM,COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,5AK2,,,,,,,
,,,85Z:A:1553,valid,ic50,=,0.0039,uM,Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F,
,,,85Z:B:1546,valid,ic50,=,0.0039,uM,Cc1cc(ccc1C2=C(c3ccc(cc3OC2=O)O)Cc4ccc(cc4)/C=C/C(=O)O)F,
,,1XP9,,,,,,,
,,,AIJ:A:600,valid,ic50,=,1.3,nM,C[C@@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5,
,,4IV4,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GS:A:601,valid,,,,,CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,,1GS:B:601,valid,,,,,CC(C)Cn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,5UFW,,,,,,,
,,,86V:A:601,valid,,,,,C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O,
,,,86V:B:601,invalid,,,,,C[C@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O,
,,2IOK,,,,,,,
,,,IOK:A:600,valid,ic50,=,1,nM,C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4,
,,,IOK:B:1600,valid,ic50,=,1,nM,C[C@H](CCc1ccc(cc1)O)NC(=O)Cc2c3ccccc3[nH]c2c4ccccc4,
,,3OSA,,,,,,,
,,,KN3:A:1,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,,KN3:B:1,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,,KN3:C:1,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,,KN3:D:1,valid,,,,,CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O)C,
,,5TN9,,,,,,,
,,,7EC:C:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O,
,,,7EC:B:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O,
,,,7EC:A:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O,
,,,7EC:D:601,valid,,,,,c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)OCCN6CCCCC6)O,
,,3UUC,,,,,,,
,,,0D1:A:1,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O,
,,,0D1:B:1,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O,
,,,0D1:C:1,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O,
,,,0D1:D:1,valid,,,,,c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)O)O,
,,1GWR,,,,,,,
,,,ASN ALA LEU LEU ARG TYR LEU LEU ASP:C:742,valid,Kd,=,250,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)C)C([NH3+])CC(=O)N,
,,,ASN ALA LEU LEU ARG TYR LEU LEU ASP:D:742,valid,Kd,=,250,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(C)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)C)C([NH3+])CC(=O)N,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,4PP6,,,,,,,
,,,STL:B:601,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:A:601,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,2OUZ,,,,,,,
,,,C3D:A:999,valid,,,,,c1ccc(cc1)[C@H]2CCc3cc(ccc3[C@H]2c4ccc(cc4)OCCN5CCCC5)O,
,,3OS9,,,,,,,
,,,KN1:A:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:A:2,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:B:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:B:2,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:C:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:C:554,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:D:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:D:554,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,1XPC,,,,,,,
,,,AIT:A:600,valid,ic50,=,1.7,nM,C[C@H](COc1ccc(cc1)[C@H]2[C@H](Sc3cc(ccc3O2)O)c4ccc(cc4)O)N5CCCC5,
,,6SQ0,,,,,,,
,,,LRQ:A:601,valid,ic50,=,0.00000001,M,CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F,
,,,LRQ:B:601,valid,ic50,=,0.00000001,M,CC(C)(CN1[C@@H]2CCC[C@]1(c3c(c4ccccc4[nH]3)C2)c5c(cc(cc5F)/C=C/C(=O)O)F)F,
,,2R6Y,,,,,,,
,,,LLC:A:1,valid,Ki,=,0.32,nM,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O,
,,,LLC:B:1,valid,Ki,=,0.32,nM,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCC5)O,
,,4IU7,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GM:B:601,valid,,,,,CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,,1GM:A:601,valid,,,,,CCn1c(c2cccc(c2n1)C(F)(F)F)c3ccc(cc3O)O,
,,5TNB,,,,,,,
,,,7EB:C:601,valid,,,,,CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,,7EB:B:601,valid,,,,,CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,,7EB:A:601,valid,,,,,CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,,7EB:D:601,valid,,,,,CN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O,
,,1SJ0,,,,,,,
,,,E4D:A:600,valid,ic50,=,0.8,nM,c1cc(ccc1[C@@H]2[C@@H](Oc3ccc(cc3S2)O)c4ccc(cc4)OCCN5CCCCC5)O,
,,5T92,,,,,,,
,,,77W:A:601,valid,ic50,=,16,nM,C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O,
,,,77W:B:601,valid,ic50,=,16,nM,C[C@]1(c2ccc(cc2CCN1c3ccc(cc3)F)O)c4ccc(cc4)/C=C/C(=O)O,
,,5W9D,,,,,,,
,,,9XY:B:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3,
,,,9XY:A:601,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3,
,,3DT3,,,,,,,
,,,369:A:1,valid,,,,,Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O,
,,,369:B:2,valid,,,,,Cc1cc2cc(ccc2c(c1c3cccc(c3)O)Oc4ccc(cc4)O)O,
,,5AAU,,,,,,,
,,,XBR:A:1553,valid,ic50,=,13.8,uM,c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl,
,,,XBR:B:1547,valid,ic50,=,13.8,uM,c1ccc2c(c1)c3c([nH]2)[C@H](N(CC3)CCC(=O)O)c4ccc(cc4)Cl,
,,6PET,,,,,,,
,,,ODY:A:601,valid,,,,,CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O,
,,,ODY:B:601,valid,,,,,CC1=C([C@@H](Oc2c1cccc2O)c3ccc(cc3)OCCN4CC(C4)CF)c5cccc(c5)O,
,,,G9J:C:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,G9J:D:601,valid,,,,,CC1=C([C@@H](Oc2c1cc(cc2)O)c3ccc(cc3)I)c4cccc(c4)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,DMS:B:602,invalid,,,,,CS(=O)C,
,,6SUO,,,,,,,
,,,LVH:B:601,valid,ic50,=,0.00000001,M,C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F,
,,,LVH:A:601,valid,ic50,=,0.00000001,M,C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C)F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F,
,,5UFX,,,,,,,
,,,86Y:A:601,valid,,,,,C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O,
,,,86Y:B:601,invalid,,,,,C[C@@H]1CCN(C1)CCOc2ccc(cc2)[C@H]3C(=C(c4ccc(cc4O3)O)C)c5ccc(cc5)O,
,,4IV2,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GR:A:601,valid,,,,,CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,1GR:B:601,valid,,,,,CC(C)Cn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,4IWC,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GV:B:601,valid,,,,,Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O,
,,,1GV:A:601,valid,,,,,Cc1cc(ccc1c2ccc(s2)c3ccc(cc3C)O)O,
,,5FQP,,,,,,,
,,,GQD:A:1549,valid,ic50,=,19,nM,C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(cc3)/C=C/C(=O)O)O,
,,1YIN,,,,,,,
,,,CM3:A:600,valid,ic50,=,1.4,nM,C[C@@H]1c2c(ccc(c2F)O)O[C@H]([C@H]1c3ccc(cc3)O)c4ccc(cc4)OCCN5CCCCC5,
,,4IVY,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,1GT:B:601,valid,,,,,C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,1GT:A:601,valid,,,,,C=CCCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,2AYR,,,,,,,
,,,L4G:A:201,valid,Ki,=,0.51,nM,CS(=O)(=O)c1ccc(cc1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5)O,
,,4IWF,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:C:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:D:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,15Q:A:601,valid,,,,,c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O,
,,,15Q:B:601,valid,,,,,c1cc(c(cc1c2ccc(c(c2Cl)/C=N/O)O)F)O,
,,5FQS,,,,,,,
,,,J0W:A:1546,valid,ic50,=,44,nM,CC(C)CN1CCc2cc(ccc2[C@@]1(C)c3ccc(cc3)/C=C/C(=O)O)O,
,,1QKT,,,,,,,
,,,EST:A:600,valid,Kd,=,0.92,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,6IAR,,,,,,,
,,,H8W:A:601,valid,,,,,CC(C)CN1CCc2c(ccc3c2cn[nH]3)[C@H]1c4ccc(cc4)CCC(=O)O,
,,5ACC,,,,,,,
,,,KE9:A:1546,valid,ic50,=,0.676,nM,C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(C)(C)F)c4c(cc(cc4F)/C=C/C(=O)O)F,
,Family. Representative Entry is ,2W97,,,,,,,
,,,GOL:A:1222,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1220,invalid,,,,,C(C(CO)O)O,
,,,MGO:A:1218,valid,Kd,~,9,nM,C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PGE:A:1219,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1219,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1YRX,,,,,,,
,,,D9G:A:302,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,D9G:A:303,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,D9G:A:306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,D9G:C:301,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,D9G:C:304,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,D9G:C:305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-],
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:203,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5OJY,,,,,,,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,9XB:A:304,valid,,,,,CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C(=O)O[C@H]([C@@H]([C@@H]3CC[C@@H](O3)[C@H](C(=O)O1)C)C)[C@H](C)[C@H]4CC[C@H](O4)C[C@@H](CCC)N(C)C)C,
,Family. Representative Entry is ,3KP6,,,,,,,
,,,CAC:B:2001,invalid,,,,,C[As](=O)(C)[O-],
,,,SAL:A:3002,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:3005,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3001,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3003,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3004,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3006,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3007,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:3008,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,4XXH,,,,,,,
,,,GLC G6P:D:1,valid,Kd,=,10,uM,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:C:1,valid,Kd,=,10,uM,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,Family. Representative Entry is ,4CT7,,,,,,,
,,,MES:B:1285,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,TRP:B:1286,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,4CRV,,,,,,,
,,,GOL:B:1801,invalid,,,,,C(C(CO)O)O,
,,,TRP:B:1800,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3FYH,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,W:A:511,invalid,,,,,[W+6],
,,,W:A:512,invalid,,,,,[W+6],
,,,W:A:513,invalid,,,,,[W+6],
,,,W:A:514,invalid,,,,,[W+6],
,,,W:A:515,invalid,,,,,[W+6],
,,,W:A:516,invalid,,,,,[W+6],
,,,W:A:517,invalid,,,,,[W+6],
,,,W:A:518,invalid,,,,,[W+6],
,,,W:A:519,invalid,,,,,[W+6],
,,,W:A:520,invalid,,,,,[W+6],
,,,W:A:521,invalid,,,,,[W+6],
,,,W:A:522,invalid,,,,,[W+6],
,,,W:A:523,invalid,,,,,[W+6],
,,,W:A:524,invalid,,,,,[W+6],
,,,W:A:525,invalid,,,,,[W+6],
,,,W:A:526,invalid,,,,,[W+6],
,,,W:A:527,invalid,,,,,[W+6],
,,,W:A:528,invalid,,,,,[W+6],
,,,W:A:529,invalid,,,,,[W+6],
,,,W:A:530,invalid,,,,,[W+6],
,,,W:A:531,invalid,,,,,[W+6],
,,,W:A:532,invalid,,,,,[W+6],
,,,W:A:533,invalid,,,,,[W+6],
,,,W:A:534,invalid,,,,,[W+6],
,,2FPK,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,1T4G,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,2FPL,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:A:506,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,2FPM,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:506,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,2I1Q,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,3NTU,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,2F1J,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,1XU4,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OBU,,,,,,,
,,,PRO GLU PRO THR ALA PRO PRO GLU GLU:B:5,valid,Kd,=,50,uM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C4[NH2+]CCC4)CCC(=O)[O-])CCC3)C(O)C)C)CCC2)CCC1)CCC(=O)[O-])CCC(=O)[O-],
,,3OBQ,,,,,,,
,,,PRO THR PRO SER ALA PRO VAL PRO LEU:B:346,valid,Kd,=,290,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C4[NH2+]CCC4)C(O)C)CCC3)CO)C)CCC2)C(C)C)CCC1)CC(C)C,
,,3OBX,,,,,,,
,,,PRO GLU ALA THR ALA PRO PRO GLU GLU:B:5,valid,Kd,=,130,uM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3[NH2+]CCC3)CCC(=O)[O-])C)C(O)C)C)CCC2)CCC1)CCC(=O)[O-])CCC(=O)[O-],
,Family. Representative Entry is ,1LNX,,,,,,,
,,,ACY:C:8102,invalid,,,,,CC(=O)O,
,,,ACY:D:8101,invalid,,,,,CC(=O)O,
,,,GOL:A:8209,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:8208,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:8207,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:8204,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:8205,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:8210,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:8203,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:8206,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:8201,invalid,,,,,C(C(CO)O)O,
,,,URI:A:8003,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:B:8004,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:D:8005,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:D:8006,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:E:8007,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:F:8001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:G:8002,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,1Y9Q,,,,,,,
,,,MED:A:201,valid,,,,,CSCC[C@H](C(=O)O)N,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6X2Y,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,EDO:C:1103,invalid,,,,,C(CO)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1QO0,,,,,,,
,,,BMD:A:400,valid,,,,,CCCC(=O)N,
,,,BMD:B:500,valid,,,,,CCCC(=O)N,
,Family. Representative Entry is ,6CC0,,,,,,,
,,,EWM:A:301,valid,,,,,CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,,,EWM:B:301,valid,,,,,CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,4N9I,,,,,,,
,,,PCG:D:301,valid,Kd,=,25.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:A:301,valid,Kd,=,25.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:301,valid,Kd,=,25.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:C:301,valid,Kd,=,25.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,4I09,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4HZF,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,2GZW,,,,,,,
,,,CMP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:973,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:2301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:2302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:2401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:2973,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4I0B,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1HW5,,,,,,,
,,,CMP:A:210,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:211,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:210,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4FT8,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO:B:309,Part of Protein,,,,,[Co+2],
,,,CO:A:308,Part of Protein,,,,,[Co+2],
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1I5Z,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,TRS:A:351,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:352,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1G6N,,,,,,,
,,,CMP:A:621,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:622,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4I02,,,,,,,
,,,CMP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1I6X,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,TRS:A:351,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4I01,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4I0A,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,4R8H,,,,,,,
,,,SP1:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,SP1:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,SP1:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,SP1:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1RTW,,,,,,,
,,,MP5:A:1213,valid,,,,,Cc1ncc(c(n1)N)COP(=O)(O)O,
,,,PO4:B:2214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:4214,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1NQ7,,,,,,,
,,,ARL:A:800,valid,Ki,=,0.16,uM,CC(=C/C(=O)O)C=CC=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU:B:687,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,Family. Representative Entry is ,4M3B,,,,,,,
,,,2B2:A:301,valid,ic50,=,0.4,uM,Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,5J1U,,,,,,,
,,,P93:A:301,valid,,,,,c1cocc1CNC(=O)N2CCCC2,
,,5MYT,,,,,,,
,,,ZQC:A:301,valid,,,,,CSc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3,
,,3SFI,,,,,,,
,,,3SF:A:217,valid,ic50,=,0.4,uM,c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F,
,,3Q0W,,,,,,,
,,,GOL:A:218,invalid,,,,,C(C(CO)O)O,
,,,LL5:A:217,valid,,,,,CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N,
,,6HO0,,,,,,,
,,,GFK:A:301,valid,,,,,COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(=O)CCC(F)(F)F,
,,4M3E,,,,,,,
,,,2B3:A:301,valid,ic50,=,0.56,uM,CCCS(=O)(=O)NCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,1U9N,,,,,,,
,,,CNS:A:1001,valid,,,,,CCCCCCCCCCCCCCCCOC(=O)CCCCCCC,
,,5MYS,,,,,,,
,,,YP6:A:301,valid,ic50,=,50,uM,c1ccnc(c1)c2csc(n2)NC(=O)COc3cccc(c3)F,
,,6HOF,,,,,,,
,,,GJ8:A:301,valid,,,,,c1ccc(cc1)S(=O)(=O)NCc2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F,
,,5F08,,,,,,,
,,,5TG:A:301,valid,Kd,=,3,uM,CC(C)(C)OC(=O)N(C)Cc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3,
,,5MYL,,,,,,,
,,,Q2N:A:301,valid,ic50,=,9.9,uM,c1ccnc(c1)c2csc(n2)NC(=O)Cc3ccc(cc3)F,
,,6HOA,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GGN:A:301,valid,,,,,CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc3)C(=O)NCCC(F)(F)F,
,,3O8G,,,,,,,
,,,O8G:A:217,valid,ic50,=,7.4,uM,c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CN=[N+]=[N-],
,,5F0C,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5TE:A:301,valid,,,,,c1cc(cc(c1)N2CCCCC2)NC(=O)CCC3CCCC3,
,,6HO8,,,,,,,
,,,GG8:A:301,valid,,,,,c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F,
,,5IOY,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6C5:A:301,valid,Kd,=,6,uM,C1CCC(C1)CNC(=O)N2CCCC2,
,,,6C5:A:304,valid,Kd,=,6,uM,C1CCC(C1)CNC(=O)N2CCCC2,
,,,6C5:A:302,valid,Kd,=,6,uM,C1CCC(C1)CNC(=O)N2CCCC2,
,,5F1J,,,,,,,
,,,5TO:A:301,valid,Kd,=,12,uM,C1CCC(C1)CCC(=O)N2CCCC2,
,,,5TO:A:302,valid,Kd,=,12,uM,C1CCC(C1)CCC(=O)N2CCCC2,
,,5F27,,,,,,,
,,,5TT:A:301,valid,,,,,CNCc1ccc(cc1)N2CCCCC2,
,,,5TT:A:302,valid,,,,,CNCc1ccc(cc1)N2CCCCC2,
,,5MYR,,,,,,,
,,,UDY:A:301,valid,ic50,=,22,uM,c1ccnc(c1)c2csc(n2)Nc3nc4ccc(cc4s3)F,
,,6HO5,,,,,,,
,,,GH8:A:301,valid,,,,,CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)NCc5ccccc5,
,,5MYM,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,HYV:C:301,valid,ic50,=,3.9,uM,c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5,
,,,HYV:B:301,valid,ic50,=,3.9,uM,c1ccc(cc1)CC2CCN(CC2)C(=O)C3CCN(CC3)c4nnc(s4)n5cccc5,
,,5NJ0,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8YW:A:301,valid,,,,,c1cc(ccc1[C@H](CNC(=O)c2ccc3c(c2)OCO3)O)[N+](=O)[O-],
,,5NIZ,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8YT:A:301,valid,,,,,C[C@@H]1C[C@H]1c2ccc(o2)CCC(=O)N3CCC(CC3)C(=O)N,
,,5J3L,,,,,,,
,,,6FR:A:301,valid,Kd,=,16,uM,C1CCC(C1)CCS(=O)(=O)N2CCCC2,
,,6HO2,,,,,,,
,,,GHN:A:301,valid,,,,,CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F,
,,4M3G,,,,,,,
,,,2G1:A:301,valid,ic50,=,0.55,uM,Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F,
,,6R1P,,,,,,,
,,,JPH:A:301,valid,,,,,CC1=CC(=O)N=C(N1)CCn2cc(nn2)c3ccc4c(c3)OCCO4,
,,6HOC,,,,,,,
,,,GJE:A:301,valid,,,,,c1cc(ccc1C(=O)NCCC(F)(F)F)N=[N+]=[N-],
,,3O8H,,,,,,,
,,,O8H:A:217,valid,ic50,=,580,nM,c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)Cn4cc(nn4)CNS(=O)(=O)c5ccc(cc5)I,
,,5MXK,,,,,,,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,ZHA:A:301,valid,ic50,=,150,uM,CC(=O)Nc1ccc2c(c1)CCCC2=O,
,,5IOZ,,,,,,,
,,,6C4:A:301,valid,Kd,=,11,uM,C1CCC(C1)CNC(=O)C2CCCC2,
,,6HOB,,,,,,,
,,,GJ5:A:301,valid,,,,,CC(C)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,6HNX,,,,,,,
,,,GFZ:A:301,valid,,,,,CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(cc4)C(=O)Nc5ccccc5,
,,6HO7,,,,,,,
,,,GHQ:A:301,valid,,,,,c1ccc(cc1)C(=O)NCCC(F)(F)F,
,,5EZH,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,841:A:302,valid,Kd,=,24,uM,c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3,
,,,841:A:301,valid,Kd,=,24,uM,c1ccnc(c1)N2CCC(CC2)CNC(=O)N3CCCC3,
,,5MWO,,,,,,,
,,,J6W:A:301,valid,ic50,=,0.19,mM,Cc1ccc2c(c1)cc(s2)CO,
,,,J6W:A:302,valid,ic50,=,0.19,mM,Cc1ccc2c(c1)cc(s2)CO,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,5EYR,,,,,,,
,,,5T0:A:301,valid,Kd,=,5,uM,CNCc1ccc(cc1)N2CCC(CC2)CCC(=O)N3CCCC3,
,,6HO4,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GFQ:A:301,valid,,,,,CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,3G1O,,,,,,,
,,,RF1:A:237,valid,ic50,=,38,uM,CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3,
,,5NIO,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8YH:A:301,valid,,,,,CCCCNC(=O)N1CCC(CC1)C,
,,6HO1,,,,,,,
,,,GFW:A:302,valid,,,,,CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,5F0H,,,,,,,
,,,5TC:A:301,valid,ic50,=,33,uM,c1cc(ccc1CNC(=O)CCC2CCN(CC2)c3ccc(cc3)C#N)N4CCCCC4,
,,4M3D,,,,,,,
,,,2H2:A:301,valid,ic50,=,3.9,uM,c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)C(=O)NCCC(F)(F)F,
,,5J1R,,,,,,,
,,,6FG:A:301,valid,Kd,=,22,uM,c1cocc1CCC(=O)N2CCCC2,
,,6HOE,,,,,,,
,,,GH2:A:301,valid,,,,,CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,3SDG,,,,,,,
,,,3SE:A:217,valid,ic50,=,2.8,uM,c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F,
,,6HOD,,,,,,,
,,,GHK:A:301,valid,,,,,c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)N,
,,6HNZ,,,,,,,
,,,GH5:A:301,valid,,,,,c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)(F)F,
,,6HO9,,,,,,,
,,,GHB:A:301,valid,,,,,CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)F,
,,4DW6,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NH4:A:302,invalid,,,,,[NH4+],
,,,0MN:A:301,valid,,,,,COc1cccc(c1)OCC(=O)Nc2ccc(cc2)c3nc4ccccc4s3,
,,3G1L,,,,,,,
,,,RF2:A:237,valid,,,,,c1ccc(cc1)c2[nH]c(nn2)c3ccc(cc3)F,
,,5IP6,,,,,,,
,,,6C9:A:301,valid,,,,,C1CCN(C1)C(=O)NC[C@@H]2CCOC2,
,,5MXV,,,,,,,
,,,K3T:A:301,valid,ic50,=,12,uM,c1cc2c(cc1F)sc(c2Cl)C(=O)NC3=NCCS3,
,,5IPA,,,,,,,
,,,6C8:A:302,valid,Kd,=,20,uM,c1cocc1/C=C/C(=O)N2CCCC2,
,,,6C8:A:303,valid,Kd,=,20,uM,c1cocc1/C=C/C(=O)N2CCCC2,
,,,6C8:A:301,valid,Kd,=,20,uM,c1cocc1/C=C/C(=O)N2CCCC2,
,,5NIM,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8YE:A:301,valid,,,,,CCCc1cc(no1)C(=O)n2cc3cnn(c3c2)CCO,
,,6HO6,,,,,,,
,,,GGK:A:301,valid,,,,,CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O)(=O)NCCC(F)(F)F,
,,5F0F,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5TD:A:301,valid,Kd,=,1,uM,c1cc(ccc1C#N)N2CCC(CC2)CCC(=O)N3CCCC3,
,,5MYW,,,,,,,
,,,WCU:A:301,valid,,,,,c1ccc(c(c1)N)Nc2ccc3c(c2)OCO3,
,,5MYN,,,,,,,
,,,ZUF:A:301,valid,ic50,=,30,uM,c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl,
,,6HO3,,,,,,,
,,,GJ2:A:301,valid,,,,,c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(=O)NCCC(F)(F)F,
,,4M3F,,,,,,,
,,,2D1:A:301,valid,ic50,=,4.9,uM,Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(C)C,
,,5EZG,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5T4:A:301,valid,Kd,=,12,uM,c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3,
,,,5T4:A:302,valid,Kd,=,12,uM,c1cnc(nc1)N2CCC(CC2)CNC(=O)N3CCCC3,
,,3G1M,,,,,,,
,,,RF3:A:217,valid,ic50,=,0.522,uM,c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4cccs4,
,,3TP0,,,,,,,
,,,FO5:A:217,valid,,,,,c1cc(sc1)c2nc(on2)C3CCN(CC3)C(=O)CC#N,
,,6R1S,,,,,,,
,,,JPK:A:301,valid,,,,,Cc1cccc(c1)CC(=O)NCc2cc(n3c(n2)cc(n3)C4CCOCC4)O,
,Family. Representative Entry is ,6KXX,,,,,,,
,,,T02:A:501,valid,,,,,Cc1cc(c2c(nn(c2n1)c3ccc(cc3)Cl)C(C)C)C(=O)O,
,,6KXY,,,,,,,
,,,T06:A:501,valid,,,,,CCc1cc(c2c(nn(c2n1)c3ccc(cc3)F)C(CC)CC)C(=O)O,
,Family. Representative Entry is ,3F8C,,,,,,,
,,,HT1:A:127,valid,Kd,=,21,nM,CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C,
,,4ZZD,,,,,,,
,,,RBF:A:201,valid,Kd,=,0.25,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,3F8F,,,,,,,
,,,DM1:A:127,valid,Kd,=,236,nM,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O,
,Family. Representative Entry is ,3V78,,,,,,,
,,,ET:A:301,valid,Kd,=,2.9,uM,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:B:301,valid,Kd,=,2.9,uM,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,Family. Representative Entry is ,2PN6,,,,,,,
,,,GLN:A:1002,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,2PMH,,,,,,,
,,,GLN:A:201,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,,NA:A:1002,invalid,,,,,[Na+],
,,,NA:A:1003,invalid,,,,,[Na+],
,,,NA:A:1004,invalid,,,,,[Na+],
,,2EFP,,,,,,,
,,,GLN:A:1002,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:A:1003,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,2E7X,,,,,,,
,,,GLN:A:501,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:A:502,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,2E7W,,,,,,,
,,,GLN:A:1001,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,,2YX7,,,,,,,
,,,GLN:A:202,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:201,invalid,,,,,[Mg+2],
,,2YX4,,,,,,,
,,,GLN:A:1001,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,MG:A:2001,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1UO5,,,,,,,
,,,CL:A:1033,invalid,,,,,[Cl-],
,,,PIH:A:1034,valid,,,,,c1ccc(cc1)I,
,Family. Representative Entry is ,4U0W,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,16G:A:301,valid,Kd,=,1,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:301,valid,Kd,=,1,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,4U0V,,,,,,,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,GLP:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,GLP:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3BPX,,,,,,,
,,,NA:A:146,Part of Protein,,,,,[Na+],
,,,NA:A:147,Part of Protein,,,,,[Na+],
,,,NA:A:148,Part of Protein,,,,,[Na+],
,,,NA:A:149,Part of Protein,,,,,[Na+],
,,,NA:B:146,Part of Protein,,,,,[Na+],
,,,NA:B:147,Part of Protein,,,,,[Na+],
,,,SAL:A:257,valid,Kd,=,0.5,mM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:258,valid,Kd,=,0.5,mM,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,1FBY,,,,,,,
,,,9CR:A:500,valid,Kd,=,1.5,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9CR:B:1500,valid,Kd,=,1.5,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,4N8R,,,,,,,
,,,K08:A:501,valid,ic50,=,16.8,uM,CC1=C(c2ccccc2/C1=Cc3ccc(cc3)C(C)C)CCc4[nH]nnn4,
,,,K08:D:501,valid,ic50,=,16.8,uM,CC1=C(c2ccccc2/C1=Cc3ccc(cc3)C(C)C)CCc4[nH]nnn4,
,,1G5Y,,,,,,,
,,,REA:B:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,REA:C:502,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,3PCU,,,,,,,
,,,HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP:B:1,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C,
,,,LX8:A:1,valid,,,,,CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C,
,,5MKJ,,,,,,,
,,,4CU:A:501,valid,,,,,CCCOc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)CC=C,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP:B:473,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,4N5G,,,,,,,
,,,K09:D:501,valid,ic50,=,14.5,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)C(C)C)F)CCc4[nH]nnn4,
,,,K09:A:501,valid,ic50,=,14.5,uM,CC1=C(c2cc(ccc2/C1=Cc3ccc(cc3)C(C)C)F)CCc4[nH]nnn4,
,Family. Representative Entry is ,6G8H,,,,,,,
,,,NHE:B:1002,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:1003,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:A:1001,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:C:302,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:C:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:A:1002,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:D:301,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NAR:D:1002,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:B:1001,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,Family. Representative Entry is ,5UWH,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5UWO,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5Y24,,,,,,,
,,,BR:B:401,invalid,,,,,[Br-],
,,,BR:A:401,invalid,,,,,[Br-],
,,,BR:A:402,invalid,,,,,[Br-],
,,,BR:A:403,invalid,,,,,[Br-],
,,,BR:B:402,invalid,,,,,[Br-],
,,,GLY MET PRO ARG GLY ALA:D:1,valid,Kd,=,4.6,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,,,GLY MET PRO ARG GLY ALA:C:1,valid,Kd,=,4.6,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,Family. Representative Entry is ,3GJ7,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:305,Part of Protein,,,,,[Mg+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:D:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2PTM,,,,,,,
,,,CMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,NCO:A:301,Part of Protein,,,,,[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3],
,Family. Representative Entry is ,2Y31,,,,,,,
,,,1PE:A:1248,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:B:1247,Part of Protein,,,,,[Ca+2],
,,,CL:A:1250,invalid,,,,,[Cl-],
,,,CL:A:1251,invalid,,,,,[Cl-],
,,,CL:A:1252,invalid,,,,,[Cl-],
,,,CL:B:1248,invalid,,,,,[Cl-],
,,,CL:B:1249,invalid,,,,,[Cl-],
,,,CL:B:1250,invalid,,,,,[Cl-],
,,,CL:B:1251,invalid,,,,,[Cl-],
,,,CL:B:1252,invalid,,,,,[Cl-],
,,,PG4:A:1249,invalid,,,,,C(COCCOCCOCCO)O,
,,,SMQ:A:501,valid,,,,,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC(=O)C,
,,,SMQ:B:501,valid,,,,,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)O)OC(=O)C,
,,2Y30,,,,,,,
,,,CL:A:1247,invalid,,,,,[Cl-],
,,,CL:A:1248,invalid,,,,,[Cl-],
,,,CL:A:1249,invalid,,,,,[Cl-],
,,,CL:B:1248,invalid,,,,,[Cl-],
,,,CL:B:1249,invalid,,,,,[Cl-],
,,,CL:B:1250,invalid,,,,,[Cl-],
,,,SM8:A:501,valid,,,,,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C,
,,,SM8:B:501,valid,,,,,C[C@@H]1[C@H]([C@@H](C[C@@H](O1)c2ccc3c(c2O)[C@@H]([C@@]45[C@H](C[C@@]6(CC(=CC(=O)[C@@]6([C@]4(C3=O)O5)O)C)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(c8ccc(c(c8OC7=O)Cl)O)O)OC(=O)C,
,Family. Representative Entry is ,6A06,,,,,,,
,,,1SY:B:403,valid,Kd,=,3.4,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6IYF,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2BA:B:401,valid,Kd,~,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,6A05,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YD:A:403,valid,Kd,=,12.8,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,,6A04,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C2E:B:402,valid,Kd,~,6,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5T46,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,MGP:C:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1N0W,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,GLY SER MSE GLY:C:1,valid,,,,,[Se](CCC(NC(=O)C(NC(=O)C[NH3+])CO)C(=O)NCC=O)C,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5EI3,,,,,,,
,,,5O8:A:301,valid,Kd,=,56.5,uM,c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNS(=O)(=O)C(F)(F)F)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EHC,,,,,,,
,,,5NX:A:301,valid,,,,,c1cc(cc(c1)Cl)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CNC5=C(C(=O)C5=O)O)O)O,
,Family. Representative Entry is ,2QN6,,,,,,,
,,,GDP:A:417,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:416,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V57,,,,,,,
,,,IPA:A:1189,invalid,,,,,CC(C)O,
,,,IPA:C:1189,invalid,,,,,CC(C)O,
,,,PRL:A:1188,valid,Kd,=,79,nM,c1cc(cc2c1cc3ccc(cc3n2)N)N,
,,,PRL:C:1187,valid,Kd,=,79,nM,c1cc(cc2c1cc3ccc(cc3n2)N)N,
,,,SO4:B:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1189,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6V2E,,,,,,,
,,,GLC GLC:C:1,valid,Ki,=,67.6,nM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,FMT:A:2203,invalid,,,,,C(=O)O,
,,,FMT:A:2202,invalid,,,,,C(=O)O,
,,,FMT:A:2204,invalid,,,,,C(=O)O,
,,,NH2:B:101,invalid,,,,,[NH2],
,Family. Representative Entry is ,4KBY,,,,,,,
,,,C2E:A:401,valid,Ka,=,5390000,M^-1,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,4LOK,,,,,,,
,,,1YD:B:401,valid,Kd,=,0.26,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]4[C@@H](O3)COP(=O)(O[C@H]5[C@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,,4LOL,,,,,,,
,,,1YE:A:401,valid,Kd,=,0.49,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,,1YE:A:402,valid,Kd,=,0.49,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,6XNN,,,,,,,
,,,V67:A:401,valid,,,,,c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3,
,,,V67:B:401,valid,,,,,c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3,
,Family. Representative Entry is ,4B47,,,,,,,
,,,MG:A:1357,Part of Protein,,,,,[Mg+2],
,,,GDP:A:1356,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1JHG,,,,,,,
,,,PO4:A:120,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRP:A:111,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,1WRP,,,,,,,
,,,TRP:R:1,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2OZ9,,,,,,,
,,,NA:R:601,Part of Protein,,,,,[Na+],
,,,SO4:R:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:R:1,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,1ZT9,,,,,,,
,,,SO4:A:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:901,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:801,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:701,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4WPF,,,,,,,
,,,3SN:D:601,valid,ic50,=,0.25,uM,CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4,
,,,3SN:A:601,valid,ic50,=,0.25,uM,CC(=O)N1CCN(CC1)c2ccc(c(c2)F)CN(C3CCC3)S(=O)(=O)c4ccccc4,
,Family. Representative Entry is ,1QAW,,,,,,,
,,,TRP:A:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:82,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:I:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:J:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:K:81,valid,Kd,=,7.5,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2ZD0,,,,,,,
,,,TRP:A:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2ZCZ,,,,,,,
,,,TRP:A:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2EXT,,,,,,,
,,,TRP:B:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:2100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2EXS,,,,,,,
,,,TRP:A:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:2100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6VIF,,,,,,,
,,,QY4:A:601,valid,Ki,=,38,nM,CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)CN(C)c3ccccc3)c4ccccc4,
,,6OR1,,,,,,,
,,,N27:A:601,valid,,,,,CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NC(=O)C)C(=C)c3ccccc3)c4ccccc4,
,,5SYZ,,,,,,,
,,,71W:A:601,valid,,,,,CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4,
,,4PLE,,,,,,,
,,,CPS:E:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:E:604,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:G:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:E:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:E:606,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:604,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:G:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:C:602,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:C:603,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:E:605,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,EPH:A:601,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:E:601,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:C:601,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:G:601,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,5L11,,,,,,,
,,,RJW:A:601,valid,,,,,CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4,
,,6OQX,,,,,,,
,,,N1V:A:601,valid,,,,,CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)OS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4,
,,1YOK,,,,,,,
,,,P6L:A:100,valid,,,,,CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC,
,,6VC2,,,,,,,
,,,QU7:A:601,valid,Ki,=,1.2,uM,CCCCCCC1=C([C@]2(CC[C@@H]([C@H]2C1)O)C(=C)c3ccccc3)c4ccccc4,
,,3PLZ,,,,,,,
,,,470:A:1,valid,,,,,CCC/C=C(CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4,
,,,470:B:1,valid,,,,,CCC/C=C(CCC)/C1=C([C@@]2(CCC[C@@H]2C1)Nc3ccccc3)c4ccccc4,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,6OQY,,,,,,,
,,,N2J:A:601,valid,,,,,CCCCCCC1=C([C@@]2(CC[C@@H]([C@@H]2C1)NS(=O)(=O)N)C(=C)c3ccccc3)c4ccccc4,
,Family. Representative Entry is ,5X3R,,,,,,,
,,,7Y3:C:601,valid,,,,,c1cnn(c1)S(=O)(=O)c2ccc(s2)Br,
,,,7Y3:A:601,valid,,,,,c1cnn(c1)S(=O)(=O)c2ccc(s2)Br,
,,,7Y3:B:601,valid,,,,,c1cnn(c1)S(=O)(=O)c2ccc(s2)Br,
,,,7Y3:D:601,valid,,,,,c1cnn(c1)S(=O)(=O)c2ccc(s2)Br,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1DKF,,,,,,,
,,,BMS:B:600,valid,,,,,CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)c4cc5ccccc5nc4)C,
,,,OLA:A:700,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,2P9H,,,,,,,
,,,IPT:A:998,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:999,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,5NVX,,,,,,,
,,,4YY:C:301,valid,Kd,=,44,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O,
,,,4YY:F:301,valid,Kd,=,44,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O,
,,,4YY:L:301,valid,Kd,=,44,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O,
,,,4YY:I:301,valid,Kd,=,44,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)F)O,
,,4W9J,,,,,,,
,,,3JH:C:301,valid,Kd,=,0.588,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O,
,,,3JH:I:301,valid,Kd,=,0.588,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O,
,,,3JH:F:301,valid,Kd,=,0.588,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O,
,,,3JH:L:301,valid,Kd,=,0.588,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C)O,
,,6GFZ,,,,,,,
,,,EXE:L:301,valid,Kd,=,3080,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F,
,,,EXE:I:301,valid,Kd,=,3080,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F,
,,,EXE:F:301,valid,Kd,=,3080,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F,
,,,EXE:C:301,valid,Kd,=,3080,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3[C@@H]([C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O)F,
,,5NW1,,,,,,,
,,,9BH:L:301,valid,Kd,=,210,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O,
,,,9BH:C:301,valid,Kd,=,210,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O,
,,,9BH:I:301,valid,Kd,=,210,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O,
,,,9BH:F:301,valid,Kd,=,210,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CCC4)O,
,,5LLI,,,,,,,
,,,6Z3:F:301,valid,Kd,=,90,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O,
,,,6Z3:C:301,valid,Kd,=,90,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O,
,,,6Z3:I:301,valid,Kd,=,90,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O,
,,,6Z3:L:301,valid,Kd,=,90,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)C#N)O,
,,5NVV,,,,,,,
,,,9BT:I:301,valid,Kd,=,105,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O,
,,,9BT:L:301,valid,Kd,=,105,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O,
,,,9BT:F:301,valid,Kd,=,105,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O,
,,,9BT:C:301,valid,Kd,=,105,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CO)O,
,,4W9L,,,,,,,
,,,3JJ:C:301,valid,Kd,=,9.52,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JJ:F:301,valid,Kd,=,9.52,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JJ:I:301,valid,Kd,=,9.52,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JJ:L:301,valid,Kd,=,9.52,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,4W9C,,,,,,,
,,,3JG:C:301,valid,Kd,=,22.2,uM,CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,3JG:L:301,valid,Kd,=,22.2,uM,CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,3JG:I:301,valid,Kd,=,22.2,uM,CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,3JG:F:301,valid,Kd,=,22.2,uM,CC(C)(C)CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,5NW0,,,,,,,
,,,9BK:L:301,valid,Kd,=,128,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O,
,,,9BK:C:301,valid,Kd,=,128,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O,
,,,9BK:F:301,valid,Kd,=,128,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O,
,,,9BK:I:301,valid,Kd,=,128,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4(CC4)NC(=O)C)O,
,,5NVW,,,,,,,
,,,9BW:I:301,valid,Kd,=,132,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O,
,,,9BW:L:301,valid,Kd,=,132,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O,
,,,9BW:C:301,valid,Kd,=,132,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O,
,,,9BW:F:301,valid,Kd,=,132,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4CC4)O,
,,4W9D,,,,,,,
,,,3JK:F:301,valid,Kd,=,10.2,uM,Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JK:C:301,valid,Kd,=,10.2,uM,Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JK:I:301,valid,Kd,=,10.2,uM,Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JK:L:301,valid,Kd,=,10.2,uM,Cc1c(ocn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,4AWJ,,,,,,,
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1202,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1207,invalid,,,,,CC(=O)[O-],
,,,ACT:I:1207,invalid,,,,,CC(=O)[O-],
,,,ACT:L:1207,invalid,,,,,CC(=O)[O-],
,,,ACY:F:1206,invalid,,,,,CC(=O)O,
,,,GOL:J:1104,invalid,,,,,C(C(CO)O)O,
,,,V6F:C:1201,valid,Kd,~,10000,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O,
,,,V6F:F:1205,valid,Kd,~,10000,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O,
,,,V6F:I:1206,valid,Kd,~,10000,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O,
,,,V6F:L:1206,valid,Kd,~,10000,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NC)O,
,,6FMJ,,,,,,,
,,,DV5:L:301,valid,Kd,=,0.76,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O,
,,,DV5:F:301,valid,Kd,=,0.76,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O,
,,,DV5:I:301,valid,Kd,=,0.76,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O,
,,,DV5:C:301,valid,Kd,=,0.76,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=S)[C@H](C)NC(=O)C)O,
,,4W9I,,,,,,,
,,,3JS:F:301,valid,Kd,=,1.1,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O,
,,,3JS:L:301,valid,Kd,=,1.1,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O,
,,,3JS:C:301,valid,Kd,=,1.1,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O,
,,,3JS:I:301,valid,Kd,=,1.1,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H]4C[C@H](CN4C(=O)C)O)O,
,,5NW2,,,,,,,
,,,9B8:L:301,valid,Kd,=,232,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O,
,,,9B8:C:301,valid,Kd,=,232,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O,
,,,9B8:I:301,valid,Kd,=,232,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O,
,,,9B8:F:301,valid,Kd,=,232,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C4COC4)O,
,,4BKT,,,,,,,
,,,QD0:F:302,valid,Kd,=,240,uM,Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O,
,,,QD0:L:301,valid,Kd,=,240,uM,Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O,
,,,QD0:I:302,valid,Kd,=,240,uM,Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O,
,,,QD0:C:301,valid,Kd,=,240,uM,Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O,
,,4W9K,,,,,,,
,,,3JO:F:301,valid,Kd,=,0.291,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O,
,,,3JO:L:301,valid,Kd,=,0.291,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O,
,,,3JO:I:301,valid,Kd,=,0.291,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O,
,,,3JO:C:301,valid,Kd,=,0.291,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)C)O,
,Family. Representative Entry is ,1IN4,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:705,invalid,,,,,[Co+2],
,,,HEZ:A:703,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:704,invalid,,,,,C(CCCO)CCO,
,,1IN8,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1IN5,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1J7K,,,,,,,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ATP:A:2060,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:705,invalid,,,,,[Co+2],
,,,HEZ:A:704,invalid,,,,,C(CCCO)CCO,
,,1IN6,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:600,invalid,,,,,[Co+2],
,,1IN7,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3DZD,,,,,,,
,,,ADP:A:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:B:1,invalid,,,,,[Na+],
,Family. Representative Entry is ,1ZDU,,,,,,,
,,,P3A:A:101,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O)OC(=O)CCCCCCC/C=CCCCCCC,
,,,TRS:A:103,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1YP0,,,,,,,
,,,PEF:A:201,valid,ic50,=,100,nM,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,4IPH,,,,,,,
,,,1FJ:A:201,valid,Kd,=,5.01,uM,Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2,
,,,1FJ:A:202,valid,Kd,=,5.01,uM,Cc1cccc(c1C)NC(=O)C2=C3NC(=O)c4c(ccs4)N3C(=S)S2,
,,4LUZ,,,,,,,
,,,1XT:A:201,valid,Kd,=,20,uM,Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccc(cc3)OCc4ccc(cc4)c5ccc(o5)C(=O)O,
,,4LW1,,,,,,,
,,,1XS:A:201,valid,Kd,=,710,uM,c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F,
,,,1XS:A:202,valid,Kd,=,710,uM,c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F,
,,4LWC,,,,,,,
,,,1XU:A:201,valid,,,,,c1cc(ccc1CNC(=S)c2ccc(cc2Cl)c3ccc(o3)C(=O)O)c4ccnn4c5ccc(c(c5)Cl)Cl,
,,4LUV,,,,,,,
,,,1XS:A:201,valid,Kd,=,1400,uM,c1cc(c(cc1c2ccc(o2)C(=O)O)Cl)F,
,,,1DZ:A:202,valid,Kd,=,580,uM,Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3,
,,4LUO,,,,,,,
,,,1DZ:A:202,valid,Kd,=,580,uM,Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3,
,,,1DZ:A:201,valid,Kd,=,580,uM,Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3,
,,4IJH,,,,,,,
,,,1EJ:A:203,valid,Kd,=,47,uM,c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F,
,,,1EJ:A:204,valid,Kd,=,47,uM,c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F,
,,,1EJ:A:202,valid,Kd,=,47,uM,c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F,
,,,1EJ:A:205,valid,Kd,=,47,uM,c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F,
,,,1EJ:A:201,valid,Kd,=,47,uM,c1cc(ccc1c2nnc(n2c3ccc4c(c3)sc(c4Cl)C(=O)O)S)F,
,,5E7N,,,,,,,
,,,5KR:A:201,valid,Kd,=,30,uM,Cc1ccc(cc1S(=O)(=O)Nc2ccc(cc2)Br)C(=O)Nc3ccccc3C(=O)O,
,,4IJL,,,,,,,
,,,1EK:A:201,valid,Kd,=,135,uM,c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl,
,,,1EK:A:202,valid,Kd,=,135,uM,c1ccc(cc1)n2c(nnc2SCC(=O)O)c3c(c4ccccc4s3)Cl,
,Family. Representative Entry is ,3ZZL,,,,,,,
,,,TRP:A:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:100,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1WKW,,,,,,,
,,,GTA:A:1000,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,Family. Representative Entry is ,5UWW,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6IM4,,,,,,,
,,,GLY MET PRO ARG GLY ALA:C:1,valid,Kd,=,40,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,,,GLY MET PRO ARG GLY ALA:D:1,valid,Kd,=,40,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,,6JG9,,,,,,,
,,,GLY MET PRO ARG GLY ALA:C:1,valid,,,,,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,,,GLY MET PRO ARG GLY ALA:D:1,valid,,,,,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,Family. Representative Entry is ,3CT5,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3CT1,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3CSZ,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3CT0,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,1N83,,,,,,,
,,,CLR:A:1000,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,1S0X,,,,,,,
,,,C3S:A:1001,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,Family. Representative Entry is ,4HAT,,,,,,,
,,,EDO:C:1104,invalid,,,,,C(CO)O,
,,,EDO:C:1105,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:C:1109,invalid,,,,,[Cl-],
,,,CL:C:1108,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,LMB:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O,
,,4HB0,,,,,,,
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:C:1103,invalid,,,,,[Cl-],
,,,CL:C:1102,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,LBF:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4HAU,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:C:1109,invalid,,,,,[Cl-],
,,,CL:C:1108,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,EDO:C:1106,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:1105,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,RJA:C:1101,invalid,,,,,C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(C)/C[C@@H](C)/C=C(/C)C=C[C@@H](CCCC(=O)O)O)O)O)C,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,4GPT,,,,,,,
,,,51K:C:1101,invalid,,,,,c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)CCc3nnco3,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,CL:C:1109,invalid,,,,,[Cl-],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:1104,invalid,,,,,C(CO)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1108,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4HAZ,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,LBF:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:C:1102,invalid,,,,,[Cl-],
,,,CL:C:1103,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5JLJ,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,6L8:C:1101,invalid,,,,,c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C[C@@H](c3cncnc3)C(=O)N,
,,,CL:A:304,invalid,,,,,[Cl-],
,,4HB4,,,,,,,
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:1103,invalid,,,,,C(CO)O,
,,,LMB:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O,
,,4HB2,,,,,,,
,,,GOL:C:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:1103,invalid,,,,,C(CO)O,
,,4HAW,,,,,,,
,,,EDO:C:1104,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:1108,invalid,,,,,[Mg+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,LMB:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O,
,,4HAY,,,,,,,
,,,EDO:C:1104,invalid,,,,,C(CO)O,
,,,EDO:C:1102,invalid,,,,,C(CO)O,
,,,EDO:C:1105,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:1103,invalid,,,,,C(CO)O,
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,CL:C:1108,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,LMB:C:1101,invalid,,,,,CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](C)CCC(=O)O)O,
,,4HAV,,,,,,,
,,,CL:C:1104,invalid,,,,,[Cl-],
,,,CL:C:1102,invalid,,,,,[Cl-],
,,,CL:C:1103,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,AA8:C:1101,invalid,,,,,C[C@H](C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C(/C)C=C[C@@H](CCCC(=O)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6X2M,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4HAX,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:C:1109,invalid,,,,,[Cl-],
,,,CL:C:1108,invalid,,,,,[Cl-],
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,EDO:C:1106,invalid,,,,,C(CO)O,
,,,EDO:C:1105,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,RJA:C:1101,invalid,,,,,C/C=C/[C@H]1[C@H]([C@@H](C[C@@H](O1)[C@@H](/C=C/C=C(C)/C[C@@H](C)/C=C(/C)C=C[C@@H](CCCC(=O)O)O)O)O)C,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,4WVF,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1108,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:1104,invalid,,,,,C(CO)O,
,,,CL:C:1107,invalid,,,,,[Cl-],
,,,CL:C:1105,invalid,,,,,[Cl-],
,,,CL:C:1106,invalid,,,,,[Cl-],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,K76:C:1101,invalid,,,,,c1c(cc(cc1C(F)(F)F)C(F)(F)F)c2ncn(n2)C=CC(=O)N3CC(C3)(F)F,
,Family. Representative Entry is ,4FHT,,,,,,,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,DHB:B:201,valid,Kd,=,0.67,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:A:201,valid,Kd,=,0.67,uM,c1cc(c(cc1C(=O)O)O)O,
,Family. Representative Entry is ,1D2E,,,,,,,
,,,GDP:A:1301,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1302,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1303,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:1304,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4IEE,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,AGS:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,4IEI,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,7CV2,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,NIO:A:201,valid,,,,,c1cc(cnc1)C(=O)O,
,Family. Representative Entry is ,3P9T,,,,,,,
,,,SO4:A:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:220,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TCL:A:221,valid,Kd,=,0.63,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:A:222,valid,Kd,=,0.63,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,Family. Representative Entry is ,5YSZ,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,1II7,,,,,,,
,,,DA:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:405,Part of Protein,,,,,[Mn+2],
,,,MN:B:406,Part of Protein,,,,,[Mn+2],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2W24,,,,,,,
,,,LYS:A:1151,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1HG4,,,,,,,
,,,LPP:A:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:B:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:C:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:D:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:E:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:F:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,5ABU,,,,,,,
,,,GTG:A:1249,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,CL:B:1636,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5H20,,,,,,,
,,,GLC:A:204,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,IPA:A:206,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,1FCZ,,,,,,,
,,,156:A:450,valid,Kd,=,0.6,nM,CC1(CCC(c2c1ccc(c2)C(=O)C=Cc3ccc(cc3)C(=O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,1FD0,,,,,,,
,,,254:A:450,valid,Kd,~,4,nM,CC1(CCC(c2c1ccc(c2)/C(=N/O)/c3ccc4cc(ccc4c3)C(=O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,1FCX,,,,,,,
,,,184:A:450,valid,Kd,=,64,nM,CC1(CCC(c2c1ccc(c2)[C@H](c3ccc4cc(ccc4c3)C(=O)O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,1EXA,,,,,,,
,,,394:A:450,valid,,,,,CC1(CCC(c2c1ccc(c2)[C@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,1EXX,,,,,,,
,,,961:A:450,valid,,,,,CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,3LBD,,,,,,,
,,,9CR:A:424,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,5M24,,,,,,,
,,,LMU:A:502,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,9CR:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,1FCY,,,,,,,
,,,564:A:450,valid,Kd,=,3,nM,CC1(CCC(c2c1ccc(c2)C(=O)c3ccc4cc(ccc4c3)C(=O)O)(C)C)C,
,,,LMU:A:451,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,7CDX,,,,,,,
,,,GLC FRU:D:1,valid,Kd,=,42.7,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,Kd,=,42.7,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,2BKA,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PE8:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4AIW,,,,,,,
,,,I6P:A:1001,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5W1E,,,,,,,
,,,PHB:A:602,valid,Kd,=,5.8,uM,c1cc(ccc1C(=O)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1N4H,,,,,,,
,,,REA:A:500,valid,Kd,=,280,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,1K4W,,,,,,,
,,,STE:A:1001,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4NCN,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,ACY:B:1004,invalid,,,,,CC(=O)O,
,,4NCL,,,,,,,
,,,GDP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6NX3,,,,,,,
,,,BGC GAL:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6NWJ,,,,,,,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6NWO,,,,,,,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6NWH,,,,,,,
,,,CL:B:206,invalid,,,,,[Cl-],
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6NWM,,,,,,,
,,,FRU GAL:C:1,valid,,,,,,
,,,FRU GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,5DIF,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:C:1101,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2QZO,,,,,,,
,,,KN1:A:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,,,KN1:B:1,valid,,,,,C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3O)O,
,Family. Representative Entry is ,3BOS,,,,,,,
,,,CDP:A:300,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:300,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,2ZFZ,,,,,,,
,,,ARG:A:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GAI:A:400,invalid,,,,,C(=N)(N)N,
,,,GAI:E:400,invalid,,,,,C(=N)(N)N,
,,3CAG,,,,,,,
,,,ARG:A:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:400,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:400,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:400,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:300,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,2VUT,,,,,,,
,,,CL:A:1354,invalid,,,,,[Cl-],
,,,CL:C:1354,invalid,,,,,[Cl-],
,,,CL:D:1353,invalid,,,,,[Cl-],
,,,CL:E:1353,invalid,,,,,[Cl-],
,,,CL:F:1353,invalid,,,,,[Cl-],
,,,CL:G:1354,invalid,,,,,[Cl-],
,,,CL:H:1353,invalid,,,,,[Cl-],
,,,GOL:C:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1712,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1355,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1354,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1354,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1354,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1355,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1354,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:I:1713,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1713,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1712,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1713,Part of Protein,,,,,[Zn+2],
,,,ZN:M:1713,Part of Protein,,,,,[Zn+2],
,,,ZN:N:1713,Part of Protein,,,,,[Zn+2],
,,,ZN:O:1712,Part of Protein,,,,,[Zn+2],
,,,ZN:P:1713,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2V89,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ALA LYS ALA:D:3001,valid,Kd,=,4.15,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCCC[N+](C)(C)C)CCC(=O)N)C(O)C)C)C)CCCC[NH3+])C,
,,,ALA ARG THR M3L GLN THR ALA ALA LYS ALA:E:2001,valid,Kd,=,4.15,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCCC[N+](C)(C)C)CCC(=O)N)C(O)C)C)C)CCCC[NH3+])C,
,,,ZN:A:2488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2489,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1489,Part of Protein,,,,,[Zn+2],
,,2V88,,,,,,,
,,,ALA 2MR THR MLY GLN THR ALA ALA:D:1,valid,Kd,=,82.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=NC)NC)C(O)C)CCCC[NH+](C)C)CCC(=O)N)C(O)C)C)C,
,,,ALA 2MR THR MLY GLN THR ALA ALA:F:1,valid,Kd,=,82.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=NC)NC)C(O)C)CCCC[NH+](C)C)CCC(=O)N)C(O)C)C)C,
,,,ZN:A:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1489,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1489,Part of Protein,,,,,[Zn+2],
,,2V86,,,,,,,
,,,ALA DA2 THR M3L GLN THR ALA ARG ALA:D:1,valid,Kd,=,34.6,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCN=C(N(C)C)N)C(O)C)CCCC[N+](C)(C)C)CCC(=O)N)C(O)C)C)CCCNC(=[NH2+])N)C,
,,,ALA DA2 THR M3L GLN THR ALA ARG ALA:E:1,valid,Kd,=,34.6,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCN=C(N(C)C)N)C(O)C)CCCC[N+](C)(C)C)CCC(=O)N)C(O)C)C)CCCNC(=[NH2+])N)C,
,,,ZN:A:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1489,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1489,Part of Protein,,,,,[Zn+2],
,,2V83,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:D:1,valid,Kd,=,33.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:E:1,valid,Kd,=,33.8,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:1486,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1487,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1488,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1489,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1484,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1485,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6FH4,,,,,,,
,,,RPI:C:201,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,RPI:A:201,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,RPI:B:201,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,PO4:D:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3GJ5,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:D:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1NU4,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MLA:A:402,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:403,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:406,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:408,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:410,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:411,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:400,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:401,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:404,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:405,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:407,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:409,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,4EHU,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ANP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,NA:A:305,invalid,,,,,[Na+],
,,,NA:A:306,invalid,,,,,[Na+],
,,,NA:B:304,invalid,,,,,[Na+],
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4EHT,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,NH4:B:304,invalid,,,,,[NH4+],
,,,SF4:A:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5YEC,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:703,Part of Protein,,,,,[Mg+2],
,,,ATP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1W5T,,,,,,,
,,,ADP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,1W5S,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5XJD,,,,,,,
,,,87L:B:501,valid,Kd,~,300,uM,c1ccc(cc1)[C@@H](C(=O)O)n2cccc2,
,Family. Representative Entry is ,6HIL,,,,,,,
,,,MYR:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:D:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:C:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5Z69,,,,,,,
,,,AGS:A:401,valid,Kd,=,32,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,6WAY,,,,,,,
,,,ACE ASP PTR ALA GLU PRO MET ASP ALA NH2:V:1085,valid,Kd,=,0.15,uM,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])Cc2ccc(OP(=O)([O-])[O-])cc2)C)CCC(=O)[O-])CCC1)C(=O)NC(C(=O)NC(C(=O)[NH3+])C)CC(=O)[O-])C,
,Family. Representative Entry is ,1F2U,,,,,,,
,,,ATP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3I54,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,1CKA,,,,,,,
,,,PRO PRO PRO ALA LEU PRO PRO LYS LYS ARG:B:1,valid,Kd,=,1.9,uM,O=C(NC(CCCC[NH3+])[CH2-])C(NC(=O)C1N(C(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)C)CC(C)C)CCC2)CCC1)CCCC[NH3+],
,,1CKB,,,,,,,
,,,PRO PRO PRO VAL PRO PRO ARG ARG ARG ARG:B:1,valid,Kd,=,5.2,uM,O=C(NC(C)[CH2-])C(NC(=O)C1N(C(=O)C2N(C(=O)C(NC(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)C(C)C)CCC2)CCC1)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,2VPR,,,,,,,
,,,MG:A:1207,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDC:A:1206,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,Family. Representative Entry is ,5HTL,,,,,,,
,,,C2E:A:201,valid,Kd,=,0.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:201,valid,Kd,=,0.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1B4B,,,,,,,
,,,ARG:B:150,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,2BJ4,,,,,,,
,,,OHT:A:1529,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:B:1530,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,Family. Representative Entry is ,1DAR,,,,,,,
,,,GDP:A:692,valid,Kd,=,11,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2BM0,,,,,,,
,,,GDP:A:1690,valid,Ki,=,440,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1691,Part of Protein,,,,,[Mg+2],
,,2BV3,,,,,,,
,,,GNP:A:1689,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1690,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1UO4,,,,,,,
,,,CL:A:1033,invalid,,,,,[Cl-],
,,,PIH:B:1033,valid,,,,,c1ccc(cc1)I,
,Family. Representative Entry is ,3QP4,,,,,,,
,,,HL0:A:1,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,,3QP1,,,,,,,
,,,HL6:A:1,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,,3QP2,,,,,,,
,,,HTF:A:1,valid,,,,,CCCCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,1GUX,,,,,,,
,,,ASP LEU TYR CYS TYR GLU GLN LEU ASN:E:1,valid,Kd,=,110,nM,SCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)N)CC(C)C)CCC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1,
,Family. Representative Entry is ,4RWG,,,,,,,
,,,CYS:B:1027,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,MG:B:2202,invalid,,,,,[Mg+2],
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1IPC,,,,,,,
,,,MGP:A:1000,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1IPB,,,,,,,
,,,GTA:A:1000,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,Family. Representative Entry is ,1NY5,,,,,,,
,,,ADP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6FBZ,,,,,,,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5DHF,,,,,,,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,ZN:C:1103,Part of Protein,,,,,[Zn+2],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:C:1102,invalid,,,,,[Cl-],
,,,CL:C:1101,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2FA1,,,,,,,
,,,BDF:B:1,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,6ZA0,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,6Z74,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,NA:D:303,invalid,,,,,[Na+],
,,,NA:D:304,invalid,,,,,[Na+],
,,,PEG:C:303,invalid,,,,,C(COCCO)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIT:D:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3HXG,,,,,,,
,,,GTA:A:1,valid,Kd,=,0.27,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,3HXI,,,,,,,
,,,GTG:A:501,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,Family. Representative Entry is ,5IOK,,,,,,,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,PEG:A:201,invalid,,,,,C(COCCO)O,
,,,ACE GLN THR ALA ARG KCR SER THR:C:3,valid,Kd,=,9.5,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCCNC(=O)C=CC)CCCNC(=[NH2+])N)C)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(O)C,
,,6MIN,,,,,,,
,,,ACE GLN THR ALA ARG KCR SER THR:B:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCCNC(=O)C=CC)CCCNC(=[NH2+])N)C)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(O)C,
,,6MIO,,,,,,,
,,,ACE GLN THR ALA ARG PRK SER THR:B:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCCNC(=O)CC)CCCNC(=[NH2+])N)C)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(O)C,
,,5D7E,,,,,,,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,PEG:A:201,invalid,,,,,C(COCCO)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,ALA GLN THR ALA ARG ALY SER THR:C:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CO)CCCCNC(=O)C)CCCNC(=[NH2+])N)C)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(O)C,
,,,MES:A:204,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6MIQ,,,,,,,
,,,ACE GLN THR ALA ARG BTK SER THR:C:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCCNC(=O)CCC)CCCNC(=[NH2+])N)C)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(O)C,
,Family. Representative Entry is ,5UWS,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3GJ3,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4WG0,,,,,,,
,,,CHD:F:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:E:104,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:J:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:I:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:H:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:D:102,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:102,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:L:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:G:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:102,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:M:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:K:103,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SO4:E:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6DF7,,,,,,,
,,,G9V:A:4001,valid,ic50,=,0.01,uM,Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5,
,,,G9V:B:4000,valid,ic50,=,0.01,uM,Cn1cnc2c1cc(cc2C3=CN(C(=O)c4c3cc[nH]4)CCC=C)C(=O)N5CCOCC5,
,,6DF4,,,,,,,
,,,G9Y:A:4000,valid,ic50,=,0.023,uM,C=CCCN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N4CCOCC4,
,Family. Representative Entry is ,1HSJ,,,,,,,
,,,GLC:A:671,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:672,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:B:673,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5N0L,,,,,,,
,,,ILE:D:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:F:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:C:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:B:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:A:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:E:201,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6X2R,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4UEC,,,,,,,
,,,MGT:A:1237,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:C:1237,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4NG2,,,,,,,
,,,OHN:B:201,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:A:201,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:D:201,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,OHN:C:201,valid,,,,,CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,6HBD,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,invalid,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,GZL:A:410,valid,,,,,C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O,
,,,GZL:B:407,valid,,,,,C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O,
,,6HYH,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,GYE:A:409,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,GYE:B:406,valid,,,,,C[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,2IW3,,,,,,,
,,,ADP:A:1973,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1977,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1974,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1975,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1976,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1977,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1978,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1978,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1979,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1980,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1981,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1982,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1983,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1984,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1985,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2YVE,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2006,invalid,,,,,C(C(CO)O)O,
,,,MBT:A:1001,valid,,,,,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,,MBT:B:1002,valid,,,,,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,2ZOZ,,,,,,,
,,,ET:B:184,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,GOL:A:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:186,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:187,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:188,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:187,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:188,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:186,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1G2N,,,,,,,
,,,EPH:A:4000,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,Family. Representative Entry is ,5ZK7,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:D:102,invalid,,,,,[I-],
,,,IOD:C:101,invalid,,,,,[I-],
,,,IOD:D:101,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,MGT:A:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3QP8,,,,,,,
,,,HL0:A:1,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL0:B:2,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL0:C:3,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,,,HL0:D:188,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,4D7M,,,,,,,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,,TDC:A:222,valid,Ka,=,980000000000,M^-1,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,1ORK,,,,,,,
,,,ATC:A:222,valid,Kd,=,1.56,nM,CN(C)CC(=O)Nc1ccc2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3C2)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,5FKK,,,,,,,
,,,MG:B:223,Part of Protein,,,,,[Mg+2],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:B:401,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:222,invalid,,,,,C(COCCOCCOCCO)O,
,,,TDC:B:222,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,6FPM,,,,,,,
,,,TAC:A:301,valid,,,,,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,2TCT,,,,,,,
,,,CTC:A:222,valid,Ka,~,10000000,M^-1,C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,5FKN,,,,,,,
,,,TDC:B:1209,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,TDC:A:1209,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:B:1213,invalid,,,,,[Cl-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:B:1212,invalid,,,,,[Cl-],
,,,CL:A:1212,invalid,,,,,[Cl-],
,,,CL:B:1214,invalid,,,,,[Cl-],
,,,CL:B:1215,invalid,,,,,[Cl-],
,,,CL:A:1211,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,CL:B:1211,invalid,,,,,[Cl-],
,,,CL:A:1216,invalid,,,,,[Cl-],
,,,MG:A:1210,Part of Protein,,,,,[Mg+2],
,,,MG:B:1210,Part of Protein,,,,,[Mg+2],
,,2VKV,,,,,,,
,,,MG:A:1207,Part of Protein,,,,,[Mg+2],
,,,MG:A:1208,Part of Protein,,,,,[Mg+2],
,,,TDC:A:1206,valid,Ka,=,45000000,M^-1,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,2X9D,,,,,,,
,,,CL:A:1210,invalid,,,,,[Cl-],
,,,CL:A:1211,invalid,,,,,[Cl-],
,,,CL:A:1212,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,ITC:A:1209,valid,,,,,C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C,
,,6QJX,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MIY:A:301,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,5FKO,,,,,,,
,,,CL:A:1214,invalid,,,,,[Cl-],
,,,CL:A:1215,invalid,,,,,[Cl-],
,,,CL:A:1211,invalid,,,,,[Cl-],
,,,CL:A:1212,invalid,,,,,[Cl-],
,,,CL:A:1213,invalid,,,,,[Cl-],
,,,TDC:A:1209,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,MG:A:1210,Part of Protein,,,,,[Mg+2],
,,2FJ1,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CTC:A:222,valid,,,,,C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O,
,,,NI:A:223,Part of Protein,,,,,[Ni+2],
,,5FKL,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,TDC:A:222,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,MG:A:223,invalid,,,,,[Mg+2],
,,2XB5,,,,,,,
,,,CL:A:1209,invalid,,,,,[Cl-],
,,,I7T:A:222,valid,,,,,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,2TRT,,,,,,,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,,TAC:A:222,valid,,,,,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O,
,,6QJW,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CTC:A:301,valid,,,,,C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O,
,,4D7N,,,,,,,
,,,K:A:301,Part of Protein,,,,,[K+],
,,,K:A:223,Part of Protein,,,,,[K+],
,,,TDC:A:222,valid,Ka,=,23000000,M^-1,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6RCR,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,DXT:A:301,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,6FPL,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,TAC:A:301,valid,,,,,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O,
,,5FKM,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,TDC:A:222,valid,,,,,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,6RBM,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MIY:A:301,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,2VKE,,,,,,,
,,,CL:A:1227,invalid,,,,,[Cl-],
,,,CL:A:1228,invalid,,,,,[Cl-],
,,,CL:A:1229,invalid,,,,,[Cl-],
,,,CO:A:223,Part of Protein,,,,,[Co+2],
,,,TAC:A:222,valid,,,,,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O,
,,2O7O,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,DXT:A:222,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FK7,,,,,,,
,,,4DM:A:210,valid,Kd,=,0.75,nM,Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O,
,,,4DM:B:210,valid,Kd,=,0.75,nM,Cc1c2cccc(c2c(c3c1C[C@H]4CC(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)O)O,
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,MG:B:209,Part of Protein,,,,,[Mg+2],
,,6RGX,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,DXT:B:301,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,,PGE:A:307,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,6RBL,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,DXT:A:301,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,2X6O,,,,,,,
,,,2TC:A:1209,valid,,,,,C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C#N)O)N(C)C,
,,,CL:A:1210,invalid,,,,,[Cl-],
,,,CL:A:1211,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1TI7,,,,,,,
,,,CL:A:384,invalid,,,,,[Cl-],
,,,CL:A:385,invalid,,,,,[Cl-],
,,,CL:A:386,invalid,,,,,[Cl-],
,,,CL:A:387,invalid,,,,,[Cl-],
,,,CL:A:388,invalid,,,,,[Cl-],
,,,CL:A:389,invalid,,,,,[Cl-],
,,,CL:A:390,invalid,,,,,[Cl-],
,,,CL:A:391,invalid,,,,,[Cl-],
,,,GOL:A:392,invalid,,,,,C(C(CO)O)O,
,,,K:A:379,Part of Protein,,,,,[K+],
,,,K:A:380,Part of Protein,,,,,[K+],
,,,K:A:381,Part of Protein,,,,,[K+],
,,,K:A:382,Part of Protein,,,,,[K+],
,,,K:A:383,Part of Protein,,,,,[K+],
,,,NAP:A:400,valid,Kd,=,65,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1K6X,,,,,,,
,,,CL:A:360,invalid,,,,,[Cl-],
,,,CL:A:361,invalid,,,,,[Cl-],
,,,CL:A:362,invalid,,,,,[Cl-],
,,,CL:A:363,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3KCC,,,,,,,
,,,CMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,1XXA,,,,,,,
,,,ARG:A:1,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:157,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:1,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:1,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:1,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:1,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,PB:C:416,invalid,,,,,[Pb+2],
,,,PB:C:419,invalid,,,,,[Pb+2],
,,,PB:D:418,invalid,,,,,[Pb+2],
,,,PB:F:417,invalid,,,,,[Pb+2],
,Family. Representative Entry is ,3I5C,,,,,,,
,,,C2E:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:3,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:2,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:4,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5CFQ,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1SY:B:401,valid,Kd,<,1,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,5CFM,,,,,,,
,,,4BW:A:401,valid,Kd,=,50,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,,,FLC:A:403,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:401,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5CFL,,,,,,,
,,,FLC:A:403,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:401,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,C2E:A:401,valid,Kd,=,15,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,5CFP,,,,,,,
,,,C2E:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3ZZS,,,,,,,
,,,TRP:A:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1073,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:1072,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:1073,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6MWL,,,,,,,
,,,K5G:A:301,valid,,,,,c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O,
,,,K5G:B:301,valid,,,,,c1cc(cc(c1)Br)OCCCC(=O)N[C@H]2CCSC2=O,
,,6MVN,,,,,,,
,,,3M5:A:301,valid,,,,,CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,,3M5:B:301,valid,,,,,CCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O,
,,6MWH,,,,,,,
,,,K5D:B:301,valid,,,,,c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O,
,,,K5D:A:301,valid,,,,,c1cc(cc(c1)Br)OCC(=O)N[C@@H]2C[C@@H]3C[C@@H]3[C@@H]2O,
,,6MWZ,,,,,,,
,,,K5M:A:301,valid,,,,,CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O,
,,,K5M:B:301,valid,,,,,CS(=O)(=O)c1cccc(c1)OCCCC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2=O,
,,,ALA HIS HIS HIS HIS ALA:M:354,invalid,,,,,,
,Family. Representative Entry is ,4L50,,,,,,,
,,,D8X:B:401,valid,Kd,=,0.88,uM,CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O,
,,,D8X:A:501,valid,Kd,=,0.88,uM,CC(C)CC(=O)C([C@H](COP(=O)(O)O)O)(O)O,
,,4L51,,,,,,,
,,,HSX:B:401,valid,Kd,=,995,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,HSX:A:501,valid,Kd,=,995,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,4L4Z,,,,,,,
,,,D5X:B:401,valid,Kd,=,2.1,uM,CC(=O)C([C@H](COP(=O)(O)O)O)(O)O,
,,,D5X:A:501,valid,Kd,=,2.1,uM,CC(=O)C([C@H](COP(=O)(O)O)O)(O)O,
,Family. Representative Entry is ,5X80,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAL:D:201,valid,Ka,=,24500,M^-1,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:201,valid,Ka,=,24500,M^-1,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:203,valid,Ka,=,24500,M^-1,c1ccc(c(c1)C(=O)O)O,
,,,SAL:C:201,valid,Ka,=,24500,M^-1,c1ccc(c(c1)C(=O)O)O,
,,5X7Z,,,,,,,
,,,BHA:A:201,valid,Ka,=,5470,M^-1,c1cc(c(cc1N)O)C(=O)O,
,Family. Representative Entry is ,1G7C,,,,,,,
,,,5GP:A:507,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1IJE,,,,,,,
,,,GDP:A:507,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5DI9,,,,,,,
,,,ZN:C:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:C:1102,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4AF5,,,,,,,
,,,MG:A:1187,Part of Protein,,,,,[Mg+2],
,,,CIT:A:1188,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1H2T,,,,,,,
,,,GDP 7MG:Z:1151,valid,Kd,~,13,nM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3[n+](C)c2)O1)[O-])(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])[O-],
,,1H2U,,,,,,,
,,,GDP 7MG:X:1153,valid,Kd,~,13,nM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3[n+](C)c2)O1)[O-])(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])[O-],
,,,GDP 7MG:Y:1152,valid,Kd,~,13,nM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3[n+](C)c2)O1)[O-])(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])[O-],
,,1N52,,,,,,,
,,,GOL:A:1555,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1556,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1557,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1564,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1565,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1566,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1569,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1572,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1573,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1568,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1570,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1571,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1574,invalid,,,,,C(C(CO)O)O,
,,,GTG:B:2137,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,MG:A:6000,Part of Protein,,,,,[Mg+2],
,,,PG4:A:3000,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3I59,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,N6R:A:301,valid,,,,,C[C@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@](=O)(O5)O)O,
,,,N6S:B:301,valid,,,,,C[C@@H](Cc1ccccc1)Nc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]5[C@@H](O4)CO[P@@](=O)(O5)O)O,
,Family. Representative Entry is ,5K7H,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,IVC:B:302,valid,Kd,=,0.99,uM,CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,IVC:A:305,valid,Kd,=,0.99,uM,CC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2HCJ,,,,,,,
,,,GDP:A:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GLV:B:1004,valid,,,,,C(=O)C(=O)O,
,,,MG:A:998,Part of Protein,,,,,[Mg+2],
,,,NA:B:1001,Part of Protein,,,,,[Na+],
,,,NA:B:1002,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAC:B:888,valid,,,,,C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O,
,Family. Representative Entry is ,5ZJZ,,,,,,,
,,,MGT:A:301,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5AIP,,,,,,,
,,,4HP:B:1146,valid,Kd,=,1.5,mM,c1cc(ccc1CC(=O)O)O,
,Family. Representative Entry is ,3GF2,,,,,,,
,,,SAL:A:147,valid,Kd,=,20,mM,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,5UNJ,,,,,,,
,,,RJW:A:601,valid,Kd,=,0.24,uM,CCCCCCC1=C([C@@]2(CC[C@H]([C@@H]2C1)O)C(=C)c3ccccc3)c4ccccc4,
,Family. Representative Entry is ,5D1R,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,56S:A:305,valid,,,,,CCCCCCCCCCCC(=O)OC(C)C,
,Family. Representative Entry is ,6IP0,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NI:A:602,Part of Protein,,,,,[Ni+2],
,,,AKG:A:601,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,5UWU,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,CL:C:1103,invalid,,,,,[Cl-],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5L95,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1EJ4,,,,,,,
,,,M7G:A:1000,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5CYV,,,,,,,
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,WCA:B:202,valid,Kd,=,11,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,WCA:B:201,valid,Kd,=,11,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5XSJ,,,,,,,
,,,XYP:X:500,valid,Kd,=,368,nM,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,1U9L,,,,,,,
,,,ASN ARG PRO ILE LEU SER LEU:C:34,valid,Kd,=,3.55,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CC(=O)N)CCCNC(=[NH2+])N)CCC1)C(CC)C)CC(C)C)CO)CC(C)C,
,,,AU:A:1001,invalid,,,,,[Au+],
,Family. Representative Entry is ,4IVN,,,,,,,
,,,BMX:B:1000,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,BMX:A:1000,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,3GJ8,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:D:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5T4J,,,,,,,
,,,PLP ABU:B:501,valid,Kd,=,2.6,mM,P(=O)(OCc1c(C=NCCCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,5X03,,,,,,,
,,,PLP ABU:A:501,valid,,,,,P(=O)(OCc1c(C=NCCCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5T4K,,,,,,,
,,,76U:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)CF)O,
,Family. Representative Entry is ,2WMC,,,,,,,
,,,MGP:A:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:B:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:C:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:D:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:E:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:F:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:G:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:H:500,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4QOS,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4QNR,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:305,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2C9C,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:300,invalid,,,,,[Mg+2],
,,2C99,,,,,,,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,2C96,,,,,,,
,,,ATP:A:962,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2C98,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6JDI,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,AGS:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,6J7E,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,AGS:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,5EXT,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5EXS,,,,,,,
,,,AGS:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,6JDL,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,AGS:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,1B63,,,,,,,
,,,ANP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,1B62,,,,,,,
,,,ADP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,1NHH,,,,,,,
,,,ANP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,MG:A:370,Part of Protein,,,,,[Mg+2],
,,,RB:A:470,invalid,,,,,[Rb+],
,,1NHJ,,,,,,,
,,,ANP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:370,Part of Protein,,,,,[Mg+2],
,,,NA:A:390,Part of Protein,,,,,[Na+],
,,1NHI,,,,,,,
,,,ANP:A:380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,K:A:470,Part of Protein,,,,,[K+],
,,,MG:A:370,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3QP6,,,,,,,
,,,HL6:A:266,valid,,,,,CCCCCC(=O)N[C@H]1CCOC1=O,
,Family. Representative Entry is ,1DB1,,,,,,,
,,,VDX:A:428,valid,Kd,=,0.55,nM,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,3A3Z,,,,,,,
,,,2MV:X:1,valid,,,,,C[C@H]1[C@@H](C/C(=C/C=C/2CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O,
,,,SO4:X:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IE8,,,,,,,
,,,KH1:A:500,valid,,,,,CCC(CC)(CCCO[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C)O,
,,2HAS,,,,,,,
,,,C3O:A:1001,valid,,,,,CCCO[C@H]1[C@@H](C/C(=C/C=C/2CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O,
,,1S0Z,,,,,,,
,,,EB1:A:510,valid,,,,,CCC(CC)(C=CC=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C)O,
,,3AZ1,,,,,,,
,,,DS2:A:1,valid,,,,,CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O,
,,1IE9,,,,,,,
,,,VDX:A:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,2HAM,,,,,,,
,,,C33:A:1001,valid,,,,,CCC[C@H]1[C@@H](C/C(=C/C=C/2CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O,
,,2HB8,,,,,,,
,,,MVD:A:1001,valid,,,,,C[C@H]1[C@@H](C/C(=C/C=C/2CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)/C(=C)[C@H]1O)O,
,,3CS4,,,,,,,
,,,COV:A:1,valid,,,,,C[C@]12CCC/C(=CC=C/3C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@@H](CO4)CC(C)(C)O)C,
,,1S19,,,,,,,
,,,MC9:A:500,valid,,,,,C[C@H](C=C[C@H](C1CC1)O)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C/4C[C@H](C[C@@H](C4=C)O)O)C,
,,3M7R,,,,,,,
,,,VDX:A:425,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,3A40,,,,,,,
,,,23R:X:1,valid,,,,,C[C@H]1[C@@H](C/C(=C/C=C/2CCC[C@]3([C@H]2CC[C@@H]3[C@@]4(C[C@H](CO4)CC(C)(C)O)C)C)/C(=C)[C@H]1O)O,
,,,SO4:X:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3AUR,,,,,,,
,,,CA9:A:1,valid,,,,,C[C@H]1[C@@H](CC(=C[C@H]1O)C#CC2=CCC[C@]3([C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O,
,,3KPZ,,,,,,,
,,,ZNE:A:525,valid,,,,,C[C@H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C/4C[C@H](C[C@@H](C4=C)O)O)C,
,,1TXI,,,,,,,
,,,TX5:A:500,valid,,,,,C[C@H](CC#CC(C)(C)O)[C@H]1CCC2[C@@]1(CCC/C2=CC=C3C[C@H](C[C@@H](C3)O)O)C,
,,4G2I,,,,,,,
,,,0VQ:A:501,valid,,,,,CC/C(=CC=CC(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO,
,,3CS6,,,,,,,
,,,0CO:A:1,valid,,,,,C[C@]12CCC/C(=CC=C/3C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2[C@@]4(C[C@H](CO4)CC(C)(C)O)C,
,,3AZ2,,,,,,,
,,,DS3:A:1,valid,,,,,CCC(CC)(c1ccc(c(c1)C)OCCCCC(=O)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O,
,,3AZ3,,,,,,,
,,,DS6:A:1,valid,,,,,CCC(CC)(c1ccc(c(c1)C)CC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OC[C@H](CCC(=O)O)O,
,,5YT2,,,,,,,
,,,90O:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@H]([C@@H](C3)O)CCCO)O)C,
,,5GIE,,,,,,,
,,,VDP:D:501,valid,Kd,=,769.2,nM,C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]4[C@@]3(CCC/C4=CC=C/5C[C@H](C[C@@H](C5=C)O)O)C,
,,,VDP:A:501,valid,Kd,=,769.2,nM,C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]4[C@@]3(CCC/C4=CC=C/5C[C@H](C[C@@H](C5=C)O)O)C,
,,,ASN HIS PRO MET LEU MET ASN LEU LEU LYS:C:626,invalid,,,,,,
,,,ASN HIS PRO MET LEU MET ASN LEU LEU LYS:E:626,invalid,,,,,,
,,2HB7,,,,,,,
,,,O1C:A:1001,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H]([C@@H]([C@@H](C3=C)O)CCCO)O)C,
,,3VHW,,,,,,,
,,,VHW:A:1,valid,,,,,CCC1(CC/C(=C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C/4C[C@H]([C@@H]([C@@H](C4=C)O)OCCCO)O)C)/C1=O)C(=O)OC,
,,2HAR,,,,,,,
,,,OCC:A:1001,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H]([C@@H]([C@@H](C3=C)O)OCCCO)O)C,
,,5GID,,,,,,,
,,,ASN HIS PRO MET LEU MET ASN LEU LEU:C:626,invalid,,,,,,
,,,VDP:A:501,valid,Kd,=,769.2,nM,C[C@H](C[C@H]1C[C@@](C(=O)N1CCCCc2ccccc2)(C)O)[C@H]3CC[C@@H]4[C@@]3(CCC/C4=CC=C/5C[C@H](C[C@@H](C5=C)O)O)C,
,,3TKC,,,,,,,
,,,FMV:A:1,valid,,,,,C[C@H](c1ccc(o1)C(C)(C)O)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C/4C[C@H](C[C@@H](C4=C)O)O)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ITE,,,,,,,
,,,TEY:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C,
,,5GIC,,,,,,,
,,,ASN HIS PRO MET LEU MET ASN LEU LEU LYS:C:626,invalid,,,,,,
,,,DLC:A:501,valid,Kd,=,330.9,nM,C[C@H]1/C(=CC=C2/C[C@H](C[C@@H](C2=C)O)O)/CCC[C@]1(C)[C@H](C)[C@H](C)C[C@H]3C[C@@](C(=O)N3CCc4ccccc4)(C)O,
,,3P8X,,,,,,,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZYD:A:1,valid,,,,,CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O,
,,5YSY,,,,,,,
,,,90L:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@]1(CCC=C2/C=C/C3=C[C@H]([C@@H]([C@@H](C3)O)CCCO)O)C,
,Family. Representative Entry is ,6R3V,,,,,,,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DTT:B:205,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MES:B:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,1JGS,,,,,,,
,,,SAL:A:256,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:257,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,3B1M,,,,,,,
,,,KRC:A:1,valid,Ki,=,3.3,nM,CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC,
,,5Z5S,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,RTE:A:501,valid,,,,,Cn1c2cc(ccc2nc1COc3cccc(c3)C(=O)O)Oc4ccc(c(c4)F)Cl,
,,3V9V,,,,,,,
,,,21L:A:501,valid,,,,,CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCC(=O)OC)OC)O)C)O,
,,5Z6S,,,,,,,
,,,RTF:A:501,valid,,,,,Cc1cc(c(nc1)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C)C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,3V9T,,,,,,,
,,,17L:A:501,valid,,,,,CCOc1cc2ccccc2c(c1)CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC,
,,6IZN,,,,,,,
,,,B1O:A:501,valid,,,,,Cc1ccc(c(n1)C)Oc2ccc3c(c2F)n(c(n3)COc4cccc(c4)C(=O)O)C,
,,6IZM,,,,,,,
,,,B0X:A:501,valid,,,,,Cc1ccc(c(n1)C)Oc2ccc3c(c2)n(c(n3)COc4cccc(c4)C(=O)O)C,
,Family. Representative Entry is ,5ZZO,,,,,,,
,,,FLC:F:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,4W9H,,,,,,,
,,,3JF:L:301,valid,Kd,=,0.185,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JF:C:301,valid,Kd,=,0.185,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JF:I:301,valid,Kd,=,0.185,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,,,3JF:F:301,valid,Kd,=,0.185,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)C)O,
,Family. Representative Entry is ,1WAP,,,,,,,
,,,TRP:A:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:I:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:J:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:K:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:L:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:M:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:N:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:O:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:P:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:Q:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:R:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:S:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:T:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:U:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:V:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5Y2W,,,,,,,
,,,PGA:A:401,valid,Kd,=,0.43,mM,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5ZZ6,,,,,,,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5ZZ7,,,,,,,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1LOJ,,,,,,,
,,,MPD:A:7005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:7011,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:7006,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:7004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:7012,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:7013,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:7007,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:7008,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:7014,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:J:7001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:7002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:L:7003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:7010,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:N:7009,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,U:A:9010,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:D:9008,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:H:9003,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:I:9002,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:K:9014,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:N:9013,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,URI:B:9007,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:C:9011,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:E:9006,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:F:9009,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:G:9012,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:J:9001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:L:9005,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:M:9004,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,6CIT,,,,,,,
,,,GOL:C:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:C:1101,invalid,,,,,[Cl-],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4M8E,,,,,,,
,,,29V:A:500,valid,Kd,=,13,nM,C[C@H]1CC/C(=CC(=C/C/C=C(C)/CC(=O)O)C)/c2c1cccc2,
,,3OZJ,,,,,,,
,,,BGV:A:1,valid,,,,,C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2,
,,,BGV:C:1,valid,,,,,C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2,
,,5MK4,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:C:502,invalid,,,,,[Cl-],
,,,I5W:C:501,valid,,,,,Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3,
,,,I5W:A:501,valid,,,,,Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3,
,,5EC9,,,,,,,
,,,5LO:A:501,valid,,,,,CC1(CCC(c2c1cc3c(c2)O[C@H]4[C@@]3(CCC4)c5ccc(cc5)C(=O)O)(C)C)C,
,,3OAP,,,,,,,
,,,9CR:A:500,valid,Kd,=,14,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,4M8H,,,,,,,
,,,R4M:A:500,valid,Kd,=,25,nM,C[C@@H]1CC/C(=CC(=C/CC/C(=C/C(=O)O)/C)C)/c2c1cccc2,
,,5MKU,,,,,,,
,,,J57:A:501,valid,,,,,CC(C)c1cccc(c1)c2cc(ccc2O)/C=C/C(=O)O,
,Family. Representative Entry is ,2BEK,,,,,,,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,2BEJ,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1PZL,,,,,,,
,,,MYR:A:500,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1CMC,,,,,,,
,,,MG:A:106,Part of Protein,,,,,[Mg+2],
,,,MG:B:106,Part of Protein,,,,,[Mg+2],
,,,SAM:A:105,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:105,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1MJL,,,,,,,
,,,SAM:A:200,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:400,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2V8W,,,,,,,
,,,MGO:A:1218,valid,Kd,=,146,nM,C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGO:E:1218,valid,Kd,=,146,nM,C[n+]1cn(c2c1C(=O)NC(=C2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2V8Y,,,,,,,
,,,MGV:A:1218,valid,Kd,=,1.96,uM,c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F,
,,,MGV:E:1218,valid,Kd,=,1.96,uM,c1cc(ccc1C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)F,
,,2V8X,,,,,,,
,,,MGQ:A:1218,valid,Kd,=,6.95,uM,c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,,,MGQ:E:1218,valid,Kd,=,6.95,uM,c1ccc(cc1)C[n+]2cn(c3c2C(=O)NC(=N3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5YT0,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5X8Q,,,,,,,
,,,82R:E:9000,valid,,,,,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1,
,,,82R:C:9000,valid,,,,,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1,
,,,82R:A:9000,valid,,,,,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1,
,,,82R:G:9000,valid,,,,,C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3([C@@H](C[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1,
,,6IVX,,,,,,,
,,,AYO:E:9000,valid,,,,,CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4,
,,,AYO:G:9000,valid,,,,,CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4,
,,,AYO:C:9000,valid,,,,,CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4,
,,,AYO:A:9000,valid,,,,,CC(C)(C)Cc1cc(no1)c2c(c(no2)[C@@H](CCC(=O)O)CC(=O)Nc3ccc(cc3Cl)Cl)C4CC4,
,Family. Representative Entry is ,5UWR,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,CL:C:1103,invalid,,,,,[Cl-],
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5IGL,,,,,,,
,,,BMF:A:1701,valid,Kd,=,42.7,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,Family. Representative Entry is ,1R6N,,,,,,,
,,,434:A:1111,valid,Kd,=,40,nM,Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O,
,,,434:A:1112,valid,Kd,=,40,nM,Cc1ccc2c(c1)C(=O)[C@]3(C2=O)[C@@H]([C@@H]([C@@H](O3)c4ccc(c(c4)Cl)Cl)C(=O)Nc5ccc(cc5)c6csnn6)C(=O)O,
,,,ALQ:A:1113,invalid,,,,,CC(C)C(=O)O,
,,,DMS:A:1114,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,5HBN,,,,,,,
,,,RPI:A:207,valid,Kd,=,12.9,uM,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,RPI:A:206,valid,Kd,=,12.9,uM,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NP(=O)(O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6UYC,,,,,,,
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,QLV:A:501,valid,Kd,=,229,nM,COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F,
,,,QLV:B:502,valid,Kd,=,229,nM,COc1c(cc(cn1)NS(=O)(=O)C)/C=C/C2CCC(CC2)(F)F,
,,6UYB,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,QSJ:A:602,valid,Kd,=,6.2,uM,Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O,
,,,QSJ:B:602,valid,Kd,=,6.2,uM,Cc1cc(cc(c1OC)/C=C/c2ccc(cc2)Cl)N3C[C@H]([C@H](C3=O)O)O,
,,,TRS:B:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5DQ8,,,,,,,
,,,FLF:A:501,valid,Kd,=,73,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,FLF:B:501,valid,Kd,=,73,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,FLF:B:502,valid,Kd,=,73,uM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,5HGU,,,,,,,
,,,PLM:A:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,5DQE,,,,,,,
,,,5E4:A:501,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br,
,,,5E4:B:501,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br,
,,,5E4:B:502,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br,
,,6CDY,,,,,,,
,,,EY1:A:501,valid,,,,,c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5,
,,,EY1:B:501,valid,,,,,c1cc(ccc1C23CC4CC(C2)CC(C4)C3)NC(=O)CSc5[nH]cnn5,
,Family. Representative Entry is ,5X13,,,,,,,
,,,HC4:A:201,valid,Kd,=,6.2,uM,c1cc(ccc1C=CC(=O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,5Y8T,,,,,,,
,,,HC4:B:301,valid,Kd,=,6.2,uM,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:A:301,valid,Kd,=,6.2,uM,c1cc(ccc1C=CC(=O)O)O,
,,5X14,,,,,,,
,,,FER:A:201,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6YII,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,NA:A:610,Part of Protein,,,,,[Na+],
,,,NA:A:609,Part of Protein,,,,,[Na+],
,,,NA:A:608,invalid,,,,,[Na+],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1ZDT,,,,,,,
,,,PEF:A:1001,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,
,,,PEF:B:1002,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,2AGC,,,,,,,
,,,DAO:A:2055,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:2057,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,MYR:A:3045,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1L5Y,,,,,,,
,,,BEF:A:660,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:661,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:672,valid,,,,,[Be-](F)(F)F,
,,,BF2:A:662,invalid,,,,,[Be](F)F,
,,,BF2:A:663,invalid,,,,,[Be](F)F,
,,,BF2:A:664,invalid,,,,,[Be](F)F,
,,,BF2:A:665,invalid,,,,,[Be](F)F,
,,,BF2:A:667,invalid,,,,,[Be](F)F,
,,,BF2:A:669,invalid,,,,,[Be](F)F,
,,,BF2:A:670,invalid,,,,,[Be](F)F,
,,,BF2:A:671,invalid,,,,,[Be](F)F,
,,,BF2:B:666,invalid,,,,,[Be](F)F,
,,,BF2:B:668,invalid,,,,,[Be](F)F,
,,,BF4:A:673,valid,,,,,[Be-2](F)(F)(F)F,
,,,GOL:B:674,invalid,,,,,C(C(CO)O)O,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4W97,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,UCA:A:301,valid,Kd,=,0.08,uM,C[C@]12CCC(=O)[C@H]([C@@H]1CCC2=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1NRL,,,,,,,
,,,SRL:A:1,valid,,,,,CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC,
,,,SRL:B:2,valid,,,,,CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC,
,Family. Representative Entry is ,6GZ2,,,,,,,
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,4RWF,,,,,,,
,,,EDO:A:2203,invalid,,,,,C(CO)O,
,,,EDO:A:2204,invalid,,,,,C(CO)O,
,,,EDO:A:2206,invalid,,,,,C(CO)O,
,,,EDO:A:2205,invalid,,,,,C(CO)O,
,,,EDO:A:2202,invalid,,,,,C(CO)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6AD9,,,,,,,
,,,KK4:A:501,valid,,,,,CCCc1nc2c(cccc2n1Cc3ccc4c(c3)COc5ccccc5/C4=C(C)/C6=NOC(=O)N6)C,
,Family. Representative Entry is ,4QJR,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,PIZ:A:501,valid,Kd,=,80,nM,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCC,
,,3F7D,,,,,,,
,,,P42:A:1,valid,,,,,CCCCCCCCCCCCCCCCC[C@H](O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O[C@H](CCCCCCCCCCCCCCC)O,
,Family. Representative Entry is ,1M2K,,,,,,,
,,,APR:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1M2J,,,,,,,
,,,APR:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1M2G,,,,,,,
,,,APR:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1ICI,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,1M2H,,,,,,,
,,,APR:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4W9F,,,,,,,
,,,3JU:L:301,valid,Kd,=,3.27,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JU:I:301,valid,Kd,=,3.27,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JU:C:301,valid,Kd,=,3.27,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,,,3JU:F:301,valid,Kd,=,3.27,uM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)CC(C)(C)C)O,
,Family. Representative Entry is ,2B56,,,,,,,
,,,MG:A:488,Part of Protein,,,,,[Mg+2],
,,,U5P:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2B51,,,,,,,
,,,MN:A:488,Part of Protein,,,,,[Mn+2],
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2F7A,,,,,,,
,,,ACT:B:1004,invalid,,,,,CC(=O)[O-],
,,,BEZ:A:1003,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1002,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,CCU:B:1001,valid,Kd,=,0.12,mM,C(=C/C(=O)O)/C=CC(=O)O,
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2F78,,,,,,,
,,,BEZ:A:1001,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1003,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1002,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1004,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1005,valid,Kd,=,1,mM,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,1SKQ,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,1JNY,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5ZJY,,,,,,,
,,,MGP:A:1001,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1YUC,,,,,,,
,,,EPH:A:1001,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,EPH:B:1002,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,GOL:A:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5003,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2GX5,,,,,,,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:524,invalid,,,,,C(C(CO)O)O,
,,,P6G:C:513,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PCG:C:514,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PG4:C:512,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:515,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2B18,,,,,,,
,,,ILE:A:1001,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,2HGV,,,,,,,
,,,VAL:A:200,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2F5T,,,,,,,
,,,IMD:X:344,invalid,,,,,c1c[nH+]c[nH]1,
,,,GLC GLC:A:1,valid,Kd,=,6.8,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5Z49,,,,,,,
,,,RUB:A:401,valid,,,,,C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4ZSI,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,4R1:B:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)OP(=O)(O)O,
,,,GLP:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,4ZSK,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,16G:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,4QY:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1XAP,,,,,,,
,,,TTB:A:1,valid,Kd,=,2.5,nM,C/C(=Cc1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C,
,Family. Representative Entry is ,2CHG,,,,,,,
,,,ANP:B:1226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1225,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1225,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1227,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1228,invalid,,,,,[Mg+2],
,,,MG:B:1227,invalid,,,,,[Mg+2],
,,,MG:C:1226,invalid,,,,,[Mg+2],
,,,MG:D:1226,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3O75,,,,,,,
,,,F1X:A:1,valid,Kd,=,209,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O,
,,,F1X:B:1,valid,Kd,=,209,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O,
,Family. Representative Entry is ,6X2U,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5UWI,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6ONJ,,,,,,,
,,,BRL:A:501,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,Family. Representative Entry is ,5UWP,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3FRQ,,,,,,,
,,,CL:A:198,invalid,,,,,[Cl-],
,,,CL:B:200,invalid,,,,,[Cl-],
,,,ERY:A:195,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,ERY:B:195,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,GOL:A:196,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:197,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:196,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:197,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:198,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:199,invalid,,,,,C(C(CO)O)O,
,,6U18,,,,,,,
,,,FLC:A:202,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,CTY:A:201,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,
,,,CTY:B:201,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,
,Family. Representative Entry is ,1G7S,,,,,,,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1G7T,,,,,,,
,,,GNP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WXH,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA:P:1,valid,,,,,,
,,,ALA ARG THR M3L GLN THR ALA:D:1,valid,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5WXG,,,,,,,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,ALA ARG THR ALY GLN THR ALA:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)CCC(=O)N)CCCCNC(=O)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,Family. Representative Entry is ,3GJ4,,,,,,,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:D:300,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2Q5Y,,,,,,,
,,,SER LYS TYR GLY LEU GLN ASP:B:866,valid,,,,,O=C(NCC(=O)NC(C=O)CC(C)C)C(N)Cc1ccc(O)cc1,
,,,SER LYS TYR GLY LEU GLN ASP:D:866,valid,,,,,O=C(NCC(=O)NC(C=O)CC(C)C)C(N)Cc1ccc(O)cc1,
,Family. Representative Entry is ,5T48,,,,,,,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2ARC,,,,,,,
,,,ARA:A:171,valid,Kd,=,1,mM,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:171,valid,Kd,=,1,mM,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,2AAC,,,,,,,
,,,ACY:A:406,invalid,,,,,CC(=O)O,
,,,ACY:B:407,invalid,,,,,CC(=O)O,
,,,FCB:A:1,valid,Kd,=,6,mM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,FCB:B:179,valid,Kd,=,6,mM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,2QA8,,,,,,,
,,,GEN:A:600,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,,GEN:B:600,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,Family. Representative Entry is ,2UXI,,,,,,,
,,,G50:A:1211,valid,Kd,=,0.05,uM,c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O,
,,,G50:B:1211,valid,Kd,=,0.05,uM,c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O,
,,,G50:B:1212,valid,Kd,=,0.05,uM,c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O,
,,2UXH,,,,,,,
,,,QUE:A:1211,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:1211,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,2UXU,,,,,,,
,,,NAR:A:1211,valid,Kd,=,18,uM,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:B:1211,valid,Kd,=,18,uM,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,Family. Representative Entry is ,6J72,,,,,,,
,,,GTP:A:701,valid,Kd,=,0.74,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,TLA:A:703,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3BBD,,,,,,,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:210,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:206,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:207,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4WKM,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,ALA FGA API DAL DAL MUB:O:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:P:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:M:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:I:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:J:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:K:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:L:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL MUB:N:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,Family. Representative Entry is ,1L8B,,,,,,,
,,,MGP:A:1000,valid,Kd,=,0.14,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:B:2000,valid,Kd,=,0.14,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5OSX,,,,,,,
,,,K:B:302,Part of Protein,,,,,[K+],
,,,AKW:B:301,valid,ic50,=,0.285,uM,C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,AKW:A:301,valid,ic50,=,0.285,uM,C[n+]1cn(c2c1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSP(=O)(O)OP(=O)(O)OP(=O)(O)SCC4[C@@H]([C@@H](C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,5J5Y,,,,,,,
,,,6G6:A:300,valid,Ka,=,82.8,M^-1,C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC,
,,,6G6:B:301,valid,Ka,=,82.8,M^-1,C[n+]1cn(c2c1c(nc(n2)N)[O-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(C(P(=O)(O)OP(=O)(O)O)(Cl)Cl)O)O)OC,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,4TPW,,,,,,,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:B:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MES:B:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,33R:A:302,valid,Kd,=,20.5,uM,c1ccc(c(c1)C/C(=NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)/C(=O)O)N(=O)=O,
,,4TQB,,,,,,,
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MGT:A:301,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:1000,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,34K:A:302,valid,,,,,c1ccc(c(c1)C/C(=NNc2nc(cs2)c3ccc(cc3)Br)/C(=O)O)N(=O)=O,
,,1EJ1,,,,,,,
,,,M7G:A:1000,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:B:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,4TQC,,,,,,,
,,,34J:A:302,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)NNc2nc(cs2)c3ccc(c(c3)Cl)Cl)N(=O)=O)N,
,,,M7G:B:1000,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:A:301,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,5J5O,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,6G0:A:301,valid,Ka,=,102.8,M^-1,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,6G0:C:300,valid,Ka,=,102.8,M^-1,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,6G0:D:300,valid,Ka,=,102.8,M^-1,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,6G0:B:301,valid,Ka,=,102.8,M^-1,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1EJH,,,,,,,
,,,M7G:A:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:B:1002,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:C:1003,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G:D:1004,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6UGL,,,,,,,
,,,QOS:A:301,valid,Kd,=,2.3,uM,CC1=CNC(=O)C(=N1)C,
,,,QOS:B:301,valid,Kd,=,2.3,uM,CC1=CNC(=O)C(=N1)C,
,,6KJU,,,,,,,
,,,A1U:B:301,valid,,,,,Cc1cnc(c(n1)C)O,
,,,A1U:A:301,valid,,,,,Cc1cnc(c(n1)C)O,
,Family. Representative Entry is ,1L6O,,,,,,,
,,,SER LEU LYS LEU MET THR THR VAL:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C(O)C)C,
,,,SER LEU LYS LEU MET THR THR VAL:E:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C(O)C)C,
,,,SER LEU LYS LEU MET THR THR VAL:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCCC[NH3+])CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(O)C)C(O)C)C,
,Family. Representative Entry is ,4JIZ,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,TYR HIS SEP VAL VAL ARG TYR ALA:B:1,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1nc[nH]c1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)C(C)C)C(C)C)([O-])[O-],
,Family. Representative Entry is ,2LBD,,,,,,,
,,,REA:A:500,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,4LBD,,,,,,,
,,,961:A:1,valid,,,,,CC1(CCC(c2c1ccc(c2)[C@@H](C(=O)Nc3ccc(cc3F)C(=O)O)O)(C)C)C,
,Family. Representative Entry is ,6C28,,,,,,,
,,,WCA:D:201,valid,Kd,=,68,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,WCA:C:201,valid,Kd,=,68,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,WCA:B:201,valid,Kd,=,68,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,WCA:A:201,valid,Kd,=,68,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,Family. Representative Entry is ,3MMG,,,,,,,
,,,FMT:A:242,invalid,,,,,C(=O)O,
,,,GLU THR VAL ARG PHE GLN SER ASP:C:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCC(=O)N)Cc1ccccc1)CCCNC(=[NH2+])N)C(C)C)C(NC(=O)C([NH3+])CCC(=O)[O-])C(O)C,
,,,GLU THR VAL ARG PHE GLN SER ASP:D:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCC(=O)N)Cc1ccccc1)CCCNC(=[NH2+])N)C(C)C)C(NC(=O)C([NH3+])CCC(=O)[O-])C(O)C,
,Family. Representative Entry is ,1U0J,,,,,,,
,,,ADP:A:491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3GYT,,,,,,,
,,,DL4:A:100,valid,,,,,C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,3GYU,,,,,,,
,,,DL7:A:200,valid,,,,,C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,
,Family. Representative Entry is ,5EY0,,,,,,,
,,,GTP:A:302,valid,Kd,=,2.26,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:302,valid,Kd,=,2.26,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ILE:A:301,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:B:301,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,5EY1,,,,,,,
,,,GTP:A:302,valid,Kd,=,2.26,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:302,valid,Kd,=,2.26,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ILE:B:301,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:A:301,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5EP2,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,AZU:A:401,valid,,,,,CC(C)(C)COC(=O)CSC1=NNC(=O)NC1=O,
,,5EP3,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,5QT:A:401,valid,,,,,CC(C)(C)COC(=O)CNC1=NNC(=O)NC1=S,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EP4,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5ZK5,,,,,,,
,,,MK8:B:101,invalid,,,,,CCCC[C@@](C)(C(=O)O)N,
,,,MGT:A:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1N0U,,,,,,,
,,,SO1:A:843,valid,,,,,C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@H]4CC([C@@]3([C@@]2(C4)C=O)C(=O)O)C(C)C)CO[C@H]5[C@H]([C@@H]([C@@H]([C@H](O5)C)OC)O)O,
,Family. Representative Entry is ,3M94,,,,,,,
,,,ACE:C:0,invalid,,,,,CC=O,
,,,M7M:A:1,valid,,,,,CN1CN(C2=C1C(=O)N=C(N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5FG3,,,,,,,
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1F9P,,,,,,,
,,,ESA ESA ESA:A:101,valid,,,,,S(=O)(=O)([O-])C(CC(S(=O)(=O)[O-])C)CCS(=O)(=O)[O-],
,Family. Representative Entry is ,3ZZQ,,,,,,,
,,,TRP:A:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:81,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:91,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1VKF,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:503,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2H6B,,,,,,,
,,,3C4:A:302,valid,Kd,=,4.1,uM,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:B:301,valid,Kd,=,4.1,uM,c1cc(c(cc1CC(=O)O)Cl)O,
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3E5X,,,,,,,
,,,3C4:A:501,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:B:504,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:B:505,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:C:502,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:D:503,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,3E5U,,,,,,,
,,,3C4:A:501,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:A:505,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:B:503,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:C:504,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:D:502,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,NA:A:701,invalid,,,,,[Na+],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3E6B,,,,,,,
,,,3C4:A:301,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,,,3C4:B:301,valid,,,,,c1cc(c(cc1CC(=O)O)Cl)O,
,Family. Representative Entry is ,3FS1,,,,,,,
,,,ALA ALA LEU ALA ALA LEU LEU ALA ALA:B:8,valid,,,,,,
,,,MYR:A:500,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3ANP,,,,,,,
,,,DAO:D:1003,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DCC:A:1001,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:A:1002,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:D:1000,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3ANG,,,,,,,
,,,DCC:A:1002,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:B:1001,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:C:1003,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCC:D:1000,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2IDV,,,,,,,
,,,M7G:A:1000,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5XSS,,,,,,,
,,,XYP:B:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:500,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:X:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,5CXI,,,,,,,
,,,5TW:B:201,valid,Kd,=,280,nM,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O,
,,,5TW:A:201,valid,Kd,=,280,nM,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@H](O5)n6cnc7c6ncnc7N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6AYH,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,C3G:A:302,valid,Kd,=,2.7,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,Family. Representative Entry is ,2JGB,,,,,,,
,,,MGT:B:1000,valid,Ka,=,410000,M^-1,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1K0D,,,,,,,
,,,GSH:A:355,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:356,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:357,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1K0B,,,,,,,
,,,GSH:A:355,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:356,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,1K0A,,,,,,,
,,,GSH:B:356,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTX:A:355,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,1K0C,,,,,,,
,,,GSH:D:358,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTB:A:355,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:B:356,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:C:357,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,Family. Representative Entry is ,6K3N,,,,,,,
,,,CW6:A:501,valid,ic50,=,5.3,nM,CC(C)(c1ccc(cc1)O)c2ccc(c(c2)F)O,
,,2ZAS,,,,,,,
,,,1OH:A:460,valid,ic50,=,13.9,nM,CC(C)(c1ccccc1)c2ccc(cc2)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,6I61,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,H3W:A:501,valid,Kd,=,569,nM,CCC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,6I66,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,H4Q:A:501,valid,Kd,=,182.5,nM,CC[C@@H](C)c1ccc(cc1)O,
,,6I64,,,,,,,
,,,H48:A:501,valid,Kd,=,48.7,nM,CC(c1ccc(cc1)O)c2ccc(cc2)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,2EWP,,,,,,,
,,,TXF:A:501,valid,ic50,=,0.079,uM,CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)c2ccccc2)/c3ccc(cc3)O,
,,,TXF:B:502,valid,ic50,=,0.079,uM,CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)c2ccccc2)/c3ccc(cc3)O,
,,,TXF:C:503,valid,ic50,=,0.079,uM,CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)c2ccccc2)/c3ccc(cc3)O,
,,,TXF:D:504,valid,ic50,=,0.079,uM,CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)c2ccccc2)/c3ccc(cc3)O,
,,,TXF:E:505,valid,ic50,=,0.079,uM,CN(C)CCOc1ccc(cc1)/C(=C(/CCCO)c2ccccc2)/c3ccc(cc3)O,
,,1S9P,,,,,,,
,,,DES:A:459,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:B:459,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:C:500,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:D:600,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,6I67,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,H42:A:501,valid,Kd,=,201.4,nM,c1cc2c(cc1O)CCCC2,
,,2E2R,,,,,,,
,,,2OH:A:1401,valid,Kd,=,5.5,nM,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,2P7Z,,,,,,,
,,,OHT:A:201,valid,Kd,=,0.262,uM,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,6I65,,,,,,,
,,,H3Z:A:501,valid,Kd,=,390.4,nM,CC(C)c1ccc(cc1)O,
,,6I62,,,,,,,
,,,27N:A:501,valid,Kd,=,157.3,nM,c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O,
,,2GPU,,,,,,,
,,,OHT:A:459,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,6I63,,,,,,,
,,,2OH:A:501,valid,Kd,=,98,nM,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,2P7A,,,,,,,
,,,43M:A:1,valid,Kd,=,0.788,uM,Cc1cc(ccc1Cl)O,
,,2P7G,,,,,,,
,,,2OH:A:1,valid,Kd,=,0.297,uM,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,1S9Q,,,,,,,
,,,CHD:A:459,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,OHT:A:200,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:B:459,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,Family. Representative Entry is ,5ABX,,,,,,,
,,,MGP:A:1216,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:B:1508,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1509,invalid,,,,,[Zn+2],
,,,ZN:A:1217,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1218,Part of Protein,,,,,[Zn+2],
,,,CL:A:1219,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2F7C,,,,,,,
,,,CCU:A:2,valid,,,,,C(=C/C(=O)O)/C=CC(=O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5DEQ,,,,,,,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,ARA:A:301,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:B:301,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5GRM,,,,,,,
,,,1SY:B:401,valid,Kd,=,0.12,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,Family. Representative Entry is ,5UWT,,,,,,,
,,,GOL:C:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1KK1,,,,,,,
,,,GNP:A:412,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,1KK3,,,,,,,
,,,GDP:A:412,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,1KK2,,,,,,,
,,,GDP:A:412,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6WJO,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,invalid,,,,,[Na+],
,,,TYR:A:201,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:201,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2VT3,,,,,,,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2VT2,,,,,,,
,,,NAD:A:1210,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1214,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1YMT,,,,,,,
,,,DR9:A:500,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCCC=C/CCCCCC,
,Family. Representative Entry is ,1H9G,,,,,,,
,,,COA MYR:A:1228,valid,Kd,=,59,nM,,
,Family. Representative Entry is ,6O6N,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,5F9:A:301,valid,Ki,=,42,nM,CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6O6O,,,,,,,
,,,MYR:B:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1ONI,,,,,,,
,,,BEZ:A:501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:503,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:504,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:505,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:507,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:508,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:E:509,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:F:511,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:G:513,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:H:515,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:I:517,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:I:518,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,6FC1,,,,,,,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,MGP:C:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MGP:A:301,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6ZHO,,,,,,,
,,,PG4:A:2202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:2203,invalid,,,,,C(COCCOCCOCCO)O,
,,,QLQ:A:2201,valid,,,,,Cc1cc(cc2c1n[nH]c2)C[C@H](C(=O)N[C@@H](CC3CCNCC3)C(=O)N4CCN(CC4)c5ccncc5)NC(=O)N6CCC7(CC6)c8cccnc8NC(=O)O7,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6ZIS,,,,,,,
,,,PG4:A:2202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:2201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:2203,invalid,,,,,C(COCCOCCOCCO)O,
,,,3N6:A:2205,valid,,,,,c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
3.4.19.12,,,,,,,,,
,Family. Representative Entry is ,6IIL,,,,,,,
,,,A8F:A:501,valid,ic50,=,0.68,uM,Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3,
,,,A8F:B:501,valid,ic50,=,0.68,uM,Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCCCC3,
,,6IIM,,,,,,,
,,,A8L:A:501,valid,,,,,Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O,
,,,A8L:B:501,valid,,,,,Cc1cc(c(n1c2ccc(cc2)Cl)C)C(=O)CN3CCC(CC3)O,
,,6IIK,,,,,,,
,,,IU1:A:501,valid,ic50,=,12.25,uM,Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3,
,,,IU1:B:501,valid,ic50,=,12.25,uM,Cc1cc(c(n1c2ccc(cc2)F)C)C(=O)CN3CCCC3,
,Family. Representative Entry is ,6WOJ,,,,,,,
,,,APR:C:201,valid,Kd,=,16.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:A:201,valid,Kd,=,16.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:201,valid,Kd,=,16.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:D:201,valid,Kd,=,16.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,6Z5T,,,,,,,
,,,APR:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,NA:A:402,invalid,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,6W02,,,,,,,
,,,APR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6W6Y,,,,,,,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MES:B:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6Z6I,,,,,,,
,,,A1R:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:C:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,NA:C:411,invalid,,,,,[Na+],
,,,NA:C:409,invalid,,,,,[Na+],
,,,NA:D:410,invalid,,,,,[Na+],
,,,NA:C:410,invalid,,,,,[Na+],
,,,NA:A:408,invalid,,,,,[Na+],
,,,NA:C:408,Part of Protein,,,,,[Na+],
,,,NA:D:409,Part of Protein,,,,,[Na+],
,,,NA:B:405,invalid,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,MPO:B:403,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,6Z72,,,,,,,
,,,A3R:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,A3R:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,A3R:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,A3R:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,NA:B:403,invalid,,,,,[Na+],
,,,NA:C:404,invalid,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:D:404,Part of Protein,,,,,[Na+],
,,,MLT:D:402,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,6GH9,,,,,,,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,MIX:A:1003,valid,,,,,c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4OVZ,,,,,,,
,,,DMS:B:905,invalid,,,,,CS(=O)C,
,,,DMS:B:907,invalid,,,,,CS(=O)C,
,,,DMS:B:904,invalid,,,,,CS(=O)C,
,,,DMS:B:906,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,,P85:B:902,valid,ic50,=,0.49,uM,C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F,
,,,P85:A:902,valid,ic50,=,0.49,uM,C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc(cc4)F,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,NA:B:903,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5N9T,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8QQ:B:1003,valid,ic50,=,22,nM,Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN,
,,,8QQ:A:1005,valid,ic50,=,22,nM,Cn1c(c2c(n1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C[C@H](c4ccccc4)C(F)(F)F)O)c5ccc(cc5)CN,
,,5VS6,,,,,,,
,,,9QD:B:601,valid,Kd,=,104,nM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5,
,,,9QD:A:601,valid,Kd,=,104,nM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3cc(ccc3C2=O)NC(=O)CCN4CCN(CC4)C)O)c5ccccc5,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,5NGE,,,,,,,
,,,8WK:B:601,valid,Kd,=,65,nM,c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F,
,,,8WK:A:601,valid,Kd,=,65,nM,c1cc(ccc1n2c3c(cn2)C(=O)N(C=N3)CC4(CCN(CC4)C(=O)C[C@@H](C(F)F)n5ccc(n5)F)O)F,
,,5UQX,,,,,,,
,,,8JP:A:601,valid,Kd,=,246,uM,CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC,
,,,8JP:B:601,valid,Kd,=,246,uM,CCc1c(cnc(c1c2ccc(cc2)O)N)c3ccc(nc3)C(=O)NC,
,,5N9R,,,,,,,
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8RN:A:1003,valid,Kd,=,2.6,uM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4,
,,,8RN:B:1006,valid,Kd,=,2.6,uM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=Nc3c(csc3C2=O)Br)O)c4ccccc4,
,,,DMS:B:1003,invalid,,,,,CS(=O)C,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,6F5H,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,CQ5:A:1003,valid,ic50,=,0.087,uM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4,
,,,CQ5:B:1003,valid,ic50,=,0.087,uM,C[C@H](CC(=O)N1CCC(CC1)(CN2C=NC(=CC2=O)NCCN3CCCC3)O)c4ccccc4,
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5VSB,,,,,,,
,,,9QA:A:4000,valid,Kd,=,7.614,uM,c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O,
,,,9QA:B:4000,valid,Kd,=,7.614,uM,c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O,
,Family. Representative Entry is ,4OW0,,,,,,,
,,,S88:A:902,valid,ic50,=,0.15,uM,C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F,
,,,S88:B:902,valid,ic50,=,0.15,uM,C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4cccc(c4)F,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,DMS:B:903,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
3.5.1.31,,,,,,,,,
,Family. Representative Entry is ,1G27,,,,,,,
,,,BB1:A:1001,valid,ic50,=,7,nM,CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C,
,,,BB1:B:2002,valid,ic50,=,7,nM,CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C,
,,,BB1:C:3003,valid,ic50,=,7,nM,CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C,
,,,NI:A:9001,Part of Protein,,,,,[Ni+2],
,,,NI:B:9002,Part of Protein,,,,,[Ni+2],
,,,NI:C:9003,Part of Protein,,,,,[Ni+2],
,,1G2A,,,,,,,
,,,BB2:A:1001,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:2002,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:C:3003,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,NI:A:1169,Part of Protein,,,,,[Ni+2],
,,,NI:B:2169,Part of Protein,,,,,[Ni+2],
,,,NI:C:3169,Part of Protein,,,,,[Ni+2],
,,1BS8,,,,,,,
,,,MET ALA SER:D:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:E:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:F:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2001,Part of Protein,,,,,[Zn+2],
,,2AI8,,,,,,,
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,NI:B:603,Part of Protein,,,,,[Ni+2],
,,,NI:C:602,Part of Protein,,,,,[Ni+2],
,,,SB7:A:501,valid,ic50,=,0.16,uM,c1ccc(cc1)CCCN(CO)O,
,,,SB7:B:502,valid,ic50,=,0.16,uM,c1ccc(cc1)CCCN(CO)O,
,,,SB7:C:503,valid,ic50,=,0.16,uM,c1ccc(cc1)CCCN(CO)O,
,,1LRU,,,,,,,
,,,BB2:A:501,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:502,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:C:503,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:C:603,Part of Protein,,,,,[Zn+2],
,,1BS6,,,,,,,
,,,MET ALA SER:D:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:E:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,MET ALA SER:F:1,valid,,,,,S(CCCC(=O)NC(C(=O)NC(C(=O)[O-])CO)C)C,
,,,NI:A:2001,Part of Protein,,,,,[Ni+2],
,,,NI:B:2001,Part of Protein,,,,,[Ni+2],
,,,NI:C:2001,Part of Protein,,,,,[Ni+2],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1RL4,,,,,,,
,,,BL5:A:501,valid,ic50,=,130,nM,CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2,
,,,BL5:B:1501,valid,ic50,=,130,nM,CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc2ccccc2,
,,,BRR:A:401,valid,,,,,CCCC[C@H](CN(C=O)O)C(=O)O,
,,,BRR:B:1401,valid,,,,,CCCC[C@H](CN(C=O)O)C(=O)O,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:B:1301,Part of Protein,,,,,[Co+2],
2.7.6.1,,,,,,,,,
,Family. Representative Entry is ,3MBI,,,,,,,
,,,ADP:A:288,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:286,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:288,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:288,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HSX:D:286,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,MG:A:287,Part of Protein,,,,,[Mg+2],
,,,MG:C:289,Part of Protein,,,,,[Mg+2],
,,,MG:D:287,Part of Protein,,,,,[Mg+2],
,,,MG:B:287,invalid,,,,,[Mg+2],
,,,PO4:A:286,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:286,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:287,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NAG,,,,,,,
,,,ADP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:287,invalid,,,,,[Mg+2],
,,,SO4:A:287,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LPN,,,,,,,
,,,APC:A:287,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:287,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,SO4:A:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LRT,,,,,,,
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:287,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:287,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5T3O,,,,,,,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1DKU,,,,,,,
,,,ABM:A:1003,valid,,,,,C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ABM:B:1004,valid,,,,,C[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,AP2:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,AP2:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2HCR,,,,,,,
,,,AMP:A:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:3002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CD:A:2002,invalid,,,,,[Cd+2],
,,,CD:B:2001,invalid,,,,,[Cd+2],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
4.2.1.3,,,,,,,,,
,Family. Representative Entry is ,1C96,,,,,,,
,,,FLC:A:756,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,O:A:1500,invalid,,,,,O,
,,,SF4:A:755,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1NIS,,,,,,,
,,,NTC:A:755,valid,,,,,C(C(=O)O)[C@@](C[N+](=O)[O-])(C(=O)O)O,
,,,SF4:A:999,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1ACO,,,,,,,
,,,SF4:A:999,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TRA:A:755,valid,,,,,C(/C(=CC(=O)[O-])/C(=O)[O-])C(=O)[O-],
,,1B0J,,,,,,,
,,,ICT:A:756,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,SF4:A:755,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1C97,,,,,,,
,,,ICT:A:1500,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,SF4:A:755,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6ACN,,,,,,,
,,,SF4:A:999,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRC:A:899,valid,,,,,C(C(CC(=O)O)C(=O)O)C(=O)O,
,,1B0M,,,,,,,
,,,FLC:A:756,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SF4:A:755,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5ACN,,,,,,,
,,,F3S:A:999,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRC:A:899,valid,,,,,C(C(CC(=O)O)C(=O)O)C(=O)O,
,,1B0K,,,,,,,
,,,FLC:A:756,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,O:A:1100,invalid,,,,,O,
,,,SF4:A:755,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1AMI,,,,,,,
,,,MIC:A:755,valid,,,,,C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O,
,,,SF4:A:999,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1FGH,,,,,,,
,,,ATH:A:755,valid,,,,,C(=C(/[C@H](C(=O)[O-])O)C(=O)[O-])/C(=O)[O-],
,,,SF4:A:999,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,1L5J,,,,,,,
,,,F3S:A:868,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:869,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,TRA:A:866,valid,,,,,C(/C(=CC(=O)[O-])/C(=O)[O-])C(=O)[O-],
,,,TRA:B:867,valid,,,,,C(/C(=CC(=O)[O-])/C(=O)[O-])C(=O)[O-],
1.1.1.41,,,,,,,,,
,Family. Representative Entry is ,5YVT,,,,,,,
,,,NAI:A:402,valid,Kd,=,109,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,Kd,=,109,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,6L59,,,,,,,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:B:403,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,5GRF,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5GRI,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6L57,,,,,,,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ATP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.2.1.2,,,,,,,,,
,Family. Representative Entry is ,4XZ9,,,,,,,
,,,ACT:E:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:304,invalid,,,,,CC(=O)[O-],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,PDO:B:301,invalid,,,,,C(CO)CO,
,,,PDO:C:301,invalid,,,,,C(CO)CO,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,G3P:C:302,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:302,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,3S1U,,,,,,,
,,,CL:C:224,invalid,,,,,[Cl-],
,,,E4P:A:224,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:B:224,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:C:225,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:D:224,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,,E4P:E:224,valid,,,,,C([C@H]([C@H](C=O)O)O)OP(=O)(O)O,
,,3S1W,,,,,,,
,,,FLC:A:225,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:225,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:225,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:225,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:225,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:224,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:224,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:224,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:224,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:224,invalid,,,,,C(C(CO)O)O,
1.5.99.8,,,,,,,,,
,Family. Representative Entry is ,4NMC,,,,,,,
,,,K:B:2004,Part of Protein,,,,,[K+],
,,,K:A:2003,Part of Protein,,,,,[K+],
,,,PG4:A:2002,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2003,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2002,invalid,,,,,C(COCCOCCOCCO)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,C15:B:2005,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)O,
,,,2OP:B:2006,valid,,,,,C[C@@H](C(=O)O)O,
,,4NMF,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:B:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:B:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,P5F:A:1101,invalid,,,,,CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,P5F:B:1101,invalid,,,,,CC1=CC2=[N](C3=C(C(=O)NC(=O)N3)[N](=C2C=C1C)C=CC=NCC(=O)O)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2L3:B:1102,valid,,,,,C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O,
,,,2L3:A:1102,valid,,,,,C[C@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O,
,,,2LB:B:1103,valid,,,,,C[C@@]1(CC(=O)c2ccccc2C1=O)S(=O)(=O)O,
,,4NM9,,,,,,,
,,,EDO:B:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:B:2007,invalid,,,,,C(CO)O,
,,,EDO:B:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2009,invalid,,,,,C(CO)O,
,,,EDO:B:2011,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:B:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:B:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4NMA,,,,,,,
,,,EDO:B:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:B:2007,invalid,,,,,C(CO)O,
,,,EDO:B:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2009,invalid,,,,,C(CO)O,
,,,EDO:B:2011,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:B:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:B:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,TFB:A:2002,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:B:2002,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4NMB,,,,,,,
,,,MES:B:2003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:2003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,2OP:B:2002,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:A:2002,valid,,,,,C[C@@H](C(=O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4NMD,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1108,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:B:1106,invalid,,,,,C(CO)O,
,,,EDO:B:1107,invalid,,,,,C(CO)O,
,,,EDO:B:1108,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,FDA:A:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:1101,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2G37,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:373,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:374,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:371,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:372,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,1TIW,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TFB:A:2002,valid,Ki,=,0.2,mM,C1C[C@H](OC1)C(=O)O,
,,3E2Q,,,,,,,
,,,1PE:A:2002,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HYP:A:1,valid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,4JNZ,,,,,,,
,,,TFB:A:2002,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,1PE:A:2003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2004,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,3E2S,,,,,,,
,,,1PE:A:2002,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1TJ2,,,,,,,
,,,ACT:A:2002,valid,Ki,=,30,mM,CC(=O)[O-],
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2FZM,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO2:A:2002,valid,,,,,O=S=O,
,,4JNY,,,,,,,
,,,TFB:A:2002,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,1PE:A:2003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2004,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,1TJ0,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2OP:A:2002,valid,Ki,=,1,mM,C[C@@H](C(=O)O)O,
,,1TJ1,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2OP:A:2002,valid,Ki,=,1,mM,C[C@@H](C(=O)O)O,
,,3E2R,,,,,,,
,,,1PE:A:2003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:2503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CIT:A:2502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TFB:A:2002,valid,Ki,=,1.5,mM,C1C[C@H](OC1)C(=O)O,
,Family. Representative Entry is ,4O8A,,,,,,,
,,,PG4:A:2003,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:2004,invalid,,,,,C(COCCOCCOCCO)O,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2OP:A:2002,valid,,,,,C[C@@H](C(=O)O)O,
,Family. Representative Entry is ,4H6Q,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,TFB:A:2002,valid,Ki,=,38,mM,C1C[C@H](OC1)C(=O)O,
,,,TFB:C:2002,valid,Ki,=,38,mM,C1C[C@H](OC1)C(=O)O,
,,4H6R,,,,,,,
,,,ACT:C:2002,invalid,,,,,CC(=O)[O-],
,,,FDA:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.2.1.40,,,,,,,,,
,Family. Representative Entry is ,6GSZ,,,,,,,
,,,ACT:A:965,invalid,,,,,CC(=O)[O-],
,,,ACT:A:962,invalid,,,,,CC(=O)[O-],
,,,ACT:A:966,invalid,,,,,CC(=O)[O-],
,,,ACT:A:964,invalid,,,,,CC(=O)[O-],
,,,ACT:A:961,invalid,,,,,CC(=O)[O-],
,,,ACT:A:963,invalid,,,,,CC(=O)[O-],
,,,PGE:A:956,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:959,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:953,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:950,invalid,,,,,C(COCCOCCO)O,
,,,CA:A:947,invalid,,,,,[Ca+2],
,,,CA:A:931,Part of Protein,,,,,[Ca+2],
,,,CA:A:929,Part of Protein,,,,,[Ca+2],
,,,CA:A:936,Part of Protein,,,,,[Ca+2],
,,,CA:A:930,Part of Protein,,,,,[Ca+2],
,,,CA:A:945,invalid,,,,,[Ca+2],
,,,CA:A:933,Part of Protein,,,,,[Ca+2],
,,,CA:A:943,Part of Protein,,,,,[Ca+2],
,,,CA:A:946,Part of Protein,,,,,[Ca+2],
,,,CA:A:939,invalid,,,,,[Ca+2],
,,,CA:A:940,Part of Protein,,,,,[Ca+2],
,,,CA:A:942,Part of Protein,,,,,[Ca+2],
,,,CA:A:927,Part of Protein,,,,,[Ca+2],
,,,CA:A:941,Part of Protein,,,,,[Ca+2],
,,,CA:A:934,invalid,,,,,[Ca+2],
,,,CA:A:937,Part of Protein,,,,,[Ca+2],
,,,CA:A:932,invalid,,,,,[Ca+2],
,,,CA:A:938,Part of Protein,,,,,[Ca+2],
,,,CA:A:944,invalid,,,,,[Ca+2],
,,,CA:A:928,Part of Protein,,,,,[Ca+2],
,,,CA:A:935,Part of Protein,,,,,[Ca+2],
,,,1PE:A:955,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:954,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:948,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PG0:A:957,invalid,,,,,COCCOCCO,
,,,PG0:A:951,invalid,,,,,COCCOCCO,
,,,PG0:A:952,invalid,,,,,COCCOCCO,
,,,BGC:A:968,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MAN:F:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:7,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:F:6,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:6,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:F:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MPO:A:967,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,BMA:F:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:920,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PG4:A:949,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,EDO:A:958,invalid,,,,,C(CO)O,
,,,DTU:A:960,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,Family. Representative Entry is ,3W5N,,,,,,,
,,,MPD:A:1209,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1208,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1207,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,RAM:A:1202,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:1204,invalid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:1203,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:1206,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:1205,invalid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:1201,Part of Protein,,,,,[Ca+2],
,,,NA:A:1211,Part of Protein,,,,,[Na+],
,,,NA:A:1210,Part of Protein,,,,,[Na+],
,,,NA:A:1212,Part of Protein,,,,,[Na+],
4.2.1.20,,,,,,,,,
,Family. Representative Entry is ,1UJP,,,,,,,
,,,CIT:A:1001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1WXJ,,,,,,,
,,,IPL:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6AMI,,,,,,,
,,,TRP:C:401,valid,Kd,=,1400,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:401,valid,Kd,=,1400,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:401,valid,Kd,=,1400,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:401,valid,Kd,=,1400,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5DW3,,,,,,,
,,,TRP:D:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,PO4:C:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,6AM9,,,,,,,
,,,PLS:A:403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,0JO:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,0JO:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,5T6M,,,,,,,
,,,78U:D:403,valid,,,,,C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N,
,,,78U:C:402,valid,,,,,C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N,
,,,78U:B:402,valid,,,,,C[C@@H](c1c[nH]c2c1cccc2)[C@@H](C(=O)O)N,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,6AMH,,,,,,,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,PLS:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,5DW0,,,,,,,
,,,PLS:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,PLS:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5IXJ,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,THR:D:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:A:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:B:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,THR:C:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,6CUT,,,,,,,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,FEJ:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O,
,,,FEJ:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O,
,,,FEJ:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O,
,,,FEJ:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O,
,Family. Representative Entry is ,1CX9,,,,,,,
,,,NA:B:1162,Part of Protein,,,,,[Na+],
,,,NHP:A:270,valid,ic50,=,178,nM,c1ccc(c(c1)N)SCCCCP(=O)(O)O,
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1TJP,,,,,,,
,,,HPF:A:1001,valid,,,,,c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,PLP:B:1002,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1QOQ,,,,,,,
,,,IGP:A:300,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,PLP:B:500,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4Y6G,,,,,,,
,,,F6F:A:301,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:B:402,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,1K8Y,,,,,,,
,,,13P:A:701,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NA:B:703,Part of Protein,,,,,[Na+],
,,,PLP:B:702,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CLM,,,,,,,
,,,F6F:A:1268,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,NA:B:1395,Part of Protein,,,,,[Na+],
,,,PLS:B:1394,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,2TYS,,,,,,,
,,,NA:B:400,Part of Protein,,,,,[Na+],
,,,PLT:B:399,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O,
,,1KFC,,,,,,,
,,,IPL:A:674,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:676,Part of Protein,,,,,[Na+],
,,,PLP:B:675,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1C8V,,,,,,,
,,,HE1:A:270,valid,ic50,=,472,nM,c1ccc(c(c1)O)SCCC=CP(=O)(O)O,
,,,NA:B:1169,Part of Protein,,,,,[Na+],
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4KKX,,,,,,,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,F6F:A:301,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,PGE:B:413,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:414,invalid,,,,,C(COCCOCCO)O,
,,,AQ3:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CNc2ccccc2O)C(=O)O)O,
,,2CLL,,,,,,,
,,,F9F:A:1268,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,NA:B:1396,Part of Protein,,,,,[Na+],
,,,PLS:B:1395,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,3CEP,,,,,,,
,,,CS:B:398,invalid,,,,,[Cs+],
,,,CS:B:399,invalid,,,,,[Cs+],
,,,CS:B:400,invalid,,,,,[Cs+],
,,,G3P IDM:A:269,valid,,,,,P(=O)(OCC(O)C(O)N1c2c(cccc2)CC1)([O-])[O-],
,,,PLP MH6 IDM:B:401,valid,,,,,P(=O)(OCC=1C(=CNC(C(=O)[O-])CN2c3c(cccc3)CC2)C(O)=C(C)NC=1)([O-])[O-],
,,2TRS,,,,,,,
,,,IPL:A:273,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:400,Part of Protein,,,,,[Na+],
,,,PLS:B:398,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,1KFJ,,,,,,,
,,,NA:B:399,Part of Protein,,,,,[Na+],
,,,PLS:B:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,4HPX,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:410,invalid,,,,,C(COCCO)O,
,,,PEG:B:411,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:409,invalid,,,,,C(COCCO)O,
,,,F9F:A:301,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,BCN:B:407,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:405,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:406,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BZI:B:403,invalid,,,,,c1ccc2c(c1)[nH]cn2,
,,,BZI:B:402,invalid,,,,,c1ccc2c(c1)[nH]cn2,
,,,BZI:B:401,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,,0JO:B:404,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,,CS:B:413,invalid,,,,,[Cs+],
,,,CS:B:412,invalid,,,,,[Cs+],
,,1A5S,,,,,,,
,,,FIP:A:270,valid,Kd,=,0.35,uM,c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:2000,Part of Protein,,,,,[Na+],
,,,PLP SER:B:901,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])C)c(O)c(C)nc1)([O-])[O-],
,,2CLI,,,,,,,
,,,F9F:A:1269,valid,Kd,=,50,uM,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,NA:A:1268,Part of Protein,,,,,[Na+],
,,,PLP:B:1396,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5BW6,,,,,,,
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,F6F:A:301,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3PR2,,,,,,,
,,,7MN:B:2,valid,,,,,CC1=C(/C(=C[NH+]=C(/C[N@@]2CCc3c2cccc3)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,CS:B:1,invalid,,,,,[Cs+],
,,,CS:B:394,invalid,,,,,[Cs+],
,,,CS:B:395,invalid,,,,,[Cs+],
,,,F9F:A:1,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,1K8Z,,,,,,,
,,,IAG:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O,
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,PLP:B:502,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1CW2,,,,,,,
,,,HSP:A:270,valid,ic50,=,715,nM,c1ccc(c(c1)O)[S@](=O)CCCCP(=O)(O)O,
,,,NA:B:1274,Part of Protein,,,,,[Na+],
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1KFE,,,,,,,
,,,NA:B:555,Part of Protein,,,,,[Na+],
,,,PLS:B:550,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,2J9X,,,,,,,
,,,CS:B:1397,invalid,,,,,[Cs+],
,,,CS:B:1398,invalid,,,,,[Cs+],
,,,CS:B:1399,invalid,,,,,[Cs+],
,,,DMS:B:1400,invalid,,,,,CS(=O)C,
,,,DMS:B:1401,invalid,,,,,CS(=O)C,
,,,DMS:B:1402,invalid,,,,,CS(=O)C,
,,,G3P:A:1268,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,P1T:B:1396,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,1BEU,,,,,,,
,,,IPL:A:273,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O,
,,,K:B:400,Part of Protein,,,,,[K+],
,,,PLS:B:398,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,4HT3,,,,,,,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:423,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:B:420,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:422,invalid,,,,,[Cl-],
,,,CL:B:418,invalid,,,,,[Cl-],
,,,F9F:A:301,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,BCN:A:302,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:405,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:407,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:406,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,PGE:B:417,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:305,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,CS:B:411,invalid,,,,,[Cs+],
,,,CS:A:304,invalid,,,,,[Cs+],
,,,CS:B:412,invalid,,,,,[Cs+],
,,,PG5:A:306,invalid,,,,,COCCOCCOCCOC,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PEG:B:416,invalid,,,,,C(COCCO)O,
,,,PEG:B:415,invalid,,,,,C(COCCO)O,
,,2CLK,,,,,,,
,,,G3H:A:1268,valid,Kd,=,164,uM,C([C@H](C=O)O)OP(=O)(O)O,
,,,NA:B:1393,Part of Protein,,,,,[Na+],
,,,PLP:B:1392,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1A50,,,,,,,
,,,FIP:A:270,valid,Kd,=,0.35,uM,c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:2000,Part of Protein,,,,,[Na+],
,,,PLP:B:901,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CLH,,,,,,,
,,,F19:A:1268,valid,Kd,=,87.6,uM,c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O,
,,,NA:A:1267,Part of Protein,,,,,[Na+],
,,,PLP:B:1396,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1C29,,,,,,,
,,,HE1:A:270,valid,ic50,=,472,nM,c1ccc(c(c1)O)SCCC=CP(=O)(O)O,
,,,NA:B:1168,Part of Protein,,,,,[Na+],
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1QOP,,,,,,,
,,,IPL:A:300,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,PLP:B:500,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1K7E,,,,,,,
,,,IAG:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)O,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,PLP:B:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1FUY,,,,,,,
,,,FIP:A:269,valid,,,,,c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O,
,,,NA:B:400,Part of Protein,,,,,[Na+],
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1A5B,,,,,,,
,,,IGP:A:271,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,K:B:500,Part of Protein,,,,,[K+],
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2J9Y,,,,,,,
,,,FOO:B:1396,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=N)C(=O)O)O,
,,,NA:B:1397,Part of Protein,,,,,[Na+],
,,4ZQC,,,,,,,
,,,DMS:B:411,invalid,,,,,CS(=O)C,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:410,invalid,,,,,CS(=O)C,
,,,DMS:B:409,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:B:412,invalid,,,,,CS(=O)C,
,,,F6F:B:402,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:A:301,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:A:302,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,1KFB,,,,,,,
,,,IGP:A:550,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,PLP:B:555,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CLE,,,,,,,
,,,F6F:A:1268,valid,Kd,=,280,uM,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,NA:A:1263,Part of Protein,,,,,[Na+],
,,,PLP:B:1396,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CLO,,,,,,,
,,,F19:A:1268,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)NCCOP(=O)(O)O,
,,,NA:B:1393,Part of Protein,,,,,[Na+],
,,,PLS:B:1392,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,1WBJ,,,,,,,
,,,G3P:A:1268,valid,Kd,=,0.31,mM,C([C@H](COP(=O)(O)O)O)O,
,,,NA:B:1393,Part of Protein,,,,,[Na+],
,,,PLP:B:1392,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1K3U,,,,,,,
,,,IAD:A:801,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)N[C@@H](CC(=O)O)C(=O)O,
,,,NA:B:803,Part of Protein,,,,,[Na+],
,,,PLP:B:802,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2CLF,,,,,,,
,,,F6F:A:1269,valid,Kd,=,280,uM,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:B:1396,valid,Kd,=,280,uM,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,NA:B:1398,Part of Protein,,,,,[Na+],
,,,PLP:B:1397,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4HN4,,,,,,,
,,,CS:B:409,invalid,,,,,[Cs+],
,,,CS:B:408,invalid,,,,,[Cs+],
,,,F9F:A:301,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,BCN:B:407,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:405,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:406,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,0JO:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(=C)C(=O)O)O,
,,1UBS,,,,,,,
,,,NA:B:400,Part of Protein,,,,,[Na+],
,,,SER PLP:B:398,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])CO)c(O)c(C)nc1)([O-])[O-],
,,1K7F,,,,,,,
,,,IAV:A:401,valid,,,,,CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2,
,,,PLP:B:402,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2TSY,,,,,,,
,,,G3P:A:271,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,NA:B:400,Part of Protein,,,,,[Na+],
,,,PLS:B:398,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)C(=O)O)O,
,,4HPJ,,,,,,,
,,,F9F:A:301,valid,,,,,c1cc(ccc1OC(F)(F)F)S(=O)(=O)NCCOP(=O)(O)O,
,,,CL:B:411,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:B:412,invalid,,,,,[Cl-],
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,1D0:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(CNc2ccccc2O)/C(=O)O)O,
,,,BCN:B:402,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,CS:B:413,invalid,,,,,[Cs+],
,,,CS:B:414,invalid,,,,,[Cs+],
,,1C9D,,,,,,,
,,,HF1:A:270,valid,ic50,=,499,nM,c1cc(c(cc1F)SCCC=CP(=O)(O)O)O,
,,,NA:B:1191,Part of Protein,,,,,[Na+],
,,,PLP:B:900,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4WX2,,,,,,,
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,F6F:A:301,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:A:302,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,F6F:B:404,valid,,,,,c1cc(ccc1C(=O)NCCOP(=O)(O)O)OC(F)(F)F,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4QYS,,,,,,,
,,,PLR:B:501,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PLP SEP:A:501,valid,,,,,,
,Family. Representative Entry is ,6AM8,,,,,,,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,TRP:D:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,PLT:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O,
,,,PLT:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O,
,Family. Representative Entry is ,6CUZ,,,,,,,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:D:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FEV:D:403,valid,,,,,CC/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,FEV:A:403,valid,,,,,CC/C=C(C(=O)O)/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,Family. Representative Entry is ,5TCI,,,,,,,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:G:302,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:F:502,invalid,,,,,C(=O)O,
,,,FMT:F:503,invalid,,,,,C(=O)O,
,,,FMT:G:303,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:H:503,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:D:502,invalid,,,,,C(=O)O,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,FMT:H:502,invalid,,,,,C(=O)O,
,,,79V:F:501,valid,Kd,=,132,nM,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:D:501,valid,Kd,=,132,nM,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:H:501,valid,Kd,=,132,nM,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:B:501,valid,Kd,=,132,nM,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,5TCJ,,,,,,,
,,,FMT:H:504,invalid,,,,,C(=O)O,
,,,FMT:H:507,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:F:510,invalid,,,,,C(=O)O,
,,,FMT:F:507,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:B:509,invalid,,,,,C(=O)O,
,,,FMT:G:304,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:H:505,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:G:302,invalid,,,,,C(=O)O,
,,,FMT:F:509,invalid,,,,,C(=O)O,
,,,FMT:G:303,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:F:506,invalid,,,,,C(=O)O,
,,,FMT:H:508,invalid,,,,,C(=O)O,
,,,FMT:F:508,invalid,,,,,C(=O)O,
,,,FMT:H:506,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,CS:B:502,invalid,,,,,[Cs+],
,,,CS:B:503,invalid,,,,,[Cs+],
,,,CS:F:503,invalid,,,,,[Cs+],
,,,CS:D:502,invalid,,,,,[Cs+],
,,,CS:F:504,invalid,,,,,[Cs+],
,,,CS:D:503,invalid,,,,,[Cs+],
,,,CS:B:504,invalid,,,,,[Cs+],
,,,CS:F:502,invalid,,,,,[Cs+],
,,,CS:H:502,invalid,,,,,[Cs+],
,,,P1T:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:H:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,79V:F:505,valid,,,,,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:H:503,valid,,,,,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:B:505,valid,,,,,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,79V:D:504,valid,,,,,c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5TCH,,,,,,,
,,,MLI:H:501,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:501,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:501,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:501,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FMT:H:504,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:G:302,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:F:502,invalid,,,,,C(=O)O,
,,,FMT:F:503,invalid,,,,,C(=O)O,
,,,FMT:G:303,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:E:303,invalid,,,,,C(=O)O,
,,,FMT:H:503,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:E:302,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:D:502,invalid,,,,,C(=O)O,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,FMT:H:505,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:H:502,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,6USA,,,,,,,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:F:507,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:F:503,invalid,,,,,C(=O)O,
,,,FMT:F:504,invalid,,,,,C(=O)O,
,,,FMT:H:507,invalid,,,,,C(=O)O,
,,,FMT:G:301,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:F:509,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:H:506,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:H:508,invalid,,,,,C(=O)O,
,,,FMT:H:504,invalid,,,,,C(=O)O,
,,,FMT:F:508,invalid,,,,,C(=O)O,
,,,FMT:E:301,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:H:505,invalid,,,,,C(=O)O,
,,,FMT:H:503,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:F:505,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:E:302,invalid,,,,,C(=O)O,
,,,PZJ:D:501,valid,,,,,c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl,
,,,PZJ:F:501,valid,,,,,c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl,
,,,PZJ:H:501,valid,,,,,c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl,
,,,PZJ:B:501,valid,,,,,c1ccc(c(c1)N2CCN(CC2)[C@H]3CS(=O)(=O)C[C@@H]3O)Cl,
,,,K:B:508,Part of Protein,,,,,[K+],
,,,K:D:512,Part of Protein,,,,,[K+],
,,,K:F:512,Part of Protein,,,,,[K+],
,,,K:H:509,invalid,,,,,[K+],
,,,K:F:510,Part of Protein,,,,,[K+],
,,,K:F:513,Part of Protein,,,,,[K+],
,,,K:G:302,invalid,,,,,[K+],
,,,K:D:511,invalid,,,,,[K+],
,,,K:D:510,invalid,,,,,[K+],
,,,K:F:511,Part of Protein,,,,,[K+],
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:D:515,invalid,,,,,C(CO)O,
,,,EDO:D:514,invalid,,,,,C(CO)O,
,,,EDO:G:304,invalid,,,,,C(CO)O,
,,,EDO:F:517,invalid,,,,,C(CO)O,
,,,EDO:F:516,invalid,,,,,C(CO)O,
,,,EDO:F:515,invalid,,,,,C(CO)O,
,,,EDO:F:518,invalid,,,,,C(CO)O,
,,,P1T:D:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:H:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:F:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,MLI:C:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:514,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:513,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PEG:C:301,invalid,,,,,C(COCCO)O,
,,,ACT:D:505,invalid,,,,,CC(=O)[O-],
,,,ACT:D:509,invalid,,,,,CC(=O)[O-],
,,,ACT:F:506,invalid,,,,,CC(=O)[O-],
,,,NA:H:512,Part of Protein,,,,,[Na+],
,,,NA:H:511,Part of Protein,,,,,[Na+],
,,,SO4:H:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6U6C,,,,,,,
,,,FMT:B:512,invalid,,,,,C(=O)O,
,,,FMT:B:519,invalid,,,,,C(=O)O,
,,,FMT:F:811,invalid,,,,,C(=O)O,
,,,FMT:G:305,invalid,,,,,C(=O)O,
,,,FMT:H:510,invalid,,,,,C(=O)O,
,,,FMT:G:308,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:F:820,invalid,,,,,C(=O)O,
,,,FMT:C:305,invalid,,,,,C(=O)O,
,,,FMT:D:521,invalid,,,,,C(=O)O,
,,,FMT:B:523,invalid,,,,,C(=O)O,
,,,FMT:H:526,invalid,,,,,C(=O)O,
,,,FMT:F:823,invalid,,,,,C(=O)O,
,,,FMT:D:509,invalid,,,,,C(=O)O,
,,,FMT:D:502,invalid,,,,,C(=O)O,
,,,FMT:E:303,invalid,,,,,C(=O)O,
,,,FMT:B:514,invalid,,,,,C(=O)O,
,,,FMT:H:525,invalid,,,,,C(=O)O,
,,,FMT:G:302,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:G:306,invalid,,,,,C(=O)O,
,,,FMT:B:513,invalid,,,,,C(=O)O,
,,,FMT:H:519,invalid,,,,,C(=O)O,
,,,FMT:F:806,invalid,,,,,C(=O)O,
,,,FMT:B:518,invalid,,,,,C(=O)O,
,,,FMT:A:308,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:C:304,invalid,,,,,C(=O)O,
,,,FMT:D:510,invalid,,,,,C(=O)O,
,,,FMT:D:514,invalid,,,,,C(=O)O,
,,,FMT:F:828,invalid,,,,,C(=O)O,
,,,FMT:H:503,invalid,,,,,C(=O)O,
,,,FMT:H:515,invalid,,,,,C(=O)O,
,,,FMT:G:303,invalid,,,,,C(=O)O,
,,,FMT:F:824,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:B:515,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:E:304,invalid,,,,,C(=O)O,
,,,FMT:F:816,invalid,,,,,C(=O)O,
,,,FMT:D:515,invalid,,,,,C(=O)O,
,,,FMT:H:516,invalid,,,,,C(=O)O,
,,,FMT:H:509,invalid,,,,,C(=O)O,
,,,FMT:H:524,invalid,,,,,C(=O)O,
,,,FMT:D:516,invalid,,,,,C(=O)O,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:H:514,invalid,,,,,C(=O)O,
,,,FMT:A:309,invalid,,,,,C(=O)O,
,,,FMT:B:524,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:H:518,invalid,,,,,C(=O)O,
,,,FMT:F:810,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:B:531,invalid,,,,,C(=O)O,
,,,FMT:H:529,invalid,,,,,C(=O)O,
,,,FMT:H:523,invalid,,,,,C(=O)O,
,,,FMT:H:507,invalid,,,,,C(=O)O,
,,,FMT:G:301,invalid,,,,,C(=O)O,
,,,FMT:G:307,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:F:817,invalid,,,,,C(=O)O,
,,,FMT:G:304,invalid,,,,,C(=O)O,
,,,FMT:D:512,invalid,,,,,C(=O)O,
,,,FMT:B:520,invalid,,,,,C(=O)O,
,,,FMT:C:309,invalid,,,,,C(=O)O,
,,,FMT:B:517,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:D:517,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:F:807,invalid,,,,,C(=O)O,
,,,FMT:H:501,invalid,,,,,C(=O)O,
,,,FMT:H:508,invalid,,,,,C(=O)O,
,,,FMT:H:511,invalid,,,,,C(=O)O,
,,,FMT:F:821,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:F:815,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:H:527,invalid,,,,,C(=O)O,
,,,FMT:H:522,invalid,,,,,C(=O)O,
,,,FMT:B:521,invalid,,,,,C(=O)O,
,,,FMT:F:804,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,FMT:B:528,invalid,,,,,C(=O)O,
,,,FMT:H:528,invalid,,,,,C(=O)O,
,,,FMT:F:813,invalid,,,,,C(=O)O,
,,,FMT:F:803,invalid,,,,,C(=O)O,
,,,FMT:D:513,invalid,,,,,C(=O)O,
,,,FMT:F:814,invalid,,,,,C(=O)O,
,,,FMT:B:522,invalid,,,,,C(=O)O,
,,,FMT:H:517,invalid,,,,,C(=O)O,
,,,EDO:G:312,invalid,,,,,C(CO)O,
,,,EDO:B:529,invalid,,,,,C(CO)O,
,,,EDO:B:526,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:F:822,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:H:505,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:H:512,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:F:819,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:D:520,invalid,,,,,C(CO)O,
,,,EDO:G:310,invalid,,,,,C(CO)O,
,,,EDO:F:812,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:H:520,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:H:533,invalid,,,,,C(CO)O,
,,,EDO:H:521,invalid,,,,,C(CO)O,
,,,K:D:518,Part of Protein,,,,,[K+],
,,,K:F:826,Part of Protein,,,,,[K+],
,,,K:H:531,Part of Protein,,,,,[K+],
,,,K:D:519,Part of Protein,,,,,[K+],
,,,K:D:522,invalid,,,,,[K+],
,,,K:C:308,Part of Protein,,,,,[K+],
,,,K:B:525,Part of Protein,,,,,[K+],
,,,K:G:313,Part of Protein,,,,,[K+],
,,,EPE:H:532,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:530,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:830,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:527,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:F:809,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:801,invalid,,,,,C(COCCOCCO)O,
,,,P1T:H:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:F:805,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:D:505,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:F:829,invalid,,,,,C(COCCO)O,
,,,PEG:G:309,invalid,,,,,C(COCCO)O,
,,,PEG:H:513,invalid,,,,,C(COCCO)O,
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,ACT:H:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:310,invalid,,,,,CC(=O)[O-],
,,,ACT:F:818,invalid,,,,,CC(=O)[O-],
,,,ACT:F:808,invalid,,,,,CC(=O)[O-],
,,,PZV:F:802,valid,,,,,CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F,
,,,PZV:B:501,valid,,,,,CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F,
,,,PZV:D:501,valid,,,,,CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F,
,,,PZV:H:502,valid,,,,,CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F,
,,,MLI:E:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:311,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:311,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:530,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:827,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:307,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ALA:E:301,invalid,,,,,C[C@@H](C(=O)O)N,
,,,NA:F:825,Part of Protein,,,,,[Na+],
,,5TCG,,,,,,,
,,,FMT:H:504,invalid,,,,,C(=O)O,
,,,FMT:H:507,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:C:302,invalid,,,,,C(=O)O,
,,,FMT:F:507,invalid,,,,,C(=O)O,
,,,FMT:H:503,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:G:304,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:H:505,invalid,,,,,C(=O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:G:302,invalid,,,,,C(=O)O,
,,,FMT:G:303,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:F:506,invalid,,,,,C(=O)O,
,,,FMT:H:508,invalid,,,,,C(=O)O,
,,,FMT:F:505,invalid,,,,,C(=O)O,
,,,FMT:H:509,invalid,,,,,C(=O)O,
,,,FMT:F:508,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:H:506,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,CS:B:502,invalid,,,,,[Cs+],
,,,CS:B:503,invalid,,,,,[Cs+],
,,,CS:F:503,invalid,,,,,[Cs+],
,,,CS:D:504,invalid,,,,,[Cs+],
,,,CS:D:502,invalid,,,,,[Cs+],
,,,CS:F:504,invalid,,,,,[Cs+],
,,,CS:D:503,invalid,,,,,[Cs+],
,,,CS:F:502,invalid,,,,,[Cs+],
,,,CS:H:502,invalid,,,,,[Cs+],
,,,P1T:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,P1T:H:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
2.1.1.266,,,,,,,,,
,Family. Representative Entry is ,6QE5,,,,,,,
,,,SAH:A:301,valid,Kd,=,7.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,Kd,=,7.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4BLW,,,,,,,
,,,EDO:B:1283,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:B:1285,invalid,,,,,C(CO)O,
,,,EDO:B:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1292,invalid,,,,,C(CO)O,
,,,EDO:B:1288,invalid,,,,,C(CO)O,
,,,EDO:B:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1293,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,NA:A:1294,Part of Protein,,,,,[Na+],
,,,NA:B:1287,Part of Protein,,,,,[Na+],
,,,SAH:A:1282,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:B:1282,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1284,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1283,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:1281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1280,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6QDX,,,,,,,
,,,HY8:C:301,valid,Kd,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N,
,,,HY8:B:301,valid,Kd,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N,
,,,HY8:A:301,valid,Kd,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N,
,,,HY8:D:301,valid,Kd,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@@H](O3)CN(CCCNc4c5c(ncn4)n(cn5)[C@@H]6[C@@H]([C@@H]([C@@H](O6)CO)O)O)CC[C@@H](C(=O)O)N)O)O)N,
,,6QE0,,,,,,,
,,,HZ2:A:301,valid,Kd,=,25,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC[C@@H](C(=O)O)N)CCNc4c5c(ncn4)n(cn5)[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)O)O)N,
,,4BLV,,,,,,,
,,,EDO:B:1283,invalid,,,,,C(CO)O,
,,,EDO:B:1296,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1284,invalid,,,,,C(CO)O,
,,,EDO:B:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:B:1293,invalid,,,,,C(CO)O,
,,,EDO:B:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1296,invalid,,,,,C(CO)O,
,,,EDO:B:1288,invalid,,,,,C(CO)O,
,,,EDO:B:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1293,invalid,,,,,C(CO)O,
,,,EDO:B:1295,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:B:1294,invalid,,,,,C(CO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,EDO:B:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1295,invalid,,,,,C(CO)O,
,,,EDO:B:1292,invalid,,,,,C(CO)O,
,,,EDO:B:1289,invalid,,,,,C(CO)O,
,,,EDO:B:1284,invalid,,,,,C(CO)O,
,,,EDO:A:1285,invalid,,,,,C(CO)O,
,,,EDO:A:1292,invalid,,,,,C(CO)O,
,,,EDO:A:1294,invalid,,,,,C(CO)O,
,,,EDO:B:1290,invalid,,,,,C(CO)O,
,,,SAM:A:1281,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1281,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PEG:B:1282,invalid,,,,,C(COCCO)O,
,,,PEG:A:1283,invalid,,,,,C(COCCO)O,
,,,GOL:A:1282,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1298,invalid,,,,,[O-]S(=O)(=O)[O-],
1.3.99.11,,,,,,,,,
,Family. Representative Entry is ,1UUO,,,,,,,
,,,BRF:A:1397,valid,ic50,=,6,nM,Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4F)F)C(=O)O,
,,,FMN:A:1398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:1401,invalid,,,,,[Na+],
,,,NI:A:1400,Part of Protein,,,,,[Ni+2],
,,,ORO:A:1399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,4ORI,,,,,,,
,,,2V6:A:502,valid,ic50,=,0.088,uM,Cc1cc(n2c(n1)nc(n2)C(F)(F)F)Nc3cc(c(c(c3)F)C(F)(F)F)F,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:501,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,1UUM,,,,,,,
,,,AFI:A:400,valid,ic50,=,698,nM,c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O,
,,,AFI:B:400,valid,ic50,=,698,nM,c1ccc2c(c1)C(=C(C(=C3CCC(CC3)c4ccc(cc4)Cl)C2=O)O)O,
,,,BOG:A:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:401,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FMN:A:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:398,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ORO:A:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,Family. Representative Entry is ,5XFV,,,,,,,
,,,MLI:A:403,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:404,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:404,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:405,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:403,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:403,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:404,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FMN:D:401,valid,Kd,=,0.000000012,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,Kd,=,0.000000012,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,Kd,=,0.000000012,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,Kd,=,0.000000012,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2B4G,,,,,,,
,,,BR:A:1411,invalid,,,,,[Br-],
,,,BR:A:1412,invalid,,,,,[Br-],
,,,BR:A:1414,invalid,,,,,[Br-],
,,,BR:A:1415,invalid,,,,,[Br-],
,,,BR:B:1413,invalid,,,,,[Br-],
,,,BR:B:2410,invalid,,,,,[Br-],
,,,BR:C:3410,invalid,,,,,[Br-],
,,,BR:C:3411,invalid,,,,,[Br-],
,,,BR:C:4410,invalid,,,,,[Br-],
,,,BR:D:4411,invalid,,,,,[Br-],
,,,BR:D:4412,invalid,,,,,[Br-],
,,,FMN:A:1400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:3400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4401,invalid,,,,,C(C(CO)O)O,
,,,ORO:A:1399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:B:2399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:C:3399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ORO:D:4399,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
3.4.21.27,,,,,,,,,
,Family. Representative Entry is ,5WB6,,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,9ZM:A:301,valid,Ki,=,0.02,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CCc3c(ccc(n3)C[C@@H](c4[nH]cc2n4)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl)F,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TKU,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,7DK:A:301,valid,Ki,=,0.16,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CCCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,4NA8,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,1T6:A:301,valid,Ki,=,1.5,nM,[H]/N=C(/c1ccc2c(c1)[C@@](C[C@H](N2)c3cccc(c3)c4ccc(cc4C(=O)O)C(=O)N)(C)c5ccccc5)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5Q0H,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9F1:A:301,valid,Ki,=,12,nM,Cc1cc(c(c(c1)F)C(=O)N[C@H]2C/C=C/[C@@H](CC(=O)Nc3cc(ccc3-c4c([nH]c2n4)Cl)NC(=O)OC)C)F,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,5TKT,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,7DS:A:301,valid,Ki,=,3.2,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,4CRG,,,,,,,
,,,GOL:A:1489,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1496,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1497,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J4X:A:1493,valid,,,,,[H]/N=C(c1ccc2cc(cc(c2c1)Nc3ncccn3)C(=O)Nc4ccccc4)/N,
,,5EXL,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,5SS:A:301,valid,Ki,=,3.7,nM,c1ccc(cc1)C[C@@H](c2cc(ccn2)c3ccc4c(c3)c(n[nH]4)O)NC(=O)C5CCC(CC5)CN,
,,6TS5,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,NW2:A:301,valid,ic50,=,0.003,uM,CC(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)CCOc4c(cccc4OC)C(=O)O,
,,6VLU,,,,,,,
,,,R2Y:A:702,valid,Ki,=,149.1,nM,CC(C)C[C@H](C(=O)N1CC(C[C@H]1C(=O)NCc2ccc3c(c2)ccnc3N)(F)F)NC4CCCCC4,
,,,CIT:A:701,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5E2O,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,5JM:A:301,valid,Ki,=,2,nM,c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)C(=O)O)NC(=O)/C=C/c3cc(ccc3n4cnnn4)Cl,
,,4CRB,,,,,,,
,,,GOL:A:1484,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1483,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1489,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7P0:A:1485,valid,Ki,=,0.027,uM,c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O,
,,6TS6,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,NW5:A:307,valid,ic50,=,0.004,uM,CC(C)(C#N)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)COc4ccccc4CC(=O)O,
,,5TKS,,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,7DL:A:301,valid,Ki,=,68,nM,COC(=O)Nc1ccc-2c(c1)CCCCCCC[C@@H](c3[nH]c(c2n3)Cl)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QTY,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QLJ:A:301,valid,Ki,=,2.5,nM,CCOC(=O)[C@H]1CCCC[C@@H](c2cc(ccn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,5Q0E,,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,9FD:A:301,valid,Ki,=,0.69,nM,C[C@H]1CCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3NC(=O)C1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CRE,,,,,,,
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1478,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1477,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MVN:A:1476,valid,,,,,CC1=CC(=O)Nc2c1cc(cc2)Cl,
,,4CRA,,,,,,,
,,,SO4:A:1492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XJ8:A:1491,valid,Ki,=,0.06,uM,c1ccc(cc1)C[C@@H](C(=O)NCc2cccc3c2ccc(n3)N)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O,
,,,GOL:A:1489,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,1ZHR,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,5E2P,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7P0:A:301,valid,Ki,=,1.6,nM,c1ccc(cc1)C[C@@H](C(=O)NCCc2cc(ccc2n3cnnn3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O,
,,3BG8,,,,,,,
,,,BEN:A:613,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,INH:A:612,invalid,,,,,C[C@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)Nc2ccccc2,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X6P,,,,,,,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,3YU:A:302,valid,Ki,=,5,nM,c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl,
,,,3YU:B:302,valid,Ki,=,5,nM,c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc4c(c3)[nH]nc4N)NC(=O)/C=C/c5cc(ccc5n6cnnn6)Cl,
,,5Q0D,,,,,,,
,,,9EY:A:301,valid,Ki,=,1,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CCCC[C@@H](c3[nH]cc2n3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X6O,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,3Y4:A:301,valid,Ki,=,1.9,nM,COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)[C@H](Cc3ccccc3)NC(=O)CCc4cc(ccc4n5cnnn5)Cl)Cl,
,,5EXN,,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5SU:A:302,valid,Ki,=,23,nM,COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,4CR9,,,,,,,
,,,SO4:A:1492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1491,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1490,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OTW:A:1489,valid,Ki,=,80,uM,Cc1cc(nc2c1cc(cc2)N)N,
,,6TS4,,,,,,,
,,,J7B:A:310,valid,ic50,=,2.8,uM,c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:308,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:309,invalid,,,,,[Na+],
,,6USY,,,,,,,
,,,QGS:A:301,valid,Ki,=,0.0004,uM,CC(C)c1cc(cc(c1)[C@@H](Cn2ccc3c2c(ccc3)C(=O)O)O)c4ccc5c(c4)[C@@H](CO5)N,
,,4CRC,,,,,,,
,,,OTM:A:1245,valid,Ki,=,0.0019,uM,c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,,SO4:A:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QCL,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,BUY:A:301,valid,Ki,=,11,nM,c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,1ZHM,,,,,,,
,,,BEN:A:1001,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GSH:A:1002,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,5EXM,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5ST:A:301,valid,Ki,=,6.3,nM,COC(=O)Nc1ccc(cc1)c2ccnc(c2)[C@H](Cc3ccccc3)NC(=O)C4CCC(CC4)CN,
,,4TY7,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,39F:A:301,valid,Ki,=,0.3,nM,c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)n[nH]c4N)Cl)NC(=O)C5CCC(CC5)CN,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QTT,,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,QEY:A:301,valid,Ki,=,3.4,nM,C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)NC(=O)c4cnn(c4N)c5cccc(c5F)Cl,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6W50,,,,,,,
,,,SWP:A:301,valid,Ki,=,0.3,nM,C[C@@H]1CCC[C@@H](c2cc(ccn2)-c3ccc(cc3NC1=O)NC(=O)OC)N4CCC(=CC4=O)c5c(ccc(c5F)Cl)F,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QQP,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,NR7:A:301,valid,Ki,=,5.3,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6C0S,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EEJ:A:301,valid,Ki,=,89,nM,CC(=O)N1CCC[C@@H](C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,4CRF,,,,,,,
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1443,invalid,,,,,[Cl-],
,,,GOL:A:1436,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1437,invalid,,,,,C(C(CO)O)O,
,,,R9B:A:1438,valid,Ki,=,0.0005,uM,c1ccc(cc1)C[C@@H](C(=O)NCC2=CC(=O)Nc3c2cc(cc3)Cl)NC(=O)c4ccc5c(c4)C(=CC(=O)N5)O,
,,5QCN,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BVM:A:301,valid,Ki,=,6,nM,CCOC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl,
,,6VLV,,,,,,,
,,,FLC:A:702,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:701,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,R3A:A:703,valid,Ki,=,5.33,nM,[H]/N=C(/N)Nc1c2cc(ccc2c(cn1)Cl)S(=O)(=O)N[C@H](C(C)C)C(=O)N3CCOCC3,
,,5QTV,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QLS:A:301,valid,Ki,=,1.1,nM,COC(=O)Nc1ccc-2c(c1)N[C@H](CCCC[C@@H](c3[nH]c2cn3)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)C(F)(F)F,
,,4X6M,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3Y3:A:301,valid,Ki,=,5.8,nM,c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5CN)Cl,
,,5QTW,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QLM:A:301,valid,Ki,=,0.46,nM,COC(=O)[C@H]1CCCC[C@@H](c2[nH]c(cn2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,4CR5,,,,,,,
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1491,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1496,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1490,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0TU:A:1489,valid,Ki,=,70,uM,c1cc2c(cc1Cl)C=CC(=O)N2,
,,4CRD,,,,,,,
,,,OTJ:A:1244,valid,Ki,=,0.08,uM,COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CCc3cc(ccc3N4C=NNN4)Cl)Cl,
,,,SO4:A:1247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1245,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QCM,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BVJ:A:301,valid,Ki,=,110,nM,COC(=O)Nc1ccc(cc1)NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(ccc(c4F)Cl)n5cnnn5,
,Family. Representative Entry is ,5Q0F,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,9FA:A:301,valid,Ki,=,0.13,nM,C[C@@H]1CC(=O)Nc2cc(ccc2-c3c[nH]c(n3)[C@H](C/C=C1)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl)NC(=O)OC,
,,5QTX,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QLD:A:301,valid,Ki,=,0.22,nM,CCOC(=O)[C@H]1CCCC[C@@H](c2[nH]cc(n2)-c3ccc(cc3N1)NC(=O)OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl,
,,5QQO,,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NRJ:A:301,valid,Ki,=,17,nM,COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5)Cl,
,,4TY6,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,39D:A:301,valid,Ki,=,30,nM,c1ccc(cc1)C[C@@H](c2[nH]cc(n2)c3ccc(cc3)C(=O)N)NC(=O)C4CCC(CC4)CN,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X6N,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3Y5:A:301,valid,Ki,=,1.5,nM,c1ccc(cc1)C[C@@H](c2[nH]c(c(n2)c3ccc4c(c3)[nH]nc4N)Cl)NC(=O)NCc5cc(ccc5n6cnnn6)Cl,
1.1.1.47,,,,,,,,,
,Family. Representative Entry is ,2B5W,,,,,,,
,,,FLC:A:802,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,K:A:901,Part of Protein,,,,,[K+],
,,,K:A:902,Part of Protein,,,,,[K+],
,,,K:A:903,Part of Protein,,,,,[K+],
,,,K:A:904,Part of Protein,,,,,[K+],
,,,K:A:905,Part of Protein,,,,,[K+],
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,2VWG,,,,,,,
,,,LGC:A:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,2B5V,,,,,,,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2VWQ,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,2VWH,,,,,,,
,,,BGC:A:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,2VWP,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3AY6,,,,,,,
,,,BGC:A:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:264,invalid,,,,,[Cl-],
,,,CL:B:264,invalid,,,,,[Cl-],
,,,NAI:A:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3AUU,,,,,,,
,,,BGC:A:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3AUT,,,,,,,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1GEE,,,,,,,
,,,NAD:A:1262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:3262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:4262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1RWB,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1GCO,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1G6K,,,,,,,
,,,NAD:A:1262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:3262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:4262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2CDC,,,,,,,
,,,EDO:B:1367,invalid,,,,,C(CO)O,
,,,EDO:C:1367,invalid,,,,,C(CO)O,
,,,EDO:D:1367,invalid,,,,,C(CO)O,
,,,NAP:A:1367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1368,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1368,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1368,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,XYP:A:1369,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:1369,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:1369,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:1370,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:A:1368,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:1370,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:1370,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:1370,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:1369,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:1371,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ZN:A:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1372,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1372,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1372,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1372,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1373,Part of Protein,,,,,[Zn+2],
,,2CDB,,,,,,,
,,,BGC:A:1368,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1368,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:1368,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:1368,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:1367,invalid,,,,,C(CO)O,
,,,EDO:B:1367,invalid,,,,,C(CO)O,
,,,EDO:C:1367,invalid,,,,,C(CO)O,
,,,EDO:D:1367,invalid,,,,,C(CO)O,
,,,NAP:A:1369,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1369,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1369,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1369,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:1370,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1370,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1370,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1371,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1370,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1371,Part of Protein,,,,,[Zn+2],
,,2CDA,,,,,,,
,,,NAP:A:1367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1367,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:1368,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1369,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1368,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1369,Part of Protein,,,,,[Zn+2],
2.4.1.211,,,,,,,,,
,Family. Representative Entry is ,2ZUV,,,,,,,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:B:2013,invalid,,,,,C(CO)O,
,,,EDO:B:2014,invalid,,,,,C(CO)O,
,,,EDO:B:2015,invalid,,,,,C(CO)O,
,,,EDO:B:2016,invalid,,,,,C(CO)O,
,,,MG:A:2017,Part of Protein,,,,,[Mg+2],
,,,MG:A:2021,Part of Protein,,,,,[Mg+2],
,,,MG:A:2023,Part of Protein,,,,,[Mg+2],
,,,MG:B:2018,Part of Protein,,,,,[Mg+2],
,,,MG:B:2019,Part of Protein,,,,,[Mg+2],
,,,MG:B:2020,Part of Protein,,,,,[Mg+2],
,,,MG:B:2022,Part of Protein,,,,,[Mg+2],
,,,MG:B:2024,Part of Protein,,,,,[Mg+2],
,,,NDG:A:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:2002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NO3:A:2003,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:2004,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:2005,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:2006,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:2007,invalid,,,,,[N+](=O)([O-])[O-],
,,2ZUW,,,,,,,
,,,GOL:A:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4009,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4010,invalid,,,,,C(C(CO)O)O,
,,,MG:B:4013,invalid,,,,,[Mg+2],
,,,NDG:A:4001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:4002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:4003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:4004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NO3:A:4012,invalid,,,,,[N+](=O)([O-])[O-],
,,,SO4:D:4011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZUU,,,,,,,
,,,GOL:A:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4008,invalid,,,,,C(C(CO)O)O,
,,,MG:B:4009,invalid,,,,,[Mg+2],
,,,NDG:A:4001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:4002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:C:4003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:D:4004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,2ZUT,,,,,,,
,,,A2G:A:4001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:4002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:C:4003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:D:4004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,GOL:A:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4009,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4010,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:4011,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4012,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:4013,invalid,,,,,C(C(CO)O)O,
,,,MG:A:4016,Part of Protein,,,,,[Mg+2],
,,,MG:B:4015,Part of Protein,,,,,[Mg+2],
,,,MG:B:4019,Part of Protein,,,,,[Mg+2],
,,,MG:C:4018,Part of Protein,,,,,[Mg+2],
,,,MG:D:4017,Part of Protein,,,,,[Mg+2],
,,,MG:D:4020,Part of Protein,,,,,[Mg+2],
,,,NO3:A:4014,invalid,,,,,[N+](=O)([O-])[O-],
4.2.1.115,,,,,,,,,
,Family. Representative Entry is ,4G5H,,,,,,,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:415,invalid,,,,,C(=O)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:A:416,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,NA:A:418,Part of Protein,,,,,[Na+],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UD7:A:403,valid,,,,,C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,UD7:A:402,valid,,,,,C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,3W1V,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDZ:B:409,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O,
,,,UDZ:A:409,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CN=[N+]=N)O)O,
,,,EPE:A:408,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:B:408,Part of Protein,,,,,[Na+],
,,3VVC,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.1.144,,,,,,,,,
,Family. Representative Entry is ,2JG1,,,,,,,
,,,ANP:A:1312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1313,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:1311,invalid,,,,,[Mg+2],
,,,MG:C:1310,invalid,,,,,[Mg+2],
,,,MG:D:1311,invalid,,,,,[Mg+2],
,,,MG:A:1311,invalid,,,,,[Mg+2],
,,,MG:C:1311,invalid,,,,,[Mg+2],
,,,TA6:C:1312,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2JGV,,,,,,,
,,,ADP:B:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.97.1.8,,,,,,,,,
,Family. Representative Entry is ,5M90,,,,,,,
,,,BEN:B:505,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:508,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:506,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,JIF:B:508,invalid,,,,,c1c(cc(c(c1F)F)F)O,
,,,JIF:B:507,valid,,,,,c1c(cc(c(c1F)F)F)O,
,,,JIF:A:509,valid,,,,,c1c(cc(c(c1F)F)F)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5M92,,,,,,,
,,,BEN:B:505,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,Y8I:B:507,invalid,,,,,c1cc(c(cc1Br)Br)O,
,,,Y8I:A:512,valid,,,,,c1cc(c(cc1Br)Br)O,
,,,Y8I:B:506,valid,,,,,c1cc(c(cc1Br)Br)O,
,,,Y8I:A:513,invalid,,,,,c1cc(c(cc1Br)Br)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BR:A:514,invalid,,,,,[Br-],
,,5M8X,,,,,,,
,,,TC7:A:513,valid,,,,,c1c(c(cc(c1Cl)Cl)Cl)O,
,,,TC7:B:505,valid,,,,,c1c(c(cc(c1Cl)Cl)Cl)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,4UR0,,,,,,,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,TCV:B:505,valid,,,,,C(=C(Cl)Cl)Cl,
,,,BEN:A:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5MAA,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,B3R:B:504,valid,,,,,c1cc(cc(c1)Br)O,
,,,B3R:B:505,invalid,,,,,c1cc(cc(c1)Br)O,
,,,B3R:A:510,invalid,,,,,c1cc(cc(c1)Br)O,
,,,B3R:A:509,valid,,,,,c1cc(cc(c1)Br)O,
,,,OBL:B:503,invalid,,,,,CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N,
,,,OBL:A:503,invalid,,,,,CC1=C2[C@H]([C@]([C@]3(N2[Co]45[N+]6=C(C(=C7[N+]4=C(C=C8[N+]5=C1[C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C([C@@H]7CCC(=O)N)(C)C)C)[C@]([C@H]([C@H]36)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1ccc(c2)OC)CO)C)(C)CC(=O)N)CCC(=O)N,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5MA1,,,,,,,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,T6C:B:505,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,,T6C:A:505,valid,,,,,c1c(cc(c(c1Cl)O)Cl)Cl,
,,5M8Y,,,,,,,
,,,3CH:A:510,valid,,,,,c1cc(cc(c1)Cl)O,
,,,3CH:B:506,valid,,,,,c1cc(cc(c1)Cl)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5M2G,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,TBP:B:506,valid,,,,,c1c(cc(c(c1Br)O)Br)Br,
,,,TBP:A:510,valid,,,,,c1c(cc(c(c1Br)O)Br)Br,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5MA0,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,DUB:B:506,valid,,,,,c1cc(c(c(c1)Cl)O)Cl,
,,,DUB:A:508,valid,,,,,c1cc(c(c(c1)Cl)O)Cl,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,5M8W,,,,,,,
,,,4CH:A:512,valid,,,,,c1cc(ccc1O)Cl,
,,,4CH:B:507,valid,,,,,c1cc(ccc1O)Cl,
,,,BEN GOL:A:504,invalid,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BEN:B:506,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5M8Z,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ZTN:A:513,valid,,,,,c1cc(c(c(c1)F)F)O,
,,,ZTN:B:507,valid,,,,,c1cc(c(c(c1)F)F)O,
,,,BEN:B:506,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:512,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,4UR1,,,,,,,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BEN:A:512,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:511,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CB0:B:505,valid,,,,,C(=CBr)Br,
,,,CB0:A:505,valid,,,,,C(=CBr)Br,
,,5MA2,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,IOL:B:506,invalid,,,,,c1cc(ccc1O)I,
,,,IOL:B:510,invalid,,,,,c1cc(ccc1O)I,
,,,IOL:B:509,valid,,,,,c1cc(ccc1O)I,
,,,IOL:B:507,invalid,,,,,c1cc(ccc1O)I,
,,,IOL:A:510,invalid,,,,,c1cc(ccc1O)I,
,,,IOL:A:509,valid,,,,,c1cc(ccc1O)I,
,,,IOL:A:511,invalid,,,,,c1cc(ccc1O)I,
,,,IOL:B:508,invalid,,,,,c1cc(ccc1O)I,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:B:511,invalid,,,,,[I-],
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5M8U,,,,,,,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BML:A:512,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:513,invalid,,,,,c1cc(ccc1O)Br,
,,,BML:B:505,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:506,invalid,,,,,c1cc(ccc1O)Br,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,5M91,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,BEN GOL:A:504,invalid,,,,,,
,,,BVQ:A:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,BVQ:B:503,invalid,,,,,CC1=C2[C@@]([C@@H](C3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCOP(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N,
,,,94N:A:510,valid,,,,,c1cc(c(c(c1)Br)O)Br,
,,,94N:B:506,valid,,,,,c1cc(c(c(c1)Br)O)Br,
6.1.1.17,,,,,,,,,
,Family. Representative Entry is ,5VAD,,,,,,,
,,,PRO:A:1602,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:1602,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,ZN:B:1603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1603,Part of Protein,,,,,[Zn+2],
,,,91Y:A:1601,valid,Kd,=,0.76,nM,c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4,
,,,91Y:B:1601,valid,Kd,=,0.76,nM,c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)C4CCCCC4,
,,4HVC,,,,,,,
,,,ANP MG:A:1601,valid,,,,,P(=O)(OP(=O)([O-])NP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ANP MG:B:1601,valid,,,,,P(=O)(OP(=O)([O-])NP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,HFG:A:1602,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,HFG:B:1602,valid,,,,,c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)C[C@@H]3[C@H](CCCN3)O,
,,,ZN:A:1604,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1604,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3AFH,,,,,,,
,,,GSU:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N,
,Family. Representative Entry is ,1J09,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLU:A:500,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,2CUZ,,,,,,,
,,,GLU:A:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1N75,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
1.7.3.4,,,,,,,,,
,Family. Representative Entry is ,4N4J,,,,,,,
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEC:A:616,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:611,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:615,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:609,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:613,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:610,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:614,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:612,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HG1:A:606,valid,,,,,C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,HG1:A:608,valid,,,,,C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,HG1:A:607,valid,,,,,C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,HG1:A:605,valid,,,,,C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,4N4L,,,,,,,
,,,HEM:A:620,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:617,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:615,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:613,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:618,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:614,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HZN:A:612,invalid,,,,,NN,
,,,HG1:A:621,valid,,,,,C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,HEC:A:616,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,4N4M,,,,,,,
,,,HEM:A:620,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:617,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:615,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:613,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:618,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:619,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:614,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PHZ:A:612,valid,,,,,c1ccc(cc1)NN,
,,,HEC:A:616,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
3.6.4.6,,,,,,,,,
,Family. Representative Entry is ,3HU3,,,,,,,
,,,AGS:A:800,valid,Kd,=,0.13,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:800,valid,Kd,=,0.13,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,4KO8,,,,,,,
,,,AGS:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5DYG,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4D81,,,,,,,
,,,ADP:A:1364,valid,Kd,=,0.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5IFS,,,,,,,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
2.1.1.319,,,,,,,,,
,Family. Representative Entry is ,6ARJ,,,,,,,
,,,BW4:A:502,valid,Ki,=,25,nM,Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C,
,,,BW4:D:502,valid,Ki,=,25,nM,Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C,
,,,BW4:C:502,valid,Ki,=,25,nM,Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C,
,,,BW4:B:502,valid,Ki,=,25,nM,Cc1c(nc(nc1N2CC3(C2)CCN(CC3)C(=O)OC)c4cc(ccc4Cl)OC[C@@H](CNC)O)c5c(noc5C)C,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6ARV,,,,,,,
,,,BW7:C:502,valid,ic50,=,46,nM,CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4,
,,,BW7:D:502,valid,ic50,=,46,nM,CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4,
,,,BW7:B:502,valid,ic50,=,46,nM,CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4,
,,,BW7:A:502,valid,ic50,=,46,nM,CC(C)n1c2c(cn1)c(cc(n2)c3cccc(c3)OC[C@@H](CN)O)N4CCOCC4,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SAH:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6S77,,,,,,,
,,,KXW:A:501,valid,Kd,=,143,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:B:501,valid,Kd,=,143,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:C:501,valid,Kd,=,143,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:D:501,valid,Kd,=,143,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,6S74,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,KY8:C:501,valid,Kd,=,2.3,uM,c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY8:B:501,valid,Kd,=,2.3,uM,c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY8:A:501,valid,Kd,=,2.3,uM,c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY8:D:501,valid,Kd,=,2.3,uM,c1cnc(nc1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,6S7A,,,,,,,
,,,KY5:D:501,valid,Kd,=,1.14,uM,c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY5:C:501,valid,Kd,=,1.14,uM,c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY5:B:501,valid,Kd,=,1.14,uM,c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KY5:A:501,valid,Kd,=,1.14,uM,c1ccnc(c1)NCCCN(CCCN)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,2Y1X,,,,,,,
,,,845:A:1002,valid,,,,,C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N,
,,,845:B:1002,valid,,,,,C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N,
,,,845:C:1002,valid,,,,,C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N,
,,,845:D:1002,valid,,,,,C[C@@H](C(=O)NCc1cccc(c1)N2C(=C3NN=C(O3)c4cccc5c4cc[nH]5)C=C(N2)C(F)(F)F)N,
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,CL:C:1003,invalid,,,,,[Cl-],
,,,CL:D:1003,invalid,,,,,[Cl-],
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6S79,,,,,,,
,,,KXW:A:501,valid,Kd,=,1.11,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:B:501,valid,Kd,=,1.11,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:C:501,valid,Kd,=,1.11,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,KXW:D:501,valid,Kd,=,1.11,uM,c1ccnc(c1)NCCCN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,5K8V,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:D:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,6RE:C:501,valid,ic50,=,460,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N,
,,,6RE:B:501,valid,ic50,=,460,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N,
,,,6RE:D:501,valid,ic50,=,460,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N,
,,,6RE:A:501,valid,ic50,=,460,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCNC(=[NH2+])N)O)O)N,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PG6:B:502,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,DXE:A:502,invalid,,,,,COCCOC,
,,6S7C,,,,,,,
,,,KY2:A:501,valid,Kd,=,3.32,uM,[H]/N=C(N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KY2:C:501,valid,Kd,=,3.32,uM,[H]/N=C(N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KY2:D:501,valid,Kd,=,3.32,uM,[H]/N=C(N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KY2:B:501,valid,Kd,=,3.32,uM,[H]/N=C(N)/NCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6IZQ,,,,,,,
,,,XJ2:A:501,valid,ic50,=,3.19,uM,CNC[C@H](CN1CCCc2ccccc2C1)O,
,,6S70,,,,,,,
,,,KYB:D:501,valid,Kd,=,9.8,uM,[H]/N=C(/N)NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYB:C:501,valid,Kd,=,9.8,uM,[H]/N=C(/N)NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYB:A:501,valid,Kd,=,9.8,uM,[H]/N=C(/N)NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYB:B:501,valid,Kd,=,9.8,uM,[H]/N=C(/N)NCCCCCN(CCCN)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,2Y1W,,,,,,,
,,,849:A:1005,valid,,,,,CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F,
,,,849:B:1005,valid,,,,,CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F,
,,,849:C:1005,valid,,,,,CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F,
,,,849:D:1005,valid,,,,,CNCCN1CCC(CC1)c2ccc3c(c2)c(c([nH]3)c4ccccc4OC)F,
,,,SFG:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,5DXJ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,SFG:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,6S71,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,KYE:B:501,valid,Kd,=,38.1,uM,[H]/N=C(/N)NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYE:C:501,valid,Kd,=,38.1,uM,[H]/N=C(/N)NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYE:D:501,valid,Kd,=,38.1,uM,[H]/N=C(/N)NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,KYE:A:501,valid,Kd,=,38.1,uM,[H]/N=C(/N)NCCCCCN(CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3B3F,,,,,,,
,,,SAH:A:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6NT2,,,,,,,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,KZS:A:402,valid,,,,,CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC,
,,,KZS:B:402,valid,,,,,CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC,
,,,KZS:D:402,valid,,,,,CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC,
,,,KZS:C:402,valid,,,,,CCOCC1(CCC(CC1)c2c(cn[nH]2)CN(C)CCNC)COCC,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,DTT:B:409,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
2.7.1.60,,,,,,,,,
,Family. Representative Entry is ,2YHW,,,,,,,
,,,2PE:A:1720,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ACT:A:1728,invalid,,,,,CC(=O)[O-],
,,,BM3:A:1718,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:1724,Part of Protein,,,,,[Ca+2],
,,,CL:A:1729,invalid,,,,,[Cl-],
,,,EDO:A:1721,invalid,,,,,C(CO)O,
,,,EDO:A:1722,invalid,,,,,C(CO)O,
,,,EDO:A:1723,invalid,,,,,C(CO)O,
,,,EDO:A:1726,invalid,,,,,C(CO)O,
,,,PGE:A:1725,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1727,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:1719,Part of Protein,,,,,[Zn+2],
,,2YI1,,,,,,,
,,,2PE:A:1720,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ACT:A:1726,invalid,,,,,CC(=O)[O-],
,,,ADP:A:1727,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BM3:A:1001,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BMX:A:1000,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,CA:A:1718,Part of Protein,,,,,[Ca+2],
,,,CA:A:1719,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1722,invalid,,,,,C(CO)O,
,,,EDO:A:1723,invalid,,,,,C(CO)O,
,,,EDO:A:1724,invalid,,,,,C(CO)O,
,,,EDO:A:1725,invalid,,,,,C(CO)O,
,,,MG:A:1717,Part of Protein,,,,,[Mg+2],
,,,PG4:A:1721,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,2YHY,,,,,,,
,,,2PE:A:1719,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ADP:A:1727,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BM3:A:1000,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:1718,Part of Protein,,,,,[Ca+2],
,,,CL:A:1729,invalid,,,,,[Cl-],
,,,EDO:A:1721,invalid,,,,,C(CO)O,
,,,EDO:A:1724,invalid,,,,,C(CO)O,
,,,EDO:A:1728,invalid,,,,,C(CO)O,
,,,MG:A:1723,Part of Protein,,,,,[Mg+2],
,,,PG4:A:1720,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1722,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1725,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1726,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
6.3.2.8,,,,,,,,,
,Family. Representative Entry is ,1P31,,,,,,,
,,,EPU:A:598,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,EPU:B:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OC(=C)C(=O)O,
,,,MG:A:611,Part of Protein,,,,,[Mg+2],
,,,MG:A:776,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:710,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1GQY,,,,,,,
,,,ACP:A:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:1477,Part of Protein,,,,,[Mg+2],
,,,MG:B:1476,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1P3D,,,,,,,
,,,ANP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:A:605,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:B:1605,Part of Protein,,,,,[Mn+2],
,,,UMA:A:602,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
,,,UMA:B:1602,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C,
3.4.21.37,,,,,,,,,
,Family. Representative Entry is ,5A8Y,,,,,,,
,,,MES:A:1244,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,MLI:A:1245,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,VBM:A:1001,valid,ic50,=,0.17,nM,CC1=C([C@H](N2C(=N/C(=N/C(=O)OC)/N2)N1c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C#N,
,,5A09,,,,,,,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,JJD:A:1244,valid,ic50,=,3.5,nM,CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)O)c3ccc(cc3)C#N)C(=O)C,
,,5A8X,,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,IUY:A:1001,valid,ic50,=,6.5,nM,CCOC(=O)C1=C(N(c2[nH]cc[n+]2[C@@H]1c3ccc(cc3)C#N)c4cccc(c4)C(F)(F)F)C,
,,5ABW,,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,CL:A:1249,invalid,,,,,[Cl-],
,,,CL:A:1247,invalid,,,,,[Cl-],
,,,CL:A:1248,invalid,,,,,[Cl-],
,,,WQQ:A:1001,valid,ic50,=,17,nM,Cc1c(c(on1)C)C2=C(N(C(=O)C(=C2)C(=O)NCc3ccc(cc3)S(=O)(=O)C)c4cccc(c4)Cl)C,
,,5A0B,,,,,,,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,JJX:A:1001,valid,ic50,=,5,nM,CC1=C([C@H](N(C(=O)N1c2cccc(c2)C(F)(F)F)CC(=O)N3CCN(CC3)C(C)C)c4ccc(cc4)C#N)C#N,
,,5A8Z,,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,IUL:A:1001,valid,ic50,=,28,nM,CN1CC2=C([C@H](NC(=O)N2c3cccc(c3)C(F)(F)F)c4ccc(cc4)C#N)C(=O)N1,
,,3Q77,,,,,,,
,,,2HY:A:500,valid,ic50,=,6,nM,CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3)C#N)C(=O)OCCO,
,,,NAG:A:411,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:B:1,Part of Protein,,,,,,
,,5A0C,,,,,,,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,MES:A:1002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,XPE:A:1003,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,JJV:B:1001,valid,ic50,=,0.54,nM,CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N,
,,,JJV:A:1001,valid,ic50,=,0.54,nM,CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(cc3S(=O)(=O)C)C#N)C#N,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,5A0A,,,,,,,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:A:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:E:1247,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:E:1250,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,JJS:E:1244,valid,Ki,=,15,nM,CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C,
1.14.11.47,,,,,,,,,
,Family. Representative Entry is ,6F4Q,,,,,,,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OGA:A:502,valid,ic50,=,6,uM,C(C(=O)O)NC(=O)C(=O)O,
,,6F4P,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OGA:A:502,valid,ic50,=,6,uM,C(C(=O)O)NC(=O)C(=O)O,
2.7.7.19,,,,,,,,,
,Family. Representative Entry is ,3MCT,,,,,,,
,,,3MC:A:600,valid,Kd,=,85.5,uM,C[N+]1=C(C=CNC1=O)N,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1VP3,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1VPT,,,,,,,
,,,SAM:A:400,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2VP3,,,,,,,
,,,M7G:A:401,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1P39,,,,,,,
,,,MGT:A:401,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1B42,,,,,,,
,,,M1A:A:600,valid,Kd,=,97.9,uM,C[n+]1cnc2c(c1N)nc[nH]2,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4DCG,,,,,,,
,,,MG7:A:401,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1EAM,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1V39,,,,,,,
,,,M7G:A:401,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1VP9,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1BKY,,,,,,,
,,,1MC:A:600,valid,Kd,=,144,uM,CN1C=CC(=NC1=O)N,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1JSZ,,,,,,,
,,,NDM:A:600,valid,,,,,Cn1c[n+](c2c1NC(NC2O)N)C,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3MAG,,,,,,,
,,,3MA:A:600,valid,Kd,=,86,uM,C[n+]1cnc(c2c1[nH]cn2)N,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1JTE,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1EQA,,,,,,,
,,,MG7:A:600,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1Q79,,,,,,,
,,,3AT:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GOL:A:3000,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,1F5A,,,,,,,
,,,3AT:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3PO:A:4000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:A:1003,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2HHP,,,,,,,
,,,FLC:A:531,valid,ic50,=,20,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:532,valid,ic50,=,20,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:533,Part of Protein,,,,,[Mg+2],
1.1.3.15,,,,,,,,,
,Family. Representative Entry is ,1AL8,,,,,,,
,,,DHP:A:361,valid,Ki,=,4.8,uM,CCCCCCCCCCC1=C(C(=O)NC1=O)O,
,,,FMN:A:360,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1GOX,,,,,,,
,,,FMN:A:370,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1TB3,,,,,,,
,,,ACY:A:1402,invalid,,,,,CC(=O)O,
,,,ACY:B:2402,invalid,,,,,CC(=O)O,
,,,ACY:C:3402,invalid,,,,,CC(=O)O,
,,,ACY:D:4402,invalid,,,,,CC(=O)O,
,,,ACY:E:5402,invalid,,,,,CC(=O)O,
,,,ACY:F:6402,invalid,,,,,CC(=O)O,
,,,ACY:G:7402,invalid,,,,,CC(=O)O,
,,,ACY:H:8402,invalid,,,,,CC(=O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:3401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:5401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:6401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:7401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:8401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3SGZ,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HO6:A:402,valid,,,,,Cc1ccc(cc1)Sc2c(nns2)C(=O)O,
,,,HO6:B:402,valid,,,,,Cc1ccc(cc1)Sc2c(nns2)C(=O)O,
,,,HO6:C:402,valid,,,,,Cc1ccc(cc1)Sc2c(nns2)C(=O)O,
,Family. Representative Entry is ,2RDT,,,,,,,
,,,2RD:A:365,valid,Ki,~,15,nM,CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O,
,,,FMN:A:364,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2RDW,,,,,,,
,,,FMN:A:372,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2RDU,,,,,,,
,,,FMN:A:371,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GLV:A:372,valid,,,,,C(=O)C(=O)O,
1.1.99.5,,,,,,,,,
,Family. Representative Entry is ,2R4J,,,,,,,
,,,13P:A:1968,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:816,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,BCN:A:1969,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:820,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:821,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BOG:A:1949,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1950,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:700,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:700,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:1952,invalid,,,,,C(CO)O,
,,,EDO:A:1953,invalid,,,,,C(CO)O,
,,,EDO:A:1954,invalid,,,,,C(CO)O,
,,,EDO:A:1955,invalid,,,,,C(CO)O,
,,,EDO:A:1956,invalid,,,,,C(CO)O,
,,,EDO:A:1957,invalid,,,,,C(CO)O,
,,,EDO:A:1958,invalid,,,,,C(CO)O,
,,,EDO:A:1959,invalid,,,,,C(CO)O,
,,,EDO:A:1962,invalid,,,,,C(CO)O,
,,,EDO:A:1964,invalid,,,,,C(CO)O,
,,,EDO:A:1965,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:B:811,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:B:814,invalid,,,,,C(CO)O,
,,,EDO:B:815,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:818,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:1960,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1961,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1963,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1966,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1967,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:819,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:1951,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TAM:B:812,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,2R46,,,,,,,
,,,BOG:A:1949,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:900,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:900,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:1950,invalid,,,,,C(CO)O,
,,,EDO:A:1951,invalid,,,,,C(CO)O,
,,,EDO:A:1952,invalid,,,,,C(CO)O,
,,,EDO:A:1953,invalid,,,,,C(CO)O,
,,,EDO:A:1954,invalid,,,,,C(CO)O,
,,,EDO:A:1955,invalid,,,,,C(CO)O,
,,,EDO:A:1956,invalid,,,,,C(CO)O,
,,,EDO:A:1957,invalid,,,,,C(CO)O,
,,,EDO:A:7067,invalid,,,,,C(CO)O,
,,,EDO:A:7068,invalid,,,,,C(CO)O,
,,,EDO:A:7069,invalid,,,,,C(CO)O,
,,,EDO:A:7070,invalid,,,,,C(CO)O,
,,,EDO:B:7067,invalid,,,,,C(CO)O,
,,,EDO:B:7069,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:B:7068,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEP:A:700,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:700,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,T3A:A:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,,T3A:B:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,2R4E,,,,,,,
,,,13P:A:1955,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:7067,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,BOG:A:1949,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1950,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1951,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1952,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1949,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1950,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:1956,invalid,,,,,C(CO)O,
,,,EDO:A:1958,invalid,,,,,C(CO)O,
,,,EDO:A:1959,invalid,,,,,C(CO)O,
,,,EDO:A:1960,invalid,,,,,C(CO)O,
,,,EDO:A:1961,invalid,,,,,C(CO)O,
,,,EDO:A:1962,invalid,,,,,C(CO)O,
,,,EDO:B:1954,invalid,,,,,C(CO)O,
,,,EDO:B:1955,invalid,,,,,C(CO)O,
,,,EDO:B:1956,invalid,,,,,C(CO)O,
,,,EDO:B:1957,invalid,,,,,C(CO)O,
,,,EDO:B:1958,invalid,,,,,C(CO)O,
,,,EDO:B:1959,invalid,,,,,C(CO)O,
,,,EDO:B:1961,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:1957,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1960,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:1953,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1954,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1951,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1952,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1953,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,T3A:A:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,,T3A:B:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,2QCU,,,,,,,
,,,BOG:A:700,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:801,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:700,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:820,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:811,invalid,,,,,C(CO)O,
,,,EDO:B:812,invalid,,,,,C(CO)O,
,,,EDO:B:813,invalid,,,,,C(CO)O,
,,,EDO:B:814,invalid,,,,,C(CO)O,
,,,EDO:B:815,invalid,,,,,C(CO)O,
,,,EDO:B:816,invalid,,,,,C(CO)O,
,,,EDO:B:817,invalid,,,,,C(CO)O,
,,,EDO:B:819,invalid,,,,,C(CO)O,
,,,EDO:B:820,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:807,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:821,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:805,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:A:823,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:B:810,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,2R45,,,,,,,
,,,2PG:A:700,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:700,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,BOG:A:1949,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1950,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:900,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:800,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:900,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,EDO:A:1957,invalid,,,,,C(CO)O,
,,,EDO:A:1959,invalid,,,,,C(CO)O,
,,,EDO:A:1960,invalid,,,,,C(CO)O,
,,,EDO:A:1961,invalid,,,,,C(CO)O,
,,,EDO:A:1962,invalid,,,,,C(CO)O,
,,,EDO:A:1963,invalid,,,,,C(CO)O,
,,,EDO:A:7067,invalid,,,,,C(CO)O,
,,,EDO:B:7067,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,EDO:B:909,invalid,,,,,C(CO)O,
,,,EDO:B:910,invalid,,,,,C(CO)O,
,,,EDO:B:911,invalid,,,,,C(CO)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:1956,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1958,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:912,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:1951,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1952,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1953,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1954,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1955,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,T3A:A:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,,T3A:B:7066,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
4.2.3.-,,,,,,,,,
,Family. Representative Entry is ,4MC3,,,,,,,
,,,28U:A:401,valid,,,,,CC(=CCCC(=CCC[C@](C)(C=C)O)C)C,
,Family. Representative Entry is ,3V1V,,,,,,,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GST:A:511,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,3V1X,,,,,,,
,,,0FV:A:503,valid,,,,,CC(=CCC/C(=C(/COP(=O)(O)OP(=O)(O)O)F)/C)C,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,4LA6,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,LA6:A:503,valid,,,,,CC(=CCC/C(=C(CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C,
,Family. Representative Entry is ,2GRU,,,,,,,
,,,CAK:B:609,invalid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)COP(=O)(O)O,
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,CO:B:602,Part of Protein,,,,,[Co+2],
,,,EXO:A:607,valid,,,,,C=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O,
,,,MPD:A:611,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:610,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAD:A:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:604,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO3:A:605,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:606,invalid,,,,,[O-]S(=O)[O-],
2.4.1.321,,,,,,,,,
,Family. Representative Entry is ,4ZLF,,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,CEZ:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O,
,,,CL:A:809,invalid,,,,,[Cl-],
,,4ZLG,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,LGC:A:804,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,GCO:A:801,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,4ZLI,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:811,invalid,,,,,[Cl-],
,,,GCU BGC:B:1,valid,,,,,O=C([O-])C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1,
1.1.1.9,,,,,,,,,
,Family. Representative Entry is ,1ZEM,,,,,,,
,,,MG:C:3265,invalid,,,,,[Mg+2],
,,,MG:C:3268,invalid,,,,,[Mg+2],
,,,MG:D:3264,invalid,,,,,[Mg+2],
,,,MG:E:3266,invalid,,,,,[Mg+2],
,,,MG:F:3267,invalid,,,,,[Mg+2],
,,,NAD:A:2263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:4263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:5263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:6263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:7263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:8263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:9263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.13.11.18,,,,,,,,,
,Family. Representative Entry is ,5VE5,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,GSH:C:402,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:402,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:402,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:404,invalid,,,,,c1c[nH+]c[nH]1,
6.2.1.30,,,,,,,,,
,Family. Representative Entry is ,2Y4N,,,,,,,
,,,BME:A:504,invalid,,,,,C(CS)O,
,,,BME:B:506,invalid,,,,,C(CS)O,
,,,BME:B:505,invalid,,,,,C(CS)O,
,,,DLL:A:505,valid,,,,,c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,DLL:B:507,valid,,,,,c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,PAC:B:503,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PGE:B:504,invalid,,,,,C(COCCOCCO)O,
,,2Y27,,,,,,,
,,,ATP:A:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:512,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BME:A:506,invalid,,,,,C(CS)O,
,,,BME:B:508,invalid,,,,,C(CS)O,
,,,BME:B:510,invalid,,,,,C(CS)O,
,,,BME:B:509,invalid,,,,,C(CS)O,
,,,BME:B:511,invalid,,,,,C(CS)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,MG:A:511,Part of Protein,,,,,[Mg+2],
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,MG:A:510,Part of Protein,,,,,[Mg+2],
,,,MG:B:514,Part of Protein,,,,,[Mg+2],
,,,MG:B:515,Part of Protein,,,,,[Mg+2],
,,,MG:B:513,Part of Protein,,,,,[Mg+2],
,,,PG4:A:507,invalid,,,,,C(COCCOCCOCCO)O,
,,,SCN:A:503,invalid,,,,,C(#N)[S-],
,,,SCN:A:501,invalid,,,,,C(#N)[S-],
,,,SCN:A:504,invalid,,,,,C(#N)[S-],
,,,SCN:A:502,invalid,,,,,C(#N)[S-],
,,,SCN:A:513,invalid,,,,,C(#N)[S-],
,,,SCN:A:512,invalid,,,,,C(#N)[S-],
,,,SCN:B:502,invalid,,,,,C(#N)[S-],
,,,SCN:B:503,invalid,,,,,C(#N)[S-],
,,,SCN:B:501,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,2Y4O,,,,,,,
,,,BME:B:1444,invalid,,,,,C(CS)O,
,,,DLL:A:1441,valid,,,,,c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,DLL:B:1438,valid,,,,,c1ccc(cc1)CC(=O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,K:A:1440,Part of Protein,,,,,[K+],
,,,K:B:1446,Part of Protein,,,,,[K+],
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:1445,Part of Protein,,,,,[Mg+2],
,,,PEG:B:1439,invalid,,,,,C(COCCO)O,
,,,PEG:B:1440,invalid,,,,,C(COCCO)O,
,,,PEG:B:1441,invalid,,,,,C(COCCO)O,
,,,PEG:B:1442,invalid,,,,,C(COCCO)O,
,,,PEG:B:1443,invalid,,,,,C(COCCO)O,
4.2.3.146,,,,,,,,,
,Family. Representative Entry is ,7AO3,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MPD:B:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,AHD:B:406,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:A:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,6GGJ,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,AHD:B:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:A:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,7AO0,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,AHD:B:407,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:A:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,MPD:B:408,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,7AO2,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,AHD:B:402,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:A:402,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,5GUE,,,,,,,
,,,GGS:D:401,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:A:401,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:C:401,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:B:401,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,7AO1,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MPD:A:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,AHD:A:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,,AHD:B:401,valid,,,,,C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN,
,,6GGI,,,,,,,
,,,PPV:A:406,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:405,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CCN:A:411,invalid,,,,,CC#N,
,,,MPD:B:407,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:408,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PEG:A:412,invalid,,,,,C(COCCO)O,
,,,PEG:B:409,invalid,,,,,C(COCCO)O,
,,,K:A:413,Part of Protein,,,,,[K+],
,,,K:B:410,Part of Protein,,,,,[K+],
,,,EXW:A:407,valid,,,,,CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C,
,,,EXW:B:406,valid,,,,,CC1=CCCC(=C(C[C@]2(CC[C@H]([C@H]2CC1)C(=C)C)C)F)C,
6.3.5.-,,,,,,,,,
,Family. Representative Entry is ,3H0L,,,,,,,
,,,ADP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:N:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:Q:706,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:T:707,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:W:708,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ASN:A:901,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:902,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:G:903,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:J:904,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:M:905,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:P:906,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:S:907,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:V:908,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:E:802,Part of Protein,,,,,[Mg+2],
,,,MG:H:803,Part of Protein,,,,,[Mg+2],
,,,MG:K:804,Part of Protein,,,,,[Mg+2],
,,,MG:N:805,Part of Protein,,,,,[Mg+2],
,,,MG:Q:806,Part of Protein,,,,,[Mg+2],
,,,MG:T:807,Part of Protein,,,,,[Mg+2],
,,,MG:W:808,Part of Protein,,,,,[Mg+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:E:902,Part of Protein,,,,,[Zn+2],
,,,ZN:H:903,Part of Protein,,,,,[Zn+2],
,,,ZN:K:904,Part of Protein,,,,,[Zn+2],
,,,ZN:N:905,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:906,Part of Protein,,,,,[Zn+2],
,,,ZN:T:907,Part of Protein,,,,,[Zn+2],
,,,ZN:W:908,Part of Protein,,,,,[Zn+2],
6.3.2.19,,,,,,,,,
,Family. Representative Entry is ,4II2,,,,,,,
,,,EDO:A:1110,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1108,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,EDO:A:1109,invalid,,,,,C(CO)O,
,,,PG0:A:1104,invalid,,,,,COCCOCCO,
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:1103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5FQD,,,,,,,
,,,LVY:B:1438,valid,Kd,=,242,nM,c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O,
,,,LVY:E:1438,valid,Kd,=,242,nM,c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O,
,,,ZN:B:1437,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1437,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1UMI,,,,,,,
,,,NDG NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,Family. Representative Entry is ,3RZ3,,,,,,,
,,,U94:A:1,valid,ic50,=,1.72,uM,COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O,
,,,U94:B:1,valid,ic50,=,1.72,uM,COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O,
,,,U94:C:1,valid,ic50,=,1.72,uM,COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O,
,,,U94:D:1,valid,ic50,=,1.72,uM,COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O,
3.2.1.81,,,,,,,,,
,Family. Representative Entry is ,4BQ4,,,,,,,
,,,GOL:B:1800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1798,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1799,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1798,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1799,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1800,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1803,invalid,,,,,[Ca+2],
,,,CA:B:1802,Part of Protein,,,,,[Ca+2],
,,,CA:A:1802,Part of Protein,,,,,[Ca+2],
,,,CA:B:1803,invalid,,,,,[Ca+2],
,,,GAL AAL GAL AAL:C:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(O)C(O1)CO2,
,,,GAL AAL GAL AAL:D:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(O)OC(CO)C4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(O)C(O1)CO2,
,,4BQ5,,,,,,,
,,,CA:A:1804,Part of Protein,,,,,[Ca+2],
,,,CA:A:1803,invalid,,,,,[Ca+2],
,,,CA:B:1807,invalid,,,,,[Ca+2],
,,,CA:A:1802,Part of Protein,,,,,[Ca+2],
,,,CA:B:1806,Part of Protein,,,,,[Ca+2],
,,,CA:B:1805,Part of Protein,,,,,[Ca+2],
,,,GOL:B:1802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1804,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1803,invalid,,,,,C(C(CO)O)O,
,,,GAL AAL AAL GAL GAL AAL AAL GAL:C:1,valid,,,,,O(C1C(O)C(OC2C3C(O)C(OC4C(O)C(CO)OCC4O)OC2CO3)OC(CO)C1O)C1C(O)C2C(O)C(O1)CO2.O(C1C(O)C(O)OC(CO)C1O)C1C(O)C2C(O)C(O1)CO2.O(C1C(O)C(CO)OCC1O)C1C(O)C2C(O)C(O1)CO2,
,,,GAL AAL:H:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C2C(O)C(O1)CO2,
,,4BQ3,,,,,,,
,,,GOL:D:1796,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1798,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1797,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1796,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1795,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1793,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1794,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1794,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1797,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1798,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1794,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1799,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1796,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1795,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1800,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1793,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1796,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1795,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1802,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1799,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1797,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1795,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1794,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1798,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1797,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1799,Part of Protein,,,,,[Ca+2],
,,,CA:B:1803,Part of Protein,,,,,[Ca+2],
,,,CA:C:1798,Part of Protein,,,,,[Ca+2],
,,,CA:D:1801,Part of Protein,,,,,[Ca+2],
,,,47N:D:1793,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,,,47N:A:1792,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,,,47N:B:1793,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,,,47N:C:1792,valid,,,,,C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O,
,Family. Representative Entry is ,1URX,,,,,,,
,,,AAL GAL AAL GAL AAL GAL AAL:C:1,valid,,,,,,
,,,CA:A:1300,Part of Protein,,,,,[Ca+2],
,,,GLA AAL GAL AAL:B:1,valid,,,,,,
1.2.1.88,,,,,,,,,
,Family. Representative Entry is ,4OE4,,,,,,,
,,,NAD:B:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6D97,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.7.1.230,,,,,,,,,
,Family. Representative Entry is ,6SUN,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,UAM:A:404,valid,,,,,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,ANP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6SUM,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,invalid,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ANP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,UAM:A:404,valid,,,,,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,UAM:B:404,valid,,,,,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6SV5,,,,,,,
,,,ATP:A:401,valid,Kd,=,50,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6SUL,,,,,,,
,,,ANP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,UAM:A:406,valid,Kd,=,80,nM,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,UAM:B:405,valid,Kd,=,80,nM,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,UAM:C:405,valid,Kd,=,80,nM,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,UAM:D:406,valid,Kd,=,80,nM,CC(C)C[C@@H]([C@@H]1Cc2cccc(c2C(=O)O1)O)NC(=O)[C@H]([C@H]([C@H](CC(=O)N)N)O)O,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
3.5.2.10,,,,,,,,,
,Family. Representative Entry is ,1V7Z,,,,,,,
,,,CRN:A:401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:B:3401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:C:4401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:D:5401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:E:6401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:F:7401,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:3300,Part of Protein,,,,,[Mn+2],
,,,MN:C:4300,Part of Protein,,,,,[Mn+2],
,,,MN:D:5300,Part of Protein,,,,,[Mn+2],
,,,MN:E:6300,Part of Protein,,,,,[Mn+2],
,,,MN:F:7300,Part of Protein,,,,,[Mn+2],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:4503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:6501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:6502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:6503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:7501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:7502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:7503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:5301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:6301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:7301,Part of Protein,,,,,[Zn+2],
,,3A6D,,,,,,,
,,,MGX:A:302,valid,,,,,[H]/N=C(/N)NC,
,,,MGX:B:303,valid,,,,,[H]/N=C(/N)NC,
,,,MGX:C:304,valid,,,,,[H]/N=C(/N)NC,
,,,MGX:D:305,valid,,,,,[H]/N=C(/N)NC,
,,,MGX:E:306,valid,,,,,[H]/N=C(/N)NC,
,,,MGX:F:307,valid,,,,,[H]/N=C(/N)NC,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:C:300,Part of Protein,,,,,[Mn+2],
,,,MN:D:300,Part of Protein,,,,,[Mn+2],
,,,MN:E:300,Part of Protein,,,,,[Mn+2],
,,,MN:F:300,Part of Protein,,,,,[Mn+2],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,3A6J,,,,,,,
,,,CRN:A:303,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:B:304,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:C:305,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:E:306,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,CRN:F:307,valid,,,,,CN(CC(=O)O)C(=N)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
1.2.1.2,,,,,,,,,
,Family. Representative Entry is ,1H0H,,,,,,,
,,,2MD:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,2MD:K:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,CA:A:1100,Part of Protein,,,,,[Ca+2],
,,,CA:K:1100,Part of Protein,,,,,[Ca+2],
,,,EPE:A:1200,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:K:1200,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MGD:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:K:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:1010,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1011,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1012,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1013,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:1010,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:1011,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:1012,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:1013,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:A:1003,invalid,,,,,*,
,,,UNX:K:1003,invalid,,,,,*,
,,,W:A:1000,Part of Protein,,,,,[W+6],
,,,W:K:1000,Part of Protein,,,,,[W+6],
,Family. Representative Entry is ,4XYB,,,,,,,
,,,AZI:B:402,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:402,invalid,,,,,[N-]=[N+]=[N-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4XYE,,,,,,,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6VW8,,,,,,,
,,,FES:C:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SF4:B:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,K:C:302,Part of Protein,,,,,[K+],
,,,K:A:302,Part of Protein,,,,,[K+],
,,,FMN:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5DN9,,,,,,,
,,,NAD:A:501,valid,Kd,=,92,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,Kd,=,92,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,AZI:A:502,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:502,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1KQF,,,,,,,
,,,6MO:A:1016,Part of Protein,,,,,[Mo+6],
,,,CDL:C:812,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,HEM:C:809,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:810,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MGD:A:1018,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1019,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,SF4:A:1017,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:805,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:806,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:807,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:808,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,6VW7,,,,,,,
,,,NAI:D:602,valid,Kd,=,190,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:602,valid,Kd,=,190,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,FES:C:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
5.3.1.6,,,,,,,,,
,Family. Representative Entry is ,1O8B,,,,,,,
,,,ABF:A:1269,valid,Ki,=,2.1,mM,C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,ABF:B:1269,valid,Ki,=,2.1,mM,C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3PH4,,,,,,,
,,,AOS:A:1655,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,,AOS:B:1655,valid,,,,,C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O,
,,3PH3,,,,,,,
,,,RB5:A:150,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RB5:B:150,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)O,
,Family. Representative Entry is ,1UJ5,,,,,,,
,,,5RP:A:302,valid,Ki,=,0.89,mM,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,1UJ6,,,,,,,
,,,A5P:A:228,valid,Ki,=,0.89,mM,C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1M0S,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,2BES,,,,,,,
,,,RES:A:200,valid,Ki,=,0.057,mM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:B:200,valid,Ki,=,0.057,mM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:C:200,valid,Ki,=,0.057,mM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:D:200,valid,Ki,=,0.057,mM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:E:200,valid,Ki,=,0.057,mM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,2VVQ,,,,,,,
,,,R10:A:200,valid,,,,,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,R10:B:200,valid,,,,,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,R10:C:200,valid,,,,,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,R10:D:200,valid,,,,,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,R10:E:200,valid,,,,,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)OP(=O)(O)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VVO,,,,,,,
,,,A6P:A:200,valid,ic50,=,6.3,mM,C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,A6P:B:200,valid,ic50,=,6.3,mM,C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,A6P:C:200,valid,ic50,=,6.3,mM,C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,A6P:D:200,valid,ic50,=,6.3,mM,C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,A6P:E:200,valid,ic50,=,6.3,mM,C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,2VVP,,,,,,,
,,,5RP:A:300,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:300,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:C:300,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:D:300,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:E:300,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,R52:A:200,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:B:200,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:C:200,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:D:200,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:E:200,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,2BET,,,,,,,
,,,DEZ:A:200,valid,Ki,=,1.7,mM,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DEZ:B:200,valid,Ki,=,1.7,mM,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DEZ:C:200,valid,Ki,=,1.7,mM,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DEZ:D:200,valid,Ki,=,1.7,mM,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DEZ:E:200,valid,Ki,=,1.7,mM,C([C@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3HEE,,,,,,,
,,,R5P:A:651,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:B:0,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1LK7,,,,,,,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:A:2005,invalid,,,,,[Cl-],
,,,CL:A:2009,invalid,,,,,[Cl-],
,,,CL:B:2002,invalid,,,,,[Cl-],
,,,CL:B:2006,invalid,,,,,[Cl-],
,,,CL:B:2010,invalid,,,,,[Cl-],
,,,CL:C:2003,invalid,,,,,[Cl-],
,,,CL:C:2007,invalid,,,,,[Cl-],
,,,CL:D:2004,invalid,,,,,[Cl-],
,,,CL:D:2008,invalid,,,,,[Cl-],
,,,DER:A:1001,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DER:B:1002,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DER:C:1003,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,DER:D:1004,valid,,,,,C([C@@H]([C@H](C(=O)O)O)O)OP(=O)(O)O,
,,,NA:A:2011,Part of Protein,,,,,[Na+],
,,,NA:C:2012,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3ENV,,,,,,,
,,,ABF:A:1269,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,ABF:B:1269,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,3ENW,,,,,,,
,,,5RP:A:702,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:703,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3K7S,,,,,,,
,,,R52:A:160,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:B:160,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:C:160,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,,R52:D:160,valid,,,,,C([C@H]([C@H]([C@H](C=O)O)O)O)OP(=O)(O)O,
,,3K8C,,,,,,,
,,,RES:A:160,valid,,,,,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:B:160,valid,,,,,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
3.4.21.22,,,,,,,,,
,Family. Representative Entry is ,5EGM,,,,,,,
,,,5NY:A:303,valid,Ki,=,2.4,nM,Cc1ccc2c(c1)c(c3n2C[C@](CC3)(c4ccccc4)NC(=O)c5ccc(cc5Cl)n6cnnc6)c7[nH]nnn7,
,,,NHE:A:302,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,6X5P,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:305,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:304,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,UQD:A:301,valid,ic50,=,30,nM,[H]/N=C(c1ccc(c(c1)Cl)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N,
,,4ZAE,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,4M1:A:301,valid,Ki,=,3.6,nM,Cc1cc2c(cc1C)nc([nH]2)[C@@H](CNC(=O)c3c(cc(cc3Cl)n4cnnc4)Cl)c5ccccc5,
,,,NHE:A:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,5TNT,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,7GQ:A:301,valid,ic50,=,4.9,nM,Cc1ncn(n1)c2ccc(c(c2)Cl)C(=O)N[C@@H]3[C@H]4CC[C@@H]3N(C4)c5c6c(c(cn5)Cl)c(no6)N,
,,,NHE:A:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,6X5L,,,,,,,
,,,CIT:A:306,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:305,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:304,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,UQG:A:301,valid,ic50,=,44,nM,[H]/N=C(c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3)C)O)/N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,4Z0K,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,4LN:A:301,valid,Ki,=,0.462,uM,Cc1ccc(c2n1nc3c2C[C@](CC3)(C)NC(=O)c4ccc(cc4)n5cnnc5)O,
,,,NHE:A:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,CL:B:201,invalid,,,,,[Cl-],
,,3LC3,,,,,,,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,CA:C:246,Part of Protein,,,,,[Ca+2],
,,,IYX:A:1,valid,Ki,=,5.9,uM,COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N,
,,,IYX:A:2,valid,Ki,=,5.9,uM,COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N,
,,,IYX:C:1,valid,Ki,=,5.9,uM,COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N,
,,,IYX:C:2,valid,Ki,=,5.9,uM,COc1ccc(cc1OC)c2ccc3c(c2)cc(s3)C(N)N,
,,4YZU,,,,,,,
,,,4K6:A:301,valid,Ki,=,9,uM,Cc1cc2c(cc1C)nc([nH]2)CCNC(=O)c3ccc(cc3)n4cnnc4,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NHE:A:303,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,CL:B:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6MV4,,,,,,,
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:H:311,Part of Protein,,,,,[Ca+2],
,,,EDO:H:307,invalid,,,,,C(CO)O,
,,,EDO:H:308,invalid,,,,,C(CO)O,
,,,FMT:H:309,invalid,,,,,C(=O)O,
,,,CL:H:315,invalid,,,,,[Cl-],
,,,CL:H:313,invalid,,,,,[Cl-],
,,,CL:H:314,invalid,,,,,[Cl-],
,,,PBZ:H:310,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,,,NA:H:312,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3KCG,,,,,,,
,,,CA:H:500,Part of Protein,,,,,[Ca+2],
,,,MPD:I:5276,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:5277,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG FUC:A:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,Z9L Z9K GU6 GU1 Z9H:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC)C(OC)C(OS(=O)(=O)[O-])C(OC2C(OC)C(OC)C(OC3C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OC4C(OC)C(OS(=O)(=O)[O-])C(OC5C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OC)OC5COS(=O)(=O)[O-])OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
4.1.99.5,,,,,,,,,
,Family. Representative Entry is ,4PGK,,,,,,,
,,,Y69:A:303,valid,,,,,CCOCCOCCOCCCCCCCCCCC=O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,4PG1,,,,,,,
,,,Y39:A:303,valid,,,,,CCCCCCCCC[C@H]1C[C@@H]1C(=O)O,
,,,Y39:A:304,valid,,,,,CCCCCCCCC[C@H]1C[C@@H]1C(=O)O,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,4PGI,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,ARG MET ALA ALA ALA ALA LEU:A:235,invalid,,,,,,
,,,Y69:A:303,valid,,,,,CCOCCOCCOCCCCCCCCCCC=O,
,,4TW3,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,STE:A:303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,4PG0,,,,,,,
,,,Y39:A:303,valid,,,,,CCCCCCCCC[C@H]1C[C@@H]1C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,4KVS,,,,,,,
,,,FE:A:303,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,6NA:A:301,valid,,,,,CCCCCC(=O)O,
,,4KVQ,,,,,,,
,,,PLM:A:303,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,4KVR,,,,,,,
,,,FE:A:303,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,6NA:A:301,valid,,,,,CCCCCC(=O)O,
,Family. Representative Entry is ,4RC8,,,,,,,
,,,STE:A:301,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,FE:A:303,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,4RC7,,,,,,,
,,,PL3:B:1001,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:A:1001,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,FE2:A:1003,Part of Protein,,,,,[Fe+2],
,,,FE2:B:1002,Part of Protein,,,,,[Fe+2],
,,,FE2:A:1002,Part of Protein,,,,,[Fe+2],
,,,FE2:B:1003,Part of Protein,,,,,[Fe+2],
,,4QUW,,,,,,,
,,,PL3:A:1001,valid,,,,,CCCCCCCCCCCCCCCCO,
,,4RC5,,,,,,,
,,,PL3:B:1001,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,PL3:A:1001,valid,,,,,CCCCCCCCCCCCCCCCO,
,,,FE2:A:1003,Part of Protein,,,,,[Fe+2],
,,,FE2:A:1002,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,5K52,,,,,,,
,,,OCD:A:500,valid,,,,,CCCCCCCCCCCCCCCCCC=O,
,,,OCD:C:500,valid,,,,,CCCCCCCCCCCCCCCCCC=O,
1.14.13.92,,,,,,,,,
,Family. Representative Entry is ,4D04,,,,,,,
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P6G:A:1544,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1543,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1W4X,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4C74,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,N01:A:701,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O,
,,,P6G:A:1543,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2YLZ,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1544,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D03,,,,,,,
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P6G:A:1546,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1547,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1543,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2YLX,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:702,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2YM1,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1543,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,OXY:A:1544,invalid,,,,,O=O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PG4:A:1545,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1546,invalid,,,,,C(COCCOCCO)O,
,,2YLS,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4OVI,,,,,,,
,,,N01:A:602,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:604,invalid,,,,,[Cl-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,2YLR,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.2.1.123,,,,,,,,,
,Family. Representative Entry is ,2OYL,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,IDC:A:600,valid,Ki,=,0.5,uM,c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,IDC:B:600,valid,Ki,=,0.5,uM,c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,2OSX,,,,,,,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,BGC 16C GAL SIA:B:1,valid,,,,,O=C(NC(C(O)C=CCCC)COC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)O1)CCCCCCCC,
,,2OYM,,,,,,,
,,,MNI:A:600,valid,Ki,=,10,uM,CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O,
,,,MNI:B:600,valid,Ki,=,10,uM,CN(C)c1ccc(cc1)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](N2)CO)O)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,2OYK,,,,,,,
,,,9MR:A:600,valid,Ki,=,5,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,,9MR:B:600,valid,Ki,=,5,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
3.4.24.21,,,,,,,,,
,Family. Representative Entry is ,1QJI,,,,,,,
,,,PKF:A:1202,valid,Ki,=,14,uM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)N[P@@](=O)([C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]3CCCN3C(=O)OCc4ccccc4)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,1QJJ,,,,,,,
,,,PRO LEU GLY HOA:B:301,valid,,,,,O=C(NCC(=O)NO)C(NC(=O)C1[NH2+]CCC1)CC(C)C,
,,,ZN:A:250,Part of Protein,,,,,[Zn+2],
2.1.-.-,,,,,,,,,
,Family. Representative Entry is ,1NXJ,,,,,,,
,,,GLV:A:741,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:742,valid,,,,,C(=O)C(=O)O,
,,,GLV:C:743,valid,,,,,C(=O)C(=O)O,
,,,TLA:A:391,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:392,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:393,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
3.2.2.21,,,,,,,,,
,Family. Representative Entry is ,1PVS,,,,,,,
,,,7HP:A:800,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
,,,7HP:B:700,valid,,,,,c1c2c(c(ncn2)O)[nH]n1,
4.99.1.5,,,,,,,,,
,Family. Representative Entry is ,3A16,,,,,,,
,,,HEM:A:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MG:B:356,invalid,,,,,[Mg+2],
,,,MG:D:356,invalid,,,,,[Mg+2],
,,,PXO:A:355,valid,,,,,CCC=N/O,
,,,PXO:B:355,valid,,,,,CCC=N/O,
,,,PXO:C:355,valid,,,,,CCC=N/O,
,,,PXO:D:355,valid,,,,,CCC=N/O,
,,3A17,,,,,,,
,,,BXO:A:355,valid,,,,,CCCC=N/O,
,,,BXO:B:355,valid,,,,,CCCC=N/O,
,,,BXO:C:355,valid,,,,,CCCC=N/O,
,,,BXO:D:355,valid,,,,,CCCC=N/O,
,,,BXO:E:355,valid,,,,,CCCC=N/O,
,,,BXO:F:355,valid,,,,,CCCC=N/O,
,,,BXO:G:355,valid,,,,,CCCC=N/O,
,,,BXO:H:355,valid,,,,,CCCC=N/O,
,,,HEM:A:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3A18,,,,,,,
,,,BXO:A:355,valid,,,,,CCCC=N/O,
,,,BXO:B:355,valid,,,,,CCCC=N/O,
,,,BXO:C:355,valid,,,,,CCCC=N/O,
,,,BXO:D:355,valid,,,,,CCCC=N/O,
,,,HEM:A:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:354,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
3.4.22.55,,,,,,,,,
,Family. Representative Entry is ,3R5J,,,,,,,
,,,ACE ALA ASP VAL ALA ASA:E:401,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(=O)[O-])C)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CC(=O)[O-])C(C)C,
,,,ACE ALA ASP VAL ALA ASA:F:401,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(=O)[O-])C)C(NC(=O)C(NC(=O)C(NC(=O)C)C)CC(=O)[O-])C(C)C,
5.4.2.7,,,,,,,,,
,Family. Representative Entry is ,3UN3,,,,,,,
,,,G16:A:399,valid,Kd,=,0.23,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,G16:C:399,valid,Kd,=,0.23,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,MN:A:395,Part of Protein,,,,,[Mn+2],
,,,MN:A:396,Part of Protein,,,,,[Mn+2],
,,,MN:A:397,Part of Protein,,,,,[Mn+2],
,,,MN:B:395,Part of Protein,,,,,[Mn+2],
,,,MN:B:396,Part of Protein,,,,,[Mn+2],
,,,MN:B:397,Part of Protein,,,,,[Mn+2],
,,,MN:B:398,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,,MN:C:395,Part of Protein,,,,,[Mn+2],
,,,MN:C:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:397,Part of Protein,,,,,[Mn+2],
,,,MN:C:398,Part of Protein,,,,,[Mn+2],
,,4LR8,,,,,,,
,,,HSX:A:407,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,HSX:A:406,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,TRS:A:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,4LRF,,,,,,,
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,invalid,,,,,[Mn+2],
,,,MN:B:405,Part of Protein,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,HSX:A:407,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,HSX:A:406,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,4LR9,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,invalid,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,1X4:A:405,valid,,,,,C1C[C@H](O[C@@H]1COP(=O)(O)O)O,
,,3M8Z,,,,,,,
,,,ACT:A:399,invalid,,,,,CC(=O)[O-],
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:399,invalid,,,,,C(C(CO)O)O,
,,,HSX:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,HSX:A:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)OP(=O)(O)O,
,,,MN:A:395,Part of Protein,,,,,[Mn+2],
,,,MN:A:396,Part of Protein,,,,,[Mn+2],
,,,MN:A:397,Part of Protein,,,,,[Mn+2],
,,,MN:B:395,Part of Protein,,,,,[Mn+2],
,,,MN:B:396,Part of Protein,,,,,[Mn+2],
,,,MN:B:397,Part of Protein,,,,,[Mn+2],
,,,MN:C:395,Part of Protein,,,,,[Mn+2],
,,,MN:C:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:397,Part of Protein,,,,,[Mn+2],
,,,TRS:A:398,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:398,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3OT9,,,,,,,
,,,G16:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:398,invalid,,,,,C(C(CO)O)O,
,,,MN:A:395,Part of Protein,,,,,[Mn+2],
,,,MN:A:396,Part of Protein,,,,,[Mn+2],
,,,MN:A:397,Part of Protein,,,,,[Mn+2],
,,,MN:B:395,Part of Protein,,,,,[Mn+2],
,,,MN:B:396,Part of Protein,,,,,[Mn+2],
,,,MN:B:397,Part of Protein,,,,,[Mn+2],
,,,MN:C:395,Part of Protein,,,,,[Mn+2],
,,,MN:C:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:397,Part of Protein,,,,,[Mn+2],
,,3UO0,,,,,,,
,,,G16:A:398,valid,Kd,=,0.47,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,MN:A:395,Part of Protein,,,,,[Mn+2],
,,,MN:A:396,Part of Protein,,,,,[Mn+2],
,,,MN:A:397,Part of Protein,,,,,[Mn+2],
,,,MN:B:395,Part of Protein,,,,,[Mn+2],
,,,MN:B:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:395,Part of Protein,,,,,[Mn+2],
,,,MN:C:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:397,Part of Protein,,,,,[Mn+2],
,,,TRS:A:399,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4LRE,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,invalid,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,1X4:A:404,valid,,,,,C1C[C@H](O[C@@H]1COP(=O)(O)O)O,
,,4LRB,,,,,,,
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,invalid,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,1X4:A:404,valid,,,,,C1C[C@H](O[C@@H]1COP(=O)(O)O)O,
3.4.24.3,,,,,,,,,
,Family. Representative Entry is ,4ARE,,,,,,,
,,,TRS:A:1793,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,P6G:A:1791,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZN:A:1790,Part of Protein,,,,,[Zn+2],
,,,FLC:A:1792,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,5O7E,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,9NB:A:803,valid,ic50,=,0.017,uM,CC(=O)c1ccc(cc1)NC(=O)CS,
,,4ARF,,,,,,,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,IP8 GLY PRO ALA:B:1,valid,,,,,P(=O)(OCCC(C)C)([O-])NCC=O.O=C([O-])C(NC(=O)C1[NH2+]CCC1)C,
2.5.1.96,,,,,,,,,
,Family. Representative Entry is ,2ZCQ,,,,,,,
,,,B65:A:451,valid,Ki,=,1.5,nM,c1ccc(cc1)Oc2cccc(c2)CCC[C@H](P(=O)(O)O)S(=O)(=O)O,
,,,MG:A:452,Part of Protein,,,,,[Mg+2],
,,,MG:A:453,Part of Protein,,,,,[Mg+2],
,,4EA0,,,,,,,
,,,651:A:306,valid,,,,,c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O,
,,,651:B:305,valid,,,,,c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,POP:A:304,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:304,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,TLA:A:305,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2ZCR,,,,,,,
,,,B69:A:668,valid,Ki,=,135,nM,CCCCc1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K],
,,,MG:A:669,Part of Protein,,,,,[Mg+2],
,,4F6X,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,TAR:A:305,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,ZYL:A:301,valid,ic50,=,45.3,uM,CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O)O)O,
,,3TFP,,,,,,,
,,,03L:A:303,valid,,,,,c1ccc(c(c1)C(=O)NCc2c(cccc2Cl)Sc3ccc(cc3Cl)Cl)C(=O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2ZCS,,,,,,,
,,,B70:A:640,valid,Ki,=,6,nM,c1ccc(cc1)c2ccc(cc2)CCC[C@H](P(=O)(O[K])O[K])S(=O)(=O)O[K],
,,2ZY1,,,,,,,
,,,830:A:808,valid,Ki,=,0.04,uM,c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CP(=O)(O[K])O[K],
,,3W7F,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,FPS:B:301,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:302,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:302,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:A:301,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3AE0,,,,,,,
,,,GGS:A:1002,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:B:1004,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:A:1001,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,GGS:B:1003,valid,,,,,CC(=CCC/C(=C/CCC(=CCCC(=CCS[P@@](=O)(O)OP(=O)(O)O)C)C)/C)C,
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:B:1009,invalid,,,,,[Mg+2],
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,MG:A:1007,Part of Protein,,,,,[Mg+2],
,,,MG:B:1008,Part of Protein,,,,,[Mg+2],
,,,MG:B:1010,Part of Protein,,,,,[Mg+2],
,,3ACX,,,,,,,
,,,673:A:1001,valid,,,,,CC(C)NCCCOc1ccc(cc1CC=C)c2ccccc2,
,,3TFN,,,,,,,
,,,2CJ:A:301,valid,Ki,=,0.27,uM,c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(=O)CC4(CCCC4)CC(=O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4E9U,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,RWY:A:301,valid,Ki,=,1.5,uM,c1ccc(cc1)Oc2ccc(cc2)OCCSC#N,
,,4F6V,,,,,,,
,,,FJP:A:303,invalid,,,,,CC(=CCC/C(=CCC/C(=C/COP(=O)(O)O)/C)/C)C,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,SRT:A:302,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZYM:A:301,valid,ic50,=,24,uM,c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O)O,
,,3NPR,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:288,Part of Protein,,,,,[Mg+2],
,,,PS7:A:1001,valid,,,,,CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3ADZ,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,PS7:A:1001,valid,,,,,CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3LGZ,,,,,,,
,,,MG:B:289,Part of Protein,,,,,[Mg+2],
,,,MG:B:290,Part of Protein,,,,,[Mg+2],
,,,PS7:B:288,valid,,,,,CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C@]1(C)CC/C=C(C)/CCC=C(C)C)CO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,3ACY,,,,,,,
,,,702:A:1001,valid,,,,,c1ccc(cc1)Cc2ccccc2Oc3cccc(c3)CCC[C@H](P(=O)(O)O)S(=O)(=O)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,4EA1,,,,,,,
,,,3RX:A:301,valid,Ki,=,0.36,uM,CC(=CCC/C(=C/CNCCNC1C2CC3CC(C2)CC1C3)/C)C,
,,4EA2,,,,,,,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,RWZ:A:301,valid,Ki,=,0.36,uM,CC(=CCC/C(=CCNCCNC1C2CC3CC(C2)CC1C3)/C)C,
,,,SRT:A:302,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4E9Z,,,,,,,
,,,651:A:301,valid,,,,,c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O,
,,3ACW,,,,,,,
,,,651:A:1001,valid,,,,,c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O,
3.4.23.20,,,,,,,,,
,Family. Representative Entry is ,1BXO,,,,,,,
,,,GOL:A:325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:326,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:328,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:329,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP7:A:324,valid,Ki,=,0.1,nM,CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)NCc2cccc(c2)C[C@H](O[P@]1(=O)O)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C,
,,,SO4:A:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PPM,,,,,,,
,,,0P1:E:324,valid,Ki,=,1600,nM,C[C@@H](C(=O)N[C@@H](CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)[C@H](C)NC(=O)OCc2ccccc2,
,,,ARA:E:330,Part of Protein,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,MAN:E:329,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:E:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WED,,,,,,,
,,,MAN:A:324,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:325,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP6:A:327,valid,Ki,=,0.8,uM,CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC,
,,,SO4:A:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1APU,,,,,,,
,,,MAN:I:401,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,IVA VAL VAL 32L:I:4,valid,Ki,=,1.6,nM,O=C(NC(C(=O)NC(C(O)CC(=O)OCC)CC(C)C)C(C)C)C(NC(=O)CC(C)C)C(C)C,
,,2WEC,,,,,,,
,,,MAN:A:324,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:325,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP5:A:326,valid,Ki,=,110,uM,CC(C)[C@@H](C(=O)NC[P@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)OC)NC(=O)Cc2cccc3c2cccc3,
,,,SO4:A:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1APW,,,,,,,
,,,DMF:I:587,invalid,,,,,CN(C)C=O,
,,,HSY:E:399,Part of Protein,,,,,C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,IVA VAL VAL DFI NME:I:4,valid,Ki,=,10,nM,FC(F)(C(=O)NC)C(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C,
,,,MAN:E:328,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:E:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PPL,,,,,,,
,,,1Z7:E:324,valid,Ki,=,2.8,nM,CC(C)C[C@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC,
,,,MAN:E:329,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:E:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYS:E:330,Part of Protein,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,2WEB,,,,,,,
,,,MAN:A:324,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:325,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP4:A:326,valid,Ki,=,7.6,uM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc2ccccc2c1)[P@@](=O)([O-])O[C@@H](Cc3ccccc3)C(=O)OC)NC=O,
,,,SO4:A:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WEA,,,,,,,
,,,MAN:A:324,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:325,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP6:A:326,valid,,,,,CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc3cccc(c3c2)CC(=O)N1)[P@@](=O)([O-])O[C@@H](Cc4ccccc4)C(=O)OC,
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1APT,,,,,,,
,,,IVA VAL VAL LTA:I:4,valid,,,,,O=C(NC(C(=O)NC(C(O)CC(=O)OCC)CCCC[NH3+])C(C)C)C(NC(=O)CC(C)C)C(C)C,
,,,MAN:E:334,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1PPK,,,,,,,
,,,DMF:E:327,invalid,,,,,CN(C)C=O,
,,,HSY:E:325,Part of Protein,,,,,C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,IVV:E:700,valid,Ki,=,22,nM,CCOC(=O)C[P@](=O)([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,
,,,MAN:E:324,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:E:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BXQ,,,,,,,
,,,ACT:A:330,invalid,,,,,CC(=O)[O-],
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:329,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:331,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:332,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,PP8:A:324,valid,Ki,=,42,nM,CC(C)C[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)[P@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC,
,,,SO4:A:325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1APV,,,,,,,
,,,DMF:I:587,invalid,,,,,CN(C)C=O,
,,,IVA VAL VAL DFO NME:I:4,valid,Ki,=,1,nM,FC(F)(C(=O)NC)C(O)(O)C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)CC(C)C,
,,,MAN:E:328,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:E:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYS:E:399,Part of Protein,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
3.1.4.37,,,,,,,,,
,Family. Representative Entry is ,2XMI,,,,,,,
,,,FLC:A:1379,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:1380,invalid,,,,,C(C(CO)O)O,
,,4WDD,,,,,,,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,4WFR,,,,,,,
,,,2AM:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,2YPH,,,,,,,
,,,ACT:A:1379,invalid,,,,,CC(=O)[O-],
,,,CL:A:1380,invalid,,,,,[Cl-],
,,,QQY:A:1381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=O)(O4)S)N,
,,2YP0,,,,,,,
,,,OVE:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N,
,,,OVE:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ACY:A:405,invalid,,,,,CC(=O)O,
,,3ZBS,,,,,,,
,,,OVE:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N,
,,,CL:A:1379,invalid,,,,,[Cl-],
,,2YDB,,,,,,,
,,,NAP:A:1379,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2Y1P,,,,,,,
,,,CIT:A:1379,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:1380,invalid,,,,,C(C(CO)O)O,
,,4WDB,,,,,,,
,,,2AM:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,CL:A:402,invalid,,,,,[Cl-],
,,3ZBR,,,,,,,
,,,NAP:B:1379,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1379,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2YPE,,,,,,,
,,,ACY:A:1381,invalid,,,,,CC(=O)O,
,,,ACY:A:1379,invalid,,,,,CC(=O)O,
,,,ACK:A:1382,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,CL:A:1380,invalid,,,,,[Cl-],
,,4WDG,,,,,,,
,,,A2P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,2YQ9,,,,,,,
,,,2AM:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,4WCA,,,,,,,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:408,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,4WDA,,,,,,,
,,,2AM:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,2YOZ,,,,,,,
,,,CL:A:1385,invalid,,,,,[Cl-],
,,,ACT:A:1386,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1383,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1382,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1380,invalid,,,,,C(C(CO)O)O,
,,,OVE:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N,
,,,1PE:A:1381,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,2YDD,,,,,,,
,,,2AM:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,4WDF,,,,,,,
,,,A2P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,2YPC,,,,,,,
,,,QQX:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[P@](=S)(O4)O)N,
,,3ZBZ,,,,,,,
,,,OVE:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)S)N,
,,,ACY:A:1379,invalid,,,,,CC(=O)O,
1.1.3.2,,,,,,,,,
,Family. Representative Entry is ,2NLI,,,,,,,
,,,FMN:A:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LAC:A:1376,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:2376,valid,,,,,C[C@H](C(=O)O)O,
,,,PEO:A:1377,invalid,,,,,OO,
,,,PEO:B:2377,invalid,,,,,OO,
,,2J6X,,,,,,,
,,,FMN:A:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:1375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:D:1376,Part of Protein,,,,,[Zn+2],
,,4YL2,,,,,,,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PYR:A:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:402,valid,,,,,CC(=O)C(=O)O,
,,2DU2,,,,,,,
,,,FMN:A:512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:2512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:3512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2E77,,,,,,,
,,,FMN:A:4512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:2512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:3512,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PYR:A:4442,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1442,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:3442,valid,,,,,CC(=O)C(=O)O,
,,2ZFA,,,,,,,
,,,EDO:A:376,invalid,,,,,C(CO)O,
,,,EDO:B:376,invalid,,,,,C(CO)O,
,,,FMN:A:375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:375,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4RJE,,,,,,,
,,,PYR:A:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:402,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:402,valid,,,,,CC(=O)C(=O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,FNR:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4CNK,,,,,,,
,,,SO4:B:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,MEU:B:1393,valid,Kd,=,2.8,mM,COC(=O)CN,
,,,MEU:A:1393,valid,Kd,=,2.8,mM,COC(=O)CN,
,,,MEU:B:1394,valid,Kd,=,2.8,mM,COC(=O)CN,
,,,FAD:B:1392,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1392,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.13.11.27,,,,,,,,,
,Family. Representative Entry is ,6JX9,,,,,,,
,,,CQC:A:501,valid,Ki,=,0.00392,uM,CC1=NN(C(=O)/C1=C(/c2ccc3c(c2)C(=O)N(C3=O)Cc4ccccc4)O)C,
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,1TFZ,,,,,,,
,,,869:A:551,valid,ic50,=,7,nM,Cc1c(ccc(c1c2ccc(cc2)OC)S(=O)(=O)C)C(=O)c3cnn(c3O)C(C)(C)C,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,5YY6,,,,,,,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,94L:A:502,valid,Ki,=,24.16,nM,Cc1cccc(c1N2C(=O)c3cc(ccc3N(C2=O)C)C(=O)C4=C(CCCC4=O)O)C,
,,6LGT,,,,,,,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,ED3:A:502,valid,ic50,=,84,nM,Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(=O)c4c(nn(c4O)C)C,
,,1TG5,,,,,,,
,,,645:A:501,valid,ic50,=,12,nM,CC(C)(C)n1c(c(c(n1)c2ccc(cc2Cl)Cl)C(=O)c3ccc(cc3Cl)S(=O)(=O)C)O,
,,,FE2:A:500,Part of Protein,,,,,[Fe+2],
3.4.19.9,,,,,,,,,
,Family. Representative Entry is ,4L8F,,,,,,,
,,,MTX:D:301,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:301,valid,,,,,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4L8W,,,,,,,
,,,MTX DGL DGL:G:301,valid,,,,,O=C([O-])C(NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(N(CC=2Nc3c(N)nc(N)nc3NC=2)C)cc1)C(=O)[O-])C(=O)[O-])CCC(=O)[O-],
,,,MTX DGL DGL:I:301,valid,,,,,O=C([O-])C(NC(=O)CCC(NC(=O)CCC(NC(=O)c1ccc(N(CC=2Nc3c(N)nc(N)nc3NC=2)C)cc1)C(=O)[O-])C(=O)[O-])CCC(=O)[O-],
1.14.99.6,,,,,,,,,
,Family. Representative Entry is ,2UW1,,,,,,,
,,,FE:A:1359,Part of Protein,,,,,[Fe+3],
,,,FE:A:1360,Part of Protein,,,,,[Fe+3],
,,,FE:B:1359,Part of Protein,,,,,[Fe+3],
,,,FE:B:1360,Part of Protein,,,,,[Fe+3],
,,,GVM:A:1362,valid,,,,,CC(C)(C)C[C@H](CC(=O)O)O,
,,,GVM:B:1362,valid,,,,,CC(C)(C)C[C@H](CC(=O)O)O,
,,,NA:A:1361,Part of Protein,,,,,[Na+],
,,,NA:B:1361,Part of Protein,,,,,[Na+],
3.3.2.9,,,,,,,,,
,Family. Representative Entry is ,3G0I,,,,,,,
,,,VPR:A:1,valid,,,,,CCCC(CCC)C(=O)N,
,,,VPR:B:1,valid,,,,,CCCC(CCC)C(=O)N,
2.3.1.30,,,,,,,,,
,Family. Representative Entry is ,3P47,,,,,,,
,,,CYS:A:314,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SSQ,,,,,,,
,,,CYS:A:2000,valid,Ki,=,1,uM,C([C@@H](C(=O)O)N)S,
,,,CYS:A:2001,valid,Ki,=,1,uM,C([C@@H](C(=O)O)N)S,
,,,MG:A:4001,Part of Protein,,,,,[Mg+2],
,,,MG:D:4000,Part of Protein,,,,,[Mg+2],
,,1SST,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4N69,,,,,,,
,,,SER:A:301,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:B:501,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1T3D,,,,,,,
,,,CYS:B:501,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:601,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:701,valid,,,,,C([C@@H](C(=O)O)N)S,
1.2.1.79,,,,,,,,,
,Family. Representative Entry is ,4YWV,,,,,,,
,,,SSN:B:501,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SSN:A:502,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SSN:B:502,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SSN:A:501,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OHT,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4YWU,,,,,,,
,,,SSN:B:501,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SSN:A:501,valid,Ki,=,0.1,mM,C(CC(=O)O)C=O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.11.26,,,,,,,,,
,Family. Representative Entry is ,6A9T,,,,,,,
,,,JEF:A:604,invalid,,,,,C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,GLY:A:603,valid,,,,,C(C(=O)O)N,
,,6A9U,,,,,,,
,,,01B PRO PRO ALA NH2:B:1,valid,,,,,O=C(C(O)C([NH3+])Cc1ccccc1)N1C(C(=O)N2C(C(=O)NC(C=O)C)CCC2)CCC1,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
2.8.1.2,,,,,,,,,
,Family. Representative Entry is ,4JGT,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PYR:C:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:401,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:401,valid,,,,,CC(=O)C(=O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
2.7.1.73,,,,,,,,,
,Family. Representative Entry is ,6VWO,,,,,,,
,,,GMP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.3.1.37,,,,,,,,,
,Family. Representative Entry is ,2BWN,,,,,,,
,,,ACY:B:1397,invalid,,,,,CC(=O)O,
,,,ACY:D:1398,invalid,,,,,CC(=O)O,
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,CL:E:1402,invalid,,,,,[Cl-],
,,,FMT:E:1401,invalid,,,,,C(=O)O,
,,,SIN:A:1398,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:1399,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:E:1400,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SO4:B:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5TXR,,,,,,,
,,,PLP:A:609,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:605,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,K:A:602,Part of Protein,,,,,[K+],
6.3.1.2,,,,,,,,,
,Family. Representative Entry is ,2OJW,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:A:1405,invalid,,,,,[Cl-],
,,,CL:B:1401,invalid,,,,,[Cl-],
,,,CL:C:1402,invalid,,,,,[Cl-],
,,,CL:D:1404,invalid,,,,,[Cl-],
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:D:403,Part of Protein,,,,,[Mn+2],
,,,MN:D:404,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:402,Part of Protein,,,,,[Mn+2],
,,,MN:E:403,Part of Protein,,,,,[Mn+2],
,,,MN:E:404,Part of Protein,,,,,[Mn+2],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1F52,,,,,,,
,,,ADP:A:4471,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:4472,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4473,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:4474,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:4476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4477,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:4478,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:4479,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:4480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:4481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:4482,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:469,Part of Protein,,,,,[Mn+2],
,,,MN:A:470,Part of Protein,,,,,[Mn+2],
,,,MN:B:469,Part of Protein,,,,,[Mn+2],
,,,MN:B:470,Part of Protein,,,,,[Mn+2],
,,,MN:C:469,Part of Protein,,,,,[Mn+2],
,,,MN:C:470,Part of Protein,,,,,[Mn+2],
,,,MN:D:469,Part of Protein,,,,,[Mn+2],
,,,MN:D:470,Part of Protein,,,,,[Mn+2],
,,,MN:E:469,Part of Protein,,,,,[Mn+2],
,,,MN:E:470,Part of Protein,,,,,[Mn+2],
,,,MN:F:469,Part of Protein,,,,,[Mn+2],
,,,MN:F:470,Part of Protein,,,,,[Mn+2],
,,,MN:G:469,Part of Protein,,,,,[Mn+2],
,,,MN:G:470,Part of Protein,,,,,[Mn+2],
,,,MN:H:469,Part of Protein,,,,,[Mn+2],
,,,MN:H:470,Part of Protein,,,,,[Mn+2],
,,,MN:I:469,Part of Protein,,,,,[Mn+2],
,,,MN:I:470,Part of Protein,,,,,[Mn+2],
,,,MN:J:469,Part of Protein,,,,,[Mn+2],
,,,MN:J:470,Part of Protein,,,,,[Mn+2],
,,,MN:K:469,Part of Protein,,,,,[Mn+2],
,,,MN:K:470,Part of Protein,,,,,[Mn+2],
,,,MN:L:469,Part of Protein,,,,,[Mn+2],
,,,MN:L:470,Part of Protein,,,,,[Mn+2],
,,,MPD:A:5472,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:5481,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:5471,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:5474,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:5473,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:5476,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:5475,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:5478,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:5477,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:5480,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:5479,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:5482,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:5484,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:5485,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:5486,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:5487,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:5488,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:5489,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:J:5490,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:J:5491,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:5492,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:5493,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:L:5483,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:L:5494,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,3ZXR,,,,,,,
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:E:507,invalid,,,,,[Cl-],
,,,CL:F:507,invalid,,,,,[Cl-],
,,,IQ1:A:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,IQ1:B:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,IQ1:C:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,IQ1:D:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,IQ1:E:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,IQ1:F:501,valid,ic50,=,0.02,uM,CC(C)(C)c1[nH]c(c(n1)c2cc3ccccc3nc2)c4ccncc4,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:504,Part of Protein,,,,,[Mg+2],
,,,P3S:A:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:B:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:C:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:D:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:E:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:F:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ZXV,,,,,,,
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:E:507,invalid,,,,,[Cl-],
,,,CL:F:507,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:504,Part of Protein,,,,,[Mg+2],
,,,MXI:A:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,MXI:B:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,MXI:C:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,MXI:D:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,MXI:E:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,MXI:F:501,valid,ic50,=,0.049,uM,CC(C)(C)c1[nH]c(c(n1)c2ccc3cc(ccc3c2)OC)c4ccnc(c4)N,
,,,P3S:A:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:B:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:C:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:D:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:E:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:F:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2WHI,,,,,,,
,,,1AZ:A:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1AZ:B:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1AZ:C:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1AZ:D:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1AZ:E:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1AZ:F:501,valid,,,,,Cn1c2c(nc1N3CCOCC3)N(C(=O)N(C2=O)Cc4ccc(c(c4)Cl)Cl)C,
,,,1PE:A:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:508,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:E:507,invalid,,,,,[Cl-],
,,,CL:F:507,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:504,Part of Protein,,,,,[Mg+2],
,,,P3S:A:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:B:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:C:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:D:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:E:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:F:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HTO,,,,,,,
,,,AMP:A:7475,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:7477,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:7479,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:7481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:7483,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:F:7485,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:G:7487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:H:7489,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:I:7491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:J:7493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:K:7495,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:L:7497,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:M:7499,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:N:7501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:O:7503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:P:7505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:Q:7507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:R:7509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:S:7511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:T:7513,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:U:7515,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:V:7517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:W:7519,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:X:7521,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CIT:A:7476,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:7478,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:7480,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:7482,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:E:7484,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:7486,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:G:7488,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:H:7490,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:I:7492,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:J:7494,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:K:7496,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:L:7498,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:M:7500,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:N:7502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:O:7504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:P:7506,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:Q:7508,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:R:7510,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:S:7512,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:T:7514,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:U:7516,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:V:7518,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:W:7520,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:X:7522,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:470,Part of Protein,,,,,[Mn+2],
,,,MN:B:470,Part of Protein,,,,,[Mn+2],
,,,MN:C:470,Part of Protein,,,,,[Mn+2],
,,,MN:D:470,Part of Protein,,,,,[Mn+2],
,,,MN:E:470,Part of Protein,,,,,[Mn+2],
,,,MN:F:470,Part of Protein,,,,,[Mn+2],
,,,MN:G:470,Part of Protein,,,,,[Mn+2],
,,,MN:H:470,Part of Protein,,,,,[Mn+2],
,,,MN:I:470,Part of Protein,,,,,[Mn+2],
,,,MN:J:470,Part of Protein,,,,,[Mn+2],
,,,MN:K:470,Part of Protein,,,,,[Mn+2],
,,,MN:L:470,Part of Protein,,,,,[Mn+2],
,,,MN:M:470,Part of Protein,,,,,[Mn+2],
,,,MN:N:470,Part of Protein,,,,,[Mn+2],
,,,MN:O:470,Part of Protein,,,,,[Mn+2],
,,,MN:P:470,Part of Protein,,,,,[Mn+2],
,,,MN:Q:470,Part of Protein,,,,,[Mn+2],
,,,MN:R:470,Part of Protein,,,,,[Mn+2],
,,,MN:S:470,Part of Protein,,,,,[Mn+2],
,,,MN:T:470,Part of Protein,,,,,[Mn+2],
,,,MN:U:470,Part of Protein,,,,,[Mn+2],
,,,MN:V:470,Part of Protein,,,,,[Mn+2],
,,,MN:W:470,Part of Protein,,,,,[Mn+2],
,,,MN:X:470,Part of Protein,,,,,[Mn+2],
,,2BVC,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:E:505,invalid,,,,,[Cl-],
,,,CL:F:505,invalid,,,,,[Cl-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:E:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:504,Part of Protein,,,,,[Mg+2],
,,,P3S:A:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:B:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:C:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:D:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:E:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:F:500,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,7CQN,,,,,,,
,,,ACP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,7CQW,,,,,,,
,,,ADP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,7CQU,,,,,,,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,ADP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,P3S:A:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:C:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,,P3S:B:505,valid,,,,,C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N,
,,7CQX,,,,,,,
,,,ADP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,7CQQ,,,,,,,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,ANP:C:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MSL:B:505,valid,,,,,C[S@](=N)(=O)CC[C@@H](C(=O)O)N,
,,,MSL:C:505,valid,,,,,C[S@](=N)(=O)CC[C@@H](C(=O)O)N,
,,,MSL:A:505,valid,,,,,C[S@](=N)(=O)CC[C@@H](C(=O)O)N,
3.3.2.8,,,,,,,,,
,Family. Representative Entry is ,5AIG,,,,,,,
,,,VPR:A:200,valid,,,,,CCCC(CCC)C(=O)N,
,,,VPR:B:200,valid,,,,,CCCC(CCC)C(=O)N,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,1NWW,,,,,,,
,,,HPN:A:900,valid,,,,,CCCCCCC(=O)N,
,,,HPN:B:1900,valid,,,,,CCCCCCC(=O)N,
,,,MES:A:901,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4XBY,,,,,,,
,,,3ZS:B:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:A:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:D:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:C:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,5YNG,,,,,,,
,,,3ZS:B:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:A:204,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:A:205,Part of Protein,,,,,[K+],
,,,NI:A:202,invalid,,,,,[Ni+2],
,,,NI:A:203,invalid,,,,,[Ni+2],
,,4XBT,,,,,,,
,,,FLC:B:201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,3ZQ:C:201,valid,,,,,C1CC[C@@H]([C@H](C1)O)O,
,,,3ZQ:A:201,valid,,,,,C1CC[C@@H]([C@H](C1)O)O,
,,5YQT,,,,,,,
,,,3ZS:B:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:H:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:C:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:D:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,,3ZS:A:201,valid,,,,,C1C[C@@H]2[C@H](C1)O2,
,,1NU3,,,,,,,
,,,MES:A:3001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,VPR:A:4001,valid,,,,,CCCC(CCC)C(=O)N,
,,,VPR:B:5001,valid,,,,,CCCC(CCC)C(=O)N,
,,4XDV,,,,,,,
,,,40O:B:201,valid,,,,,C1CC[C@H]([C@@H](C1)O)O,
,,,40O:D:201,valid,,,,,C1CC[C@H]([C@@H](C1)O)O,
,,,40O:C:201,valid,,,,,C1CC[C@H]([C@@H](C1)O)O,
,,,40O:A:201,valid,,,,,C1CC[C@H]([C@@H](C1)O)O,
2.7.11.22,,,,,,,,,
,Family. Representative Entry is ,2BPM,,,,,,,
,,,529:A:1299,valid,ic50,=,2,nM,C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3C=C(N=N3)C4CC4,
,,,529:C:1299,valid,ic50,=,2,nM,C[C@@H](c1ccc(cc1)N2CCNC2=O)C(=O)/N=C/3C=C(N=N3)C4CC4,
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CFN,,,,,,,
,,,DTT:D:1433,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:1433,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,JYM:A:1298,valid,ic50,=,49,uM,C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N,
,,,JYM:C:1295,valid,ic50,=,49,uM,C1CCC(CC1)COc2c3c([nH]c(n3)C(F)(F)F)nc(n2)N,
,,3BHU,,,,,,,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MHR:A:299,valid,ic50,=,0.003,uM,CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N,
,,,MHR:C:299,valid,ic50,=,0.003,uM,CCCOc1ccnc2c1c(c[nH]2)c3ccnc(n3)N,
,,1E9H,,,,,,,
,,,INR:A:1298,valid,ic50,=,35,nM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)S(=O)(=O)O)/N2,
,,,INR:C:1298,valid,ic50,=,35,nM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)S(=O)(=O)O)/N2,
,,4EOL,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,1RO:C:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,1RO:A:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,SGM:D:501,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:501,invalid,,,,,C([C@H](CS)O)O,
,,1OIU,,,,,,,
,,,MG:B:1433,Part of Protein,,,,,[Mg+2],
,,,N76:A:1298,valid,ic50,=,0.21,uM,c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3,
,,,N76:C:1298,valid,ic50,=,0.21,uM,c1cc(cc(c1)S(=O)(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3,
,,,SGM:B:1193,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1193,invalid,,,,,C([C@H](CS)O)O,
,,3BHV,,,,,,,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:2,Part of Protein,,,,,[Mg+2],
,,,SGM:B:2,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:3,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1,invalid,,,,,C([C@H](CS)O)O,
,,,VAR:A:299,valid,ic50,=,0.08,uM,c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N,
,,,VAR:C:299,valid,ic50,=,0.08,uM,c1cnc(n2c1c(c3c2nccc3O)c4ccnc(n4)N)N,
,,4EOQ,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SGM:D:501,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:502,invalid,,,,,C([C@H](CS)O)O,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2G9X,,,,,,,
,,,NU5:A:299,valid,ic50,=,45,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO,
,,,NU5:C:299,valid,ic50,=,45,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO,
,,3MY5,,,,,,,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:B:2,invalid,,,,,C(=O)O,
,,,FMT:B:3,invalid,,,,,C(=O)O,
,,,RFZ:A:300,valid,ic50,=,65,uM,c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,RFZ:C:301,valid,ic50,=,65,uM,c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,SGM:B:1,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:2,invalid,,,,,C([C@H](CS)O)O,
,,1P5E,,,,,,,
,,,TBS:A:301,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2,
,,,TBS:C:302,valid,,,,,c12c(c(c(c(c1Br)Br)Br)Br)nn[nH]2,
,,2IW6,,,,,,,
,,,MG:B:1434,Part of Protein,,,,,[Mg+2],
,,,QQ2:A:1296,valid,ic50,=,0.14,uM,Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl,
,,,QQ2:C:1296,valid,ic50,=,0.14,uM,Cc1ccc(c(c1)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O)Cl,
,,,SGM:B:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1433,invalid,,,,,C([C@H](CS)O)O,
,,1OKV,,,,,,,
,,,ARG ARG LEU ILE PHE NH2:E:30,valid,ic50,=,0.68,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)C(CC)C)Cc1ccccc1,
,,,ARG ARG LEU ILE PHE NH2:F:30,valid,ic50,=,0.68,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)C(CC)C)Cc1ccccc1,
,,1H1R,,,,,,,
,,,6CP:A:1298,valid,ic50,=,2.3,uM,c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,,6CP:C:1298,valid,ic50,=,2.3,uM,c1cc(cc(c1)Cl)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,1OKW,,,,,,,
,,,ACE ARG ARG LEU ASN FCL NH2:E:501,valid,ic50,=,5.6,uM,Clc1cc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)CC(=O)N)C(=O)N)ccc1,
,,,ACE ARG ARG LEU ASN FCL NH2:F:501,valid,ic50,=,5.6,uM,Clc1cc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CC(C)C)CC(=O)N)C(=O)N)ccc1,
,,1OI9,,,,,,,
,,,MG:B:1433,Part of Protein,,,,,[Mg+2],
,,,N20:A:1298,valid,ic50,=,69,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O,
,,,N20:C:1298,valid,ic50,=,69,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)O,
,,,SGM:B:1193,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1193,invalid,,,,,C([C@H](CS)O)O,
,,4EON,,,,,,,
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,1RO:C:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,1RO:A:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,4EOJ,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SGM:B:503,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:502,invalid,,,,,C([C@H](CS)O)O,
,,2UZE,,,,,,,
,,,C95:A:1297,valid,ic50,=,47,uM,[H]/N=C/1NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1,
,,,C95:C:1297,valid,ic50,=,47,uM,[H]/N=C/1NC(=O)/C(=C/c2ccc(o2)c3ccc(cc3)C(=O)O)/S1,
,,1PKD,,,,,,,
,,,UCN:A:410,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC,
,,,UCN:C:411,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC,
,,4CFV,,,,,,,
,,,MG:B:1434,Part of Protein,,,,,[Mg+2],
,,,MG:D:1433,Part of Protein,,,,,[Mg+2],
,,,MG:B:1433,Part of Protein,,,,,[Mg+2],
,,,MG:D:1434,Part of Protein,,,,,[Mg+2],
,,,75X:A:1299,valid,ic50,=,23.5,uM,Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,,,75X:C:1297,valid,ic50,=,23.5,uM,Cc1c(cccc1O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,,6GUC,,,,,,,
,,,SU9:A:301,valid,Kd,=,25,nM,COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2,
,,,SU9:C:301,valid,Kd,=,25,nM,COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2,
,,3BHT,,,,,,,
,,,MFR:A:299,valid,ic50,=,0.011,uM,COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N,
,,,MFR:C:299,valid,ic50,=,0.011,uM,COc1ccnc2c1c(c[nH]2)c3ccnc(n3)N,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:2,Part of Protein,,,,,[Mg+2],
,,,SGM:B:4,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:5,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:3,invalid,,,,,C([C@H](CS)O)O,
,,2IW8,,,,,,,
,,,4SP:A:1298,valid,ic50,=,103,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,4SP:C:1297,valid,ic50,=,103,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,SGM:B:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1433,invalid,,,,,C([C@H](CS)O)O,
,,4BCO,,,,,,,
,,,SO4:D:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SGM:D:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1434,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:1434,invalid,,,,,C([C@H](CS)O)O,
,,,T6Q:A:1299,valid,Ki,=,0.131,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N,
,,,T6Q:C:1298,valid,Ki,=,0.131,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCN(CC4)C(=O)C)C#N,
,,2UUE,,,,,,,
,,,ARG LEU ILE PFF NH2 GVC:E:1,valid,ic50,=,1.3,uM,Clc1cc(Cl)cc(-n2c(C)nc(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(F)cc3)C(CC)C)CC(C)C)CCCNC(=[NH2+])N)n2)c1,
,,,ARG LEU ILE PFF NH2 GVC:F:1,valid,ic50,=,1.3,uM,Clc1cc(Cl)cc(-n2c(C)nc(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc3ccc(F)cc3)C(CC)C)CC(C)C)CCCNC(=[NH2+])N)n2)c1,
,,,MTZ:A:1297,valid,,,,,Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2,
,,,MTZ:C:1298,valid,,,,,Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2,
,,1FIN,,,,,,,
,,,ATP:A:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:299,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4EOI,,,,,,,
,,,1RO:C:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,1RO:A:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,SGM:D:501,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:501,invalid,,,,,C([C@H](CS)O)O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,4II5,,,,,,,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,1VYW,,,,,,,
,,,292:A:2300,valid,ic50,=,37,nM,c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4,
,,,292:C:2300,valid,ic50,=,37,nM,c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4,
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2UZL,,,,,,,
,,,C94:A:1297,valid,ic50,=,0.61,uM,[H]/N=C/1NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1,
,,,C94:C:1297,valid,ic50,=,0.61,uM,[H]/N=C/1NC(=O)/C(=C/c2ccc(o2)c3ccc(c(c3)C(F)(F)F)S(=O)(=O)N)/S1,
,,1H24,,,,,,,
,,,PRO VAL LYS ARG ARG LEU ASP LEU GLU:E:87,valid,Kd,=,0.5,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)[O-])CC(C)C)CC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C1[NH2+]CCC1)C(C)C,
,,1H1Q,,,,,,,
,,,2A6:A:1298,valid,ic50,=,1,uM,c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,,2A6:C:1298,valid,ic50,=,1,uM,c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3,
,,3DDQ,,,,,,,
,,,RRC:A:299,valid,ic50,=,0.21,uM,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3,
,,,RRC:C:299,valid,ic50,=,0.21,uM,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3,
,,,SGM:B:1,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:440,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1,invalid,,,,,C([C@H](CS)O)O,
,,2WEV,,,,,,,
,,,ACE ARG ARG B3L MEA NH2:E:1,valid,ic50,=,30,uM,O=C(NC(C(=O)NC(CC(=O)N(C(C(=O)N)Cc1ccccc1)C)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C)CCCNC(=[NH2+])N,
,,,ACE ARG ARG B3L MEA NH2:F:1,valid,ic50,=,30,uM,O=C(NC(C(=O)NC(CC(=O)N(C(C(=O)N)Cc1ccccc1)C)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C)CCCNC(=[NH2+])N,
,,,CK7:A:1297,valid,,,,,Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-],
,,,CK7:C:1298,valid,,,,,Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-],
,,1OIY,,,,,,,
,,,MG:B:1433,Part of Protein,,,,,[Mg+2],
,,,N41:A:1298,valid,ic50,=,64,nM,c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3,
,,,N41:C:1298,valid,ic50,=,64,nM,c1cc(ccc1C(=O)N)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3,
,,,SGM:B:1193,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1193,invalid,,,,,C([C@H](CS)O)O,
,,4I3Z,,,,,,,
,,,ADP:A:301,valid,Kd,=,51.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,Kd,=,51.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:C:305,invalid,,,,,[Cl-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,4EOP,,,,,,,
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,1RO:C:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,1RO:A:301,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,,SGM:B:501,invalid,,,,,C([C@H](CS)O)O,
,,6GVA,,,,,,,
,,,PGE:B:504,invalid,,,,,C(COCCOCCO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,SGM:B:503,invalid,,,,,C([C@H](CS)O)O,
,,,BR:A:305,invalid,,,,,[Br-],
,,,FCQ:A:301,valid,ic50,=,5,nM,CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4ccccn4)n[nH]1,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,PG4:B:501,invalid,,,,,C(COCCOCCOCCO)O,
,,2C5O,,,,,,,
,,,CK2:A:1297,valid,ic50,=,6.5,uM,Cc1c(sc(n1)C)c2ccnc(n2)N,
,,,CK2:C:1298,valid,ic50,=,6.5,uM,Cc1c(sc(n1)C)c2ccnc(n2)N,
,,2WIH,,,,,,,
,,,P48:A:1299,valid,ic50,=,0.045,uM,CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C,
,,,P48:C:1299,valid,ic50,=,0.045,uM,CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C,
,,,SO4:D:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IW9,,,,,,,
,,,4SP:A:1298,valid,ic50,=,8.9,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,4SP:C:1297,valid,ic50,=,8.9,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,MG:B:1434,Part of Protein,,,,,[Mg+2],
,,,MG:D:1434,Part of Protein,,,,,[Mg+2],
,,,SGM:B:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1433,invalid,,,,,C([C@H](CS)O)O,
,,4EOO,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,SGM:D:501,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:502,invalid,,,,,C([C@H](CS)O)O,
,,1H1S,,,,,,,
,,,4SP:A:1298,valid,Ki,=,6,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,4SP:C:1298,valid,Ki,=,6,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,2C5N,,,,,,,
,,,CK8:A:1297,valid,ic50,=,0.22,uM,Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C,
,,,CK8:C:1298,valid,ic50,=,0.22,uM,Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C,
,,4BCP,,,,,,,
,,,T3C:C:1297,valid,Ki,=,568,nM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N,
,,,T3C:A:1299,valid,Ki,=,568,nM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)N4CCCNCC4)C#N,
,,,SGM:B:1434,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:B:1435,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1434,invalid,,,,,C([C@H](CS)O)O,
,,,SO4:D:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F5X,,,,,,,
,,,EZV:A:300,valid,ic50,=,1040,nM,CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N,
,,,EZV:C:300,valid,ic50,=,1040,nM,CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N,
,,,GOL:A:299,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:299,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QHR,,,,,,,
,,,ADP:A:297,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:297,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:16,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:13,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:15,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:12,invalid,,,,,C(C(CO)O)O,
,,,MG:A:298,Part of Protein,,,,,[Mg+2],
,,,MG:A:299,Part of Protein,,,,,[Mg+2],
,,,MG:C:298,Part of Protein,,,,,[Mg+2],
,,,MG:C:299,Part of Protein,,,,,[Mg+2],
,,,MGF:A:300,invalid,,,,,F[Mg-](F)F,
,,,MGF:C:300,invalid,,,,,F[Mg-](F)F,
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:J:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:K:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:L:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:M:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,4BCK,,,,,,,
,,,T3E:A:1298,valid,Ki,=,0.004,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N,
,,,T3E:C:1295,valid,Ki,=,0.004,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)S(=O)(=O)N)C#N,
,,,SGM:A:1299,invalid,,,,,C([C@H](CS)O)O,
,,1H1P,,,,,,,
,,,CMG:A:1298,valid,Ki,=,12,uM,c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3,
,,,CMG:C:1298,valid,Ki,=,12,uM,c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3,
,,4EOR,,,,,,,
,,,4SP:A:301,valid,Ki,=,500,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,4SP:C:301,valid,Ki,=,500,nM,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,1QMZ,,,,,,,
,,,ATP:A:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HIS HIS ALA SER PRO ARG LYS:E:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCC1)CO)C)Cc1nc[nH]c1)C([NH3+])Cc1nc[nH]c1,
,,,HIS HIS ALA SER PRO ARG LYS:F:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCC1)CO)C)Cc1nc[nH]c1)C([NH3+])Cc1nc[nH]c1,
,,,MG:A:383,Part of Protein,,,,,[Mg+2],
,,,MG:C:383,Part of Protein,,,,,[Mg+2],
,,4EOM,,,,,,,
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2CJM,,,,,,,
,,,ATP:A:1294,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1298,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1295,invalid,,,,,[Mg+2],
,,,PTR:A:15,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,,PTR:C:15,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,3QHW,,,,,,,
,,,ADP:A:297,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:297,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,,DTU:B:3,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:D:4,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,MG:A:298,Part of Protein,,,,,[Mg+2],
,,,MG:A:299,Part of Protein,,,,,[Mg+2],
,,,MG:C:298,Part of Protein,,,,,[Mg+2],
,,,MG:C:299,Part of Protein,,,,,[Mg+2],
,,,MGF:A:300,invalid,,,,,F[Mg-](F)F,
,,,MGF:C:300,invalid,,,,,F[Mg-](F)F,
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:J:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:K:-2,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:L:4,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,,PRO LYS THR PRO LYS LYS ALA LYS LYS LEU:M:4,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCC[NH3+])C(NC(=O)C(N)C)CCCC[NH3+],
,,3TNW,,,,,,,
,,,F18:A:299,valid,,,,,c1cc(ccc1/N=Nc2c([nH]nc2N)N)O,
,,,F18:C:299,valid,,,,,c1cc(ccc1/N=Nc2c([nH]nc2N)N)O,
,,,NA:D:1,Part of Protein,,,,,[Na+],
,,,NA:D:4,Part of Protein,,,,,[Na+],
,,4CFW,,,,,,,
,,,SQ9:C:1297,valid,ic50,=,0.51,uM,Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,,,SQ9:A:1299,valid,ic50,=,0.51,uM,Cc1c(cccc1S(=O)(=O)N)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,Family. Representative Entry is ,2XMY,,,,,,,
,,,CDK:A:500,valid,Ki,=,0.11,nM,CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC,
,,3PXQ,,,,,,,
,,,2AN:A:300,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:301,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:302,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,2R3N,,,,,,,
,,,SCZ:A:501,valid,ic50,=,70,nM,c1ccc(cc1)c2cc(n3c(n2)c(cn3)C4CC4)NCc5cccnc5,
,,1H0V,,,,,,,
,,,UN4:A:1299,valid,,,,,c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3,
,,4NJ3,,,,,,,
,,,2KD:A:301,valid,Kd,=,0.3,uM,COC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)c4cccc(c4)Cl)C(=O)O,
,,1JSV,,,,,,,
,,,U55:A:400,valid,,,,,c1cc(ccc1Nc2cc(ncn2)N)S(=O)(=O)N,
,,1OIQ,,,,,,,
,,,HDU:A:1299,valid,ic50,=,2.9,uM,Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C,
,,2W17,,,,,,,
,,,ACT:A:1299,invalid,,,,,CC(=O)[O-],
,,,I19:A:1300,valid,ic50,=,0.002,uM,Cc1ncc(n1C(C)C)c2c(cnc(n2)Nc3ccc(cc3)C(=O)N4CC[C@@H](C4)N(C)C)F,
,,2VTP,,,,,,,
,,,LZ9:A:1299,valid,ic50,=,0.003,uM,c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F,
,,1JVP,,,,,,,
,,,LIG:P:301,valid,ic50,=,1.6,uM,c1ccc-2c(c1)Cc3c2n[nH]c3c4ccncc4,
,,1FVT,,,,,,,
,,,106:A:299,valid,,,,,c1cc(ccc1NN=C2c3cc(ccc3NC2=O)Br)S(=O)(=O)N,
,,4KD1,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,1QK:A:302,valid,,,,,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,3LE6,,,,,,,
,,,2BZ:A:299,valid,ic50,=,0.035,uM,Cc1c-2nc(c3cc(ccc3nc2nn1)[N+](=O)[O-])c4ccccc4Cl,
,,2VTI,,,,,,,
,,,LZ3:A:1299,valid,ic50,=,0.66,uM,c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc3)S(=O)(=O)N,
,,3LFS,,,,,,,
,,,A07:A:299,valid,Ki,=,2.5,uM,CCCC(=O)Nc1c2cc(c(cc2[nH]n1)Cl)c3ccccc3,
,,1PXI,,,,,,,
,,,CK1:A:500,valid,,,,,c1cnc(nc1c2cc(sc2Cl)Cl)N,
,,4LYN,,,,,,,
,,,1YG:A:301,valid,,,,,C[C@@H](c1ccccc1)C(=O)Nc2ncc(s2)SCc3ncc(o3)C(C)(C)C,
,,1YKR,,,,,,,
,,,628:A:299,valid,ic50,=,0.56,uM,c1cc(c(c(c1)Cl)C(=O)c2ccc3nc(cn3c2)Nc4ccc(cc4)S(=O)(=O)N)Cl,
,,1PXN,,,,,,,
,,,CK6:A:500,valid,Ki,=,0.07,uM,Cc1c(sc(n1)NC)c2ccnc(n2)Nc3ccc(cc3)O,
,,2R3J,,,,,,,
,,,SCJ:A:501,valid,ic50,=,10,nM,c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4cccnc4,
,,6Q3F,,,,,,,
,,,HEW:A:301,valid,,,,,c1cnc(cc1Br)N,
,,3IG7,,,,,,,
,,,EFP:A:999,valid,ic50,=,9,nM,CC(=O)NC1CC(C1)n2cc(nc2)NC(=O)Cc3ccc(cc3)OC,
,,2VTS,,,,,,,
,,,LZC:A:1299,valid,ic50,=,0.03,uM,CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N,
,,1P2A,,,,,,,
,,,5BN:A:301,valid,ic50,=,12,nM,c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN,
,,2BHE,,,,,,,
,,,BRY:A:1299,valid,ic50,=,1,uM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)Br)/N2,
,,3UNK,,,,,,,
,,,0BY:A:299,valid,ic50,=,15,uM,c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Cl,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2VTQ,,,,,,,
,,,LZA:A:1299,valid,ic50,=,0.14,uM,c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)F,
,,2C68,,,,,,,
,,,CT6:A:1297,valid,ic50,=,1.8,uM,c1cc(cc(c1)Br)c2cc([n+]3c(n2)cc[nH]3)NCc4ccncc4,
,,3TIZ,,,,,,,
,,,3TI:A:299,valid,,,,,c1ccc2c(c1)ccc(c2/C=N/c3ccc(cc3)O)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,3PXY,,,,,,,
,,,JWS:A:299,valid,ic50,=,5.9,uM,COc1ccc(c(c1)c2nc(nc(n2)N)N)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2R3M,,,,,,,
,,,SCX:A:501,valid,ic50,=,10,nM,CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F,
,,5JQ5,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,I74:A:302,valid,Kd,=,2341,nM,CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O,
,,2C6O,,,,,,,
,,,4SP:A:1297,valid,,,,,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,1V1K,,,,,,,
,,,3FP:A:299,valid,ic50,=,35,uM,CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3cc(ccc3F)C(F)(F)F)O,
,,2VTJ,,,,,,,
,,,GOL:A:1299,invalid,,,,,C(C(CO)O)O,
,,,LZ4:A:1300,valid,ic50,=,1.9,uM,c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N,
,,3EZV,,,,,,,
,,,EZV:A:300,valid,,,,,CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N,
,,3PXZ,,,,,,,
,,,2AN:A:299,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:300,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,JWS:A:301,valid,ic50,=,5.9,uM,COc1ccc(c(c1)c2nc(nc(n2)N)N)O,
,,1W0X,,,,,,,
,,,OLO:C:1299,valid,,,,,Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO,
,,2UZO,,,,,,,
,,,C62:A:1297,valid,ic50,=,27,uM,c1cc(ccc1c2ccc(o2)C=C/3C(=O)NC(=O)S3)S(=O)(=O)N,
,,1KE7,,,,,,,
,,,LS3:A:299,valid,ic50,=,8.9,nM,c1cc2c(cc1c3cnco3)C(=CNc4ccc5c(c4)CS(=O)(=O)C5)C(=O)N2,
,,1DM2,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,HMD:A:400,valid,,,,,C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br,
,,1DI8,,,,,,,
,,,DTQ:A:500,valid,ic50,=,1,uM,COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O,
,,5JQ8,,,,,,,
,,,I73:A:301,valid,,,,,CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O,
,,6Q4H,,,,,,,
,,,HGH:A:301,valid,,,,,c1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,1GIJ,,,,,,,
,,,2PU:A:501,valid,,,,,c1cc2c(c(c1)NC(=O)Nc3cc([nH]n3)[C@@H]4CCCN4)[C@@H]5CCCN5C2=O,
,,2R3P,,,,,,,
,,,3SC:A:501,valid,ic50,=,900,nM,c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)c(cn3)SC#N)NCc4ccncc4,
,,1KE8,,,,,,,
,,,LS4:A:299,valid,ic50,=,1000,nM,c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2,
,,2C6I,,,,,,,
,,,DT1:A:1299,valid,ic50,=,11,uM,c1cc(ccc1Nc2cc(nc3n2ncn3)OCC4CCCCC4)S(=O)(=O)N,
,,1PXP,,,,,,,
,,,CK8:A:500,valid,Ki,=,0.22,uM,Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C,
,,6Q3C,,,,,,,
,,,BYZ:A:302,valid,,,,,c1c(cn[nH]1)Br,
,,,BYZ:A:301,valid,,,,,c1c(cn[nH]1)Br,
,,2UZN,,,,,,,
,,,C96:A:1299,valid,ic50,=,0.03,uM,[H]/N=C/1NC(=O)/C(=C(C)/c2ccc(o2)c3ccc(cc3)S(=O)(=O)N)/S1,
,,2B55,,,,,,,
,,,D31:A:299,valid,ic50,=,96,nM,c1cc-2c(c(c1)NC(=O)CN3CCC(CC3)CN)C(=O)c4c2n[nH]c4C5CCCCC5,
,,5K4J,,,,,,,
,,,6QB:A:301,valid,,,,,Cn1c(ccn1)Nc2nccc(n2)C3=CC(=O)N(C=C3)[C@H](CO)c4ccc(c(c4)F)Cl,
,,3PJ8,,,,,,,
,,,404:A:299,valid,,,,,CC[C@H](CO)Nc1nc2c(c(n1)NCc3ccccc3)[nH]nc2C(C)C,
,,3LFQ,,,,,,,
,,,A28:A:299,valid,,,,,CCCC(=O)Nc1c2cc(c(c(c2[nH]n1)F)F)c3ccccc3,
,,2W05,,,,,,,
,,,FRT:A:1299,valid,ic50,=,0.001,uM,Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC,
,,2XNB,,,,,,,
,,,Y8L:A:1299,valid,Ki,=,149,nM,CC1=C(SC(=O)N1C)c2ccnc(n2)N=C3CC=C(C=C3)N4CCNCC4,
,,1HCK,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,5IEX,,,,,,,
,,,6AF:A:1001,valid,,,,,C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)Br)O,
,,2R3H,,,,,,,
,,,SCE:A:501,valid,ic50,=,20000,nM,Cc1cnc2n1ccnc2NCc3ccncc3,
,,3LFN,,,,,,,
,,,A27:A:299,valid,ic50,=,3160,nM,CCCC(=O)Nc1c2cc(c(cc2[nH]n1)c3ccc(cc3)O)c4ccccc4,
,,3PY1,,,,,,,
,,,2AN:A:301,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:302,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,,SU9:A:300,valid,ic50,=,0.13,uM,COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2,
,,2A4L,,,,,,,
,,,RRC:A:300,valid,ic50,=,0.4,uM,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3,
,,1Y8Y,,,,,,,
,,,CT7:A:401,valid,ic50,=,2,uM,CS(=O)(=O)c1ccc(cc1)Nc2cc(nc3n2ncc3)Cl,
,,6GUH,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,FB8:A:301,valid,Kd,=,26,nM,Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C,
,,1OIR,,,,,,,
,,,HDY:A:1298,valid,ic50,=,0.032,uM,Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H](CN(C)C)O,
,,1PXJ,,,,,,,
,,,CK2:A:500,valid,,,,,Cc1c(sc(n1)C)c2ccnc(n2)N,
,,2VTO,,,,,,,
,,,LZ8:A:1299,valid,ic50,=,0.14,uM,c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F,
,,2BTR,,,,,,,
,,,U73:A:300,valid,ic50,=,95,nM,CC(C)C1=CN/C(=N/C(=O)Cc2cccnc2)/S1,
,,6Q4K,,,,,,,
,,,HHW:A:302,valid,,,,,c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O,
,,,HHW:A:301,valid,,,,,c1cc(cc(c1)C(=O)Nc2ccc(cc2)Cl)/C=C/C(=O)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,2VTA,,,,,,,
,,,GOL:A:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1300,invalid,,,,,C(C(CO)O)O,
,,,LZ1:A:1301,valid,ic50,=,185,uM,c1ccc2c(c1)cn[nH]2,
,,3EZR,,,,,,,
,,,EZR:A:300,valid,,,,,CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N,
,,,EZR:A:301,valid,,,,,CN1CCN(CC1)c2cccc3c2nc([nH]3)c4c5ccc(cc5[nH]n4)c6ccc(cc6OC)N,
,,3ULI,,,,,,,
,,,1N3:A:299,valid,ic50,=,0.07,uM,COc1ccc(cc1)c2[nH]c3c(n2)c(c(cn3)Br)NCCCNC(=O)C4(CC4)CN,
,,2DS1,,,,,,,
,,,1CD:A:501,valid,ic50,=,3.4,nM,C[C@@H]1C[C@H]2C[N@]1CCN3C(=O)c4cccc(c4N3)C5=Nc6c(cccc6O2)NC5=O,
,,5FP5,,,,,,,
,,,1Y6:A:1297,valid,,,,,c1cc(ccc1C(=O)O)F,
,,,1Y6:A:1298,valid,,,,,c1cc(ccc1C(=O)O)F,
,,,ACE:A:1296,invalid,,,,,CC=O,
,,2VTH,,,,,,,
,,,GOL:A:1299,invalid,,,,,C(C(CO)O)O,
,,,LZ2:A:1300,valid,ic50,=,120,uM,c1cc2c(cccc2S(=O)(=O)N)c(c1)O,
,,1KE5,,,,,,,
,,,LS1:A:299,valid,ic50,=,560,nM,CNS(=O)(=O)c1ccc(cc1)NC=C/2c3ccccc3NC2=O,
,,3FZ1,,,,,,,
,,,B98:A:299,valid,,,,,COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN,
,,1WCC,,,,,,,
,,,CIG:A:1299,valid,ic50,=,350,uM,c1c(nc(cn1)Cl)N,
,,1PXO,,,,,,,
,,,CK7:A:500,valid,Ki,=,2,nM,Cc1c(sc(n1)N)c2ccnc(n2)Nc3cccc(c3)[N+](=O)[O-],
,,1H00,,,,,,,
,,,FAP:A:1300,valid,ic50,=,38,uM,CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O,
,,,FCP:A:1400,valid,ic50,=,38,uM,CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O,
,,2R3R,,,,,,,
,,,6SC:A:501,valid,,,,,c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4,
,,1B39,,,,,,,
,,,ATP:A:381,valid,Kd,=,0.12,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:382,Part of Protein,,,,,[Mg+2],
,,6Q4C,,,,,,,
,,,HH8:A:301,valid,,,,,c1cc2c(ccnc2nc1)Br,
,,3PXF,,,,,,,
,,,2AN:A:304,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:305,valid,Kd,=,37,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,3TI1,,,,,,,
,,,B49:A:299,valid,,,,,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,2R3G,,,,,,,
,,,SC9:A:501,valid,ic50,=,800,nM,c1ccc(c(c1)c2cn3ccnc3c(n2)NCc4cccnc4)F,
,,2C69,,,,,,,
,,,CT8:A:1299,valid,ic50,=,26,uM,c1cc(cc(c1)Br)c2cc([n+]3c(n2)nc[nH]3)NCc4ccncc4,
,,2VTM,,,,,,,
,,,LZM:A:1299,valid,ic50,~,1,mM,c1cnc2c(cnn2c1)C#N,
,,4ERW,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,STU:A:301,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,1E1V,,,,,,,
,,,CMG:A:401,valid,Ki,=,12,uM,c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCCC3,
,,2VV9,,,,,,,
,,,IM9:A:1300,valid,ic50,=,0.017,uM,Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)N4CCN(CC4)C(=O)CO,
,,5IEV,,,,,,,
,,,R0N:A:1001,valid,,,,,C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)[S@](C3CC3)(N)O)C(F)(F)F)O,
,,6Q48,,,,,,,
,,,HHQ:A:302,valid,,,,,C1C(=CC=NC1=O)I,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,4D1X,,,,,,,
,,,ESJ:A:1299,valid,,,,,c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)O,
,,5MHQ,,,,,,,
,,,8QT:A:301,valid,,,,,CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3,
,,2BTS,,,,,,,
,,,U32:A:1299,valid,ic50,=,20,nM,CC(C)c1cnc(s1)Nc2ccc(cc2)S(=O)(=O)N,
,,6Q4D,,,,,,,
,,,HHT:A:302,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,,HHT:A:301,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,,HHT:A:306,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,,HHT:A:303,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,,HHT:A:305,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,,HHT:A:304,valid,,,,,COc1cc(ccc1CC(=O)O)Br,
,,1URW,,,,,,,
,,,I1P:A:1300,valid,ic50,<,0.003,uM,CN(C)CCCNS(=O)(=O)c1ccc(cc1)Nc2nccc(n2)c3cnc4n3nccc4,
,,5FP6,,,,,,,
,,,MFZ:A:1295,valid,,,,,c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl,
,,,MFZ:A:1296,valid,,,,,c1cc(c2c(c1Cl)c(c[nH]2)C#CCO)Cl,
,,1CKP,,,,,,,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,PVB:A:299,valid,,,,,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O,
,,1KE6,,,,,,,
,,,LS2:A:299,valid,ic50,=,5.7,nM,CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O,
,,2C6K,,,,,,,
,,,DT2:A:1299,valid,ic50,=,0.73,uM,c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCCCC4)S(=O)(=O)N,
,,6Q4F,,,,,,,
,,,26D:A:301,valid,,,,,c1cc(nc(c1)N)N,
,,2R3Q,,,,,,,
,,,5SC:A:501,valid,,,,,Cc1ccccc1c2cc(n3c(n2)c(cn3)Br)NCc4ccc[n+](c4)[O-],
,,1OIT,,,,,,,
,,,HDT:A:1299,valid,ic50,<,0.003,uM,c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)N,
,,3NS9,,,,,,,
,,,NS9:A:0,valid,ic50,=,0.003,uM,CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO)[C@@H](CO)O,
,,6Q4I,,,,,,,
,,,HGK:A:302,valid,,,,,c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,1H01,,,,,,,
,,,FAL:A:301,valid,ic50,=,22,uM,CN(C)C[C@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O,
,,,FBL:A:302,valid,ic50,=,22,uM,CN(C)C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc3Cl)Cl)O,
,,,GOL:A:299,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,2EXM,,,,,,,
,,,ZIP:A:400,valid,,,,,CC(=CCNc1c2c([nH]cn2)ncn1)C,
,,4BGH,,,,,,,
,,,3I6:A:1001,valid,ic50,=,4,nM,C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br,
,,2R3F,,,,,,,
,,,SC8:A:501,valid,ic50,=,500,nM,c1cc(c(c(c1)Cl)Cl)c2cc(n3c(n2)ccn3)NCc4ccncc4,
,,1GII,,,,,,,
,,,1PU:A:501,valid,,,,,c1ccnc(c1)NC(=O)Nc2cccc3c2[C@H]4CCCN4C3=O,
,,6Q4B,,,,,,,
,,,HHN:A:301,valid,,,,,c1c(cncn1)Br,
,,2R64,,,,,,,
,,,740:A:500,valid,ic50,=,0.03,uM,c1cc(ccc1CC(=O)Nc2c3cc(ccc3[nH]n2)N4CCCS4(=O)=O)N5CCCCC5,
,,5A14,,,,,,,
,,,LQ5:A:1298,invalid,,,,,CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N,
,,,LQ5:A:1297,valid,,,,,CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N,
,,2C6L,,,,,,,
,,,DT4:A:1299,valid,ic50,=,0.27,uM,c1cc(ccc1Nc2cc(nc3n2ncn3)NC4CCC(CC4)N)S(=O)(=O)N,
,,2W06,,,,,,,
,,,FRV:A:1300,valid,,,,,Cc1ncc(n1C2CC2)c3ccnc(n3)Nc4ccc(cc4)S(=O)(=O)NC,
,,4EZ7,,,,,,,
,,,2AN:A:302,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:303,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,STU:A:301,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,6Q4J,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,HHB:A:303,valid,,,,,c1cc(cc(c1)Nc2ccncn2)CC(=O)O,
,,5D1J,,,,,,,
,,,56H:A:4000,valid,ic50,=,48,nM,CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3,
,,5IEY,,,,,,,
,,,6AE:A:1001,valid,,,,,C[C@H]([C@@H](C)O)Nc1ccnc(n1)Nc2ccc(cc2)S(=O)(=O)N,
,,2VTT,,,,,,,
,,,LZD:A:1299,valid,ic50,=,0.044,uM,c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3)F,
,,2VU3,,,,,,,
,,,LZE:A:1299,valid,ic50,=,0.047,uM,c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl,
,,2B54,,,,,,,
,,,D05:A:300,valid,,,,,CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O,
,,1GZ8,,,,,,,
,,,MBP:A:1300,valid,,,,,CC(C)C(=O)COc1c2c(nc[nH]2)nc(n1)N,
,,3PY0,,,,,,,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SU9:A:301,valid,ic50,=,0.13,uM,COc1ccc2c(c1)/C(=C/c3cnc[nH]3)/C(=O)N2,
,,2VTR,,,,,,,
,,,LZB:A:1299,valid,ic50,=,1.5,uM,CC(C)Nc1cc(nc2n1ncc2C#N)Cl,
,,1E1X,,,,,,,
,,,NW1:A:401,valid,Ki,=,1.3,uM,C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O,
,,3UNJ,,,,,,,
,,,0BX:A:299,valid,ic50,=,11,uM,c1ccc(cc1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O,
,,,PO4:A:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2A0C,,,,,,,
,,,CK9:X:500,valid,,,,,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3O,
,,3TIY,,,,,,,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,TIY:A:311,valid,,,,,c1c2c(c(c(c1O)O)O)C(=O)C(=CC=C2)O,
,,2R3I,,,,,,,
,,,SCF:A:501,valid,ic50,=,1000,nM,c1ccc(c(c1)c2cc(n3c(n2)ccn3)NCc4ccncc4)F,
,,1VYZ,,,,,,,
,,,N5B:A:300,valid,ic50,=,290,nM,c1ccc(cc1)C(=O)Nc2cc(n[nH]2)C3CC3,
,,3WBL,,,,,,,
,,,PDY:A:302,valid,ic50,=,23,uM,CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,4RJ3,,,,,,,
,,,3QS:A:302,valid,ic50,=,93,nM,COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,2VTN,,,,,,,
,,,LZ7:A:1299,valid,ic50,=,0.85,uM,CC(=O)Nc1c[nH]nc1C(=O)Nc2ccc(cc2)F,
,,1AQ1,,,,,,,
,,,STU:A:299,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,2C6M,,,,,,,
,,,DT5:A:1297,valid,ic50,=,0.35,uM,c1cc(ccc1Nc2cc(nc3n2ncn3)OC4CCCCC4)S(=O)(=O)N,
,,2R3L,,,,,,,
,,,SCW:A:501,valid,ic50,=,100,nM,c1ccc(cc1)c2cc(c3ncc(n3c2)Br)NCc4cncnc4,
,,6Q4A,,,,,,,
,,,HGW:A:301,valid,,,,,c1c(cncn1)I,
,,1H08,,,,,,,
,,,BYP BWP:A:299,valid,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,1B38,,,,,,,
,,,ATP:A:381,valid,Kd,=,0.254,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:382,Part of Protein,,,,,[Mg+2],
,,2B52,,,,,,,
,,,D42:A:299,valid,ic50,=,8,nM,Cc1c(sc(n1)C)c2c3c(n[nH]2)-c4cccc(c4C3=O)NC(=O)NN5CCN(CC5)C,
,,1PXL,,,,,,,
,,,CK4:A:500,valid,,,,,Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)C(F)(F)F,
,,3S2P,,,,,,,
,,,PMU:A:500,valid,ic50,=,0.068,uM,CC(C)c1cc(nc(n1)N)c2cc(ccc2O)N3C[C@@H]([C@H](C3)O)O,
,,2R3O,,,,,,,
,,,2SC:A:501,valid,ic50,=,600,nM,c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4,
,,3IGG,,,,,,,
,,,EFQ:A:999,valid,ic50,=,95,nM,COc1ccc(cc1)CC(=O)Nc2cn(cn2)C3CC(C3)O,
,,1R78,,,,,,,
,,,FMD:A:299,valid,ic50,=,3,nM,C[C@H]([C@@H]([C@@H](C#Cc1c(ccc2c1/C(=C/c3c(cc[nH]3)OC)/C(=O)N2)F)O)N)O,
,,2FVD,,,,,,,
,,,LIA:A:299,valid,Ki,=,0.003,uM,COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F,
,,2VTL,,,,,,,
,,,LZ5:A:1299,valid,ic50,=,97,uM,c1ccc(cc1)NC(=O)c2cc[nH]n2,
,,1KE9,,,,,,,
,,,LS5:A:299,valid,ic50,=,660,nM,c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)NC(=N)N)/C(=O)N2,
,,6Q3B,,,,,,,
,,,PYZ:A:302,valid,,,,,c1c(cn[nH]1)I,
,,,PYZ:A:301,valid,,,,,c1c(cn[nH]1)I,
,,1PYE,,,,,,,
,,,PM1:A:700,valid,Ki,=,386,nM,c1ccc(cc1)C(=O)c2c(nc3n2cc(cc3)C(=O)c4c(cccc4F)F)N,
,,6Q49,,,,,,,
,,,HGQ:A:402,valid,,,,,C1=CNC(=O)C=C1Br,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,4EZ3,,,,,,,
,,,0S0:A:301,valid,,,,,c1cc(ccc1/N=N/C2=CC=C(NC2=O)O)S(=O)(=O)N,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,1H07,,,,,,,
,,,MFP:A:301,valid,ic50,=,3,uM,Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@@H](CN(C)C)O,
,,,MFQ:A:302,valid,ic50,=,3,uM,Cc1ccc(c(c1)Br)N(CC#N)c2cc(ncn2)Nc3ccc(cc3)OC[C@H](CN(C)C)O,
,,2B53,,,,,,,
,,,D23:A:299,valid,ic50,=,0.6,uM,CC(C)(C)Nc1c2cc(ccc2nc(n1)C(F)(F)F)c3cccc(c3)N,
,,6GUK,,,,,,,
,,,FC8:A:301,valid,Kd,=,715,nM,CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N,
,,2DUV,,,,,,,
,,,371:A:501,valid,ic50,=,0.087,uM,Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O,
,,4D1Z,,,,,,,
,,,WG8:A:1297,valid,,,,,c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O,
,,,WG8:A:1296,valid,,,,,c1cc2ccc(nc2c(c1)O)C3=N[C@H](CS3)C(=O)O,
,,6Q4E,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,HH5:A:303,valid,Kd,=,350,uM,c1[nH]c2c(n1)nc(nc2I)N,
,,4ACM,,,,,,,
,,,7YG:A:1302,valid,Ki,=,210,nM,CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N,
,,,GOL:A:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,2C5Y,,,,,,,
,,,MTW:A:1298,valid,ic50,=,0.25,uM,c1cc(cc(c1)C2=N/C(=Nc3cccc(c3)[N+](=O)[O-])/N=CC2)Cn4cncn4,
,,6Q4G,,,,,,,
,,,HJK:A:301,valid,Kd,=,50,uM,c1cc(cc(c1)c2c3c([nH]cn3)nc(n2)N)CC(=O)O,
,,2R3K,,,,,,,
,,,SCQ:A:501,valid,ic50,=,100,nM,c1ccc(cc1)c2cc3c(cnn3c(c2)NCc4cncnc4)Br,
,,2V0D,,,,,,,
,,,C53:A:1299,valid,,,,,[H]/N=C1/NC(=O)/C(=Cc2ccccn2)/S1,
,,,CL:A:1300,invalid,,,,,[Cl-],
,,2W1H,,,,,,,
,,,L0F:A:1299,valid,ic50,=,0.052,uM,c1ccc(cc1)C(=O)Nc2c[nH]nc2c3[nH]c4ccccc4n3,
,,1Y91,,,,,,,
,,,CT9:A:401,valid,ic50,=,0.059,uM,CC(C)c1cnn2c1nc(cc2Nc3ccc(cc3)S(=O)(=O)N(C)C)NC4CCC(CC4)N,
,Family. Representative Entry is ,4BCN,,,,,,,
,,,T9N:C:1296,valid,Ki,=,0.012,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N,
,,,T9N:A:1299,valid,Ki,=,0.012,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)O)C#N,
,,,SO4:D:1432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CFU,,,,,,,
,,,MG:A:1300,Part of Protein,,,,,[Mg+2],
,,,MG:D:1433,Part of Protein,,,,,[Mg+2],
,,,2WC:C:1297,valid,,,,,Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,,,2WC:A:1299,valid,,,,,Cc1c(cccc1C(=O)O)c2[nH]c3c(n2)nc(nc3OCC4CCCCC4)N,
,Family. Representative Entry is ,1UNH,,,,,,,
,,,IXM:A:1288,valid,ic50,=,0.1,uM,c1ccc2c(c1)/C(=C/3C(=NO)c4ccccc4N3)/C(=O)N2,
,,,IXM:B:1288,valid,ic50,=,0.1,uM,c1ccc2c(c1)/C(=C/3C(=NO)c4ccccc4N3)/C(=O)N2,
,,1UNG,,,,,,,
,,,ALH:A:1293,valid,ic50,=,0.18,uM,CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2,
,,,ALH:B:1288,valid,ic50,=,0.18,uM,CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2,
,,1UNL,,,,,,,
,,,RRC:A:1293,valid,,,,,CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3,
,Family. Representative Entry is ,4CRL,,,,,,,
,,,FMT:B:1265,invalid,,,,,C(=O)O,
,,,FMT:B:1266,invalid,,,,,C(=O)O,
,,,FMT:A:1363,invalid,,,,,C(=O)O,
,,,FMT:A:1362,invalid,,,,,C(=O)O,
,,,FMT:A:1361,invalid,,,,,C(=O)O,
,,,C1I:A:1360,valid,Kd,=,195,pM,C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O,
,,6QTJ,,,,,,,
,,,JHK:A:501,valid,ic50,=,1.8,nM,CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4c3cncc4,
,,5CEI,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,50R:A:508,valid,ic50,=,5.3,nM,CNC(=O)c1cc2c(cncc2s1)Oc3ccc(cc3)I,
,,5XS2,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,8D6:A:402,valid,,,,,c1cnccc1c2c[nH]c(c2Cl)C(=O)N,
,,5HVY,,,,,,,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,66X:A:501,valid,ic50,=,17.4,nM,CNc1nccc(n1)N2CC[C@@H](C2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCOCC4,
,,5HBE,,,,,,,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,5Y6:A:401,valid,ic50,=,2.3,nM,CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CC4)CNC(=O)O5)Cl,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5HBH,,,,,,,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,5Y7:A:401,valid,ic50,=,49.2,nM,CN1c2ccc(cc2CS1(=O)=O)c3cncc(c3N4CCC5(CCCN5CCOC)CC4)Cl,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5FGK,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,5XG:A:401,valid,ic50,=,1.7,nM,c1cc2c(cc1c3cncc(c3N4CCC5(CCNC5=O)CC4)Cl)n[nH]c2N,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,5ICP,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,69Z:A:401,valid,,,,,Cc1ncc2n1nc(s2)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl,
,,5IDN,,,,,,,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:301,invalid,,,,,C(=O)O,
,,,6A7:A:401,valid,,,,,Cc1c2cc(cnc2[nH]n1)C(=O)N3CCC[C@H]3c4ccc(cc4)Cl,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5XQX,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,8CC:A:402,valid,,,,,CNC(=O)c1cc(c[nH]1)c2ccncc2,
,,3RGF,,,,,,,
,,,BAX:A:465,valid,ic50,=,0.13,uM,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl,
,,,EDO:A:466,invalid,,,,,C(CO)O,
,,,EDO:A:467,invalid,,,,,C(CO)O,
,,,EDO:A:468,invalid,,,,,C(CO)O,
,,,EDO:A:469,invalid,,,,,C(CO)O,
,,,EDO:B:284,invalid,,,,,C(CO)O,
,,,EDO:B:285,invalid,,,,,C(CO)O,
,,,EDO:B:287,invalid,,,,,C(CO)O,
,,,EDO:B:288,invalid,,,,,C(CO)O,
,,,EDO:B:289,invalid,,,,,C(CO)O,
,,,EDO:B:290,invalid,,,,,C(CO)O,
,,,EDO:B:291,invalid,,,,,C(CO)O,
,,,GOL:B:286,invalid,,,,,C(C(CO)O)O,
,,6R3S,,,,,,,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,JRE:A:501,valid,ic50,=,910,nM,C[C@@H](c1c(cncc1Cl)c2cc3c(nc2)N(CCC3)C(=O)N)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4AUA,,,,,,,
,,,4AU:A:1302,valid,ic50,=,7.2,uM,c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc[nH]3,
,,5L2T,,,,,,,
,,,6ZZ:A:900,valid,,,,,CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5,
,,5L2S,,,,,,,
,,,6ZV:A:900,valid,,,,,CCN1CCN(CC1)Cc2ccc(nc2)Nc3ncc(c(n3)c4cc5c(c(c4)F)nc(n5C(C)C)C)F,
,Family. Representative Entry is ,6GU6,,,,,,,
,,,1QK:A:301,valid,Kd,=,1810,nM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,Family. Representative Entry is ,4NST,,,,,,,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:C:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,invalid,,,,,[Mg+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,MG:C:1104,Part of Protein,,,,,[Mg+2],
,,,MG:C:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,AF3:C:1102,valid,,,,,F[Al](F)F,
,,,AF3:A:1102,valid,,,,,F[Al](F)F,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4BCM,,,,,,,
,,,SGM:B:1433,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:1429,invalid,,,,,C([C@H](CS)O)O,
,,,T7Z:A:1297,valid,Ki,=,0.123,uM,Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N,
,,,T7Z:C:1295,valid,Ki,=,0.123,uM,Cc1ccc(cc1S(=O)(=O)N2CCOCC2)Nc3ncc(c(n3)C4=C(NC(=NC)S4)C)C#N,
,Family. Representative Entry is ,6GUE,,,,,,,
,,,FB8:A:301,valid,Kd,=,4,nM,Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C,
,,,FB8:C:301,valid,Kd,=,4,nM,Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)C,
,Family. Representative Entry is ,4AU8,,,,,,,
,,,SO4:B:1292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z3R:B:1293,valid,ic50,=,551,nM,c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N,
,,,Z3R:A:1293,valid,ic50,=,551,nM,c1ccc2c(c1)nc(s2)c3cc(sc3)S(=O)(=O)N,
,,,IMD:B:1294,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,5HQ0,,,,,,,
,,,LZ9:A:301,valid,ic50,=,10,nM,c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F,
,,5LQF,,,,,,,
,,,4SP:A:301,valid,,,,,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,,4SP:D:301,valid,,,,,c1cc(ccc1Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH]3)S(=O)(=O)N,
,,4Y72,,,,,,,
,,,LZ9:A:301,valid,ic50,=,10,nM,c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F)F,
,,6GU2,,,,,,,
,,,F9Z:A:301,valid,Kd,=,1600,nM,CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,
,Family. Representative Entry is ,5EFQ,,,,,,,
,,,MG:C:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:C:1104,Part of Protein,,,,,[Mg+2],
,,,ADP:C:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:C:1102,invalid,,,,,F[Al](F)F,
,,,AF3:A:1102,invalid,,,,,F[Al](F)F,
,Family. Representative Entry is ,4BCQ,,,,,,,
,,,TJF:A:1296,valid,Ki,=,0.147,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N,
,,,TJF:C:1295,valid,Ki,=,0.147,uM,Cc1c(sc(n1)NC)c2c(cnc(n2)Nc3cccc(c3)C(=O)N4CCOCC4)C#N,
,Family. Representative Entry is ,5LMK,,,,,,,
,,,SGM:B:501,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:D:501,invalid,,,,,C([C@H](CS)O)O,
,,,6ZK:A:301,valid,,,,,c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N,
,,,6ZK:C:301,valid,,,,,c1cc(cnc1)CNc2cc(nc3n2ncc3Br)c4ccc(cc4)c5ccc(cc5)C(=O)N,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3O0G,,,,,,,
,,,3O0:B:293,valid,Ki,=,0.6,uM,c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c(nc(s2)Nc3ccc(cc3)Cl)N,
3.4.24.-,,,,,,,,,
,Family. Representative Entry is ,3IT7,,,,,,,
,,,GOL:A:184,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:184,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:300,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:300,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:183,Part of Protein,,,,,[Zn+2],
,,,ZN:B:183,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3WV1,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,WHH:B:307,valid,ic50,=,0.0039,nM,COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F,
,,,WHH:A:307,valid,ic50,=,0.0039,nM,COc1cccc(c1)CNC(=O)C2=Nc3ccc(c(c3C(=O)N2)OCCc4ccc(cc4)C(=O)O)F,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,3KEJ,,,,,,,
,,,3EJ:A:801,valid,Ki,=,75.9,nM,c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O,
,,,3EJ:B:801,valid,Ki,=,75.9,nM,c1cc(cc(c1)F)CNC(=O)c2cc(ccn2)c3nnn(n3)Cc4ccc(cc4)C(=O)O,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,4L19,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,FMT:B:307,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:B:308,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,1UA:A:307,valid,Ki,=,0.8,uM,Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2,
,,,1UA:B:309,valid,Ki,=,0.8,uM,Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2,
,,,1UA:A:308,valid,Ki,=,0.8,uM,Cc1ccc(cc1)CSC2=NC3=C(CCC3)C(=O)N2,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:311,invalid,,,,,C(C(CO)O)O,
,,5BOT,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,4UM:A:301,valid,ic50,=,39,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N,
,,,4UM:B:301,valid,ic50,=,39,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)C(=O)N,
,,3KRY,,,,,,,
,,,3KR:A:1800,valid,ic50,=,0.1,nM,COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F,
,,,3KR:B:2800,valid,ic50,=,0.1,nM,COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F,
,,,3KR:C:3800,valid,ic50,=,0.1,nM,COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F,
,,,3KR:D:4800,valid,ic50,=,0.1,nM,COCCN1CCC(CC1)(C(=O)N=O)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)OC(F)(F)F,
,,,CA:A:1996,Part of Protein,,,,,[Ca+2],
,,,CA:A:1997,Part of Protein,,,,,[Ca+2],
,,,CA:B:2996,Part of Protein,,,,,[Ca+2],
,,,CA:B:2997,Part of Protein,,,,,[Ca+2],
,,,CA:C:3996,Part of Protein,,,,,[Ca+2],
,,,CA:C:3997,Part of Protein,,,,,[Ca+2],
,,,CA:D:4996,Part of Protein,,,,,[Ca+2],
,,,CA:D:4997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2999,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3998,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3999,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4998,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4999,Part of Protein,,,,,[Zn+2],
,,1XUD,,,,,,,
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,CA:B:1264,Part of Protein,,,,,[Ca+2],
,,,CA:B:1265,Part of Protein,,,,,[Ca+2],
,,,PB4:A:2001,valid,ic50,=,8,nM,Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F,
,,,PB4:B:3001,valid,ic50,=,8,nM,Cc1cc(ccc1F)CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(c(c3)C)F,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1262,Part of Protein,,,,,[Zn+2],
,,3I7I,,,,,,,
,,,518:A:999,valid,ic50,=,620,nM,CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)NC(=O)c4cc5ccccc5o4,
,,,CA:A:1263,Part of Protein,,,,,[Ca+2],
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,CA:B:2263,Part of Protein,,,,,[Ca+2],
,,,CA:B:2264,Part of Protein,,,,,[Ca+2],
,,,CA:B:2265,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2262,Part of Protein,,,,,[Zn+2],
,,5BPA,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,4UF:B:306,valid,ic50,=,0.001,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O,
,,,4UF:A:306,valid,ic50,=,0.001,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,4JPA,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,AZ6:A:306,valid,ic50,=,3.3,nM,C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N,
,,,AZ6:B:306,valid,ic50,=,3.3,nM,C[C@]1(C(=O)NC(=O)N1)CS(=O)(=O)N2CCN(CC2)c3ncc(cn3)OCc4cccc(c4)C#N,
,,5B5O,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,WMM:A:307,valid,ic50,=,1900,nM,c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3,
,,,WMM:B:306,valid,ic50,=,1900,nM,c1ccc(cc1)Nc2nc(cs2)CSc3[nH]cnn3,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,2OW9,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:B:608,Part of Protein,,,,,[Ca+2],
,,,CA:B:609,Part of Protein,,,,,[Ca+2],
,,,CA:B:610,Part of Protein,,,,,[Ca+2],
,,,CA:B:611,Part of Protein,,,,,[Ca+2],
,,,HAE:A:502,valid,,,,,CC(=O)NO,
,,,HAE:B:502,valid,,,,,CC(=O)NO,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SP6:A:501,valid,ic50,=,30,nM,c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4,
,,,SP6:B:501,valid,ic50,=,30,nM,c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:606,Part of Protein,,,,,[Zn+2],
,,,ZN:B:607,Part of Protein,,,,,[Zn+2],
,,3ELM,,,,,,,
,,,24F:A:400,valid,Ki,=,0.19,nM,CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O,
,,,24F:B:400,valid,Ki,=,0.19,nM,CCOc1ccc(cc1)c2ccc(s2)S(=O)(=O)N[C@H](C3CCN(CC3)C(=O)OC(C)C)C(=O)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,1CXV,,,,,,,
,,,CA:A:5,Part of Protein,,,,,[Ca+2],
,,,CA:A:7,Part of Protein,,,,,[Ca+2],
,,,CA:B:6,Part of Protein,,,,,[Ca+2],
,,,CA:B:8,Part of Protein,,,,,[Ca+2],
,,,CBP:A:10,valid,,,,,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO,
,,,CBP:B:11,valid,,,,,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,4A7B,,,,,,,
,,,3W4:B:1000,valid,,,,,c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@@H]5CCCS(=O)(=O)C5,
,,,3W5:A:1000,valid,,,,,c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)N[C@H]5CCCS(=O)(=O)C5,
,,,CA:A:1277,Part of Protein,,,,,[Ca+2],
,,,CA:A:1279,Part of Protein,,,,,[Ca+2],
,,,CA:B:1275,Part of Protein,,,,,[Ca+2],
,,,CA:B:1276,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1271,invalid,,,,,C(C(CO)O)O,
,,,HAE:A:1273,valid,,,,,CC(=O)NO,
,,,HAE:B:1270,valid,,,,,CC(=O)NO,
,,,NA:A:1280,Part of Protein,,,,,[Na+],
,,,NA:B:1277,Part of Protein,,,,,[Na+],
,,,ZN:A:1276,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1278,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1273,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1274,Part of Protein,,,,,[Zn+2],
,,3WV2,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,WGG:A:306,valid,ic50,=,12,nM,COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2,
,,,WGG:B:306,valid,ic50,=,12,nM,COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2,
,,4JP4,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,AZ4:A:306,valid,,,,,c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F,
,,,AZ4:B:306,valid,,,,,c1c(cnc(n1)N2CCN(CC2)S(=O)(=O)C[C@H](CCc3ncc(cn3)F)N(C=O)O)OCC(F)(F)F,
,,2OZR,,,,,,,
,,,CA:A:4003,Part of Protein,,,,,[Ca+2],
,,,CA:A:4004,Part of Protein,,,,,[Ca+2],
,,,CA:A:4005,Part of Protein,,,,,[Ca+2],
,,,CA:B:4008,Part of Protein,,,,,[Ca+2],
,,,CA:B:4009,Part of Protein,,,,,[Ca+2],
,,,CA:B:4010,Part of Protein,,,,,[Ca+2],
,,,CA:C:4013,Part of Protein,,,,,[Ca+2],
,,,CA:C:4014,Part of Protein,,,,,[Ca+2],
,,,CA:C:4015,Part of Protein,,,,,[Ca+2],
,,,CA:D:4018,Part of Protein,,,,,[Ca+2],
,,,CA:D:4019,Part of Protein,,,,,[Ca+2],
,,,CA:D:4020,Part of Protein,,,,,[Ca+2],
,,,CA:E:4023,Part of Protein,,,,,[Ca+2],
,,,CA:E:4024,Part of Protein,,,,,[Ca+2],
,,,CA:E:4025,Part of Protein,,,,,[Ca+2],
,,,CA:F:4028,Part of Protein,,,,,[Ca+2],
,,,CA:F:4029,Part of Protein,,,,,[Ca+2],
,,,CA:F:4030,Part of Protein,,,,,[Ca+2],
,,,CA:G:4033,Part of Protein,,,,,[Ca+2],
,,,CA:G:4034,Part of Protein,,,,,[Ca+2],
,,,CA:G:4035,Part of Protein,,,,,[Ca+2],
,,,CA:H:4038,Part of Protein,,,,,[Ca+2],
,,,CA:H:4039,Part of Protein,,,,,[Ca+2],
,,,CA:H:4040,Part of Protein,,,,,[Ca+2],
,,,GG1:A:2001,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:B:2002,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:C:2003,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:D:2004,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:E:2005,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:F:2006,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:G:2007,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,GG1:H:2008,valid,ic50,=,0.67,nM,CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)O)C#CCc4ccccc4,
,,,HAE:C:3001,valid,,,,,CC(=O)NO,
,,,HAE:D:3002,valid,,,,,CC(=O)NO,
,,,HAE:E:3003,valid,,,,,CC(=O)NO,
,,,HAE:F:3004,valid,,,,,CC(=O)NO,
,,,ZN:A:4001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4007,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4011,Part of Protein,,,,,[Zn+2],
,,,ZN:C:4012,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4016,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4017,Part of Protein,,,,,[Zn+2],
,,,ZN:E:4021,Part of Protein,,,,,[Zn+2],
,,,ZN:E:4022,Part of Protein,,,,,[Zn+2],
,,,ZN:F:4026,Part of Protein,,,,,[Zn+2],
,,,ZN:F:4027,Part of Protein,,,,,[Zn+2],
,,,ZN:G:4031,Part of Protein,,,,,[Zn+2],
,,,ZN:G:4032,Part of Protein,,,,,[Zn+2],
,,,ZN:H:4036,Part of Protein,,,,,[Zn+2],
,,,ZN:H:4037,Part of Protein,,,,,[Zn+2],
,,5UWK,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,8OM:B:306,valid,Ki,=,2.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3,
,,,8OM:A:306,valid,Ki,=,2.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1YOU,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,PFD:A:998,valid,ic50,=,0.87,nM,CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F,
,,,PFD:B:999,valid,ic50,=,0.87,nM,CCOCCC1(C(=O)NC(=O)NC1=O)Oc2ccc(cc2)Oc3ccc(cc3)F,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,830C,,,,,,,
,,,CA:A:274,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,RS1:A:1,valid,Ki,=,0.52,nM,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO,
,,,RS1:B:1,valid,Ki,=,0.52,nM,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)CC3(CCOCC3)C(=O)NO,
,,,ZN:A:272,Part of Protein,,,,,[Zn+2],
,,,ZN:A:273,Part of Protein,,,,,[Zn+2],
,,,ZN:B:272,Part of Protein,,,,,[Zn+2],
,,,ZN:B:273,Part of Protein,,,,,[Zn+2],
,,5BOY,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,4UE:A:306,valid,ic50,=,2.5,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C,
,,,4UE:B:306,valid,ic50,=,2.5,uM,CCOC(=O)c1cc2cc(ccc2[nH]1)c3cncn3C,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3I7G,,,,,,,
,,,732:A:999,valid,ic50,=,430,nM,CNC(=O)[C@H](C1CCCCC1)NC(=O)c2ccc(o2)c3ccc(cc3)Cl,
,,,CA:A:1263,Part of Protein,,,,,[Ca+2],
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,CA:B:2263,Part of Protein,,,,,[Ca+2],
,,,CA:B:2264,Part of Protein,,,,,[Ca+2],
,,,CA:B:2265,Part of Protein,,,,,[Ca+2],
,,,FMT:A:2,invalid,,,,,C(=O)O,
,,,FMT:B:3,invalid,,,,,C(=O)O,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2262,Part of Protein,,,,,[Zn+2],
,,1XUC,,,,,,,
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,CA:B:1264,Part of Protein,,,,,[Ca+2],
,,,CA:B:1265,Part of Protein,,,,,[Ca+2],
,,,PB3:A:2001,valid,ic50,=,72,nM,Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C,
,,,PB3:B:3001,valid,ic50,=,72,nM,Cc1cccc(c1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccc(c3)C,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1262,Part of Protein,,,,,[Zn+2],
,,1ZTQ,,,,,,,
,,,033:A:601,valid,ic50,=,1.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3,
,,,033:B:602,valid,ic50,=,1.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3,
,,,033:C:603,valid,ic50,=,1.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3,
,,,033:D:604,valid,ic50,=,1.3,nM,CC(C)[C@@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)NC(=O)c3cc4ccccc4o3,
,,,CA:A:560,Part of Protein,,,,,[Ca+2],
,,,CA:A:561,Part of Protein,,,,,[Ca+2],
,,,CA:A:562,Part of Protein,,,,,[Ca+2],
,,,CA:B:563,Part of Protein,,,,,[Ca+2],
,,,CA:B:564,Part of Protein,,,,,[Ca+2],
,,,CA:B:565,Part of Protein,,,,,[Ca+2],
,,,CA:C:566,Part of Protein,,,,,[Ca+2],
,,,CA:C:567,Part of Protein,,,,,[Ca+2],
,,,CA:C:568,Part of Protein,,,,,[Ca+2],
,,,CA:D:569,Part of Protein,,,,,[Ca+2],
,,,CA:D:570,Part of Protein,,,,,[Ca+2],
,,,CA:D:571,Part of Protein,,,,,[Ca+2],
,,,ZN:A:550,Part of Protein,,,,,[Zn+2],
,,,ZN:A:551,Part of Protein,,,,,[Zn+2],
,,,ZN:B:552,Part of Protein,,,,,[Zn+2],
,,,ZN:B:553,Part of Protein,,,,,[Zn+2],
,,,ZN:C:554,Part of Protein,,,,,[Zn+2],
,,,ZN:C:555,Part of Protein,,,,,[Zn+2],
,,,ZN:D:556,Part of Protein,,,,,[Zn+2],
,,,ZN:D:557,Part of Protein,,,,,[Zn+2],
,,456C,,,,,,,
,,,CA:A:274,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,CBP:A:1,valid,Ki,=,0.17,nM,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO,
,,,CBP:B:1,valid,Ki,=,0.17,nM,c1cc(ccc1Oc2ccc(cc2)Cl)S(=O)(=O)C3(CCOCC3)CC(=O)NO,
,,,ZN:A:272,Part of Protein,,,,,[Zn+2],
,,,ZN:A:273,Part of Protein,,,,,[Zn+2],
,,,ZN:B:272,Part of Protein,,,,,[Zn+2],
,,,ZN:B:273,Part of Protein,,,,,[Zn+2],
,,1XUR,,,,,,,
,,,CA:A:1264,Part of Protein,,,,,[Ca+2],
,,,CA:A:1265,Part of Protein,,,,,[Ca+2],
,,,CA:B:1264,Part of Protein,,,,,[Ca+2],
,,,CA:B:1265,Part of Protein,,,,,[Ca+2],
,,,PB5:A:2001,valid,ic50,=,6600,nM,c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3,
,,,PB5:B:3001,valid,ic50,=,6600,nM,c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cccnc3,
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1262,Part of Protein,,,,,[Zn+2],
,,2D1N,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:A:273,Part of Protein,,,,,[Ca+2],
,,,CA:A:274,Part of Protein,,,,,[Ca+2],
,,,CA:B:282,Part of Protein,,,,,[Ca+2],
,,,CA:B:283,Part of Protein,,,,,[Ca+2],
,,,CA:B:284,Part of Protein,,,,,[Ca+2],
,,,FA4:A:1001,valid,Ki,=,0.007,uM,[H]/N=C(/N)NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO,
,,,FA4:B:1002,valid,Ki,=,0.007,uM,[H]/N=C(/N)NCc1ccccc1CCCCCCCCCC(=O)N[C@H](CCCCN)C(=O)NO,
,,,ZN:A:270,Part of Protein,,,,,[Zn+2],
,,,ZN:A:271,Part of Protein,,,,,[Zn+2],
,,,ZN:A:285,Part of Protein,,,,,[Zn+2],
,,,ZN:A:286,Part of Protein,,,,,[Zn+2],
,,,ZN:B:280,Part of Protein,,,,,[Zn+2],
,,,ZN:B:281,Part of Protein,,,,,[Zn+2],
,,3KEC,,,,,,,
,,,3KE:A:271,valid,ic50,=,58,nM,COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O,
,,,3KE:B:2,valid,ic50,=,58,nM,COc1ccc(cc1)Cn2nc(nn2)c3cccc(c3)C(=O)NCc4ccc(cc4)C(=O)O,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
,,,HAE:A:272,invalid,,,,,CC(=O)NO,
,,,HAE:B:271,invalid,,,,,CC(=O)NO,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,5UWM,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,8OA:B:306,valid,ic50,=,356,nM,CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3,
,,,8OA:A:306,valid,ic50,=,356,nM,CC(C)[C@H](C(=O)NC)NC(=O)c1ccc(o1)c2ccc(cc2)CSC3=NC4=C(CCC4)C(=O)N3,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,VAL THR PRO LEU ASN:D:212,invalid,,,,,,
,,,VAL THR PRO LEU ASN:C:211,invalid,,,,,,
,,3TVC,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,E3P:A:1,valid,Ki,=,18,nM,c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,PEG:A:2,invalid,,,,,C(COCCO)O,
,,,PEG:A:273,invalid,,,,,C(COCCO)O,
,,,PEG:A:3,invalid,,,,,C(COCCO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,3ZXH,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,E41:A:401,valid,,,,,CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,
,,,E41:B:401,valid,,,,,CC(C)CCN([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1270,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1273,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,3KEK,,,,,,,
,,,3EK:A:801,valid,Ki,=,4.4,nM,Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O,
,,,3EK:B:801,valid,Ki,=,4.4,nM,Cc1cc(cc(n1)C(=O)NCc2ccc(cc2)F)c3ncn(n3)CC4CCC(CC4)C(=O)O,
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,3WV3,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,WLL:B:308,valid,ic50,=,24,nM,COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2,
,,,WLL:A:308,valid,ic50,=,24,nM,COc1cccc(c1)CNC(=O)C2=Nc3c(ccs3)C(=O)N2,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,2YIG,,,,,,,
,,,5EL:A:301,valid,ic50,=,79.4,nM,c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5,
,,,5EL:B:301,valid,ic50,=,79.4,nM,c1cc(ccc1C#C[C@@]2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NCc5ccncc5,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,5B5P,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,WNN:A:306,valid,ic50,=,0.2,nM,c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4,
,,,WNN:B:306,valid,ic50,=,0.2,nM,c1ccc2c(c1)C(=O)NC(=N2)C(=O)NCc3cccc(c3)OCCSc4nc[nH]n4,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3LJZ,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:996,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,CA:C:996,Part of Protein,,,,,[Ca+2],
,,,CA:C:997,Part of Protein,,,,,[Ca+2],
,,,CA:D:996,Part of Protein,,,,,[Ca+2],
,,,CA:D:997,Part of Protein,,,,,[Ca+2],
,,,EPE:B:3,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:2,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:4,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,LA3:A:801,valid,Ki,=,7.3,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O,
,,,LA3:B:802,valid,Ki,=,7.3,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O,
,,,LA3:C:803,valid,Ki,=,7.3,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O,
,,,LA3:D:804,valid,Ki,=,7.3,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,,ZN:C:998,Part of Protein,,,,,[Zn+2],
,,,ZN:C:999,Part of Protein,,,,,[Zn+2],
,,,ZN:D:998,Part of Protein,,,,,[Zn+2],
,,,ZN:D:999,Part of Protein,,,,,[Zn+2],
,,6HV2,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ILE MET ILE SER PHE:B:163,valid,,,,,S(CCC(NC(=O)C([NH3+])C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CO)C(CC)C)C,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3HBV,,,,,,,
,,,ALA LYS ALA SER GLN ALA ALA:Z:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)CCC(=O)N)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCC[NH3+])C)CO,
,,,CA:P:480,Part of Protein,,,,,[Ca+2],
,,,CA:P:481,Part of Protein,,,,,[Ca+2],
,,,CA:P:482,Part of Protein,,,,,[Ca+2],
,,,CA:P:483,Part of Protein,,,,,[Ca+2],
,,,CA:P:484,Part of Protein,,,,,[Ca+2],
,,,CA:P:485,Part of Protein,,,,,[Ca+2],
,,,CA:P:487,Part of Protein,,,,,[Ca+2],
,,,CL:P:1,invalid,,,,,[Cl-],
,,,CL:P:3,invalid,,,,,[Cl-],
,,,CL:P:600,invalid,,,,,[Cl-],
,,,CL:P:601,invalid,,,,,[Cl-],
,,,ZN:P:486,Part of Protein,,,,,[Zn+2],
,,,ZN:P:488,Part of Protein,,,,,[Zn+2],
,,3HDA,,,,,,,
,,,ALA GLU ALA ALA GLN ALA:Z:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)N)C)C)C(NC(=O)C([NH3+])C)CCC(=O)[O-],
,,,CA:P:480,Part of Protein,,,,,[Ca+2],
,,,CA:P:481,Part of Protein,,,,,[Ca+2],
,,,CA:P:482,Part of Protein,,,,,[Ca+2],
,,,CA:P:483,Part of Protein,,,,,[Ca+2],
,,,CA:P:484,Part of Protein,,,,,[Ca+2],
,,,CA:P:485,Part of Protein,,,,,[Ca+2],
,,,CA:P:487,Part of Protein,,,,,[Ca+2],
,,,CL:P:1,invalid,,,,,[Cl-],
,,,CL:P:3,invalid,,,,,[Cl-],
,,3HBU,,,,,,,
,,,ALA LYS ALA ALA:Z:1,valid,,,,,O=C(NC(C(=O)NC(C=O)C)C)C(NC(=O)C([NH3+])C)CCCC[NH3+],
,,,CA:P:480,Part of Protein,,,,,[Ca+2],
,,,CA:P:481,Part of Protein,,,,,[Ca+2],
,,,CA:P:482,Part of Protein,,,,,[Ca+2],
,,,CA:P:483,Part of Protein,,,,,[Ca+2],
,,,CA:P:484,Part of Protein,,,,,[Ca+2],
,,,CA:P:485,Part of Protein,,,,,[Ca+2],
,,,CA:P:489,Part of Protein,,,,,[Ca+2],
,,,CL:P:1,invalid,,,,,[Cl-],
,,,CL:P:490,invalid,,,,,[Cl-],
,,,ZN:P:486,Part of Protein,,,,,[Zn+2],
,,,ZN:P:487,Part of Protein,,,,,[Zn+2],
,,,ZN:P:488,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1R55,,,,,,,
,,,097:A:518,valid,,,,,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,CA:A:515,Part of Protein,,,,,[Ca+2],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:A:517,invalid,,,,,[Cl-],
,,,NAG NAG MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2QZ4,,,,,,,
,,,ADP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2J83,,,,,,,
,,,BAT:A:996,valid,ic50,=,61,uM,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,BAT:B:996,valid,ic50,=,61,uM,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:B:2326,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:998,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1328,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1326,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1327,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,3LUM,,,,,,,
,,,ARG VAL:A:501,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C,
,,,ARG VAL:B:501,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C,
,,,ARG VAL:C:501,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C,
,,,ARG VAL:D:501,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C,
,,,CA:A:1401,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:B:1401,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:998,Part of Protein,,,,,[Ca+2],
,,,CA:C:997,Part of Protein,,,,,[Ca+2],
,,,CA:C:998,Part of Protein,,,,,[Ca+2],
,,,CA:D:1401,Part of Protein,,,,,[Ca+2],
,,,CA:D:997,Part of Protein,,,,,[Ca+2],
,,,CA:D:998,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1407,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1410,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1409,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,,ZN:C:999,Part of Protein,,,,,[Zn+2],
,,,ZN:D:999,Part of Protein,,,,,[Zn+2],
,,3LUN,,,,,,,
,,,ARG VAL:B:501,valid,,,,,O=C([O-])C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C,
,,,CA:A:1400,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:B:1401,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:998,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1405,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3HY9,,,,,,,
,,,098:A:801,valid,ic50,=,17,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,098:B:801,valid,ic50,=,17,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3HYG,,,,,,,
,,,099:A:801,valid,ic50,=,93,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O,
,,,099:B:801,valid,ic50,=,93,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)CC(=O)NO)O,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3B8Z,,,,,,,
,,,294:A:801,valid,ic50,=,0.29,uM,c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO,
,,,294:B:801,valid,ic50,=,0.29,uM,c1cc(ccc1C(F)(F)F)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)C(=O)NO,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3HY7,,,,,,,
,,,097:A:801,valid,ic50,=,106,nM,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,097:B:801,valid,ic50,=,106,nM,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3LJT,,,,,,,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,LA3:A:801,valid,ic50,=,129,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3ccc(cc3)c4ccc5c(c4)OCO5)CC(=O)NO)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4DD8,,,,,,,
,,,BAT:A:1000,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,BAT:B:1000,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,BAT:C:1000,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,BAT:D:1000,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:C:1001,Part of Protein,,,,,[Ca+2],
,,,CA:D:1001,Part of Protein,,,,,[Ca+2],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:B:1004,invalid,,,,,[Cl-],
,,,CL:C:1004,invalid,,,,,[Cl-],
,,,CL:D:1004,invalid,,,,,[Cl-],
,,,K:A:1006,Part of Protein,,,,,[K+],
,,,K:A:1007,Part of Protein,,,,,[K+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1005,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,NA:B:1005,Part of Protein,,,,,[Na+],
,,,NA:C:1003,Part of Protein,,,,,[Na+],
,,,NA:C:1005,Part of Protein,,,,,[Na+],
,,,NA:D:1003,Part of Protein,,,,,[Na+],
,,,NA:D:1005,Part of Protein,,,,,[Na+],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4K90,,,,,,,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,BO3:A:706,invalid,,,,,B(O)(O)O,
,,,BO3:B:304,invalid,,,,,B(O)(O)O,
,,,BO3:A:705,invalid,,,,,B(O)(O)O,
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,MLA:A:704,valid,,,,,C(C(=O)O)C(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4L6T,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,BGC GAL SIA NGA GAL:I:1,valid,Kd,=,32,nM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:J:1,valid,Kd,=,32,nM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:H:1,valid,Kd,=,32,nM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:G:1,valid,Kd,=,32,nM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:K:1,valid,Kd,=,32,nM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,3Q2H,,,,,,,
,,,CD:A:501,invalid,,,,,[Cd+2],
,,,CD:A:502,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:B:605,invalid,,,,,[Cd+2],
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:A:621,Part of Protein,,,,,[Mg+2],
,,,MG:B:616,Part of Protein,,,,,[Mg+2],
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,NI:A:503,Part of Protein,,,,,[Ni+2],
,,,NI:A:504,Part of Protein,,,,,[Ni+2],
,,,NI:A:601,Part of Protein,,,,,[Ni+2],
,,,NI:A:607,Part of Protein,,,,,[Ni+2],
,,,NI:A:609,Part of Protein,,,,,[Ni+2],
,,,NI:A:611,Part of Protein,,,,,[Ni+2],
,,,NI:A:612,Part of Protein,,,,,[Ni+2],
,,,NI:A:613,Part of Protein,,,,,[Ni+2],
,,,NI:A:615,Part of Protein,,,,,[Ni+2],
,,,NI:B:604,Part of Protein,,,,,[Ni+2],
,,,NI:B:606,Part of Protein,,,,,[Ni+2],
,,,NI:B:617,Part of Protein,,,,,[Ni+2],
,,,NI:B:618,Part of Protein,,,,,[Ni+2],
,,,NI:B:619,Part of Protein,,,,,[Ni+2],
,,,QHF:A:1,valid,ic50,=,0.69,nM,Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O,
,,,QHF:B:2,valid,ic50,=,0.69,nM,Cc1c(c(on1)C)CCC2CCN(CC2)S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(cn3)F)N(C=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2JIH,,,,,,,
,,,097:A:1001,valid,,,,,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,097:B:1001,valid,,,,,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,CD:A:1554,invalid,,,,,[Cd+2],
,,,CD:A:1555,invalid,,,,,[Cd+2],
,,,CD:A:1557,invalid,,,,,[Cd+2],
,,,CD:A:1558,invalid,,,,,[Cd+2],
,,,CD:B:1555,invalid,,,,,[Cd+2],
,,,CD:B:1557,invalid,,,,,[Cd+2],
,,,MG:A:1560,Part of Protein,,,,,[Mg+2],
,,,MG:A:1569,Part of Protein,,,,,[Mg+2],
,,,MG:B:1560,Part of Protein,,,,,[Mg+2],
,,,MG:B:1562,Part of Protein,,,,,[Mg+2],
,,,MG:B:1566,Part of Protein,,,,,[Mg+2],
,,,MG:B:1567,Part of Protein,,,,,[Mg+2],
,,,NA:A:1565,Part of Protein,,,,,[Na+],
,,,NA:A:1566,Part of Protein,,,,,[Na+],
,,,NA:A:1567,Part of Protein,,,,,[Na+],
,,,NA:B:1564,Part of Protein,,,,,[Na+],
,,,NA:B:1565,Part of Protein,,,,,[Na+],
,,,NI:A:1556,Part of Protein,,,,,[Ni+2],
,,,NI:A:1559,Part of Protein,,,,,[Ni+2],
,,,NI:A:1561,Part of Protein,,,,,[Ni+2],
,,,NI:A:1562,Part of Protein,,,,,[Ni+2],
,,,NI:A:1563,Part of Protein,,,,,[Ni+2],
,,,NI:A:1564,Part of Protein,,,,,[Ni+2],
,,,NI:A:1568,Part of Protein,,,,,[Ni+2],
,,,NI:B:1556,Part of Protein,,,,,[Ni+2],
,,,NI:B:1558,Part of Protein,,,,,[Ni+2],
,,,NI:B:1559,Part of Protein,,,,,[Ni+2],
,,,NI:B:1561,Part of Protein,,,,,[Ni+2],
,,,NI:B:1563,Part of Protein,,,,,[Ni+2],
,,,ZN:A:1553,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1554,Part of Protein,,,,,[Zn+2],
,,3Q2G,,,,,,,
,,,CD:A:501,invalid,,,,,[Cd+2],
,,,CD:A:502,invalid,,,,,[Cd+2],
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:B:605,invalid,,,,,[Cd+2],
,,,MG:A:621,Part of Protein,,,,,[Mg+2],
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NI:A:504,Part of Protein,,,,,[Ni+2],
,,,NI:A:607,Part of Protein,,,,,[Ni+2],
,,,NI:A:609,Part of Protein,,,,,[Ni+2],
,,,NI:A:611,Part of Protein,,,,,[Ni+2],
,,,NI:A:612,Part of Protein,,,,,[Ni+2],
,,,NI:A:613,Part of Protein,,,,,[Ni+2],
,,,NI:A:615,Part of Protein,,,,,[Ni+2],
,,,NI:B:503,Part of Protein,,,,,[Ni+2],
,,,NI:B:505,Part of Protein,,,,,[Ni+2],
,,,NI:B:604,Part of Protein,,,,,[Ni+2],
,,,NI:B:606,Part of Protein,,,,,[Ni+2],
,,,NI:B:617,Part of Protein,,,,,[Ni+2],
,,,NI:B:618,Part of Protein,,,,,[Ni+2],
,,,NI:B:619,Part of Protein,,,,,[Ni+2],
,,,QGF:A:1,valid,ic50,=,3.5,nM,C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F,
,,,QGF:B:2,valid,ic50,=,3.5,nM,C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CC1)OCc2ccc(cc2Cl)Cl)N(C=O)O)c3ncc(cn3)F,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3HDB,,,,,,,
,,,2PE:A:650,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:651,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:652,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:653,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CA:A:621,Part of Protein,,,,,[Ca+2],
,,,CA:A:622,Part of Protein,,,,,[Ca+2],
,,,CA:A:623,Part of Protein,,,,,[Ca+2],
,,,CA:A:654,Part of Protein,,,,,[Ca+2],
,,,CA:A:655,Part of Protein,,,,,[Ca+2],
,,,CA:A:656,Part of Protein,,,,,[Ca+2],
,,,CA:A:657,Part of Protein,,,,,[Ca+2],
,,,CL:A:658,invalid,,,,,[Cl-],
,,,LYS ASN LEU:L:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(=O)N)CC(C)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:620,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1RM8,,,,,,,
,,,BAT:A:800,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1YP1,,,,,,,
,,,LYS ASN LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(=O)N)CC(C)C,
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KAP,,,,,,,
,,,CA:P:614,Part of Protein,,,,,[Ca+2],
,,,CA:P:615,Part of Protein,,,,,[Ca+2],
,,,CA:P:616,Part of Protein,,,,,[Ca+2],
,,,CA:P:617,Part of Protein,,,,,[Ca+2],
,,,CA:P:618,Part of Protein,,,,,[Ca+2],
,,,CA:P:619,Part of Protein,,,,,[Ca+2],
,,,CA:P:620,Part of Protein,,,,,[Ca+2],
,,,CA:P:621,Part of Protein,,,,,[Ca+2],
,,,GLY SER ASN SER:I:751,valid,,,,,,
,,,ZN:P:613,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2W14,,,,,,,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1206,invalid,,,,,c1c[nH+]c[nH]1,
,,,WR2:A:1204,valid,ic50,=,22.2,uM,CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,2W12,,,,,,,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,WR2:A:1204,valid,,,,,CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,2W15,,,,,,,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,WR2:A:1204,valid,,,,,CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
,,2W13,,,,,,,
,,,ACT:A:1206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1208,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1207,invalid,,,,,C(C(CO)O)O,
,,,WR2:A:1204,valid,,,,,CC(C)C[C@H]([C@H](CNC(=O)c1nccs1)C(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C,
,,,ZN:A:1203,Part of Protein,,,,,[Zn+2],
4.1.2.10,,,,,,,,,
,Family. Representative Entry is ,3GDN,,,,,,,
,,,FAD:A:522,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:522,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HBX:A:530,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:B:533,valid,,,,,c1ccc(cc1)C=O,
,,,MXN:A:531,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:A:532,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:B:534,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:B:535,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,NAG:A:523,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:532,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN:C:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA MAN:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA MAN:E:1,Part of Protein,,,,,,
,,3GDP,,,,,,,
,,,FAD:A:523,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:523,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IPA:A:522,invalid,,,,,CC(C)O,
,,,IPA:B:522,invalid,,,,,CC(C)O,
,,,NAG:A:524,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:533,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:534,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:D:1,Part of Protein,,,,,,
,,,NAG FUL NAG MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NDG:B:533,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NAG FUC NAG BMA MAN:E:1,Part of Protein,,,,,,
,,1JU2,,,,,,,
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IPA:A:4001,invalid,,,,,CC(C)O,
,,,IPA:B:4002,invalid,,,,,CC(C)O,
,,,NAG:A:607,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:607,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA:H:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA BMA:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA BMA:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:C:1,Part of Protein,,,,,,
3.2.1.57,,,,,,,,,
,Family. Representative Entry is ,2Z8G,,,,,,,
,,,NAG:A:1000,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1002,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1008,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1010,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1000,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1002,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1003,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1004,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1005,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1006,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1007,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1008,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1009,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1010,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
2.5.1.22,,,,,,,,,
,Family. Representative Entry is ,3C6K,,,,,,,
,,,MTA:A:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SPD:A:501,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:501,valid,,,,,C(CCNCCCN)CN,
,,,SPD:C:501,valid,,,,,C(CCNCCCN)CN,
,,,SPD:D:501,valid,,,,,C(CCNCCCN)CN,
,,3C6M,,,,,,,
,,,MTA:A:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:401,valid,Ki,=,0.3,uM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SPM:A:501,valid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:501,valid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:C:501,valid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:D:501,valid,,,,,C(CCNCCCN)CNCCCN,
2.7.1.145,,,,,,,,,
,Family. Representative Entry is ,1OE0,,,,,,,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,MG:C:400,Part of Protein,,,,,[Mg+2],
,,,MG:D:400,Part of Protein,,,,,[Mg+2],
,,,TTP:A:300,valid,Ki,=,5.3,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:300,valid,Ki,=,5.3,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:300,valid,Ki,=,5.3,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:300,valid,Ki,=,5.3,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,2VP5,,,,,,,
,,,DCZ:A:1210,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,DCZ:B:1210,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JCS,,,,,,,
,,,MG:A:1211,Part of Protein,,,,,[Mg+2],
,,,MG:B:1211,Part of Protein,,,,,[Mg+2],
,,,TTP:A:1210,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1210,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,2VPP,,,,,,,
,,,GEO:A:1210,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,
,,,GEO:B:1207,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VP2,,,,,,,
,,,DGT:A:1210,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:1209,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,1ZM7,,,,,,,
,,,MG:D:400,Part of Protein,,,,,[Mg+2],
,,,TTP:A:300,valid,ic50,>,1000,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:301,valid,ic50,>,1000,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:302,valid,ic50,>,1000,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:303,valid,ic50,>,1000,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,2VP0,,,,,,,
,,,MG:A:1209,Part of Protein,,,,,[Mg+2],
,,,MG:B:1209,Part of Protein,,,,,[Mg+2],
,,,TTP:A:1210,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1210,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1OT3,,,,,,,
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:1400,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:1406,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:1405,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:1401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:E:1402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:F:1404,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:G:1403,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:H:1407,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,2VP4,,,,,,,
,,,DCP:A:1210,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:1210,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:C:1209,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:D:1211,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
3.6.3.51,,,,,,,,,
,Family. Representative Entry is ,3LDQ,,,,,,,
,,,3P1:A:401,valid,Kd,=,2.41,uM,c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N,
,,5AQP,,,,,,,
,,,GOL:E:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,1LQ:E:1382,valid,,,,,c1ccc2c(c1)c(ncn2)N,
,,,1LQ:C:1382,valid,,,,,c1ccc2c(c1)c(ncn2)N,
,,,1LQ:A:1382,valid,,,,,c1ccc2c(c1)c(ncn2)N,
,,,TRS:A:1386,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1389,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DMS:C:1388,invalid,,,,,CS(=O)C,
,,,DMS:E:1386,invalid,,,,,CS(=O)C,
,,,DMS:C:1387,invalid,,,,,CS(=O)C,
,,,DMS:A:1384,invalid,,,,,CS(=O)C,
,,,DMS:A:1385,invalid,,,,,CS(=O)C,
,,5AQO,,,,,,,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1382,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1382,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1382,invalid,,,,,C(C(CO)O)O,
,,,TRS:E:1386,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1385,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1392,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DMS:A:1386,invalid,,,,,CS(=O)C,
,,,DMS:E:1387,invalid,,,,,CS(=O)C,
,,,DMS:C:1393,invalid,,,,,CS(=O)C,
,,,CL:E:1388,invalid,,,,,[Cl-],
,,,CL:A:1387,invalid,,,,,[Cl-],
,,,CL:C:1394,invalid,,,,,[Cl-],
,,,CWS:A:1384,valid,,,,,Cc1ccc2c(c1)c(ncn2)N,
,,,CWS:C:1391,valid,,,,,Cc1ccc2c(c1)c(ncn2)N,
,,,CWS:E:1385,valid,,,,,Cc1ccc2c(c1)c(ncn2)N,
,,3FZL,,,,,,,
,,,3FD:A:401,valid,,,,,c1cc(ccc1COC[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(c(ncn4)N)nc3NCc5ccc(c(c5)Cl)Cl)O)O)C#N,
,,,TRS:A:382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5AQV,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1391,invalid,,,,,CS(=O)C,
,,,DMS:A:1390,invalid,,,,,CS(=O)C,
,,,DMS:A:1389,invalid,,,,,CS(=O)C,
,,,TRS:A:1383,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,KC7:A:1382,valid,,,,,c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO,
,,3FZH,,,,,,,
,,,3BH:A:401,valid,,,,,c1nc(c2c(n1)n(c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,3FZK,,,,,,,
,,,3BK:A:401,valid,,,,,c1cc(c(cc1CNc2nc3c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)Cl)Cl,
,,,CL:A:383,invalid,,,,,[Cl-],
,,,TRS:A:382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3FZF,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5AQN,,,,,,,
,,,DMS:C:1386,invalid,,,,,CS(=O)C,
,,,DMS:E:1385,invalid,,,,,CS(=O)C,
,,,DMS:A:1387,invalid,,,,,CS(=O)C,
,,,JG8:E:1382,valid,,,,,c1ccc2c(c1)c3c(o2)C(=O)NC=N3,
,,,JG8:C:1382,valid,,,,,c1ccc2c(c1)c3c(o2)C(=O)NC=N3,
,,,JG8:A:1382,valid,,,,,c1ccc2c(c1)c3c(o2)C(=O)NC=N3,
,,,TRS:A:1386,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1385,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:1384,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,CL:C:1387,invalid,,,,,[Cl-],
,,5AQT,,,,,,,
,,,GOL:B:1265,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,5P7:A:1381,valid,,,,,c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO,
,,,DMS:B:1261,invalid,,,,,CS(=O)C,
,,,DMS:A:1383,invalid,,,,,CS(=O)C,
,,,TRS:A:1382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5AQF,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1265,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,ADN:C:1382,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:1382,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,TRS:A:1387,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1386,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3FZM,,,,,,,
,,,3GO:A:401,valid,,,,,c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)COCc6ccc(cc6)C#N)O)O)N,
,,5AQI,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1382,invalid,,,,,CS(=O)C,
,,,DMS:A:1383,invalid,,,,,CS(=O)C,
,,,DMS:C:1382,invalid,,,,,CS(=O)C,
,,,ADE:A:1388,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:1387,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5AQS,,,,,,,
,,,1SQ:A:1382,valid,,,,,c1ccc2c(c1)ccnc2N,
,,,1SQ:C:1382,valid,,,,,c1ccc2c(c1)ccnc2N,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,5AQH,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,ZVO:A:1382,valid,,,,,CN1c2c3c(c[nH]c3ncn2)C(=N1)N,
,,,DMS:A:1388,invalid,,,,,CS(=O)C,
,,5AQK,,,,,,,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:1386,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DMS:A:1387,invalid,,,,,CS(=O)C,
,,,GDP:B:1260,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:1382,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5AQG,,,,,,,
,,,CL:C:1389,invalid,,,,,[Cl-],
,,,CL:A:1385,invalid,,,,,[Cl-],
,,,ZJB:C:1382,valid,,,,,CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N,
,,,ZJB:A:1382,valid,,,,,CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N,
,,,ZJB:E:1381,valid,,,,,CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N,
,,,TRS:C:1388,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1384,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1382,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1262,invalid,,,,,C(C(CO)O)O,
,,5AQR,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1391,invalid,,,,,CS(=O)C,
,,,DMS:C:1388,invalid,,,,,CS(=O)C,
,,,DMS:E:1387,invalid,,,,,CS(=O)C,
,,,DMS:E:1386,invalid,,,,,CS(=O)C,
,,,DMS:A:1396,invalid,,,,,CS(=O)C,
,,,DMS:A:1392,invalid,,,,,CS(=O)C,
,,,DMS:A:1393,invalid,,,,,CS(=O)C,
,,,N8Y:E:1383,valid,,,,,COc1ccc2c(c1)c(ncn2)N,
,,,N8Y:A:1383,valid,,,,,COc1ccc2c(c1)c(ncn2)N,
,,,N8Y:C:1383,valid,,,,,COc1ccc2c(c1)c(ncn2)N,
,,,TRS:A:1382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:1382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1382,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:C:1396,invalid,,,,,[Cl-],
,,3M3Z,,,,,,,
,,,3F5:A:401,valid,Kd,=,12.36,uM,CNc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COCC(=O)N)O)O)N,
,,5AQU,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1382,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:1390,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UX0:A:1388,valid,,,,,COc1cccc2c1c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO,
,,,MG:B:1264,Part of Protein,,,,,[Mg+2],
,,,DMS:A:1389,invalid,,,,,CS(=O)C,
,,5AQJ,,,,,,,
,,,CL:E:1382,invalid,,,,,[Cl-],
,,,CL:A:1382,invalid,,,,,[Cl-],
,,,CL:C:1382,invalid,,,,,[Cl-],
,,,GOL:E:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1386,invalid,,,,,C(C(CO)O)O,
,,,DMS:C:1391,invalid,,,,,CS(=O)C,
,,,DMS:A:1386,invalid,,,,,CS(=O)C,
,,,DMS:E:1388,invalid,,,,,CS(=O)C,
,,,Q88:E:1383,valid,,,,,c1nc(c2c(n1)[nH]c(n2)N)N,
,,,Q88:A:1383,valid,,,,,c1nc(c2c(n1)[nH]c(n2)N)N,
,,,Q88:C:1383,valid,,,,,c1nc(c2c(n1)[nH]c(n2)N)N,
,,,TRS:A:1387,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:1389,invalid,,,,,C(C(CO)(CO)[NH3+])O,
2.7.1.21,,,,,,,,,
,Family. Representative Entry is ,1E2K,,,,,,,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMC:A:500,valid,Ki,=,11.4,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O,
,,,TMC:B:500,valid,Ki,=,11.4,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O,
,,2KI5,,,,,,,
,,,AC2:A:1,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,AC2:B:2,valid,,,,,c1nc2c(n1COCCO)N=C(NC2=O)N,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KI7,,,,,,,
,,,ID2:A:1,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O,
,,,ID2:B:2,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KIM,,,,,,,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:1,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:2,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,1E2N,,,,,,,
,,,RCA:A:500,valid,Ki,=,30.9,uM,CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C,
,,,RCA:B:500,valid,Ki,=,30.9,uM,CC1=C(NC(=O)NC1=O)C[C@@]2([C@@H](NC(=O)NC2=O)CO)C,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QHI,,,,,,,
,,,BPG:A:1,valid,,,,,c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2,
,,,BPG:B:2,valid,,,,,c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KI2,,,,,,,
,,,GA2:A:1,valid,,,,,c1nc2c(n1COC(CO)CO)N=C(NC2=O)N,
,,,GA2:B:2,valid,,,,,c1nc2c(n1COC(CO)CO)N=C(NC2=O)N,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E2P,,,,,,,
,,,CCV:A:500,valid,Ki,=,27,uM,CC1=C(NC(=O)NC1=O)CC(CO)CO,
,,,CCV:B:500,valid,Ki,=,27,uM,CC1=C(NC(=O)NC1=O)CC(CO)CO,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E2I,,,,,,,
,,,APS:A:500,valid,,,,,C[C@@H](Cn1cnc2c1ncnc2N)O,
,,,APS:B:510,valid,,,,,C[C@@H](Cn1cnc2c1ncnc2N)O,
,,,ARP:A:502,valid,,,,,C[C@H](Cn1cnc2c1ncnc2N)O,
,,,ARP:B:511,valid,,,,,C[C@H](Cn1cnc2c1ncnc2N)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KI4,,,,,,,
,,,BTD:A:1,valid,,,,,c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br,
,,,BTD:B:2,valid,,,,,c1cc(sc1C2=CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1P7C,,,,,,,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T5A:A:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,THM:B:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,1E2M,,,,,,,
,,,HPT:A:500,valid,,,,,CC1=C(NC(=O)NC1=O)CCCO,
,,,HPT:B:500,valid,,,,,CC1=C(NC(=O)NC1=O)CCCO,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OF1,,,,,,,
,,,SCT:A:400,valid,ic50,=,15,uM,CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO,
,,,SCT:B:500,valid,ic50,=,15,uM,CC1=CN(C(=O)NC1=O)[C@]23C[C@H]2[C@@H]([C@H](C3)O)CO,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E2L,,,,,,,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TMC:A:500,valid,Ki,=,51.5,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O,
,,,TMC:B:500,valid,Ki,=,51.5,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@]3([C@@H]2C3)CO)O,
,,1KI3,,,,,,,
,,,PE2:A:1,valid,,,,,c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N,
,,,PE2:B:2,valid,,,,,c1nc2c(n1CCC(CO)CO)N=C(NC2=O)N,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KI8,,,,,,,
,,,BVD:A:1,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)CO)O,
,,,BVD:B:2,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)CO)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E2J,,,,,,,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,3F0T,,,,,,,
,,,NCV:A:500,valid,,,,,CC1=C(N(C(=O)NC1=O)C)CC(CO)CO,
,,,NCV:B:500,valid,,,,,CC1=C(N(C(=O)NC1=O)C)CC(CO)CO,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1W4R,,,,,,,
,,,DTU:E:1193,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,TTP:A:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:E:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:F:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:G:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:H:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:C:400,Part of Protein,,,,,[Zn+2],
,,,ZN:D:400,Part of Protein,,,,,[Zn+2],
,,,ZN:E:400,Part of Protein,,,,,[Zn+2],
,,,ZN:F:400,Part of Protein,,,,,[Zn+2],
,,,ZN:G:400,Part of Protein,,,,,[Zn+2],
,,,ZN:H:400,Part of Protein,,,,,[Zn+2],
,,1XBT,,,,,,,
,,,MG:A:1194,Part of Protein,,,,,[Mg+2],
,,,MG:B:2194,Part of Protein,,,,,[Mg+2],
,,,MG:C:3194,Part of Protein,,,,,[Mg+2],
,,,MG:D:4194,Part of Protein,,,,,[Mg+2],
,,,MG:E:5194,Part of Protein,,,,,[Mg+2],
,,,MG:F:6194,Part of Protein,,,,,[Mg+2],
,,,MG:G:7194,Part of Protein,,,,,[Mg+2],
,,,MG:H:8194,Part of Protein,,,,,[Mg+2],
,,,TTP:A:1195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:2195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:3195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:4195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:E:5195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:F:6195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:G:7195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:H:8195,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:1193,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2193,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3193,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4193,Part of Protein,,,,,[Zn+2],
,,,ZN:E:5193,Part of Protein,,,,,[Zn+2],
,,,ZN:F:6193,Part of Protein,,,,,[Zn+2],
,,,ZN:G:7193,Part of Protein,,,,,[Zn+2],
,,,ZN:H:8193,Part of Protein,,,,,[Zn+2],
,,2WVJ,,,,,,,
,,,MG:D:1193,Part of Protein,,,,,[Mg+2],
,,,MG:G:1193,Part of Protein,,,,,[Mg+2],
,,,MG:H:1193,Part of Protein,,,,,[Mg+2],
,,,TTP:A:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:1193,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:E:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:F:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:G:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:H:1192,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:1193,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1194,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1193,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1194,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1193,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1193,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1194,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1194,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4UXH,,,,,,,
,,,ZN:A:1181,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1183,Part of Protein,,,,,[Zn+2],
,,,T5A:A:1180,valid,ic50,=,1.1,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,T5A:B:1182,valid,ic50,=,1.1,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,Family. Representative Entry is ,2ORV,,,,,,,
,,,4TA:A:801,valid,Kd,=,29,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,4TA:B:802,valid,Kd,=,29,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,ZN:A:235,Part of Protein,,,,,[Zn+2],
,,,ZN:B:235,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1P72,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,1P6X,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THM:A:701,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:702,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,Family. Representative Entry is ,2B8T,,,,,,,
,,,THM:A:4970,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:5970,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:6970,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:7970,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,TRS:D:5006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1218,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2218,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3218,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4218,Part of Protein,,,,,[Zn+2],
,,2UZ3,,,,,,,
,,,MG:B:2219,Part of Protein,,,,,[Mg+2],
,,,MG:D:4219,Part of Protein,,,,,[Mg+2],
,,,TTP:A:1220,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:2220,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:3220,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:4220,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:1218,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2218,Part of Protein,,,,,[Zn+2],
,,,ZN:C:3218,Part of Protein,,,,,[Zn+2],
,,,ZN:D:4218,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1XX6,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5FUW,,,,,,,
,,,ZN:B:1387,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1389,Part of Protein,,,,,[Zn+2],
,,,QBT:A:1386,valid,,,,,C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,THM:B:1386,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,PO4:A:1387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1388,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1385,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FUV,,,,,,,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:1386,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1389,Part of Protein,,,,,[Zn+2],
,,,THM:B:1385,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:A:1388,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,PO4:A:1387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FUX,,,,,,,
,,,PO4:B:1386,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:1385,Part of Protein,,,,,[Mg+2],
,,,QBT:A:1388,valid,,,,,C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,QBT:B:1387,valid,,,,,C[C@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ZN:A:1386,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1385,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2QQ0,,,,,,,
,,,ADP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:450,Part of Protein,,,,,[Mg+2],
,,,MG:B:452,Part of Protein,,,,,[Mg+2],
,,,THM:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,TMP:B:601,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2ORW,,,,,,,
,,,4TA:B:801,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,4TA:B:802,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2QQE,,,,,,,
,,,THM:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KI6,,,,,,,
,,,AHU:A:1,valid,,,,,C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I,
,,,AHU:B:2,valid,,,,,C1[C@@H](CO[C@@H]([C@H]1O)CO)N2C=C(C(=O)NC2=O)I,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
3.1.1.13,,,,,,,,,
,Family. Representative Entry is ,4BE9,,,,,,,
,,,PEG:B:1552,invalid,,,,,C(COCCO)O,
,,,PEG:A:1555,invalid,,,,,C(COCCO)O,
,,,PEG:A:1559,invalid,,,,,C(COCCO)O,
,,,PEG:B:1554,invalid,,,,,C(COCCO)O,
,,,PEG:B:1555,invalid,,,,,C(COCCO)O,
,,,PEG:B:1553,invalid,,,,,C(COCCO)O,
,,,7P9:A:1552,valid,,,,,CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O,
,,,7P9:B:1551,valid,,,,,CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O,
,,,PGE:A:1558,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1556,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1554,invalid,,,,,C(COCCOCCO)O,
,,,NO3:A:1557,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1559,invalid,,,,,[N+](=O)([O-])[O-],
,,,1PE:A:1553,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:B:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1557,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1556,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1551,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1550,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1550,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4UPD,,,,,,,
,,,NAG:A:1552,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1553,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1551,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7P9:B:1550,valid,,,,,CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O,
,,,7P9:A:1550,valid,,,,,CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC)COP(=O)(O)O,
,,,PGE:A:1551,invalid,,,,,C(COCCOCCO)O,
2.7.3.3,,,,,,,,,
,Family. Representative Entry is ,4BG4,,,,,,,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,BME:A:409,invalid,,,,,C(CS)O,
,,,BME:B:406,invalid,,,,,C(CS)O,
,,,NO3:B:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,MG:B:407,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3JU6,,,,,,,
,,,ANP:A:6001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ARG:A:5001,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,4RF7,,,,,,,
,,,ARG:A:805,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:807,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1006,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1005,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:806,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1007,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1003,invalid,,,,,CC(=O)[O-],
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1004,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1001,invalid,,,,,CC(=O)[O-],
,,4RF8,,,,,,,
,,,NO3:B:809,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1008,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1004,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1009,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1007,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1005,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:812,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:804,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:810,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1006,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:811,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:805,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1010,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1003,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1002,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:803,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:808,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:801,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:807,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:806,invalid,,,,,[N+](=O)([O-])[O-],
,,,EPE:B:814,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:813,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ADP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4RF9,,,,,,,
,,,AGS:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,ACT:B:804,invalid,,,,,CC(=O)[O-],
,,,ARG:B:802,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:801,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,4BHL,,,,,,,
,,,ARG:A:400,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,BME:A:401,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,1M15,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MG:A:408,invalid,,,,,[Mg+2],
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:500,invalid,,,,,[N+](=O)([O-])[O-],
,,1BG0,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DAR:A:403,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:500,invalid,,,,,[N+](=O)([O-])[O-],
,,5J99,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ARG:A:402,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:404,invalid,,,,,[Mg+2],
,,1P52,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DAR:A:403,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:500,invalid,,,,,[N+](=O)([O-])[O-],
,,1RL9,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IOM:A:902,valid,,,,,CN(CC(=O)O)C(N)N,
,,,MG:A:901,invalid,,,,,[Mg+2],
,,4GW2,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,ORN:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,1SD0,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,4GW0,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ILO:A:403,valid,,,,,CC(=N)NCCC[C@@H](C(=O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,5J9A,,,,,,,
,,,ADP:A:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,,ARG:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,4GVY,,,,,,,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIR:A:403,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,MG:A:401,invalid,,,,,[Mg+2],
3.1.1.4,,,,,,,,,
,Family. Representative Entry is ,1U4J,,,,,,,
,,,ACY:A:1005,invalid,,,,,CC(=O)O,
,,,ACY:A:1006,invalid,,,,,CC(=O)O,
,,,ACY:B:1007,invalid,,,,,CC(=O)O,
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,MAN:B:1008,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:1009,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,NA:B:1001,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4YV5,,,,,,,
,,,SVR:B:207,valid,Kd,=,0.6,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:A:205,valid,Kd,=,0.6,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:A:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:204,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PE4:B:203,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,5VFM,,,,,,,
,,,ME2:A:201,invalid,,,,,CCOCCOCCOC,
,,,ME2:B:201,invalid,,,,,CCOCCOCCOC,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,HC4:A:207,valid,Kd,=,150,uM,c1cc(ccc1C=CC(=O)O)O,
,,1QLL,,,,,,,
,,,TDA:A:122,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,TDA:B:122,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,6MQD,,,,,,,
,,,ROA:A:201,valid,,,,,c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O,
,,4YU7,,,,,,,
,,,DHC:A:203,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:A:204,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:B:203,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,DHC:B:204,valid,,,,,c1cc(c(cc1C=CC(=O)O)O)O,
,,,PE4:B:202,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:201,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:201,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3MLM,,,,,,,
,,,MYR:A:124,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:125,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,SO4:A:122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CXI,,,,,,,
,,,PE4:B:310,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VIT:A:306,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C,
,,,VIT:B:311,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C,
,,1XXS,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STE:A:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:A:202,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:A:205,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:203,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:204,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:206,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,6PWH,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,VRD:B:201,valid,,,,,CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N,
,,,VRD:A:201,valid,,,,,CCc1c(c2c(n1Cc3ccccc3)cccc2OCC(=O)O)C(=O)C(=O)N,
,,3CYL,,,,,,,
,,,PE4:B:311,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PHE CYS LYS LYS ALA ASP ASP CYS:A:125,invalid,,,,,,
,,,PHE CYS LYS LYS ALA ASP ASP CYS:B:125,invalid,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VIT:A:306,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C,
,,,VIT:B:310,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C,
,,6MQF,,,,,,,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,AIN:B:203,valid,,,,,CC(=O)Oc1ccccc1C(=O)O,
,,,AIN:A:202,valid,,,,,CC(=O)Oc1ccccc1C(=O)O,
,,6B81,,,,,,,
,,,PRO PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,PRO PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,OCA:A:204,valid,,,,,CCCCCCCC(=O)O,
,,,OCA:B:204,valid,,,,,CCCCCCCC(=O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6DIK,,,,,,,
,,,GKP:A:201,valid,,,,,c1c(cc(c(c1)O)O)/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O)C(=O)O,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EOH:B:204,invalid,,,,,CCO,
,,,BCT:B:203,invalid,,,,,C(=O)(O)[O-],
,,6B80,,,,,,,
,,,PRO PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,PRO PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PE4:B:202,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,MYR:A:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,5VFJ,,,,,,,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:B:125,invalid,,,,,,
,,,PHE CYS LYS LYS ALA ASP PRO CYS:A:125,invalid,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DHC:A:203,valid,Kd,=,20,uM,c1cc(c(cc1C=CC(=O)O)O)O,
,,6B83,,,,,,,
,,,6NA:B:201,valid,,,,,CCCCCC(=O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YZ7,,,,,,,
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9AR:B:202,valid,,,,,COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O,
,,,PE4:B:201,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,3QNL,,,,,,,
,,,IPA:A:201,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:B:201,invalid,,,,,CC(C)O,
,,,IPA:B:202,invalid,,,,,CC(C)O,
,,,IPA:B:203,invalid,,,,,CC(C)O,
,,,IPA:B:204,invalid,,,,,CC(C)O,
,,,P33:B:205,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,ROA:A:205,valid,,,,,c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O,
,,1Y4L,,,,,,,
,,,IPA:A:503,invalid,,,,,CC(C)O,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,IPA:B:501,invalid,,,,,CC(C)O,
,,,IPA:B:502,invalid,,,,,CC(C)O,
,,,IPA:B:505,invalid,,,,,CC(C)O,
,,,P33:A:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,SVR:B:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,2B96,,,,,,,
,,,ANN:A:501,valid,,,,,COc1ccc(cc1)C(=O)O,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,CA:A:126,Part of Protein,,,,,[Ca+2],
,,,CL:A:127,invalid,,,,,[Cl-],
,,,TRS:A:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1FDK,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,GLE:A:150,valid,,,,,CCCCCCCCCCOCC(COCC(F)(F)F)O[P@@](=O)(O)OC,
,,1MKV,,,,,,,
,,,CA:A:124,Part of Protein,,,,,[Ca+2],
,,,GEL:A:150,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,Family. Representative Entry is ,5OWC,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,PEG:A:207,invalid,,,,,C(COCCO)O,
,,,PEG:B:206,invalid,,,,,C(COCCO)O,
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:208,invalid,,,,,C(COCCO)O,
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,AYZ:B:202,valid,ic50,=,0.026,uM,c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O,
,,,AYZ:A:202,valid,ic50,=,0.026,uM,c1cc(cc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F)CCC(=O)O,
,,5OW8,,,,,,,
,,,AYN:A:206,valid,ic50,=,6.9,uM,c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N,
,,,AYN:B:206,valid,ic50,=,6.9,uM,c1ccc2c(c1)cc(n2c3cccc(c3)C(F)(F)F)C(=O)N,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:B:205,invalid,,,,,CS(=O)C,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,PEG:A:207,invalid,,,,,C(COCCO)O,
,,,PEG:A:208,invalid,,,,,C(COCCO)O,
,,,PEG:B:207,invalid,,,,,C(COCCO)O,
,,,PEG:A:209,invalid,,,,,C(COCCO)O,
,,,PEG:A:210,invalid,,,,,C(COCCO)O,
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:B:209,invalid,,,,,[Cl-],
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:A:211,invalid,,,,,[Cl-],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,4UY1,,,,,,,
,,,PEG:A:1133,invalid,,,,,C(COCCO)O,
,,,PEG:B:1130,invalid,,,,,C(COCCO)O,
,,,PEG:A:1132,invalid,,,,,C(COCCO)O,
,,,PEG:A:1131,invalid,,,,,C(COCCO)O,
,,,PEG:B:1131,invalid,,,,,C(COCCO)O,
,,,PEG:B:1132,invalid,,,,,C(COCCO)O,
,,,TJM:B:1129,valid,ic50,=,20,uM,Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N,
,,,TJM:A:1130,valid,ic50,=,20,uM,Cc1cc(c(s1)C)c2cc(n[nH]2)C(=O)N,
,,,DMS:A:1128,invalid,,,,,CS(=O)C,
,,,DMS:B:1127,invalid,,,,,CS(=O)C,
,,,DMS:A:1129,invalid,,,,,CS(=O)C,
,,,DMS:B:1126,invalid,,,,,CS(=O)C,
,,,DMS:A:1126,invalid,,,,,CS(=O)C,
,,,DMS:B:1128,invalid,,,,,CS(=O)C,
,,,DMS:A:1127,invalid,,,,,CS(=O)C,
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,1PE:A:1125,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1125,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1124,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5G3M,,,,,,,
,,,PEG:A:1129,invalid,,,,,C(COCCO)O,
,,,PEG:B:1131,invalid,,,,,C(COCCO)O,
,,,PEG:B:1130,invalid,,,,,C(COCCO)O,
,,,PEG:A:1133,invalid,,,,,C(COCCO)O,
,,,PEG:A:1131,invalid,,,,,C(COCCO)O,
,,,PEG:A:1130,invalid,,,,,C(COCCO)O,
,,,PEG:B:1129,invalid,,,,,C(COCCO)O,
,,,PEG:A:1132,invalid,,,,,C(COCCO)O,
,,,PEG:A:1128,invalid,,,,,C(COCCO)O,
,,,PEG:B:1132,invalid,,,,,C(COCCO)O,
,,,PEG:A:1127,invalid,,,,,C(COCCO)O,
,,,9JH:B:1133,valid,ic50,=,2.2,uM,c1ccc(cc1)Cc2ccc(cc2)C(=O)N,
,,,9JH:A:1134,valid,ic50,=,2.2,uM,c1ccc(cc1)Cc2ccc(cc2)C(=O)N,
,,,DMS:A:1141,invalid,,,,,CS(=O)C,
,,,DMS:A:1126,invalid,,,,,CS(=O)C,
,,,DMS:B:1124,invalid,,,,,CS(=O)C,
,,,DMS:B:1125,invalid,,,,,CS(=O)C,
,,,DMS:B:1126,invalid,,,,,CS(=O)C,
,,,DMS:A:1140,invalid,,,,,CS(=O)C,
,,,DMS:A:1125,invalid,,,,,CS(=O)C,
,,,DMS:A:1124,invalid,,,,,CS(=O)C,
,,,DMS:B:1127,invalid,,,,,CS(=O)C,
,,,DMS:B:1128,invalid,,,,,CS(=O)C,
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3QLM,,,,,,,
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,CA:A:126,Part of Protein,,,,,[Ca+2],
,,,PLM:A:127,valid,Ki,=,0.0000158,M,CCCCCCCCCCCCCCCC(=O)O,
,,2AZY,,,,,,,
,,,CA:A:231,Part of Protein,,,,,[Ca+2],
,,,CHD:A:237,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,1HN4,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CA:B:291,Part of Protein,,,,,[Ca+2],
,,,MJI:A:397,valid,Kd,=,0.15,mM,CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC,
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2B01,,,,,,,
,,,CA:A:130,Part of Protein,,,,,[Ca+2],
,,,CA:A:131,Part of Protein,,,,,[Ca+2],
,,,CA:A:132,Part of Protein,,,,,[Ca+2],
,,,CL:A:133,invalid,,,,,[Cl-],
,,,CL:A:134,invalid,,,,,[Cl-],
,,,CL:A:135,invalid,,,,,[Cl-],
,,,CL:A:136,invalid,,,,,[Cl-],
,,,TUD:A:137,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,1Y6O,,,,,,,
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,CA:B:208,Part of Protein,,,,,[Ca+2],
,,,MJI:A:217,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC,
,,,MJI:B:218,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC,
,,,PO4:A:209,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:211,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:212,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:213,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:215,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:210,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:216,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2AZZ,,,,,,,
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,CA:A:126,Part of Protein,,,,,[Ca+2],
,,,CA:A:127,Part of Protein,,,,,[Ca+2],
,,,CL:A:128,invalid,,,,,[Cl-],
,,,CL:A:129,invalid,,,,,[Cl-],
,,,CL:A:130,invalid,,,,,[Cl-],
,,,TCH:A:131,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,2B04,,,,,,,
,,,CA:A:130,Part of Protein,,,,,[Ca+2],
,,,CA:A:131,Part of Protein,,,,,[Ca+2],
,,,CA:A:132,Part of Protein,,,,,[Ca+2],
,,,CHO:A:200,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CL:A:135,invalid,,,,,[Cl-],
,,2B00,,,,,,,
,,,CA:A:252,Part of Protein,,,,,[Ca+2],
,,,CA:A:253,Part of Protein,,,,,[Ca+2],
,,,GCH:A:254,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,5P2P,,,,,,,
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,CA:B:125,Part of Protein,,,,,[Ca+2],
,,,CA:B:126,Part of Protein,,,,,[Ca+2],
,,,DHG:A:126,valid,,,,,CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO,
,,,DHG:B:127,valid,,,,,CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO,
,,3O4M,,,,,,,
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,CA:A:126,Part of Protein,,,,,[Ca+2],
,,,CAQ:A:127,valid,,,,,c1ccc(c(c1)O)O,
,,2B03,,,,,,,
,,,CA:A:125,Part of Protein,,,,,[Ca+2],
,,,TUD:A:126,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,1L8S,,,,,,,
,,,ACT:A:321,invalid,,,,,CC(=O)[O-],
,,,CA:A:313,Part of Protein,,,,,[Ca+2],
,,,CA:B:314,Part of Protein,,,,,[Ca+2],
,,,LPE:B:322,valid,,,,,CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,NA:A:315,Part of Protein,,,,,[Na+],
,,,PO4:A:316,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:318,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:320,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:317,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:319,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FXF,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CA:B:291,Part of Protein,,,,,[Ca+2],
,,,MJI:A:297,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC,
,,,PO4:A:292,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:295,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:293,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:294,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:296,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FX9,,,,,,,
,,,CA:A:186,Part of Protein,,,,,[Ca+2],
,,,CA:B:187,Part of Protein,,,,,[Ca+2],
,,,MJI:A:193,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COCC(F)(F)F)O[P@](=O)(O)OC,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5G3N,,,,,,,
,,,X28:B:1126,valid,ic50,=,0.012,uM,c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N,
,,,X28:A:1129,valid,ic50,=,0.012,uM,c1ccc(cc1)Cc2ccc(c(c2)c3cccc(c3)CCC(=O)O)C(=O)N,
,,,CA:B:198,Part of Protein,,,,,[Ca+2],
,,,CA:B:199,Part of Protein,,,,,[Ca+2],
,,,CA:A:199,Part of Protein,,,,,[Ca+2],
,,,CA:A:198,Part of Protein,,,,,[Ca+2],
,,,FMT:A:1128,invalid,,,,,C(=O)O,
,,,FMT:B:1125,invalid,,,,,C(=O)O,
,,1POE,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,GEL:A:930,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,,,GEL:B:935,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,,1DB4,,,,,,,
,,,8IN:A:200,valid,,,,,Cc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N,
,,,CA:A:198,Part of Protein,,,,,[Ca+2],
,,,CA:A:199,Part of Protein,,,,,[Ca+2],
,,1KQU,,,,,,,
,,,BR4:A:501,valid,,,,,c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccccc2)CCC(=O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,1KVO,,,,,,,
,,,CA:A:191,Part of Protein,,,,,[Ca+2],
,,,CA:A:192,Part of Protein,,,,,[Ca+2],
,,,CA:B:191,Part of Protein,,,,,[Ca+2],
,,,CA:B:192,Part of Protein,,,,,[Ca+2],
,,,CA:C:191,Part of Protein,,,,,[Ca+2],
,,,CA:C:192,Part of Protein,,,,,[Ca+2],
,,,CA:D:191,Part of Protein,,,,,[Ca+2],
,,,CA:D:192,Part of Protein,,,,,[Ca+2],
,,,CA:E:191,Part of Protein,,,,,[Ca+2],
,,,CA:E:192,Part of Protein,,,,,[Ca+2],
,,,CA:F:191,Part of Protein,,,,,[Ca+2],
,,,CA:F:192,Part of Protein,,,,,[Ca+2],
,,,OAP:A:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,,OAP:B:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,,OAP:C:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,,OAP:D:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,,OAP:E:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,,OAP:F:190,valid,ic50,=,0.013,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)CSc2ccc(cc2)Cc3ccccc3,
,,1J1A,,,,,,,
,,,BHP:A:1301,valid,ic50,=,0.029,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3,
,,,BHP:B:2301,valid,ic50,=,0.029,uM,c1ccc(cc1)CCCCCCC(=O)N[C@@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1Y75,,,,,,,
,,,NAG:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,1OWS,,,,,,,
,,,NAG:A:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1JQ9,,,,,,,
,,,ACY:A:301,invalid,,,,,CC(=O)O,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,ACY:A:304,invalid,,,,,CC(=O)O,
,,,ACY:B:303,invalid,,,,,CC(=O)O,
,,,PHE LEU SER TYR LYS:P:1,valid,Kd,=,3.57,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CO)Cc1ccc(O)cc1)CCCC[NH3+],
,,2QVD,,,,,,,
,,,BER:A:1811,valid,Kd,=,0.000000064,M,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,1ZWP,,,,,,,
,,,MOH:A:601,invalid,,,,,CO,
,,,NIM:A:401,valid,,,,,CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OXL,,,,,,,
,,,CO3:B:301,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:302,invalid,,,,,C(=O)([O-])[O-],
,,,IDA:A:501,valid,,,,,CCCc1cc2cc([nH]c2c(c1)CC(=O)O)CC(=O)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TG4,,,,,,,
,,,PHE LEU ALA TYR LYS:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)C)Cc1ccc(O)cc1)CCCC[NH3+],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SKG,,,,,,,
,,,MOH:A:5678,invalid,,,,,CO,
,,,MOH:A:5679,invalid,,,,,CO,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAL ALA PHE ARG SER:B:4001,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCNC(=[NH2+])N)Cc1ccccc1)C)C([NH3+])C(C)C,
,,2ARM,,,,,,,
,,,OIN:A:401,valid,Kd,=,0.000000064,M,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FV0,,,,,,,
,,,9AR:A:401,valid,Ki,=,1.18,uM,COc1c(ccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,DIO:B:701,invalid,,,,,C1COCCO1,
,,,DIO:B:702,invalid,,,,,C1COCCO1,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Q7A,,,,,,,
,,,MOH:A:125,invalid,,,,,CO,
,,,OPB:A:124,valid,Kd,=,0.000000064,M,CCCC[C@H]1C(=O)N(N(C1=O)c2ccc(cc2)O)c3ccccc3,
,,,SO4:A:122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TG1,,,,,,,
,,,ACY:A:304,invalid,,,,,CC(=O)O,
,,,MOH:A:305,invalid,,,,,CO,
,,,MOH:A:306,invalid,,,,,CO,
,,,PHQ LEU VAL ARG TYR:C:2,valid,,,,,O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)C(C)C)CC(C)C,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZYX,,,,,,,
,,,LCF:A:2001,valid,,,,,CC1(Cc2c(c(c(n2C1)CC(=O)O)c3ccc(cc3)Cl)c4ccccc4)C,
,,,SO4:A:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TJK,,,,,,,
,,,PHE LEU SER THR LYS:I:1,valid,,,,,O=C(NC(C=O)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CO)C(O)C,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KPM,,,,,,,
,,,ACY:A:504,invalid,,,,,CC(=O)O,
,,,ACY:B:501,invalid,,,,,CC(=O)O,
,,,ACY:B:502,invalid,,,,,CC(=O)O,
,,,ACY:B:503,invalid,,,,,CC(=O)O,
,,,VIT:A:401,valid,Ki,=,1.59,uM,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C,
,,1TP2,,,,,,,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDA:A:201,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,TDA:B:202,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,1TDV,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR TRP ALA ALA ALA ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C)Cc1c2c([nH]c1)cccc2)C([NH3+])Cc1ccc(O)cc1,
,,1TJ9,,,,,,,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAL ALA ARG SER:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)C)CCCNC(=[NH2+])N)CO,
,,1JQ8,,,,,,,
,,,ACY:A:301,invalid,,,,,CC(=O)O,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,,ACY:B:303,invalid,,,,,CC(=O)O,
,,,LEU ALA ILE TYR SER:P:1,valid,Ki,=,1.01,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)C)C(CC)C)Cc1ccc(O)cc1)CO,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SQZ,,,,,,,
,,,PHQ ILE ALA ARG SER:B:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(C(CC)C)N1C(OCc2ccccc2)O1)C)CCCNC(=[NH2+])N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TGM,,,,,,,
,,,AIN:A:202,valid,,,,,CC(=O)Oc1ccccc1C(=O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZR8,,,,,,,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,,AJM:A:201,valid,,,,,C[N@]1c2ccccc2[C@@]34[C@@H]1[C@@H]5C[C@H]6C[C@@H]([N@@]5[C@@H](C3)[C@H]6[C@H]4O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TH6,,,,,,,
,,,OIN:A:401,valid,,,,,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Y38,,,,,,,
,,,G3P:A:201,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:202,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,PGE:B:501,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H1X,,,,,,,
,,,IMN:A:301,valid,Kd,=,0.000000064,M,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SXK,,,,,,,
,,,BHA:A:251,valid,,,,,c1cc(c(cc1N)O)C(=O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TK4,,,,,,,
,,,ALA ILE ARG SER:B:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CO)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)C(CC)C,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SV3,,,,,,,
,,,ANN:A:347,valid,,,,,COc1ccc(cc1)C(=O)O,
,,,SO4:A:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:346,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1POC,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GEL:A:420,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,Family. Representative Entry is ,1OYF,,,,,,,
,,,ACY:A:3001,invalid,,,,,CC(=O)O,
,,,MHN:A:1001,valid,,,,,CC(C)CCCCCO,
,,,MHN:B:1002,valid,,,,,CC(C)CCCCCO,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6IEJ,,,,,,,
,,,HXG:C:205,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC,
,,,HXG:A:205,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC,
,,,HXG:B:204,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC,
,,,CA:C:203,invalid,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,invalid,,,,,[Ca+2],
,,,CA:A:203,invalid,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:C:204,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2WG9,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,NA:B:1126,Part of Protein,,,,,[Na+],
,,,OCA:A:301,valid,,,,,CCCCCCCC(=O)O,
,,,OCA:B:301,valid,,,,,CCCCCCCC(=O)O,
,Family. Representative Entry is ,5WZU,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,7W3:A:202,valid,ic50,=,0.1,uM,Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,5WZW,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CA:A:208,Part of Protein,,,,,[Ca+2],
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,U8D:A:209,valid,ic50,=,1.23,uM,CCc1c(c2cc(ccc2n1Cc3ccccc3)OCCCP(=O)(O)O)CC(=O)N,
,,5WZT,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,7W6:A:204,valid,ic50,=,0.22,uM,Cc1c(c2c(n1Cc3cccc(c3)Br)cccc2OCC(=O)O)C(=O)C(=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,5WZS,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,7W9:A:201,valid,ic50,=,0.28,uM,Cc1c(c2c(n1Cc3cccc4c3cccc4)cccc2OCC(=O)O)C(=O)C(=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,5Y5E,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CA:A:208,Part of Protein,,,,,[Ca+2],
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,NA:A:210,Part of Protein,,,,,[Na+],
,,,B3P:A:209,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,7W3:A:202,valid,,,,,Cc1c(c2c(n1Cc3ccccc3C(F)(F)F)cccc2OCC(=O)O)C(=O)C(=O)N,
,,5WZV,,,,,,,
,,,7W0:A:202,valid,ic50,=,0.21,uM,Cc1c(c2c(n1Cc3ccccc3c4ccccc4)cccc2OCC(=O)O)C(=O)C(=O)N,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6G5J,,,,,,,
,,,EM8:A:202,valid,ic50,=,0.2,uM,C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F,
,,,EM8:A:203,valid,ic50,=,0.2,uM,C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F,
,,,EM8:B:202,valid,ic50,=,0.2,uM,C[C@H](CC(=O)O)c1cccc(c1)n2c3cc(ccc3cc2C(=O)N)OC(F)(F)F,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2QHD,,,,,,,
,,,DAO:A:501,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:502,valid,,,,,CCCCCCCCCCCC(=O)O,
,,3BJW,,,,,,,
,,,SVR:A:508,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:B:501,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:B:512,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:C:505,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:C:507,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:E:503,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:E:510,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:F:502,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:F:509,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:G:506,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:H:504,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:H:511,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,1S8G,,,,,,,
,,,DAO:A:135,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,GOL:A:136,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:134,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1MF4,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,VAL ALA PHE ARG SER:B:1,valid,Ki,=,10.2,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCNC(=[NH2+])N)Cc1ccccc1)C)C([NH3+])C(C)C,
,,1POB,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,GEL:A:930,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,,,GEL:B:935,valid,,,,,CCCCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CCCCCCC)O,
,,1TD7,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,NFL:A:2001,valid,Kd,=,43,uM,c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F,
,,1OXR,,,,,,,
,,,AIN:A:141,valid,Kd,=,0.000000064,M,CC(=O)Oc1ccccc1C(=O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,2WQ5,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,MIY:A:1120,valid,Kd,=,180,uM,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
2.6.1.100,,,,,,,,,
,Family. Representative Entry is ,5W70,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,9YM:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O,
,,,9YM:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O,
3.1.2.6,,,,,,,,,
,Family. Representative Entry is ,1QH5,,,,,,,
,,,GBP:B:464,valid,,,,,c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)Br,
,,,GSH:A:463,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2P1E,,,,,,,
,,,LAC:A:303,valid,,,,,C[C@H](C(=O)O)O,
,,,SPD:A:304,invalid,,,,,C(CCNCCCN)CN,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
2.1.1.67,,,,,,,,,
,Family. Representative Entry is ,2BZG,,,,,,,
,,,B3P:A:1247,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,SAH:A:1246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3BGD,,,,,,,
,,,PM6:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)S,
,,,PM6:A:302,valid,,,,,c1[nH]c2c(n1)c(ncn2)S,
,,,PM6:B:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)S,
,,,PM6:B:302,valid,,,,,c1[nH]c2c(n1)c(ncn2)S,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3BGI,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.2.1.75,,,,,,,,,
,Family. Representative Entry is ,4DPL,,,,,,,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,UNL:B:402,invalid,,,,,NULL,
,,,UNL:A:402,invalid,,,,,NULL,
,,,UNL:D:402,invalid,,,,,NULL,
,,,UNL:C:402,invalid,,,,,NULL,
3.4.21.73,,,,,,,,,
,Family. Representative Entry is ,6A8N,,,,,,,
,,,CYS PRO ALA TYR SER ARG TYR ILE GLY CYS:C:1,valid,Ki,=,6.8,nM,O=CC1NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC(=O)C2N(C(=O)C([NH3+])CSSC1)CCC2,
,,,CYS PRO ALA TYR SER ARG TYR ILE GLY CYS:P:1,valid,Ki,=,6.8,nM,O=CC1NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC(=O)C2N(C(=O)C([NH3+])CSSC1)CCC2,
,Family. Representative Entry is ,1GJC,,,,,,,
,,,130:B:251,valid,Ki,=,0.45,uM,[H]/N=C(c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1GI9,,,,,,,
,,,123:B:246,valid,Ki,=,1.1,uM,COc1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1O5A,,,,,,,
,,,696:B:251,valid,Ki,=,0.38,uM,c1ccc(cc1)c2cccc(c2[O-])c3cc4cc(ccc4[nH]3)C(=[NH2+])N,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1GJA,,,,,,,
,,,135:B:251,valid,Ki,=,3.8,uM,[H]/N=C(c1ccc(cc1)NC(=O)c2ccccc2O)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1C5X,,,,,,,
,,,ESI:B:251,valid,Ki,=,0.21,uM,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,,FLC:B:3,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:2,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,1GJB,,,,,,,
,,,130:B:251,valid,Ki,=,0.45,uM,[H]/N=C(c1ccc2c(c1)nc([nH]2)c3cccc(c3O)c4ccccc4)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1C5Z,,,,,,,
,,,BAM:B:251,valid,Ki,=,97,uM,c1ccc(cc1)C(=[NH2+])N,
,,,FLC:B:1,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:2,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:3,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,3IG6,,,,,,,
,,,438:B:400,valid,ic50,=,0.025,uM,CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O,
,,,438:D:401,valid,ic50,=,0.025,uM,CN(C)c1ccc(c(c1)Oc2c(c(c(c(n2)Oc3cccc(c3)c4cccc(c4)CN)F)N5CC[C@H](C5)N(C)C)F)C(=O)O,
,,,PO4:D:450,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1O3P,,,,,,,
,,,655:B:251,valid,Ki,=,0.22,uM,c1cc(c(c(c1)OC2CCCC2)[O-])c3[nH]c4ccc(cc4n3)C(=[NH2+])N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1GJ7,,,,,,,
,,,132:B:251,valid,Ki,=,0.009,uM,c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1C5W,,,,,,,
,,,ESI:B:251,valid,,,,,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,,FLC:B:3,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:2,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,1GJD,,,,,,,
,,,136:B:251,valid,Ki,=,6,uM,[H]/N=C(c1ccc(cc1Cl)NC(=O)c2cc(cc(c2O)I)C)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1O5C,,,,,,,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CR9:B:251,valid,Ki,=,6,uM,C[C@H]1CCCC[C@@H]1Oc2cccc(c2[O-])c3[nH]c4cc(c(cc4n3)C(=[NH2+])N)F,
,,1C5Y,,,,,,,
,,,ESP:B:251,valid,Ki,=,63,uM,c1cc2cc(sc2nc1)C(=[NH2+])N,
,,,FLC:B:1,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:2,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:3,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,1GJ9,,,,,,,
,,,134:B:251,valid,Ki,=,0.011,uM,[H]/N=C(c1cc2cc([nH]c2cc1F)c3cccc(c3O)O[C@H]4CCCC[C@@H]4C)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1GJ8,,,,,,,
,,,133:B:251,valid,Ki,=,0.11,uM,[H]/N=C(c1cc2c(cc1F)[nH]c(n2)c3cccc(c3O)OCC(C)C)/N,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1O5B,,,,,,,
,,,CIT:B:1,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:3,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ESI:B:251,valid,Ki,=,1.7,uM,c1cc2c(cc(s2)C(=[NH2+])N)c(c1)I,
,,1GI7,,,,,,,
,,,120:B:246,valid,Ki,=,31,uM,c1cc2c(cc1C(=[NH2+])N)nc([nH]2)C3=CC=CNC3=O,
,,,CIT:B:1,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1SQA,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UI1:A:1001,valid,Ki,=,0.00062,uM,c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)Nc4ccc(cc4)CN,
,,1W0Z,,,,,,,
,,,SI1:U:1245,valid,Ki,=,21,nM,[H]/N=C(c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)CCCC)/N,
,,,SO4:U:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:1247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZHL,,,,,,,
,,,CYS PRO ALA TYR SER ARG TYR ILE GLY CYS:P:1,valid,Kd,=,0.0147,uM,O=CC1NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC(=O)C2N(C(=O)C([NH3+])CSSC1)CCC2,
,,2VIV,,,,,,,
,,,ACT:A:1246,invalid,,,,,CC(=O)[O-],
,,,VG2:A:1247,valid,ic50,=,520,nM,Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3,
,,1SC8,,,,,,,
,,,2IN:U:300,valid,Ki,=,0.036,uM,c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc2ccc(cc2)C(=N)N,
,,,SO4:U:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OWE,,,,,,,
,,,675:A:1001,valid,Ki,=,0.631,uM,[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccccc3)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X1Q,,,,,,,
,,,CYS PRO ALA TYR SER ARG TYR LEU ASP CYS:P:1,valid,,,,,O=C([O-])CC1C(=O)NC(C=O)CSSCC([NH3+])C(=O)N2C(C(=O)NC(C)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CO)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CC(C)C)C(=O)N1)CCC2,
,,2VIP,,,,,,,
,,,ACT:A:1245,invalid,,,,,CC(=O)[O-],
,,,L1R:A:1247,valid,ic50,=,5.2,uM,CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCCN)Cl,
,,,SO4:A:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZAF,,,,,,,
,,,28I:U:301,valid,Ki,=,166,nM,[H]/N=C(N)/NC(=O)c1c(nc(c(n1)c2ccoc2)N3CCCCCC3)N,
,,1SQT,,,,,,,
,,,UI3:A:1001,valid,Ki,=,0.63,uM,[H]/N=C(/c1ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N,
,,1W13,,,,,,,
,,,SM1:U:1245,valid,Ki,=,2,nM,[H]/N=C(/N)Nc1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2,
,,,SO4:U:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:1247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OWH,,,,,,,
,,,239:A:1001,valid,Ki,=,40,nM,[H]/N=C(/c1ccc2cc(ccc2c1)C(=O)Nc3ccc(cc3)CN)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EJN,,,,,,,
,,,AGB:A:800,valid,Ki,=,2.4,uM,[H]/N=C(/N)Nc1ccc(cc1)CNC(=O)NC23CC4CC(C2)CC(C4)C3,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZHM,,,,,,,
,,,MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS:P:100,valid,Kd,=,0.00081,uM,O=CC1NC(=O)CNC(=O)C(C(CC)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CC2CCN(C(=[NH2+])N)CC2)NC(=O)C(CO)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C)NC(=O)C2N(C(=O)C([NH3+])CSSC1)CCC2,
,,2VIN,,,,,,,
,,,505:A:1247,valid,ic50,>,1,mM,Cc1cccc(c1OC[C@@H](C)N)C,
,,,ACT:A:1245,invalid,,,,,CC(=O)[O-],
,,,SO4:A:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZA8,,,,,,,
,,,27I:U:301,valid,Ki,=,508,nM,[H]/N=C(/N)NC(=O)c1c(nc(c(n1)c2cnn(c2)C)N3CCCCCC3)N,
,,5ZA7,,,,,,,
,,,SO4:U:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HMX:U:301,valid,Ki,=,1356,nM,C1CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl,
,,4X0W,,,,,,,
,,,SO4:U:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS:P:100,valid,,,,,O=C([O-])CC1C(=O)NC(C=O)CSSCC([NH3+])C(=O)N2C(C(=O)NC(C)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CO)C(=O)NC(CC3C[NH+](C([NH3+])[NH3+])CCC3)C(O)NC(Cc3ccc(O)cc3)C(=O)NC(CC(C)C)C(=O)N1)CCC2,
,,1U6Q,,,,,,,
,,,745:A:245,valid,,,,,[H]/N=C(/c1ccc2cc(ccc2c1)[C@@H]3C[C@H]3c4ccccc4)N,
,,5ZA9,,,,,,,
,,,50I:U:301,valid,Ki,=,183,nM,[H]/N=C(/N)NC(=O)c1c(nc(c(n1)c2cc3ccccc3o2)N4CCCCCC4)N,
,,2VIQ,,,,,,,
,,,ACT:A:1245,invalid,,,,,CC(=O)[O-],
,,,D55:A:1246,valid,ic50,=,1.3,uM,CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC,
,,4X1P,,,,,,,
,,,SO4:U:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:U:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:U:304,invalid,,,,,C(COCCOCCO)O,
,,,CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ:P:1,valid,,,,,O=C([O-])CC1C(=O)NC(C=O)CSSCC([NH3+])C(=O)N2C(C(=O)NC(C)C(=O)NC(Cc3ccc(O)cc3)C(=O)NC(CO)C(=O)NC(CC3CN(C(=[NH2+])N)CCC3)C(O)NC(Cc3ccc(O)cc3)C(=O)NC(CC(C)C)C(=O)N1)CCC2,
,,6NMB,,,,,,,
,,,NO3:D:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,AMH:B:302,valid,Ki,=,2.01,mM,C1CC(CCC1CN)C(=O)O,
,,,AMH:A:302,valid,Ki,=,2.01,mM,C1CC(CCC1CN)C(=O)O,
,,,AMH:C:302,valid,Ki,=,2.01,mM,C1CC(CCC1CN)C(=O)O,
,,,AMH:D:302,valid,Ki,=,2.01,mM,C1CC(CCC1CN)C(=O)O,
,,5ZAG,,,,,,,
,,,94I:U:301,valid,Ki,=,108,nM,[H]/N=C(N)/NC(=O)c1c(nc(c(n1)c2cncnc2)N3CCCCCC3)N,
,,5ZC5,,,,,,,
,,,09I:U:301,valid,Ki,=,88,nM,[H]/N=C(/N)NC(=O)c1c(nc(c(n1)c2cc3c(o2)cccc3F)N4CCCCCC4)N,
,,1VJ9,,,,,,,
,,,5IN:U:300,valid,Ki,=,0.028,uM,c1ccc(cc1)COC[C@@H](C(=O)NCc2ccc(cc2)C(=N)N)NC(=O)[C@@H](CO)NS(=O)(=O)Cc3ccccc3,
,,,SO4:U:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1F5K,,,,,,,
,,,BAM:U:300,valid,Ki,=,180,uM,c1ccc(cc1)C(=[NH2+])N,
,,,SO4:U:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZAE,,,,,,,
,,,SO4:U:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EAU:U:301,valid,Ki,=,156,nM,[H]/N=C(/N)NC(=O)c1c(nc(c(n1)c2ccco2)N3CCCCCC3)N,
,,1OWD,,,,,,,
,,,497:A:1001,valid,Ki,=,6.3,nM,CC[C@H]1CNCc2c1cc(cc2)NC(=O)c3ccc4cc(ccc4c3)C(=N)N,
,,2VNT,,,,,,,
,,,QGG:A:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,QGG:B:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,QGG:C:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,QGG:D:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,QGG:E:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,QGG:F:1258,valid,Ki,=,9.9,nM,c1cc2c(cc1S(=O)(=O)N3CCC[C@@H]3C(=O)O)c(ncc2Cl)N=C(N)N,
,,,SO4:B:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VIO,,,,,,,
,,,ACT:A:1245,invalid,,,,,CC(=O)[O-],
,,,L1O:A:1246,valid,ic50,=,40,uM,c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O,
,,1F5L,,,,,,,
,,,AMR:A:301,valid,Ki,=,5.3,uM,c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZAJ,,,,,,,
,,,32I:U:301,valid,Ki,=,42,nM,[H]/N=C(/N)NC(=O)c1c(nc(c(n1)c2cnc(nc2OC)OC)N3CCCCCC3)N,
,,2R2W,,,,,,,
,,,4PG:U:300,valid,Ki,=,34,uM,[H]/N=C(/N)Nc1ccc(cc1)CC(=O)c2ccccc2,
,,,SO4:U:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VIW,,,,,,,
,,,ACT:A:1245,invalid,,,,,CC(=O)[O-],
,,,D56:A:1246,valid,ic50,=,72,nM,CCOc1c(cc(cc1Cl)N2CCCCC2)NC(=O)c3cc(c(c(c3)C)OCCN)C,
,,1W11,,,,,,,
,,,SK1:U:1247,valid,Ki,=,6,nM,[H]/N=C(c1ccc(cc1)CNC(=O)[C@H](C)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)/N,
,,,SO4:U:1245,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:1246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VJA,,,,,,,
,,,7IN:U:300,valid,Ki,=,0.02,uM,c1ccc(cc1)CS(=O)(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NCc2ccc(cc2)C(=N)N,
,,,SO4:U:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SQO,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UI2:A:1001,valid,Ki,=,0.035,uM,c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N,
1.3.7.5,,,,,,,,,
,Family. Representative Entry is ,3AJH,,,,,,,
,,,BL3:A:250,valid,,,,,Cc1c(c([nH]c1/C=C2/C(=C(C(=O)N2)C)C=C)/C=C3/C(=C(C(=N3)/C=C4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O,
,,,BL3:B:250,valid,,,,,Cc1c(c([nH]c1/C=C2/C(=C(C(=O)N2)C)C=C)/C=C3/C(=C(C(=N3)/C=C4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O,
1.1.1.42,,,,,,,,,
,Family. Representative Entry is ,4UMX,,,,,,,
,,,GOL:B:1416,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:1415,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,VVS:A:1415,valid,ic50,=,0.011,uM,CC(C)(C)CC(C)(C)c1cc(c(c(c1)Cn2ccnc2)O)Cn3ccnc3,
,,3INM,,,,,,,
,,,AKG:A:511,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:511,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:511,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CA:A:521,Part of Protein,,,,,[Ca+2],
,,,CA:B:521,Part of Protein,,,,,[Ca+2],
,,,CA:C:521,Part of Protein,,,,,[Ca+2],
,,,GOL:A:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:532,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:532,invalid,,,,,C(C(CO)O)O,
,,,NA:A:522,invalid,,,,,[Na+],
,,,NA:B:522,invalid,,,,,[Na+],
,,,NA:C:522,invalid,,,,,[Na+],
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5SUN,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,70Q:A:502,valid,ic50,=,0.59,uM,CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4,
,,,70Q:B:502,valid,ic50,=,0.59,uM,CN(C)S(=O)(=O)c1cccc(c1)NC(=O)C2=NN(C(=O)c3c2cccc3)Cc4ccccc4,
,,6BKX,,,,,,,
,,,ICT:C:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:505,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:501,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,DWP:B:502,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4,
,,,DWP:C:503,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4,
,,,DWP:A:501,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@@H](C1=O)C#N)C)Nc4ccccc4,
,,5YZH,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6VEI,,,,,,,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,MLT:B:505,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,MLA:A:507,invalid,,,,,C(C(=O)O)C(=O)O,
,,,33O:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,9UO:B:502,valid,,,,,C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl,
,,4L06,,,,,,,
,,,CA:E:501,Part of Protein,,,,,[Ca+2],
,,,CA:F:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,AKG:C:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NAP:B:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:502,valid,Kd,=,0.12,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4UMY,,,,,,,
,,,SO4:A:1415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1417,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:1416,invalid,,,,,C(C(CO)O)O,
,,6BL0,,,,,,,
,,,ICT:C:501,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:505,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,MG:C:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,DWJ:A:504,invalid,,,,,C[C@H]1[C@@H]2CCc3cn(nc3[C@]2(C[C@H](C1=O)C#N)c4ccccc4)C(=O)c5ccccc5,
,,5DE1,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,59D:B:502,valid,ic50,=,46,nM,C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5,
,,,59D:A:502,valid,ic50,=,46,nM,C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5,
,,6PAY,,,,,,,
,,,ICT:A:501,valid,Kd,=,0.51,mM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:C:501,valid,Kd,=,0.51,mM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:501,valid,Kd,=,0.51,mM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:D:501,valid,Kd,=,0.51,mM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,NDP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:D:503,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,6BL1,,,,,,,
,,,ICT:C:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:505,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:501,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,DWG:A:501,valid,ic50,=,110,nM,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5,
,,,DWG:C:503,valid,ic50,=,110,nM,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5,
,,,DWG:B:502,invalid,ic50,=,110,nM,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(CC(C1=O)C#N)c4ccccc4)Nc5ccccc5,
,,5TQH,,,,,,,
,,,NDP:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,7J2:A:502,valid,ic50,=,0.02,uM,Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C,
,,,7J2:D:501,valid,ic50,=,0.02,uM,Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C,
,,,7J2:C:501,valid,ic50,=,0.02,uM,Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C,
,,,7J2:B:501,valid,ic50,=,0.02,uM,Cc1cc(ccc1F)c2cnc(nc2)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)C(C)C,
,,,FLC:B:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6BKY,,,,,,,
,,,K32:D:503,valid,ic50,=,270,nM,c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2,
,,,K32:E:501,valid,ic50,=,270,nM,c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2,
,,,K32:A:502,valid,ic50,=,270,nM,c12c(c(c(c(c1Br)Br)Br)Br)NC(=O)N2,
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,LMR:F:501,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:503,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:D:501,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,6B0Z,,,,,,,
,,,FLC:C:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,C81:D:504,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,C81:B:502,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,C81:D:502,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,C81:C:502,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,C81:A:502,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,C81:A:504,valid,ic50,=,0.018,uM,Cc1cc(ncc1c2ccnc(c2)C(F)(F)F)[C@H](C)Nc3nccc(n3)N4[C@H](COC4=O)[C@H](C)F,
,,,NDP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6U4J,,,,,,,
,,,PWV:B:504,valid,ic50,=,0.0212,uM,C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N,
,,,PWV:A:503,valid,ic50,=,0.0212,uM,C[C@@H](C1=Cc2cc(ccc2NC1=O)Cl)NC3=CC=C(N(C3=O)C)C#N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FLC:B:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6IO0,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,NDP:B:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CIT:A:503,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:508,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,AOU:A:501,valid,ic50,=,130,nM,CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C,
,,,AOU:B:506,valid,ic50,=,130,nM,CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)C(=O)c3cn(c4c3cccc4/C=C/C(=O)O)C,
,,6BKZ,,,,,,,
,,,DWM:A:502,valid,ic50,=,120,nM,C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5,
,,,DWM:B:502,valid,ic50,=,120,nM,C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1T0L,,,,,,,
,,,CA:A:1717,Part of Protein,,,,,[Ca+2],
,,,CA:B:1718,Part of Protein,,,,,[Ca+2],
,,,CA:C:1719,Part of Protein,,,,,[Ca+2],
,,,CA:D:1720,Part of Protein,,,,,[Ca+2],
,,,ICT:A:1616,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:1617,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:C:1618,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:D:1619,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,NAP:A:1515,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1516,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1517,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1518,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4L03,,,,,,,
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NAP:A:501,valid,Kd,=,0.013,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:501,valid,Kd,=,0.013,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:501,valid,Kd,=,0.013,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AKG:C:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:504,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,5SVF,,,,,,,
,,,FLC:D:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,70P:C:502,valid,ic50,=,0.22,uM,C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C,
,,,70P:D:502,valid,ic50,=,0.22,uM,C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C,
,,,70P:B:502,valid,ic50,=,0.22,uM,C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C,
,,,70P:A:502,valid,ic50,=,0.22,uM,C[C@@H](c1ccccc1)Nc2nccc(n2)N3[C@H](COC3=O)C(C)C,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4KZO,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,NAP:A:502,valid,Kd,=,0.043,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:502,valid,Kd,=,0.043,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,Kd,=,0.043,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,AKG:C:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,6BL2,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DWS:B:503,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5,
,,,DWS:C:501,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5,
,,,DWS:A:504,invalid,,,,,C[C@H]1[C@@H]2CCc3cnc(nc3[C@]2(C[C@H](C1=O)C#N)c4cccc(c4)C(=O)O)Nc5ccccc5,
,,,ICT:B:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:505,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,6O2Z,,,,,,,
,,,LJV:B:500,valid,ic50,=,0.072,uM,Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N,
,,,LJV:A:500,valid,ic50,=,0.072,uM,Cc1c(ccc(n1)NCC2=Cc3cc(ccc3NC2=O)Cl)C#N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2QFY,,,,,,,
,,,AKG:A:2001,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:2002,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:2003,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:2004,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:2005,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:2006,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,2QFV,,,,,,,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1GRO,,,,,,,
,,,ICT:A:418,valid,Ki,=,0.033,uM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,,1PB1,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,ICT:A:601,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ICD,,,,,,,
,,,ICT:A:418,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,,1P8F,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,ICT:A:601,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:420,Part of Protein,,,,,[Mg+2],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AJB,,,,,,,
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,1CW4,,,,,,,
,,,AKG:A:417,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MN:A:418,Part of Protein,,,,,[Mn+2],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AJC,,,,,,,
,,,A2P:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AJS,,,,,,,
,,,A2P:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,NMN:A:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BL5,,,,,,,
,,,AKG:A:1,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MG:A:418,Part of Protein,,,,,[Mg+2],
,,,NAP:A:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1GRP,,,,,,,
,,,ICT:A:418,valid,Ki,=,0.189,mM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,,9ICD,,,,,,,
,,,NAP:A:417,valid,Kd,=,125,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4AJ3,,,,,,,
,,,CA:A:1419,Part of Protein,,,,,[Ca+2],
,,,ICT:A:1418,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,NAP:A:1417,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4AJA,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,1AI3,,,,,,,
,,,ICT:A:418,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:419,Part of Protein,,,,,[Mg+2],
,,,NDO:A:417,valid,Ki,=,403,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N,
,,1ISO,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BNP,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ICT:A:502,valid,Ki,=,96,uM,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,1CW1,,,,,,,
,,,ICT:A:417,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MN:A:418,Part of Protein,,,,,[Mn+2],
,,,SO4:A:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IDE,,,,,,,
,,,ICT:A:418,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,,,NAP:A:419,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HJ6,,,,,,,
,,,GOL:A:1417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1418,invalid,,,,,C(C(CO)O)O,
,,,IPM:A:1419,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,MG:A:1421,Part of Protein,,,,,[Mg+2],
,,,NAP:A:1420,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1AI2,,,,,,,
,,,ATOMS_3246_3247_3248_3249_3250_3251_3252_3253_3254_3255_3256_3257_3258_:A:418,invalid,,,,,,
,,,ATOMS_3259_:A:418,Part of Protein,,,,,,
,,,NAP:A:417,valid,Ki,=,2.7,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,8ICD,,,,,,,
,,,ICT:A:418,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MG:A:417,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1HQS,,,,,,,
,,,CIT:A:425,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:825,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PGO:A:901,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:902,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:903,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:904,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:905,invalid,,,,,C[C@@H](CO)O,
,,,PGR:A:906,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:907,invalid,,,,,C[C@H](CO)O,
,Family. Representative Entry is ,4HCX,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6ADI,,,,,,,
,,,9UO:A:502,valid,ic50,=,31.7,nM,C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5SVN,,,,,,,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,4JA8,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,1K9:A:502,valid,,,,,c1cc(cc(c1)NC(=O)Nc2cc(ccc2c3ccsc3)S(=O)(=O)NC4CC4)C(F)(F)F,
,,6VFZ,,,,,,,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,9UO:A:501,valid,,,,,C[C@H](C(F)(F)F)Nc1nc(nc(n1)N[C@H](C)C(F)(F)F)c2cccc(n2)Cl,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,1LWD,,,,,,,
,,,ICT:A:701,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:702,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5I95,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,AKG:A:508,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5H3E,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,ICT:B:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:A:502,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,5I96,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:509,Part of Protein,,,,,[Ca+2],
,,,69Q:B:502,valid,ic50,=,100,nM,CC(C)(CNc1nc(nc(n1)Nc2ccnc(c2)C(F)(F)F)c3cccc(n3)C(F)(F)F)O,
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,5SVO,,,,,,,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,3MBC,,,,,,,
,,,MG:A:739,Part of Protein,,,,,[Mg+2],
,,,MG:B:739,Part of Protein,,,,,[Mg+2],
,,,NAP:A:740,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1ITW,,,,,,,
,,,ICT:A:743,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:744,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:C:743,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:D:743,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,MN:A:742,Part of Protein,,,,,[Mn+2],
,,,MN:B:742,Part of Protein,,,,,[Mn+2],
,,,MN:B:743,Part of Protein,,,,,[Mn+2],
,,,MN:C:742,Part of Protein,,,,,[Mn+2],
,,,MN:D:742,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1XKD,,,,,,,
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:A:1006,Part of Protein,,,,,[Ca+2],
,,,ICT:A:1002,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,ICT:B:1004,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1TYO,,,,,,,
,,,ENP:A:1001,valid,,,,,c1cn2cnc3c(c2n1)ncn3[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)O)O)O)O)OP(=O)(O)O,
2.5.1.34,,,,,,,,,
,Family. Representative Entry is ,3I4X,,,,,,,
,,,DST:A:460,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:460,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,GOL:A:462,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:463,invalid,,,,,C(C(CO)O)O,
3.1.13.4,,,,,,,,,
,Family. Representative Entry is ,3CTR,,,,,,,
,,,MGP:A:1,valid,Kd,=,6.94,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5DV2,,,,,,,
,,,C5P:A:601,valid,ic50,=,1250,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,5DV4,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NMY:A:601,valid,ic50,=,3370,uM,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,3NGN,,,,,,,
,,,AMP:A:556,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:557,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
5.1.1.11,,,,,,,,,
,Family. Representative Entry is ,1AMU,,,,,,,
,,,AMP:A:567,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:567,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:564,Part of Protein,,,,,[Mg+2],
,,,MG:B:564,Part of Protein,,,,,[Mg+2],
,,,SO4:A:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:565,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5N81,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8Q2:A:501,valid,,,,,C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,8Q2:B:501,valid,,,,,C#CCOc1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,BTB:B:502,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,5N82,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8PZ:A:503,valid,,,,,c1ccc(cc1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,BTB:A:502,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
3.1.3.10,,,,,,,,,
,Family. Representative Entry is ,1NT4,,,,,,,
,,,G1P:A:2000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
1.8.1.-,,,,,,,,,
,Family. Representative Entry is ,1FL2,,,,,,,
,,,FAD:A:522,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:524,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:525,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:526,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:527,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YKG,,,,,,,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:619,invalid,,,,,C(COCCO)O,
,,,PEG:A:620,invalid,,,,,C(COCCO)O,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CD:A:612,invalid,,,,,[Cd+2],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4YKF,,,,,,,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:619,invalid,,,,,C(COCCO)O,
,,,PEG:A:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:617,invalid,,,,,C(COCCO)O,
,,,NAI:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1HYU,,,,,,,
,,,CL:A:900,invalid,,,,,[Cl-],
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.26,,,,,,,,,
,Family. Representative Entry is ,6BII,,,,,,,
,,,NAP:A:401,valid,Ki,=,2000,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,Ki,=,2000,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2DBZ,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2DBQ,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5AOV,,,,,,,
,,,1PE:A:1359,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1339,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1349,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1355,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1342,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1345,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1343,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1341,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1340,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1337,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1338,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1344,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1347,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1348,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1346,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:A:1351,invalid,,,,,C(CO)O,
,,,EDO:A:1352,invalid,,,,,C(CO)O,
,,,EDO:A:1350,invalid,,,,,C(CO)O,
,,,ACY:A:1357,invalid,,,,,CC(=O)O,
,,,ACY:A:1358,invalid,,,,,CC(=O)O,
,,,GLV:A:1356,valid,,,,,C(=O)C(=O)O,
,,,GLV:A:1336,valid,,,,,C(=O)C(=O)O,
,,,NAP:A:1335,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.1.119,,,,,,,,,
,Family. Representative Entry is ,6IY9,,,,,,,
,,,HY0:B:401,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,HY0:A:401,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,,FLC:B:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:403,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NHE:A:402,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:403,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
1.1.99.28,,,,,,,,,
,Family. Representative Entry is ,1RYD,,,,,,,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,BME:B:602,invalid,,,,,C(CS)O,
,,,GLC:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NDP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1RYE,,,,,,,
,,,BME:A:604,invalid,,,,,C(CS)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1H6C,,,,,,,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SIN:A:600,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:600,valid,,,,,C(CC(=O)O)C(=O)O,
,,1H6D,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:600,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:I:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:J:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:K:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:L:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1H6A,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.4.23.16,,,,,,,,,
,Family. Representative Entry is ,3QIN,,,,,,,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,P1Y:A:700,valid,Kd,=,136,nM,COc1ccc(cc1Br)Cc2nc(c(c(n2)O)O)C(=O)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HYF,,,,,,,
,,,ACT:A:650,invalid,,,,,CC(=O)[O-],
,,,GOL:A:698,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:699,invalid,,,,,C(C(CO)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,ON1:A:701,valid,ic50,=,1.2,uM,c1cc(c(cc1Cc2nc(c(c(n2)O)O)C(=O)O)Cl)Cl,
,,3QIO,,,,,,,
,,,MN:A:1,Part of Protein,,,,,[Mn+2],
,,,MN:A:2,Part of Protein,,,,,[Mn+2],
,,,QID:A:700,valid,Kd,=,144,nM,c1ccc(cc1)S(=O)(=O)c2ccc3c(c2)C(=O)N(C(=O)N3)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6C8X,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,BVR:A:101,valid,Ki,=,0.5,pM,B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O,
,,4HEG,,,,,,,
,,,G52:A:401,valid,Ki,=,1.2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,1MER,,,,,,,
,,,DMQ:A:450,valid,Ki,=,10,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O,
,,6B3H,,,,,,,
,,,CN4:B:101,valid,,,,,c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,,CN4:A:101,valid,,,,,c1cc(c(c(c1)F)CC[C@H]2CN[C@@H]3CCCS(=O)(=O)N2C3)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,4HLA,,,,,,,
,,,017:A:200,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,3TKW,,,,,,,
,,,017:B:401,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,NA:A:611,Part of Protein,,,,,[Na+],
,,,PHE:B:99,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,4COE,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,M17:A:1101,valid,Ki,=,65,nM,CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O,
,,1HVR,,,,,,,
,,,XK2:A:263,valid,Ki,=,0.31,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc4ccccc4c3)Cc5ccc6ccccc6c5)Cc7ccccc7)O)O,
,,2BPV,,,,,,,
,,,1IN:B:902,valid,Ki,=,21.2,nM,C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)CCc4cccnc4)O)O,
,,1G35,,,,,,,
,,,AHF:B:501,valid,Ki,=,7.3,nM,COC(c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccc(cc3)CO)COc4ccccc4)O)O)COc5ccccc5)O,
,,2QI5,,,,,,,
,,,MZ7:B:200,valid,Ki,=,0.014,nM,CCCCC[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)C)O)S(=O)(=O)c2ccc3c(c2)scn3,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6IXD,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B0F:B:101,valid,Ki,=,0.16,nM,Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)NC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,CL:B:105,invalid,,,,,[Cl-],
,,4K4R,,,,,,,
,,,DMS:A:101,invalid,,,,,CS(=O)C,
,,,3TL:A:106,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,NO3:B:101,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:105,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:103,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:103,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:104,invalid,,,,,[N+](=O)([O-])[O-],
,,,BR:B:104,invalid,,,,,[Br-],
,,,27B:A:102,valid,,,,,c1ccc2c(c1)ccc(c2Br)C(=O)O,
,,,27B:B:102,valid,,,,,c1ccc2c(c1)ccc(c2Br)C(=O)O,
,,6MCS,,,,,,,
,,,JDV:A:101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,3CKT,,,,,,,
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,YDP:A:2501,valid,Ki,=,0.48,uM,CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C,
,,6OXO,,,,,,,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NJM:A:101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO,
,,2AVS,,,,,,,
,,,ACY:B:603,invalid,,,,,CC(=O)O,
,,,ACY:B:604,invalid,,,,,CC(=O)O,
,,,ACY:B:605,invalid,,,,,CC(=O)O,
,,,ACY:B:606,invalid,,,,,CC(=O)O,
,,,DMS:B:401,invalid,,,,,CS(=O)C,
,,,MK1:B:902,valid,Ki,=,27,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IDW,,,,,,,
,,,017:B:401,valid,Ki,=,1.3,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,ACY:A:605,invalid,,,,,CC(=O)O,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,ACY:B:603,invalid,,,,,CC(=O)O,
,,,ACY:B:604,invalid,,,,,CC(=O)O,
,,,ACY:B:606,invalid,,,,,CC(=O)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,DMS:A:901,invalid,,,,,CS(=O)C,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2I4V,,,,,,,
,,,DJR:B:300,valid,Ki,=,6.3,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,1NPV,,,,,,,
,,,L27:A:479,valid,ic50,=,5.7,nM,c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6,
,,1HIV,,,,,,,
,,,1ZK:A:100,valid,Ki,<,1,nM,CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O,
,,4I8Z,,,,,,,
,,,G08:A:101,valid,Ki,=,8.9,pM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)N,
,,2F3K,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RO1:A:506,valid,Kd,=,0.95,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1CC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)S(=O)(=O)C)NC(=O)COc4cccnc4,
,,4ZIP,,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:203,invalid,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,G64:B:201,valid,Ki,=,0.21,nM,Cc1cc(cc(c1)C(=O)N(C)Cc2c(oc(n2)C)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O,
,,3R4B,,,,,,,
,,,74T:A:200,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)sc(n5)NC6CCN(CC6)C7CCCC7,
,,,PO4:A:100,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1AJV,,,,,,,
,,,NMB:A:501,valid,Ki,=,19.1,nM,c1ccc(cc1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5,
,,4U7V,,,,,,,
,,,3EN:B:101,valid,Ki,=,3.2,uM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N,
,,,BME:B:102,invalid,,,,,C(CS)O,
,,,BME:A:101,invalid,,,,,C(CS)O,
,,6DJ7,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,ACT:B:205,invalid,,,,,CC(=O)[O-],
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,G10:B:201,valid,Ki,=,1.9,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,1GNM,,,,,,,
,,,U0E:A:100,valid,Ki,=,560,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,,U0E:A:101,valid,Ki,=,560,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,3KDB,,,,,,,
,,,006:B:100,valid,Kd,=,0.14,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C,
,,,GOL:A:100,invalid,,,,,C(C(CO)O)O,
,,6DH8,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A60:A:105,valid,Ki,=,146.2,pM,CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,1B6K,,,,,,,
,,,PI5:A:201,valid,Ki,=,1.8,nM,CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N4CCCC4=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DQF,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QBT,,,,,,,
,,,146:B:300,valid,Ki,=,0.024,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O,
,,5COO,,,,,,,
,,,52Z:B:101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC,
,,6PJF,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OP7:A:101,valid,Ki,=,0.235,nM,COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,4HDF,,,,,,,
,,,CL:B:101,invalid,,,,,[Cl-],
,,,G52:A:401,valid,Ki,=,3.2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,4FM6,,,,,,,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,GOL:A:105,invalid,,,,,C(C(CO)O)O,
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,TYR ASP GLN ILE ILE ILE:C:259,valid,,,,,O=C(NC(C=O)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])C)C(CC)C,
,,6E9A,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,J0S:B:201,valid,Ki,=,0.0012,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3)O)S(=O)(=O)c4ccc(cc4)OC,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,FMT:B:204,invalid,,,,,C(=O)O,
,,4FLG,,,,,,,
,,,ASP GLN ILE ILE:C:260,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(CC)C,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:B:105,invalid,,,,,[Cl-],
,,,GLN ILE ILE:E:361,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)C(CC)C,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,ILE GLU ILE:F:364,invalid,,,,,O=C(NC(C(=O)NC(C=O)C)CCC(=O)[O-])C([NH3+])C(CC)C,
,,,NA:B:102,Part of Protein,,,,,[Na+],
,,1W5X,,,,,,,
,,,BE5:A:501,valid,Ki,=,4,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5F)F)O)O)OCc6cccc(c6F)F)O,
,,6CDJ,,,,,,,
,,,ACT:B:104,invalid,,,,,CC(=O)[O-],
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,GR8:A:201,valid,Ki,=,2,pM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,4CPU,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,V78:B:1202,valid,Ki,=,29.5,nM,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,3ZPU,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,M8B:B:1202,valid,Ki,=,4.2,nM,CC(C)(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,1K6P,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,XN3:B:807,valid,Kd,=,44,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5ccc6c(c5)OCO6,
,,6OXR,,,,,,,
,,,NJA:A:101,valid,,,,,C[C@@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O,
,,1Z1R,,,,,,,
,,,HBH:A:201,valid,Ki,=,0.6,nM,CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O)c3ccccc3,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3OK9,,,,,,,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,G52:A:401,valid,Ki,=,5.9,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,2IEO,,,,,,,
,,,017:A:402,valid,Ki,=,3.2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,3B7V,,,,,,,
,,,ASN LEU LNT GLN ILE:C:201,valid,,,,,O=C(NC(C=O)CCC(=O)N)C([NH2+]C(O)(O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:B:903,invalid,,,,,[Cl-],
,,,CL:B:904,invalid,,,,,[Cl-],
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,1SDU,,,,,,,
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,MK1:B:902,valid,Ki,=,86,pM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B6J,,,,,,,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASN RTY PRO ILE VAL NH2:C:1,valid,Ki,=,12,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C1[NH+](CC(O)C2NC(=O)C(CC(=O)N)NC(=O)CCCOc3ccc(cc3)C2)CCC1)C(CC)C)C(C)C,
,,4DQC,,,,,,,
,,,017:A:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3MXE,,,,,,,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,K54:A:200,valid,Ki,=,0.097,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)scn5,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2HB3,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,CL:B:902,invalid,,,,,[Cl-],
,,,CL:B:903,invalid,,,,,[Cl-],
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GRL:B:201,valid,Ki,=,0.0045,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO,
,,,NA:A:904,Part of Protein,,,,,[Na+],
,,,NA:B:905,Part of Protein,,,,,[Na+],
,,7UPJ,,,,,,,
,,,INU:A:100,valid,Ki,=,3.2,nM,c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O,
,,1EBZ,,,,,,,
,,,BEC:B:501,valid,Ki,=,0.4,nM,CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4ccccc4,
,,6DH5,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A60:A:104,valid,,,,,CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,1HBV,,,,,,,
,,,GAN:A:600,valid,Ki,=,430,nM,CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C)[N@@]1CCC(=C[C@H](C1)Cc2ccccc2)[C@H](C)NC(=O)[C@H](C)N,
,,1D4I,,,,,,,
,,,BEG:A:501,valid,Ki,=,1.4,nM,c1ccc(cc1)CO[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,5JFU,,,,,,,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,6KQ:B:201,valid,Ki,=,8.5,nM,COc1ccc(cc1)S(=O)(=O)N(Cc2ccccc2)C[C@H]([C@H](CC34CC5CC(C3)CC(C5)C4)NC(=O)O[C@H]6CO[C@@H]7[C@H]6CCO7)O,
,,4GZF,,,,,,,
,,,ILO VAL DC0 GLU ALA NLE:C:1,valid,ic50,=,4.4,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH2+]CC(NC(=O)C(NC(=O)C([NH3+])CCCN=C(N)C)C(C)C)CC(C)C)Cc1ccccc1)CCC(=O)[O-])C)CCCC,
,,2F8G,,,,,,,
,,,017:B:401,valid,Ki,=,2,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACY:A:602,invalid,,,,,CC(=O)O,
,,,ACY:B:601,invalid,,,,,CC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,5IVQ,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,6EH:A:101,valid,,,,,COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)NCCC[C@@H]3CNCCO3,
,,4CPQ,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,9MW:A:1101,valid,,,,,CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O,
,,1MT9,,,,,,,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:P:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1B6L,,,,,,,
,,,PI4:A:201,valid,Ki,=,5,nM,CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)CC(=O)N)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B3F,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CKV:B:101,valid,,,,,C[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5,
,,2PWC,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,G3G:A:501,valid,Ki,=,0.27,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,2HS1,,,,,,,
,,,017:A:201,valid,Ki,=,3.3,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:203,valid,Ki,=,3.3,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,6OXW,,,,,,,
,,,NFJ:A:101,valid,,,,,CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O,
,,1W5V,,,,,,,
,,,BE3:A:1100,valid,Ki,=,7.1,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cccc(c5)F)O)O)OCc6cccc(c6)F)O,
,,2R5Q,,,,,,,
,,,1UN:B:900,valid,Ki,=,2.7,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,,1UN:D:900,valid,Ki,=,2.7,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,3M9F,,,,,,,
,,,595:A:100,valid,ic50,=,0.007,nM,C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC,
,,,595:B:100,valid,ic50,=,0.007,nM,C[C@@H](CCC[C@@H](C=O)[N@@](CCC(C)C)S(=O)(=O)c1ccc(cc1)N)NC(=O)[C@H](C(c2ccccc2)c3ccccc3)NC(=O)OC,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,6DGX,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:101,valid,Ki,<,5,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,3MXD,,,,,,,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,K53:A:200,valid,Ki,=,1.47,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccccc3O)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2Q5K,,,,,,,
,,,AB1:A:201,valid,Ki,=,0.005,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4CPW,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,V78:A:1101,valid,,,,,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)[C@@H]4CC=S=C4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,2AVV,,,,,,,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,ACY:E:603,invalid,,,,,CC(=O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:D:501,invalid,,,,,[Cl-],
,,,MK1:A:901,valid,Ki,=,0.55,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,MK1:E:902,valid,Ki,=,0.55,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,4LL3,,,,,,,
,,,017:A:202,valid,Kd,=,2.7,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:A:201,valid,Kd,=,2.7,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6OOT,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AOH,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,VAL SER PHE ASN FRD PRO GLN ILE THR ALA:C:301,valid,Ki,=,36.3,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(CN1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C(CC)C)CCC(=O)N)CCC1)Cc1ccccc1)CC(=O)N)Cc1ccccc1)CO)C([NH3+])C(C)C,
,,3ZPS,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,EQM:B:1202,valid,,,,,CC(C)(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc2ccccc2)O,
,,3D1Z,,,,,,,
,,,017:B:201,valid,Ki,=,1.6,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACY:B:301,invalid,,,,,CC(=O)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,1FG6,,,,,,,
,,,2NC:D:300,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,1T3R,,,,,,,
,,,017:A:1200,valid,Ki,=,14,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4HE9,,,,,,,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,G52:A:401,valid,Ki,=,3.5,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,6OY0,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NJ7:A:103,valid,,,,,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O,
,,1BV7,,,,,,,
,,,XV6:A:638,valid,Ki,=,0.5,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O,
,,1HPS,,,,,,,
,,,RUN:B:400,valid,Ki,=,0.6,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4,
,,,RUN:B:600,valid,Ki,=,0.6,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccccc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4ccccc4,
,,6O48,,,,,,,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,0Q4:B:201,valid,Ki,=,75,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,2I4U,,,,,,,
,,,DJR:A:300,valid,Ki,=,2.7,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,5AH9,,,,,,,
,,,C7L:A:1101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,5IVR,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,6EG:B:101,valid,,,,,COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H](CO)NCc4ccc(cc4)N,
,,6DH0,,,,,,,
,,,017:A:101,valid,Ki,=,25.6,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,4EJL,,,,,,,
,,,PEG:A:101,invalid,,,,,C(COCCO)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:102,invalid,,,,,CS(=O)C,
,,,DMS:B:101,invalid,,,,,CS(=O)C,
,,,IOP:A:106,valid,Kd,=,7.2,uM,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,6KMP,,,,,,,
,,,KVS:B:201,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O,
,,6PJL,,,,,,,
,,,OQA:A:101,valid,Ki,=,0.027,nM,CC[C@@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,,SO4:A:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LZS,,,,,,,
,,,017:A:200,valid,Kd,=,0.0109,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:100,invalid,,,,,CC(=O)[O-],
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,ACT:B:100,invalid,,,,,CC(=O)[O-],
,,2NXD,,,,,,,
,,,GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA:P:2,valid,Kd,=,2.2,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(NC(=O)C(NC(=O)C(N)C)C)C(CC)C,
,,3S56,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ROC:A:201,valid,Ki,=,0.24,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,ROC:B:203,valid,Ki,=,0.24,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,5COK,,,,,,,
,,,52U:A:400,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,6PJG,,,,,,,
,,,ORV:A:101,valid,Ki,=,0.019,nM,C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,3FX5,,,,,,,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,KNI:B:900,valid,Ki,<,1,nM,CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O,
,,5JG1,,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:203,invalid,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,6KR:B:201,valid,Ki,=,1.9,nM,CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCCO5)O)S(=O)(=O)c6ccc(cc6)OC,
,,6OXZ,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NJG:A:102,valid,,,,,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O,
,,2NNP,,,,,,,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,ROC:A:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KFN,,,,,,,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,4DX:A:201,valid,,,,,C[C@H]1CCCC[C@@H]1O,
,,,BME:B:300,invalid,,,,,C(CS)O,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,K:A:307,Part of Protein,,,,,[K+],
,,,K:B:306,Part of Protein,,,,,[K+],
,,3R0W,,,,,,,
,,,RSY:A:301,valid,ic50,=,30.3,uM,CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CCl)NC(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)c2ccccn2)O,
,,4KB9,,,,,,,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,G79:A:201,valid,Ki,=,0.01,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCC[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,6DV0,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,GA8:B:201,valid,Ki,=,0.38,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@H](CCS3)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,1VIK,,,,,,,
,,,BAY:B:201,valid,ic50,=,0.3,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C,
,,1XL5,,,,,,,
,,,190:B:1001,valid,Ki,=,45,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2cccc(c2)Br)[C@@H](C[C@H](CC(C)C)S(=O)(=O)c3ccc(cc3)F)O)C,
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2603,invalid,,,,,[Cl-],
,,2I4X,,,,,,,
,,,KGQ:B:300,valid,Ki,=,1.9,pM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,4HVP,,,,,,,
,,,2NC:B:0,valid,Ki,=,0.78,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,2JE4,,,,,,,
,,,ACE SER LEU ASN JG3 ILE VME:C:1,valid,,,,,O=C(OC)C(NC(=O)C(NC(=O)C1[NH+](CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)CC(C)C)CC(=O)N)Cc2ccccc2)CCC1)C(CC)C)C(C)C,
,,,ACT:A:1100,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1101,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1100,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1101,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OBJ,,,,,,,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:104,invalid,,,,,C(CO)O,
,,,EDO:A:105,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:B:105,invalid,,,,,C(CO)O,
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:102,invalid,,,,,CC(=O)[O-],
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,,ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)CCC(=O)N)CC(C)C)Cc1ccccc1)C(NC(=O)CN)CC(=O)N,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:106,invalid,,,,,C(C(CO)O)O,
,,1FFI,,,,,,,
,,,2NC:D:300,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,4CPR,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,378:A:1101,valid,Ki,=,35,nM,CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2cccs2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O,
,,1C70,,,,,,,
,,,L75:B:423,valid,Ki,=,0.05,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cc6ccccc6o5,
,,1B6P,,,,,,,
,,,PI7:A:201,valid,Ki,=,3,nM,CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6OXQ,,,,,,,
,,,F53:A:101,valid,,,,,CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QI0,,,,,,,
,,,MZ3:B:200,valid,Ki,=,42,nM,Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2Q3K,,,,,,,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,MUW:A:200,valid,,,,,CC(C)C[N@@]([C@@H](CCCCNC(=O)[C@H](C(c1ccccc1)c2ccccc2)NC(=O)OC)CO)S(=O)(=O)c3ccc(cc3)CN,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2R3T,,,,,,,
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,G4G:B:2501,valid,Ki,=,1.4,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N,
,,1MTR,,,,,,,
,,,PI6:B:101,valid,Ki,=,4,nM,CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KR2,,,,,,,
,,,ROC:C:101,valid,Ki,=,3.3,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,ROC:A:101,valid,Ki,=,3.3,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,3NU5,,,,,,,
,,,478:B:401,valid,Ki,=,4.5,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:801,invalid,,,,,CC(=O)[O-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:517,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,6VCE,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,G6R:B:201,valid,ic50,=,79,pM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)C[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,3JVY,,,,,,,
,,,017:B:401,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,1ZTZ,,,,,,,
,,,ALA GLY ALA ALA:P:1,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C=O)C)C)C([NH3+])C,
,,,CB5:B:1002,valid,Ki,=,66,nM,[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153,
,,,CB5:P:1001,valid,Ki,=,66,nM,[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153,
,,2NXM,,,,,,,
,,,GLY ALA GLN THR PHE TYR VAL ASP GLY ALA:P:2,valid,Kd,=,6.4,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(=O)[O-])C(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(NC(=O)C(NC(=O)C(N)C)CCC(=O)N)C(O)C,
,,4E43,,,,,,,
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,,ASN LEU LEU GLN LYS LYS:C:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCC[NH3+])CCC(=O)N)CC(C)C)CC(C)C)C([NH3+])CC(=O)N,
,,,BME:B:103,invalid,,,,,C(CS)O,
,,,DMS:A:101,invalid,,,,,CS(=O)C,
,,,DMS:A:102,invalid,,,,,CS(=O)C,
,,,DMS:B:101,invalid,,,,,CS(=O)C,
,,,DMS:B:102,invalid,,,,,CS(=O)C,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:107,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:106,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:107,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:108,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:109,invalid,,,,,C(C(CO)O)O,
,,1D4S,,,,,,,
,,,TPV:A:201,valid,Ki,=,0.008,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,3PWM,,,,,,,
,,,017:B:402,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,2AOD,,,,,,,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,UNX 2NC:A:407,valid,Ki,=,2.17,uM,O=C(NC(C(=O)NC(C[NH2+]C(C(=O)NC(C(=O)NC(C(=O)N)CCC[NH+]=C(N)N)CCC(=O)N)CCCC)CCCC)C(CC)C)C(NC(=O)C)C(O)C.[#0],
,,5COP,,,,,,,
,,,53F:B:500,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)OC)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)N,
,,2UXZ,,,,,,,
,,,HI1:A:1100,valid,Ki,=,3.3,nM,CC(C)(C)[C@@H](C(=O)N[N@](CCC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)Br)NC(=O)OC,
,,4ZLS,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,G61:B:201,valid,Ki,=,0.82,nM,CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)c2cc(cc(c2)OC)OC)NC(=O)OC(C)(C)C)O)S(=O)(=O)c3ccc(cc3)OC,
,,5BS4,,,,,,,
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,4UX:A:201,valid,Ki,=,0.0099,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)N,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,6D0D,,,,,,,
,,,FQ4:B:400,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,3EKW,,,,,,,
,,,DR7:B:100,valid,Kd,=,10.9,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3I8W,,,,,,,
,,,CB5:A:100,valid,Ki,=,4.9,nM,[B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,3OTY,,,,,,,
,,,GLU THR PHE TYR VAL ASP GLY:P:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CC(=O)[O-])C(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(NC(=O)C([NH3+])CCC(=O)[O-])C(O)C,
,,6DJ5,,,,,,,
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,G52:B:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,NA:A:101,Part of Protein,,,,,[Na+],
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:208,invalid,,,,,C(C(CO)O)O,
,,4CP7,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,9MW:A:1101,valid,Ki,=,7.8,nM,CC(C)[C@@H](C(=O)NCC=C)NC(=O)[C@@](CCCN(Cc1ccc(cc1)c2ccncc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccc(cc3)CC=C)O,
,,6PJK,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OQD:A:101,valid,Ki,=,0.055,nM,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,1MT8,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:P:508,invalid,,,,,CC(=O)[O-],
,,,LYS ALA ARG VAL LEU ALA GLU ALA MET SER:P:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C)CCC(=O)[O-])C)C=O)C,
,,2HS2,,,,,,,
,,,017:A:201,valid,Ki,=,4.9,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:203,valid,Ki,=,4.9,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DMS:B:801,invalid,,,,,CS(=O)C,
,,4EJK,,,,,,,
,,,IVA VAL VAL STA ALA STA:N:1,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IOP:A:101,valid,Kd,=,5.3,uM,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,3EL1,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,DR7:A:100,valid,Kd,=,0.23,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,3DCK,,,,,,,
,,,KVI:B:101,valid,,,,,[H]/N=C(/N)NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,2Z4O,,,,,,,
,,,065:B:404,valid,Ki,=,0.27,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,ACT:B:802,invalid,,,,,CC(=O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,4DJO,,,,,,,
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,MK5:A:101,valid,Ki,=,0.003,nM,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCNC(=O)C(Cl)Cl)O)S(=O)(=O)c2ccc(cc2)OC,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1PRO,,,,,,,
,,,A88:A:301,valid,Ki,=,5,pM,COc1cc(ccc1O)CN2[C@@H]([C@@H](C[N@](N(C2=O)Cc3ccc(c(c3)OC)O)Cc4ccccc4)O)Cc5ccccc5,
,,1QBR,,,,,,,
,,,XV6:A:638,valid,Ki,=,0.027,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O,
,,1T7K,,,,,,,
,,,BH0:B:1000,valid,Ki,=,1.37,nM,c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c5)C#N)O,
,,1HVI,,,,,,,
,,,A77:A:800,valid,Ki,=,84,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,2BPZ,,,,,,,
,,,3IN:B:902,valid,Ki,=,39.8,nM,C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O,
,,4QJA,,,,,,,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG LEU:P:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MET,,,,,,,
,,,DMP:A:323,valid,Ki,=,0.4,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,6PJD,,,,,,,
,,,OQY:A:101,valid,Ki,=,0.018,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QHZ,,,,,,,
,,,MZ2:A:200,valid,Ki,=,53,nM,C/C(=CC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)/C(F)(F)F,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6B36,,,,,,,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CKD:B:101,valid,,,,,c1ccc(cc1)S(=O)(=O)N2CCNC[C@@H]2CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,4DQH,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,4Q1W,,,,,,,
,,,PO4:A:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,017:A:104,valid,Ki,=,2,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,1N49,,,,,,,
,,,RIT:B:301,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,,RIT:D:401,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,1AXA,,,,,,,
,,,U0E:A:100,valid,,,,,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,,U0E:A:101,valid,,,,,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,6DGY,,,,,,,
,,,K13:A:103,valid,Ki,<,5,pM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZPT,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,M8Y:B:1202,valid,Ki,=,3.1,nM,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)Br)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,2AZ9,,,,,,,
,,,3TL:A:200,valid,ic50,=,22,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,1W5Y,,,,,,,
,,,BE6:A:1100,valid,Ki,=,3.3,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5cc(ccc5F)F)O)O)OCc6cc(ccc6F)F)O,
,,1IZI,,,,,,,
,,,CL:A:100,invalid,,,,,[Cl-],
,,,CL:B:100,invalid,,,,,[Cl-],
,,,Q50:B:1001,valid,Ki,=,0.26,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N,
,,1MRW,,,,,,,
,,,K57:A:1001,valid,Kd,=,0.2,nM,Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O,
,,1Z1H,,,,,,,
,,,HBB:A:201,valid,Ki,=,4,nM,CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccccc3,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1K2C,,,,,,,
,,,0Q4:B:401,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,1ODX,,,,,,,
,,,0E8:A:201,valid,,,,,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O,
,,4QJ9,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG PRO GLY ASN PHE LEU GLN SER SER PRO:G:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,1NPA,,,,,,,
,,,3NH:A:100,valid,ic50,=,2,nM,c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(CN2)[C@H]3c4ccccc4C[C@H]3OC(N)O)Cc5ccccc5)O)NC(=O)OC6CCOC6,
,,3EL5,,,,,,,
,,,1UN:B:201,valid,Kd,=,18.9,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,,ACT:A:100,invalid,,,,,CC(=O)[O-],
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,ACT:A:102,invalid,,,,,CC(=O)[O-],
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:105,invalid,,,,,CC(=O)[O-],
,,,ACT:B:100,invalid,,,,,CC(=O)[O-],
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,ACT:B:104,invalid,,,,,CC(=O)[O-],
,,2AOE,,,,,,,
,,,0Q4:B:301,valid,Ki,=,0.024,uM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,ACY:A:602,invalid,,,,,CC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,6OXT,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NEJ:A:101,valid,,,,,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O,
,,1K6V,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,XN2:B:252,valid,Kd,=,120,nM,C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3ccc4c(c3)OCO4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,3SPK,,,,,,,
,,,TPV:A:100,valid,ic50,=,3.02,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,,TPV:B:100,valid,ic50,=,3.02,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,6DJ2,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,AB1:B:201,valid,Ki,=,4.5,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,6BZ2,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,7OA:B:201,valid,Ki,=,14,pM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,2Q64,,,,,,,
,,,1UN:B:1001,valid,Kd,=,3,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,1EBW,,,,,,,
,,,BEI:A:501,valid,Ki,=,0.9,nM,CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2,
,,3NU4,,,,,,,
,,,478:B:401,valid,Ki,=,1.5,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,1WBM,,,,,,,
,,,BLL:B:1100,valid,,,,,c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CCc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,5JFP,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,6KK:B:201,valid,Ki,=,0.48,nM,CC(C)CN(C[C@H]([C@H](CC12CC3CC(C1)CC(C3)C2)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)S(=O)(=O)c6ccc(cc6)OC,
,,3D1X,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,ROC:A:201,valid,Ki,=,2.2,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1QBU,,,,,,,
,,,846:B:300,valid,Ki,=,0.058,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)CC5CC5)Cc6ccccc6)O)O,
,,1HTF,,,,,,,
,,,G26:A:100,valid,ic50,=,148,nM,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C,
,,,G26:B:100,valid,ic50,=,148,nM,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)CO)C,
,,2I0D,,,,,,,
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,MUT:A:200,valid,Ki,=,0.0008,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NPW,,,,,,,
,,,LGZ:A:479,valid,ic50,=,2,nM,c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4C[C@H]3OC(=O)N)Cc5ccccc5)O)NC(=O)OC6CCOC6,
,,1AJX,,,,,,,
,,,AH1:A:500,valid,Ki,=,12.2,nM,c1ccc(cc1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5,
,,1GNO,,,,,,,
,,,U0E:B:100,valid,Ki,=,20,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,,U0E:B:101,valid,Ki,=,20,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,3AID,,,,,,,
,,,ARQ:A:401,valid,Ki,=,137,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@@+](C)(Cc2ccccc2)NC(=O)c3ccccc3)O,
,,1D4K,,,,,,,
,,,PI8:A:201,valid,Ki,=,0.6,nM,CC[C@H](C)[C@H]1C(=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FFF,,,,,,,
,,,0Q4:D:401,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,4PHV,,,,,,,
,,,VAC:B:100,valid,ic50,=,0.67,nM,c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,,VAC:B:101,valid,ic50,=,0.67,nM,c1ccc(cc1)C[C@H](CC(C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,5DGW,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,5B5:A:201,valid,Ki,=,0.009,nM,CCN[C@H]1CO[C@H]2[C@@H]1[C@H](CCO2)OC(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)OC)O,
,,6OY2,,,,,,,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NJJ:A:101,valid,,,,,CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O,
,,6PJH,,,,,,,
,,,OQG:A:101,valid,Ki,=,0.074,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NH0,,,,,,,
,,,BME:A:5001,invalid,,,,,C(CS)O,
,,,BME:B:5002,invalid,,,,,C(CS)O,
,,,KI2 PHE GLU GLU NH2:I:1,valid,Ki,=,0.18,nM,O=C(OCc1ccccc1)NC(C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1,
,,,KI2 PHE GLU GLU NH2:J:1,valid,Ki,=,0.18,nM,O=C(OCc1ccccc1)NC(C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1,
,,,SO4:A:6001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6U7P,,,,,,,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,B4R:A:201,valid,,,,,B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CCO[C@@H]4[C@H]3CCO4)O)CC(C)C)(O)O,
,,,FMT:B:104,invalid,,,,,C(=O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,1ODW,,,,,,,
,,,0E8:A:201,valid,Ki,=,100,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CNC[C@H]([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)O)O,
,,2BBB,,,,,,,
,,,HH1:A:301,valid,ic50,=,2.4,nM,c1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6,
,,4U7Q,,,,,,,
,,,3EM:B:101,valid,Ki,=,180,pM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O,
,,3OTS,,,,,,,
,,,GLN ASN TYR PRO ILE VAL GLN:P:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CC(=O)N)Cc2ccc(O)cc2)CCC1)C(CC)C)C(C)C)C,
,,6DIL,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,TPV:B:201,valid,Ki,=,7.6,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,4CPS,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,1T8:B:1202,valid,,,,,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,2NMY,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ROC:A:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QCI,,,,,,,
,,,065:B:404,valid,Ki,=,4.6,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,ACT:B:802,invalid,,,,,CC(=O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2AVQ,,,,,,,
,,,2NC:B:300,valid,Ki,=,41,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,1DAZ,,,,,,,
,,,0Q4:D:601,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,5CON,,,,,,,
,,,52W:B:101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)O)O)S(=O)(=O)c4ccc(cc4)OC,
,,4QJ8,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG LEU:E:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG LEU:F:1,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,PO4:A:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1U8G,,,,,,,
,,,KI2 PHE GLU GLU NH2:I:1,valid,,,,,O=C(OCc1ccccc1)NC(C(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1,
,,1IZH,,,,,,,
,,,Q50:B:1001,valid,Ki,=,0.02,uM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)C[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N,
,,6OGP,,,,,,,
,,,MJD:A:102,valid,ic50,=,0.055,uM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,6OXP,,,,,,,
,,,K2A:A:103,valid,,,,,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)CO,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SH9,,,,,,,
,,,RIT:B:301,valid,Ki,=,932,nM,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,1MTB,,,,,,,
,,,QNC ASN HPH DIQ NTB:A:100,valid,,,,,O=C(NC(C(O)C[NH+]1C(C(=O)NC(C)(C)C)CC2C(C1)CCCC2)Cc1ccccc1)C([N-]C(=O)c1nc2c(cc1)cccc2)CC(=O)N,
,,1FG8,,,,,,,
,,,0Q4:C:401,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,1TSU,,,,,,,
,,,ARG GLN ALA ASN PHE LEU GLY LYS:P:2,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)CC(=O)N)Cc1ccccc1)CC(C)C)C,
,,1C6X,,,,,,,
,,,3IN:B:622,valid,,,,,C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O,
,,1A9M,,,,,,,
,,,U0E:B:100,valid,Ki,=,119,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,3EL4,,,,,,,
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ROC:A:100,valid,Kd,=,67.4,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1D4H,,,,,,,
,,,BEH:B:501,valid,Ki,=,0.1,nM,c1ccc(cc1)CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5,
,,6DV4,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,GA5:B:201,valid,Ki,=,1.6,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)c2ccc3c(c2)[C@@H](CC[C@@H]3O)NC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC,
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,2IEN,,,,,,,
,,,017:B:402,valid,Ki,=,1,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACY:A:602,invalid,,,,,CC(=O)O,
,,,ACY:B:601,invalid,,,,,CC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,6DH2,,,,,,,
,,,A60:A:102,valid,Ki,=,12.8,pM,CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SP5,,,,,,,
,,,BME:A:401,invalid,,,,,C(CS)O,
,,,BME:A:403,invalid,,,,,C(CS)O,
,,,BME:B:402,invalid,,,,,C(CS)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,DMS:A:501,invalid,,,,,CS(=O)C,
,,,TYR ASP GLN ILE LEU:I:59,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CC(=O)[O-])CCC(=O)N)C(CC)C)CC(C)C,
,,5IVT,,,,,,,
,,,6EE:B:101,valid,ic50,=,0.8,nM,c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl,
,,,6EE:A:102,valid,ic50,=,0.8,nM,c1cc(ccc1[C@@H](c2cc(cc(c2)F)F)[C@@H](C(=O)Nc3cncc(c3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCC(F)(F)F)F)N)Cl,
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,2FDD,,,,,,,
,,,385:B:501,valid,ic50,=,4.8,nM,Cc1nc(cs1)COc2ccc(cc2)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c3ccc4c(c3)OCO4)O)NC(=O)O[C@H]5CO[C@@H]6[C@H]5CCO6,
,,1VIJ,,,,,,,
,,,BAY:A:201,valid,ic50,=,0.3,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)CS(=O)(=O)C(C)(C)C)O)O)NC(=O)[C@H](Cc5cccc6c5cccc6)CS(=O)(=O)C(C)(C)C,
,,2BPY,,,,,,,
,,,3IN:B:902,valid,Ki,=,39.8,nM,C[C@H]1CC[C@H]([C@H]1NC(=O)[C@H](Cc2ccccc2)C[C@@H](C[N@@]3CCN(C[C@H]3C(=O)NC(C)(C)C)C(=O)c4cnc(c(n4)Cl)N5CCN(CC5)C)O)O,
,,4HDP,,,,,,,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,G52:B:401,valid,Ki,=,30.9,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,NA:A:101,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,6E7J,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,HWY:A:201,valid,Ki,=,0.33,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC(=O)N3c4ccccc4)O)S(=O)(=O)c5ccc(cc5)OC,
,,6MCR,,,,,,,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,JDY:A:104,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,2AVM,,,,,,,
,,,2NC:B:300,valid,Ki,=,2,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,ACY:B:604,invalid,,,,,CC(=O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,6PU8,,,,,,,
,,,P3V:B:201,valid,,,,,CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)(O)O)S(=O)(=O)c4ccc(cc4)N,
,,3CYX,,,,,,,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,PO4:B:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ROC:A:201,valid,Ki,=,10,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1QBS,,,,,,,
,,,DMP:A:323,valid,Ki,=,0.34,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,1EBK,,,,,,,
,,,0Q4:D:201,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,0Q4:E:501,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,5UOV,,,,,,,
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,8FP:A:201,valid,Ki,=,0.025,nM,Cc1csc(n1)[C@H]2CCCN2C(=O)c3cccc(c3)C(=O)N[C@@H](Cc4ccccc4)[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc(cc5)OC)O,
,,2FNS,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:509,invalid,,,,,CC(=O)[O-],
,,,ARG GLN ALA ASN PHE LEU GLY LYS ILE ASN:P:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NCC=O)CC(C)C)Cc1ccccc1)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)CC(=O)N,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3EKX,,,,,,,
,,,1UN:B:201,valid,Kd,=,0.39,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,5UPZ,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,8HD:A:201,valid,Ki,=,0.63,nM,Cc1coc(n1)CN(C)C(=O)c2cccc(c2)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CN(CC(C)C)S(=O)(=O)c4ccc(cc4)CO)O,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,,2QI6,,,,,,,
,,,MZ8:A:200,valid,Ki,=,0.027,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6OTG,,,,,,,
,,,FMT:A:103,invalid,,,,,C(=O)O,
,,,FMT:A:101,invalid,,,,,C(=O)O,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,FMT:A:102,invalid,,,,,C(=O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,4UY:B:201,valid,Ki,=,31.4,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC,
,,1EBY,,,,,,,
,,,BEB:B:501,valid,Ki,=,0.2,nM,c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O,
,,3BGC,,,,,,,
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2602,invalid,,,,,[Cl-],
,,,LJH:A:2501,valid,Ki,=,9.6,uM,c1ccc(cc1)CN(CCNCCN(Cc2ccccc2)S(=O)(=O)c3ccc(cc3)N)S(=O)(=O)c4ccc(cc4)N,
,,1CPI,,,,,,,
,,,ASN RTY PRO ILE VAL NH2:C:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1[NH+](CC(O)C2NC(=O)C(CC(=O)N)NC(=O)CCCOc3ccc(cc3)C2)CCC1)C(CC)C)C(C)C,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZLF,,,,,,,
,,,0ZR:B:201,valid,Ki,=,1000,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O,
,,1K1U,,,,,,,
,,,0Q4:B:301,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,2I4D,,,,,,,
,,,QFI:B:300,valid,Ki,=,2.1,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccc(cc1)OCP(=O)(O)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,3GI6,,,,,,,
,,,D78:A:200,valid,Ki,=,0.006,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)OC,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3OUB,,,,,,,
,,,GLN VAL ASN PHE LEU GLY LYS:P:3,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCC(=O)N)C(C)C)CC(=O)N)Cc1ccccc1)CC(C)C)CCCC[NH3+],
,,1OHR,,,,,,,
,,,1UN:A:201,valid,Ki,=,2,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,3CYW,,,,,,,
,,,017:A:201,valid,Ki,=,17,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6OXS,,,,,,,
,,,NJ4:A:101,valid,,,,,C[C@H](c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O,
,,2A1E,,,,,,,
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:B:309,invalid,,,,,CC(=O)[O-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:310,invalid,,,,,CS(=O)C,
,,,DMS:B:306,invalid,,,,,CS(=O)C,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,IPF:B:400,valid,,,,,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)C)O)O)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)C,
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,3JVW,,,,,,,
,,,DMP:A:323,valid,,,,,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,1HWR,,,,,,,
,,,216:B:216,valid,Ki,=,4.7,nM,C=CCN1[C@@H]([C@@H]([C@H]([C@H](N(C1=O)CC=C)Cc2ccccc2)O)O)Cc3ccccc3,
,,2BQV,,,,,,,
,,,A1A:A:1100,valid,Ki,=,9,nM,CC(C)[C@@H](C(=O)N[N@](Cc1ccccc1)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC,
,,2AOG,,,,,,,
,,,2NC:A:400,valid,Ki,=,0.53,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,ACY:A:801,invalid,,,,,CC(=O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,UNX:A:101,invalid,,,,,*,
,,1UPJ,,,,,,,
,,,U01:A:201,valid,,,,,CC(C)[C@@H](c1ccc(cc1)Br)C2=C(c3ccccc3OC2=O)O,
,,1DW6,,,,,,,
,,,0Q4:D:401,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,1BWA,,,,,,,
,,,XV6:B:638,valid,Ki,=,2.5,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O,
,,2AQU,,,,,,,
,,,DR7:B:300,valid,Ki,=,0.48,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,3EKQ,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ROC:A:100,valid,Kd,=,176,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,2QHY,,,,,,,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,MZ1:A:200,valid,Ki,=,33,nM,C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](Cc2cccs2)S(=O)(=O)c3cc(c(cc3F)F)F)O)NC(=O)C,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ZPA,,,,,,,
,,,A83:A:200,valid,Ki,=,4,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)CNC(=O)c3ccc(cc3)CNC(=O)OC(C)(C)C)O)S(=O)(=O)c4ccc(cc4)OC,
,,1SDT,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:500,invalid,,,,,[Cl-],
,,,MK1:B:902,valid,Ki,=,540,pM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,2QD6,,,,,,,
,,,065:B:404,valid,Ki,=,2.1,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,ACT:B:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,3NWX,,,,,,,
,,,KVS:B:100,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1G2K,,,,,,,
,,,NM1:B:501,valid,Ki,=,11,nM,CNC(=O)c1cccc(c1)C[N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5,
,,6VOD,,,,,,,
,,,FMT:B:203,invalid,,,,,C(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,T1R:B:201,valid,ic50,=,38,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@@H]3C[C@@H]2O4)O)S(=O)(=O)c5ccc(cc5)OC,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,6PJI,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OO4:A:101,valid,Ki,=,0.571,nM,COC(=O)N[C@@H](C1CC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,4DJP,,,,,,,
,,,M73:A:200,valid,Ki,=,0.028,nM,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@H](C)C(=O)OC)O)S(=O)(=O)c2ccc(cc2)OC,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2PQZ,,,,,,,
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2603,invalid,,,,,[Cl-],
,,,G0G:A:2501,valid,Ki,=,2.15,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4)S(=O)(=O)c5ccccc5,
,,2CEN,,,,,,,
,,,4AH:B:1200,valid,Ki,=,5,nM,CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2cccnc2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC,
,,2J9K,,,,,,,
,,,2NC:A:0,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1109,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1110,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PWR,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,,CL:B:703,invalid,,,,,[Cl-],
,,,G4G:B:501,valid,Ki,=,0.26,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,2NPH,,,,,,,
,,,ALA GLU THR PHE:S:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])C(O)C)Cc1ccccc1,
,,,TYR VAL ASP GLY ALA:T:5,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C(C)C)CC(=O)[O-])C,
,,1HVH,,,,,,,
,,,Q82:B:265,valid,Ki,=,11,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=NC#N)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,1ZJ7,,,,,,,
,,,0ZT:A:201,valid,Ki,=,86,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O,
,,1SDV,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:500,invalid,,,,,[Cl-],
,,,MK1:B:902,valid,Ki,=,1810,pM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,3EL0,,,,,,,
,,,1UN:A:201,valid,Kd,=,34.1,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HAU,,,,,,,
,,,2NC:A:0,valid,Kd,=,0.42,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ST5,,,,,,,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,G89:B:201,valid,Ki,=,5,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@@H]3O)O)S(=O)(=O)c4ccc(cc4)OC,
,,5KQZ,,,,,,,
,,,0Q4:B:101,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,2QI7,,,,,,,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,MZ9:B:200,valid,Ki,=,0.062,nM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)CCC(=O)CC)O)S(=O)(=O)c2ccc(cc2)OC,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HPX,,,,,,,
,,,KNI:B:900,valid,Ki,=,5.5,pM,CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O,
,,3BVB,,,,,,,
,,,017:B:401,valid,Ka,=,3170000,M^-1,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,5KR0,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,478:A:101,valid,Ki,=,0.71,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,1W5W,,,,,,,
,,,BE4:A:1100,valid,Ki,=,1.6,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccc(cc5F)F)O)O)OCc6ccc(cc6F)F)O,
,,2NXL,,,,,,,
,,,GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA:P:2,valid,Kd,=,0.54,uM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCC(=O)[O-])C(C)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C)CC(=O)[O-])C,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4TVH,,,,,,,
,,,K97:B:102,valid,,,,,c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3,
,,,BME:B:101,invalid,,,,,C(CS)O,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,1K6T,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,XN1:B:509,valid,Kd,=,24,nM,C[C@H](c1ccccc1)[C@H](C[C@@H](C[N@@]2CC[N@](C[C@H]2C(=O)NC(C)(C)C)Cc3cccnc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O,
,,6OXV,,,,,,,
,,,NF4:A:101,valid,,,,,CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O,
,,2R43,,,,,,,
,,,CL:A:2701,invalid,,,,,[Cl-],
,,,CL:B:2702,invalid,,,,,[Cl-],
,,,CL:B:2703,invalid,,,,,[Cl-],
,,,G3G:B:2501,valid,Ki,=,1,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N,
,,,GOL:A:2601,invalid,,,,,C(C(CO)O)O,
,,6OOS,,,,,,,
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:C:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:A:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,7HVP,,,,,,,
,,,ACE SER LEU ASN JG3 ILE VME:C:0,valid,Ki,=,0.24,nM,O=C(OC)C(NC(=O)C(NC(=O)C1[NH+](CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)CC(C)C)CC(=O)N)Cc2ccccc2)CCC1)C(CC)C)C(C)C,
,,2R5P,,,,,,,
,,,CL:A:420,invalid,,,,,[Cl-],
,,,CL:B:421,invalid,,,,,[Cl-],
,,,CL:C:422,invalid,,,,,[Cl-],
,,,CL:D:423,invalid,,,,,[Cl-],
,,,MK1:B:902,valid,Ki,=,3.3,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,MK1:D:902,valid,Ki,=,3.3,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,NA:B:552,Part of Protein,,,,,[Na+],
,,6OY1,,,,,,,
,,,NJ1:A:103,valid,,,,,CCC(CC)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LZQ,,,,,,,
,,,0ZQ:A:201,valid,Ki,=,4.1,nM,CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3,
,,,BME:A:387,invalid,,,,,C(CS)O,
,,1A94,,,,,,,
,,,0Q4:A:100,valid,Ki,=,14,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,0Q4:E:100,valid,Ki,=,14,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,1HVK,,,,,,,
,,,A79:A:800,valid,Ki,=,77,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,6DH1,,,,,,,
,,,K13:A:102,valid,Ki,=,26.1,pM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R38,,,,,,,
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2602,invalid,,,,,[Cl-],
,,,G4G:B:2501,valid,Ki,=,0.036,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N,
,,3BXS,,,,,,,
,,,DRS:A:201,valid,Ki,=,8,uM,CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O,
,,,DRS:B:203,valid,Ki,=,8,uM,CC(C)[C@H]1C(=O)N[C@@H](Cc2ccc(cc2)OCCCCC(=O)N1)C(=O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QD7,,,,,,,
,,,065:B:404,valid,Ki,=,0.8,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,DMS:A:901,invalid,,,,,CS(=O)C,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6B3C,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CKS:B:101,valid,,,,,C[C@@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5,
,,3DK1,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,G05:B:401,valid,Ki,=,0.18,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,2BB9,,,,,,,
,,,AKC:A:401,valid,ic50,=,0.44,nM,CCOCCOC(=O)N[C@@H](Cc1ccccc1)[C@H](C[C@]2(C(=O)C(=CN2)[C@H]3c4ccccc4[C@@H]5[C@H]3OC(=O)N5)Cc6ccccc6)O,
,,1HEG,,,,,,,
,,,PSI:E:201,valid,Ki,=,18,nM,C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N,
,,6OPT,,,,,,,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,4FL8,,,,,,,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GLN ILE IL0 ILE GLU ILE ALA:C:261,valid,,,,,O=C(NC(C(O)(O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(CC)C)CCC(=O)[O-])C(CC)C)C(CC)C)C(NC(=O)C([NH3+])C)C(CC)C,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,TYR ASP GLN ILE IL0 ILE GLU:D:359,valid,,,,,O=C(NC(C(O)(O)NC(C(=O)NC(C=O)CCC(=O)[O-])C(CC)C)C(CC)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)[O-])CCC(=O)N)C(CC)C,
,,4Q1Y,,,,,,,
,,,PO4:A:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,017:A:106,valid,Ki,=,45,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:B:101,invalid,,,,,CC(=O)[O-],
,,,ACT:A:104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:105,invalid,,,,,CC(=O)[O-],
,,2FGV,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QNC ASN HPH DIQ NTB:A:508,valid,Kd,=,760,nM,O=C(NC(C(O)C[NH+]1C(C(=O)NC(C)(C)C)CC2C(C1)CCCC2)Cc1ccccc1)C([N-]C(=O)c1nc2c(cc1)cccc2)CC(=O)N,
,,1EC0,,,,,,,
,,,BED:A:501,valid,Ki,=,3.2,nM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O,
,,1K6C,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,MK1:B:902,valid,Kd,=,33,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,1MSN,,,,,,,
,,,JE2:B:1001,valid,Kd,<,1,nM,Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C,
,,6DGZ,,,,,,,
,,,A60:A:102,valid,Ki,<,5,pM,CCC(CC)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PSV,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,MUV:A:200,valid,Ki,=,58,nM,CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3ccco3)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1DMP,,,,,,,
,,,DMQ:B:450,valid,Ki,=,0.28,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)N)Cc4cccc(c4)N)Cc5ccccc5)O)O,
,,2QNP,,,,,,,
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2603,invalid,,,,,[Cl-],
,,,QN2:A:2501,valid,Ki,=,0.39,uM,c1ccc(cc1)S(=O)(=O)N(Cc2ccc(cc2)I)[C@H]3CNC[C@@H]3N(Cc4ccc(cc4)I)S(=O)(=O)c5ccccc5,
,,3S53,,,,,,,
,,,017:A:201,valid,Ki,=,0.23,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:203,valid,Ki,=,0.23,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,IOD:A:902,invalid,,,,,[I-],
,,,IOD:A:903,invalid,,,,,[I-],
,,,IOD:A:904,invalid,,,,,[I-],
,,,IOD:A:905,invalid,,,,,[I-],
,,,IOD:A:906,invalid,,,,,[I-],
,,,IOD:A:910,invalid,,,,,[I-],
,,,IOD:B:901,invalid,,,,,[I-],
,,,IOD:B:907,invalid,,,,,[I-],
,,,IOD:B:908,invalid,,,,,[I-],
,,,IOD:B:909,invalid,,,,,[I-],
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HXB,,,,,,,
,,,ROC:A:100,valid,Ki,=,0.12,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1HSG,,,,,,,
,,,MK1:B:902,valid,Ki,=,0.38,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,1IIQ,,,,,,,
,,,0ZR:A:201,valid,Ki,=,33,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,2AZ8,,,,,,,
,,,3TL:A:200,valid,ic50,=,6,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,4QJ7,,,,,,,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG PRO GLY ASN PHE LEU GLN SER SER PRO:G:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE LEU GLN SER SER PRO:F:2,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TYR,,,,,,,
,,,7O7:A:400,valid,ic50,=,0.26,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,2QI1,,,,,,,
,,,MZ4:A:200,valid,Ki,=,50,nM,COc1cccc(c1)S(=O)(=O)[N@@](Cc2cccs2)C[C@H]([C@H](Cc3ccccc3)NC(=O)c4ccc(c(c4)O)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RL8,,,,,,,
,,,RIT:A:9001,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,2AVO,,,,,,,
,,,ACY:B:601,invalid,,,,,CC(=O)O,
,,,ACY:B:604,invalid,,,,,CC(=O)O,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,MK1:B:902,valid,Ki,=,1.4,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B4N,,,,,,,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,G53:A:201,valid,Ki,=,27.9,pM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)c5nc(co5)C(=O)OC,
,,,NA:B:101,invalid,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,3NU6,,,,,,,
,,,478:B:401,valid,Ki,=,0.5,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:500,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,6PJO,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OQ7:A:101,valid,Ki,=,0.161,nM,COC(=O)N[C@@H](C1CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,3DCR,,,,,,,
,,,KVS:B:101,valid,ic50,=,6.3,nM,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O,
,,1YTG,,,,,,,
,,,PRO ILE VAL NH2:I:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(CC)C)C(C)C,
,,4FE6,,,,,,,
,,,0TQ:A:200,valid,Ki,<,0.1,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)/C(=C(C)/NC)/C(=O)N5,
,,5BRY,,,,,,,
,,,4UY:B:201,valid,Ki,=,0.0015,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)NC)O)S(=O)(=O)c4ccc(cc4)OC,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,4DJQ,,,,,,,
,,,M86:A:200,valid,Ki,=,0.048,nM,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OCCN2CCNC2=O)O)S(=O)(=O)c3ccc(cc3)OC,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HXW,,,,,,,
,,,RIT:B:301,valid,Ki,=,15,pM,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,4HDB,,,,,,,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,G52:A:401,valid,Ki,=,8.9,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,1T7I,,,,,,,
,,,017:A:200,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KJG,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,GLY ALA GLU THR PHE TYR VAL ASP GLY ALA:P:2,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCC(=O)[O-])C(O)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C)CC(=O)[O-])C,
,,4OBG,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,EDO:C:105,invalid,,,,,C(CO)O,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:A:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:104,invalid,,,,,C(CO)O,
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:E:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:F:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,1AAQ,,,,,,,
,,,PSI:B:100,valid,Ki,=,3,nM,C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N,
,,3NU9,,,,,,,
,,,478:A:401,valid,Ki,=,0.9,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:523,invalid,,,,,[I-],
,,,IOD:A:524,invalid,,,,,[I-],
,,,IOD:A:526,invalid,,,,,[I-],
,,,IOD:A:528,invalid,,,,,[I-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:532,invalid,,,,,[I-],
,,,IOD:A:533,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:506,invalid,,,,,[I-],
,,,IOD:B:508,invalid,,,,,[I-],
,,,IOD:B:513,invalid,,,,,[I-],
,,,IOD:B:515,invalid,,,,,[I-],
,,,IOD:B:516,invalid,,,,,[I-],
,,,IOD:B:519,invalid,,,,,[I-],
,,,IOD:B:525,invalid,,,,,[I-],
,,,IOD:B:527,invalid,,,,,[I-],
,,,IOD:B:530,invalid,,,,,[I-],
,,,IOD:B:531,invalid,,,,,[I-],
,,2QNQ,,,,,,,
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2603,invalid,,,,,[Cl-],
,,,QN3:A:2501,valid,Ki,=,0.77,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccccc4Cl)S(=O)(=O)c5ccccc5Cl,
,,5DGU,,,,,,,
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,5B7:A:201,valid,Ki,=,0.0045,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC,
,,4A6C,,,,,,,
,,,QG9:B:1200,valid,Ki,=,4.2,nM,CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccncc6)NC(=O)OC,
,,5KQY,,,,,,,
,,,017:B:101,valid,Ki,=,0.51,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,1MRX,,,,,,,
,,,K57:B:1001,valid,Kd,=,55,nM,Cc1c(cccc1O)C(=O)N[C@@H](Cc2ccccc2)C(C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O,
,,2UY0,,,,,,,
,,,HV1:B:1200,valid,Ki,=,120,nM,CC(C)(C)[C@@H](C(=O)NN(Cc1ccc(cc1)Br)C(=O)CC[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC,
,,2QD8,,,,,,,
,,,065:B:404,valid,Ki,=,0.85,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,ACT:B:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,1HVJ,,,,,,,
,,,A78:A:800,valid,Ki,=,4,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3cccc[nH+]3)O)NC(=O)N(C)Cc4cccc[nH+]4,
,,3EKY,,,,,,,
,,,DR7:A:100,valid,Kd,=,0.23,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1T7J,,,,,,,
,,,478:A:200,valid,Kd,=,0.000000064,M,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,ACT:A:201,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,6B3G,,,,,,,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CKY:B:102,valid,,,,,C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,,CKY:B:101,valid,,,,,C[C@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,1MES,,,,,,,
,,,DMP:B:323,valid,Ki,=,20,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,6DIF,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,TPV:B:201,valid,Ki,=,0.019,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,3KDC,,,,,,,
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,CL:B:100,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,JZP:A:100,valid,Kd,=,0.52,nM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3Cl)Cl)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,3NUJ,,,,,,,
,,,478:B:401,valid,Ki,=,0.41,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:B:500,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:509,invalid,,,,,[I-],
,,,IOD:B:510,invalid,,,,,[I-],
,,,IOD:B:512,invalid,,,,,[I-],
,,,IOD:B:514,invalid,,,,,[I-],
,,,IOD:B:515,invalid,,,,,[I-],
,,,IOD:B:516,invalid,,,,,[I-],
,,,IOD:B:518,invalid,,,,,[I-],
,,6D0E,,,,,,,
,,,FQ1:B:500,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,2FLE,,,,,,,
,,,AI:B:845,valid,Ki,=,14,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,3HAW,,,,,,,
,,,2NC:B:0,valid,Kd,=,1.01,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EKV,,,,,,,
,,,478:A:200,valid,Kd,=,0.39,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,4QJ6,,,,,,,
,,,ARG PRO GLY ASN PHE PHE GLN SER ARG PRO:E:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE PHE GLN SER ARG PRO:F:2,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CO,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QI4,,,,,,,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,MZ6:A:200,valid,Ki,=,0.036,nM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)c2cccc(c2)O)O)S(=O)(=O)c3ccc4c(c3)scn4,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6OXU,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NE7:A:101,valid,,,,,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O,
,,5YOK,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,8Z0:A:101,valid,,,,,Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C,
,,6B38,,,,,,,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CKM:B:101,valid,,,,,C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,,CKM:B:102,valid,,,,,C[C@@H]1CNC[C@@H](N1S(=O)(=O)c2ccccc2)CCc3c(cccc3F)NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F,
,,3GI4,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,K60:A:200,valid,Ki,=,0.016,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(F)(F)F)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4OBF,,,,,,,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,EDO:A:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,EDO:C:104,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,EDO:C:103,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:C:102,invalid,,,,,C(CO)O,
,,,ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)CCC(=O)N)CC(C)C)Cc1ccccc1)C(NC(=O)CN)CC(=O)N,
,,,ARG PRO GLY ASN PHE LEU GLN ASN ARG PRO:F:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)CCC(=O)N)CC(C)C)Cc1ccccc1)C(NC(=O)CN)CC(=O)N,
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:105,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:A:106,invalid,,,,,CC(=O)[O-],
,,1GNN,,,,,,,
,,,U0E:A:100,valid,Ki,=,2100,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,,U0E:A:101,valid,Ki,=,2100,nM,CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)NC(=O)C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N,
,,2WKZ,,,,,,,
,,,5AH:B:1200,valid,Ki,=,1.7,nM,CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC,
,,5YOJ,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,8Z0:A:301,valid,,,,,Cc1cccc(c1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H]([C@H]4CCOC4)NC(=O)c5cc6cccc(c6o5)OC)O)(C)C)C,
,,6VOE,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,T2R:B:201,valid,ic50,=,0.3,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3C[C@H]2O4)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C,
,,1ZSR,,,,,,,
,,,0ZT:A:201,valid,Ki,=,0.15,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O,
,,6DH7,,,,,,,
,,,K13:A:103,valid,Ki,=,131.3,pM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BC4,,,,,,,
,,,DMS:A:2601,invalid,,,,,CS(=O)C,
,,,LLG:A:2501,valid,Ki,=,4.5,uM,c1ccc2c(c1)cccc2CC(=O)OCCN,
,,,LLG:A:2502,valid,Ki,=,4.5,uM,c1ccc2c(c1)cccc2CC(=O)OCCN,
,,2AOC,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,UNX 2NC:A:401,valid,Ki,=,13,uM,O=C(NC(C(=O)NC(C[NH2+]C(C(=O)NC(C(=O)NC(C(=O)N)CCC[NH+]=C(N)N)CCC(=O)N)CCCC)CCCC)C(CC)C)C(NC(=O)C)C(O)C.[#0],
,,2ZGA,,,,,,,
,,,YDP:A:2501,valid,Ki,=,0.48,uM,CC(=CCN([C@H]1CNC[C@@H]1N(CC=C(C)C)S(=O)(=O)c2ccc(cc2)C(=O)N)S(=O)(=O)c3ccc(cc3)C(=O)N)C,
,,3BGB,,,,,,,
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,CL:B:2602,invalid,,,,,[Cl-],
,,,LJG:B:2501,valid,Ki,=,0.9,uM,CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(cc1)N)S(=O)(=O)c2ccc(cc2)N,
,,2PK6,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,O33:B:301,valid,Kd,=,13,pM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C,
,,4A6B,,,,,,,
,,,QG8:B:1200,valid,Ki,=,12,nM,CC(C)(C)[C@@H](C(=O)NN(CCC[C@@]1([C@@H](CN(C1=O)[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccccc4)Cc5ccc(cc5)c6ccccc6)NC(=O)OC,
,,4DJR,,,,,,,
,,,0KJ:A:101,valid,Ki,=,0.003,nM,CC[C@H](C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC[C@@H]2CCC(=O)N2)O)S(=O)(=O)c3ccc4c(c3)scn4,
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5KQX,,,,,,,
,,,ROC:A:101,valid,Ki,=,3.6,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1A8G,,,,,,,
,,,2Z4:A:100,valid,Ki,=,7.4,nM,CC(C)[C@@H](C(=O)NCc1ccc(cc1O)OC)NC(=O)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OCc3ccccc3)O)NCc4ccc(cc4)OC,
,,1HIH,,,,,,,
,,,BME:A:100,invalid,,,,,C(CS)O,
,,,BME:B:100,invalid,,,,,C(CS)O,
,,,C20:B:101,valid,Ki,=,9,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C,
,,1KZK,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,CL:B:903,invalid,,,,,[Cl-],
,,,CL:B:904,invalid,,,,,[Cl-],
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,JE2:A:701,valid,Ki,=,41,pM,Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C,
,,4Q1X,,,,,,,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,017:A:101,valid,Ki,=,7,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6BRA,,,,,,,
,,,CL:A:102,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,SER GLY ILE PHE LEU GLU THR SER:S:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)Cc1ccccc1)CC(C)C)CCC(=O)[O-])C(O)C)CO.O=C(NCC=O)C([NH3+])CO,
,,2P3A,,,,,,,
,,,3TL:A:201,valid,Ki,=,11,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,3OU3,,,,,,,
,,,LEU ASN PHE PRO ILE SER PRO:C:303,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CO)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(=O)N)Cc2ccccc2)CCC1)C(CC)C,
,,2Q55,,,,,,,
,,,MU0:B:200,valid,Ki,=,2.04,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4ccccc4)O)N5CCCNC5=O,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HTG,,,,,,,
,,,G37:A:300,valid,ic50,=,3.8,nM,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C,
,,,G37:A:600,valid,ic50,=,3.8,nM,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)NCc2ccccc2)NC(=O)Cc3ccccc3)C(=O)N[C@H](Cc4ccccc4)[C@@H](CC(=O)NCc5[nH]c6ccccc6n5)O)C,
,,2PYN,,,,,,,
,,,1UN:A:1001,valid,Kd,=,27,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,2NNK,,,,,,,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,ROC:A:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1HPV,,,,,,,
,,,478:B:200,valid,Ki,=,0.6,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,1D4J,,,,,,,
,,,MSC:B:501,valid,Ki,=,4.4,nM,c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)NCc5c(cccc5Cl)F,
,,4DQB,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,DMS:B:104,invalid,,,,,CS(=O)C,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1A8K,,,,,,,
,,,0Q4:A:100,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,0Q4:E:100,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,3NYG,,,,,,,
,,,2NC:A:100,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3D20,,,,,,,
,,,017:A:201,valid,Ki,=,5,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:B:902,invalid,,,,,[Cl-],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,1FEJ,,,,,,,
,,,2NC:D:400,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,6OPS,,,,,,,
,,,017:A:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,6PJB,,,,,,,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AB1:A:105,valid,,,,,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,1C6Z,,,,,,,
,,,ROC:B:505,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,5TYS,,,,,,,
,,,7OA:A:400,valid,ic50,=,0.019,nM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,2F81,,,,,,,
,,,017:A:302,valid,Ki,=,0.03,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,1KJ7,,,,,,,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,PRO ALA THR ILE MET MET GLN ARG GLY ASN:P:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(O)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CCCNC(=[NH2+])N)CCC(=O)N)CCSC)C,
,,3KF0,,,,,,,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,4DX:A:201,valid,,,,,C[C@H]1CCCC[C@@H]1O,
,,,BME:B:300,invalid,,,,,C(CS)O,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,K:A:307,Part of Protein,,,,,[K+],
,,,K:B:306,Part of Protein,,,,,[K+],
,,6DH4,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K13:A:104,valid,Ki,<,5,pM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,3EL9,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,DR7:A:100,valid,Kd,=,4,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1K2B,,,,,,,
,,,0Q4:A:401,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,1ZP8,,,,,,,
,,,AB2:A:200,valid,Ki,=,1.7,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)n2cc(nn2)COC(=O)N[C@@H]3c4ccccc4C[C@H]3O)O)S(=O)(=O)c5ccc(cc5)OC,
,,6DJ1,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,AB1:B:201,valid,Ki,=,0.031,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,3JW2,,,,,,,
,,,017:A:401,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2O4K,,,,,,,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,DR7:A:301,valid,Kd,=,35,pM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,1HPO,,,,,,,
,,,UNI:B:100,valid,Ki,=,0.6,nM,c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H](C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O,
,,3LZV,,,,,,,
,,,017:A:200,valid,Kd,=,0.026,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:105,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,PO4:A:100,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:100,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6DH3,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:101,valid,Ki,<,5,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,3H5B,,,,,,,
,,,031:B:404,valid,Ki,=,0.099,nM,COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,1AID,,,,,,,
,,,CL:B:203,invalid,,,,,[Cl-],
,,,THK:B:201,valid,Ki,=,15,uM,c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F,
,,1EC3,,,,,,,
,,,MS3:A:501,valid,Ki,=,0.92,nM,CC(C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NCc2ccccn2)OCc3ccccc3)O)O)OCc4ccccc4,
,,3EKP,,,,,,,
,,,478:B:200,valid,Kd,=,1.3,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,478:C:200,valid,Kd,=,1.3,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:B:604,invalid,,,,,CC(=O)[O-],
,,,ACT:B:605,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:C:603,invalid,,,,,CC(=O)[O-],
,,,ACT:C:604,invalid,,,,,CC(=O)[O-],
,,,ACT:C:605,invalid,,,,,CC(=O)[O-],
,,,ACT:D:602,invalid,,,,,CC(=O)[O-],
,,,ACT:D:606,invalid,,,,,CC(=O)[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4EJ8,,,,,,,
,,,DMS:A:101,invalid,,,,,CS(=O)C,
,,,DMS:B:102,invalid,,,,,CS(=O)C,
,,,DMS:B:101,invalid,,,,,CS(=O)C,
,,,DMS:A:102,invalid,,,,,CS(=O)C,
,,,DMS:A:103,invalid,,,,,CS(=O)C,
,,,1F1:A:106,valid,Kd,=,4.1,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:105,invalid,,,,,C(CO)O,
,,,EDO:A:104,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,3I7E,,,,,,,
,,,DJR:A:100,valid,Ki,=,14,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,2O4S,,,,,,,
,,,AB1:A:400,valid,Kd,=,31,pM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,4EJD,,,,,,,
,,,BME:B:102,invalid,,,,,C(CS)O,
,,,BME:A:101,invalid,,,,,C(CS)O,
,,,BME:B:103,invalid,,,,,C(CS)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,IVA VAL VAL STA ALA STA:C:1,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,1F1:A:102,valid,Kd,=,14.5,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,2Q54,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,MU1:B:200,valid,Ki,=,0.98,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@@H]3CN(C(=O)O3)c4cccc(c4)C(=O)C)O)NC(=O)C,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3KDD,,,,,,,
,,,GOL:B:100,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,JZQ:A:100,valid,Kd,=,3.45,nM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)COc3c(cccc3F)F)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,2F80,,,,,,,
,,,017:B:301,valid,Ki,=,6.6,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TCX,,,,,,,
,,,IM1:A:400,valid,Ki,=,112,nM,CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,5IVS,,,,,,,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,6EF:B:101,valid,ic50,=,6.1,nM,COC(=O)N[C@@H](C(c1ccccc1)c2ccccc2)C(=O)Nc3ccccc3CC[C@@H]4CN[C@@H](CO4)COC(=O)NCc5ccccc5,
,,4QJ2,,,,,,,
,,,PO4:D:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:G:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:F:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,8HVP,,,,,,,
,,,VAL SER GLN ASN LOV ILE VAL:I:1,valid,Ki,<,1,nM,O=C([O-])C(NC(=O)C(NC(=O)C(C(C)C)CC(O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CO)CCC(=O)N)CC(=O)N)CC(C)C)C(CC)C)C(C)C,
,,3TL9,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,PHE:B:99,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ROC:A:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,3TLH,,,,,,,
,,,3TL:A:201,valid,Ki,=,1.5,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,2QNN,,,,,,,
,,,CL:B:2701,invalid,,,,,[Cl-],
,,,CL:B:2702,invalid,,,,,[Cl-],
,,,GOL:A:2602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2601,invalid,,,,,C(C(CO)O)O,
,,,QN1:B:2501,valid,Ki,=,0.07,uM,c1cc(ccc1CN([C@H]2CNC[C@@H]2N(Cc3ccc(cc3)C(F)(F)F)S(=O)(=O)c4ccc(cc4)C(=O)N)S(=O)(=O)c5ccc(cc5)C(=O)N)C(F)(F)F,
,,3KFS,,,,,,,
,,,2FX:B:201,valid,,,,,c1ccc2c(c1)cc(s2)CC(=O)O,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,BME:A:401,invalid,,,,,C(CS)O,
,,,BME:B:402,invalid,,,,,C(CS)O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,,6OYD,,,,,,,
,,,NKA:A:101,valid,ic50,=,0.12,nM,CC(C)CN(C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C,
,,6CDL,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,GR5:B:201,valid,Ki,=,0.012,nM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,1M0B,,,,,,,
,,,0ZQ:B:201,valid,Ki,=,1.53,nM,CC(C)(C)OC(=O)N[C@H](CCN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N)Cc3ccccc3,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,6OYR,,,,,,,
,,,NJY:A:101,valid,ic50,=,0.29,nM,CC(C)CN(C[C@H]([C@H](Cc1cccc(c1)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)oc(n6)NC(C)C,
,,2Q63,,,,,,,
,,,1UN:A:1001,valid,Kd,=,66,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,4QGI,,,,,,,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,ROC:A:101,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1D4Y,,,,,,,
,,,TPV:A:501,valid,Ki,=,0.008,nM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,6C8Y,,,,,,,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,BVR:A:102,valid,,,,,B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O,
,,5KAO,,,,,,,
,,,G43:A:500,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccc(c(c1)Cl)OC)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)OC,
,,1SGU,,,,,,,
,,,MK1:B:2632,valid,Ki,=,4235,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,1A30,,,,,,,
,,,GLU ASP LEU:C:506,valid,Ki,=,50,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)[O-])CC(C)C,
,,2QI3,,,,,,,
,,,MZ5:B:200,valid,Ki,=,0.063,nM,CC[C@H](C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)O)O)S(=O)(=O)c2ccc3c(c2)scn3,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4EYR,,,,,,,
,,,RIT:B:301,valid,ic50,=,237,nM,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,3D1Y,,,,,,,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:B:803,invalid,,,,,[Cl-],
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,ROC:A:201,valid,Ki,=,6,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,6OOU,,,,,,,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,2PYM,,,,,,,
,,,1UN:A:1001,valid,Kd,=,150,nM,Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](C[N@@]3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O,
,,4U8W,,,,,,,
,,,G10:A:201,valid,Ki,=,0.0058,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:B:101,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,ACT:B:103,invalid,,,,,CC(=O)[O-],
,,,ACT:B:104,invalid,,,,,CC(=O)[O-],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,2A4F,,,,,,,
,,,AAU:B:1000,valid,,,,,COc1cc(ccc1O)CN2[C@@H]([C@@H](CN(N(C2=O)Cc3ccc(c(c3)OC)O)C(=O)CCc4ccc(cc4)O)O)Cc5ccccc5,
,,3B80,,,,,,,
,,,ASN LEU LNT GLN ILE:C:201,valid,,,,,O=C(NC(C=O)CCC(=O)N)C([NH2+]C(O)(O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:B:903,invalid,,,,,[Cl-],
,,,CL:B:904,invalid,,,,,[Cl-],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,6PJM,,,,,,,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OQV:B:101,valid,Ki,=,0.013,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC,
,,4DQE,,,,,,,
,,,017:B:101,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:B:102,invalid,,,,,CC(=O)[O-],
,,5KR1,,,,,,,
,,,017:B:101,valid,Ki,=,0.32,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,2I4W,,,,,,,
,,,KGQ:B:300,valid,Ki,=,2.6,pM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,5WLO,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GR7:B:201,valid,Ki,=,0.015,nM,COc1ccc2c(c1)COC/C=C/CCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,3OUA,,,,,,,
,,,GLY ASN PHE LEU GLN SER ARG:P:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO)CCCNC(=[NH2+])N,
,,2R3W,,,,,,,
,,,CL:B:2601,invalid,,,,,[Cl-],
,,,G3G:A:2501,valid,Ki,=,0.128,uM,c1ccc(cc1)CN([C@H]2CNC[C@@H]2N(Cc3ccccc3)S(=O)(=O)c4ccc(cc4)N)S(=O)(=O)c5ccc(cc5)N,
,,3TKG,,,,,,,
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:D:101,invalid,,,,,[Cl-],
,,,CL:C:902,invalid,,,,,[Cl-],
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,PHE:A:99,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:99,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ROC:B:801,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,ROC:C:901,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,3GI5,,,,,,,
,,,K62:A:200,valid,Ki,=,0.006,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3cccc(c3)C(=O)C)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6OXY,,,,,,,
,,,NG4:A:103,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](CO)O,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BWB,,,,,,,
,,,146:B:641,valid,Ki,=,3.8,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4[nH]c5ccccc5n4)Cc6cccc(c6)C(=O)Nc7[nH]c8ccccc8n7)Cc9ccccc9)O)O,
,,4K4Q,,,,,,,
,,,NO3:A:106,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:107,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:101,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:101,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:102,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:105,invalid,,,,,[N+](=O)([O-])[O-],
,,,06B:B:104,valid,,,,,COc1ccc(c(c1C(=O)O)OC)Br,
,,,06B:B:103,valid,,,,,COc1ccc(c(c1C(=O)O)OC)Br,
,,,06B:B:102,valid,,,,,COc1ccc(c(c1C(=O)O)OC)Br,
,,,DMS:A:104,invalid,,,,,CS(=O)C,
,,,DMS:B:105,invalid,,,,,CS(=O)C,
,,,3TL:A:108,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,BME:A:103,invalid,,,,,C(CS)O,
,,1WBK,,,,,,,
,,,568:B:1100,valid,,,,,c1ccc(cc1)CO[C@H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc4ccccc4)O)O)C(=O)N[C@H]5C[C@H](OC5)CO,
,,3EKT,,,,,,,
,,,017:B:200,valid,Kd,=,0.026,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:D:200,valid,Kd,=,0.026,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,ACT:B:607,invalid,,,,,CC(=O)[O-],
,,,ACT:C:603,invalid,,,,,CC(=O)[O-],
,,,ACT:C:604,invalid,,,,,CC(=O)[O-],
,,,ACT:D:601,invalid,,,,,CC(=O)[O-],
,,,ACT:D:602,invalid,,,,,CC(=O)[O-],
,,,ACT:D:605,invalid,,,,,CC(=O)[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1C6Y,,,,,,,
,,,MK1:B:524,valid,Ki,=,0.31,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,2O4L,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,TPV:A:403,valid,Kd,=,608,pM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,3OXC,,,,,,,
,,,FMT:A:801,invalid,,,,,C(=O)O,
,,,FMT:B:802,invalid,,,,,C(=O)O,
,,,ROC:A:401,valid,Ki,=,3.9,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BVA,,,,,,,
,,,2NC:B:200,valid,Ka,=,3300000,M^-1,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,1MSM,,,,,,,
,,,JE2:B:1001,valid,Kd,=,33,pM,Cc1ccccc1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](Cc3ccccc3)NC(=O)c4cccc(c4C)O)O)(C)C,
,,2AZB,,,,,,,
,,,3TL:A:200,valid,ic50,=,64,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,4I8W,,,,,,,
,,,G07:B:300,valid,Ki,=,12.7,pM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)C(=O)O,
,,2CEM,,,,,,,
,,,2AH:B:1200,valid,Ki,=,12,nM,CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)c2ccccn2)C[C@@](Cc3ccccc3)(C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)NC(=O)OC,
,,6PJC,,,,,,,
,,,OR1:A:101,valid,Ki,=,0.017,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C,
,,,OR1:C:101,valid,Ki,=,0.017,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O)C,
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CPX,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,J3W:A:1101,valid,,,,,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccs4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,4GYE,,,,,,,
,,,ILO VAL PUK GLU ALA NLE:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH2+]CC(NC(=O)C(NC(=O)C([NH3+])CCCN=C(N)C)C(C)C)Cc1ccccc1)Cc1ccccc1)CCC(=O)[O-])C)CCCC,
,,1B6M,,,,,,,
,,,PI6:B:201,valid,Ki,=,4,nM,CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ULT,,,,,,,
,,,8FM:B:201,valid,Ki,=,0.014,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,2WL0,,,,,,,
,,,5AH:A:1100,valid,Ki,=,16,nM,CC(C)(C)[C@@H](C(=O)N[N@](CC[C@@](Cc1ccccc1)(C(=O)N[C@H]2c3ccccc3C[C@H]2O)O)Cc4ccc(cc4)c5ccccn5)NC(=O)OC,
,,1HEF,,,,,,,
,,,ALA ALA PJJ VAL VME:I:201,valid,Ki,=,1,nM,,
,,4TVG,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,IVA VAL VAL STA ALA STA:C:1,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,K97:A:101,valid,,,,,c1cc2c(cc1C(=O)O)[nH]cc2CN3CCOCC3,
,,1F7A,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,LYS ALA ARG VAL LEU ALA GLU ALA MET SER:P:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C)CCC(=O)[O-])C)C=O)C,
,,3LZU,,,,,,,
,,,017:A:200,valid,Kd,=,0.087,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:A:100,invalid,,,,,CC(=O)[O-],
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:100,invalid,,,,,CC(=O)[O-],
,,,ACT:B:500,invalid,,,,,CC(=O)[O-],
,,4OBK,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)C(NC(=O)CNC(=O)C(N)C)CC(=O)N,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,3TH9,,,,,,,
,,,9Y9:A:100,valid,Ki,=,20,nM,C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F,
,,,9Y9:B:100,valid,Ki,=,20,nM,C[C@H]1Cc2cc(ccc2S(=O)(=O)[N@@](C1)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O)F,
,,3NUO,,,,,,,
,,,478:B:478,valid,Ki,=,0.16,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,IOD:A:500,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:508,invalid,,,,,[I-],
,,,IOD:B:509,invalid,,,,,[I-],
,,,IOD:B:510,invalid,,,,,[I-],
,,,IOD:B:515,invalid,,,,,[I-],
,,,IOD:B:518,invalid,,,,,[I-],
,,,IOD:B:519,invalid,,,,,[I-],
,,3KFP,,,,,,,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,BME:A:303,invalid,,,,,C(CS)O,
,,,DMS:A:300,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,2O4P,,,,,,,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,TPV:A:300,valid,Kd,=,19,pM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,,3A2O,,,,,,,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,KNJ:B:999,valid,Ki,=,0.83,nM,Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N,
,,1BV9,,,,,,,
,,,XV6:A:638,valid,Ki,=,1.1,nM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3cccc(c3)C(=O)Nc4nccs4)Cc5cccc(c5)C(=O)Nc6nccs6)Cc7ccccc7)O)O,
,,1HVL,,,,,,,
,,,A76:B:800,valid,Ki,=,1000,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,3OUC,,,,,,,
,,,THR ILE MET MET GLN ARG GLY:P:3,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])C(O)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)N)CCSC)C,
,,1K1T,,,,,,,
,,,0Q4:B:201,valid,,,,,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XL2,,,,,,,
,,,189:A:1001,valid,Ki,=,1.5,uM,Cc1cccc(c1OCC(=O)N(Cc2ccccc2)C[C@H]3CNC[C@@H]3C[N@@](CC(C)C)S(=O)(=O)c4ccccc4)C,
,,,CL:A:2601,invalid,,,,,[Cl-],
,,,CL:B:2602,invalid,,,,,[Cl-],
,,,GOL:B:2502,invalid,,,,,C(C(CO)O)O,
,,1ODY,,,,,,,
,,,LP1:A:201,valid,Ki,=,8,nM,CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O,
,,2PK5,,,,,,,
,,,075:A:900,valid,Kd,=,20,pM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CS(=O)(=O)C)NC(=O)COc3cccc4c3ccnc4)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,2CEJ,,,,,,,
,,,1AH:B:1200,valid,Ki,=,2.4,nM,CC(C)(C)[C@@H](C(=O)N[N@](Cc1ccc(cc1)Br)C[C@@](Cc2ccccc2)(C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)NC(=O)OC,
,,3PWR,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,ROC:A:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,1FF0,,,,,,,
,,,2NC:C:300,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,4OBD,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:C:101,invalid,,,,,C(CO)O,
,,,ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO:E:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)C(NC(=O)CNC(=O)C(N)C)CC(=O)N,
,,,ARG PRO GLY ASN PHE PHE GLN ASN ARG PRO:F:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(=O)N)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)C(NC(=O)CNC(=O)C(N)C)CC(=O)N,
,,3I6O,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GR6:B:301,valid,Ki,=,45,pM,COc1ccc2c(c1)OCCC=CCCCCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,,IOD:A:211,invalid,,,,,[I-],
,,,IOD:A:216,invalid,,,,,[I-],
,,,IOD:A:217,invalid,,,,,[I-],
,,,IOD:A:220,invalid,,,,,[I-],
,,,IOD:A:224,invalid,,,,,[I-],
,,,IOD:A:225,invalid,,,,,[I-],
,,,IOD:A:228,invalid,,,,,[I-],
,,,IOD:A:229,invalid,,,,,[I-],
,,,IOD:B:212,invalid,,,,,[I-],
,,,IOD:B:213,invalid,,,,,[I-],
,,,IOD:B:214,invalid,,,,,[I-],
,,,IOD:B:215,invalid,,,,,[I-],
,,,IOD:B:218,invalid,,,,,[I-],
,,,IOD:B:219,invalid,,,,,[I-],
,,,IOD:B:221,invalid,,,,,[I-],
,,,IOD:B:222,invalid,,,,,[I-],
,,,IOD:B:223,invalid,,,,,[I-],
,,,IOD:B:226,invalid,,,,,[I-],
,,,IOD:B:227,invalid,,,,,[I-],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,1TSQ,,,,,,,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:509,invalid,,,,,CC(=O)[O-],
,,,ACT:B:510,invalid,,,,,CC(=O)[O-],
,,,ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN:P:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(C)C)Cc1ccccc1)CC(=O)N)C(NC(=O)C(NC(=O)C([NH3+])C)C)C(C)C,
,,1MEU,,,,,,,
,,,DMP:A:323,valid,Ki,=,0.8,uM,c1ccc(cc1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2Cc3ccc(cc3)CO)Cc4ccc(cc4)CO)Cc5ccccc5)O)O,
,,6PJE,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OPJ:A:101,valid,Ki,=,46,nM,COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,2FXE,,,,,,,
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,DR7:A:102,valid,,,,,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1HOS,,,,,,,
,,,PHP:A:400,valid,Ki,=,2.8,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4,
,,1MT7,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,VAL SER GLN ASN TYR PRO ILE VAL GLN ASN:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)C(C)C)C(CC)C)CCC1)Cc1ccc(O)cc1)CC(=O)N)CCC(=O)N)CO)C([NH3+])C(C)C,
,,1HVS,,,,,,,
,,,A77:A:800,valid,Ki,=,50,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,3R0Y,,,,,,,
,,,RSZ:A:301,valid,ic50,=,14.53,uM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CC(=O)N[C@H](Cc2ccccc2)C(=O)NCC#C)O)NC(=O)c3ccccn3,
,,1FGC,,,,,,,
,,,2NC:C:300,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,4CPT,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,1T8:B:1202,valid,Ki,=,20,nM,CC(C)[C@H]1C(=O)NC/C=CCc2ccc(cc2)C[C@@](C(=O)N1)(CCCN(Cc3ccc(cc3)c4cccnc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O,
,,1DIF,,,,,,,
,,,A85:B:101,valid,Ki,=,22,pM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(C([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)(F)F)(O)O)NC(=O)N(C)Cc4ccccn4,
,,,BME:A:100,invalid,,,,,C(CS)O,
,,,BME:B:100,invalid,,,,,C(CS)O,
,,1D4L,,,,,,,
,,,PI9:A:201,valid,Ki,=,1.7,nM,CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(=O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OBH,,,,,,,
,,,ARG PRO GLY ASN PHE PHE GLN SER ARG PRO:E:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CO,
,,,ARG PRO GLY ASN PHE PHE GLN SER ARG PRO:F:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CCC(=O)N)CO,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:D:105,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:D:104,invalid,,,,,C(CO)O,
,,,EDO:A:107,invalid,,,,,C(CO)O,
,,,EDO:D:106,invalid,,,,,C(CO)O,
,,,EDO:C:104,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:A:105,invalid,,,,,C(CO)O,
,,,EDO:C:103,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:106,invalid,,,,,C(CO)O,
,,,EDO:C:102,invalid,,,,,C(CO)O,
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:102,invalid,,,,,C(C(CO)O)O,
,,,PO4:D:107,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:C:101,invalid,,,,,CC(=O)[O-],
,,3KFR,,,,,,,
,,,1F1:B:201,valid,,,,,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,3TL:A:200,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,BME:A:202,invalid,,,,,C(CS)O,
,,,BME:B:203,invalid,,,,,C(CS)O,
,,2I0A,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,MUI:A:200,valid,Ki,=,0.004,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)[C@@H]2CN(C(=O)O2)c3ccc(cc3)C(=O)C)O)S(=O)(=O)c4ccc(cc4)OC,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6PJN,,,,,,,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OQP:B:101,valid,Ki,=,7.3,nM,COC(=O)NC1(CCCC1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O,
,,1EC1,,,,,,,
,,,BEE:A:501,valid,Ki,=,1.2,nM,CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3)c4ccsc4,
,,6DH6,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,017:A:104,valid,Ki,=,117.2,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,1ZSF,,,,,,,
,,,0ZS:B:201,valid,Ki,=,0.12,nM,CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](CN[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)O,
,,2FGU,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,QNC ASN HPH DIQ NTB:A:504,valid,Kd,=,0.66,nM,O=C(NC(C(O)C[NH+]1C(C(=O)NC(C)(C)C)CC2C(C1)CCCC2)Cc1ccccc1)C([N-]C(=O)c1nc2c(cc1)cccc2)CC(=O)N,
,,3NU3,,,,,,,
,,,478:B:401,valid,Ki,=,0.15,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,2FNT,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:510,invalid,,,,,CC(=O)[O-],
,,,ACT:B:509,invalid,,,,,CC(=O)[O-],
,,,ARG GLN VAL ASN PHE LEU GLY LYS ILE ASN:P:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(C)C)Cc1ccccc1)CC(=O)N)C(NC(=O)C(NC(=O)C([NH3+])C)C)C(C)C,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:508,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KJH,,,,,,,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:P:501,invalid,,,,,CC(=O)[O-],
,,,ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE:P:1,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCCNC(=[NH2+])N)CCCC[NH3+])C(CC)C)CC(C)C)Cc1ccccc1)CC(C)C)CC(=O)[O-])C,
,,3S54,,,,,,,
,,,017:B:201,valid,Ki,=,0.23,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,ACT:B:531,invalid,,,,,CC(=O)[O-],
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,GOL:B:521,invalid,,,,,C(C(CO)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,6U7O,,,,,,,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,Q1D:B:201,valid,Ki,=,15.5,uM,B(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3[C@@H]4C[C@@H]5[C@H]3CO[C@@H]5OC4)O)CC(C)C)(O)O,
,,2PSU,,,,,,,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,MUU:A:200,valid,Ki,=,24,nM,CNC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@](CC2CC2)S(=O)(=O)c3cccc(c3)OC)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4K4P,,,,,,,
,,,3TL:B:101,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,NO3:A:101,invalid,,,,,[N+](=O)([O-])[O-],
,,2AID,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,THK:A:201,valid,Ki,=,15,uM,c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F,
,,,THK:B:202,valid,Ki,=,15,uM,c1cc(ccc1C2(SCCS2)CCCN3CCC(CC3)(c4ccc(cc4)Cl)O)F,
,,5AH7,,,,,,,
,,,CL:A:1100,invalid,,,,,[Cl-],
,,,CL:B:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,C7J:A:1101,valid,,,,,CC(C)CN(CC([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)Cl)O)S(=O)(=O)c4ccc(cc4)N,
,,3GGA,,,,,,,
,,,GGW:H:100,valid,,,,,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,6OXX,,,,,,,
,,,NF7:A:101,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](CO)O,
,,3BXR,,,,,,,
,,,DRR:B:201,valid,Ki,=,0.8,uM,CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC(=O)[C@@H]3Cc4ccc(cc4)OCCCCC(=O)N[C@H](C(=O)N3)C(C)C,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KJF,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ARG PRO GLY ASN PHE LEU GLN SER ARG PRO:P:1,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C([NH3+])C)CCC1)CC(=O)N)Cc1ccccc1)CC(C)C)CCC(=O)N)CO,
,,1SBG,,,,,,,
,,,IM1:A:400,valid,Ki,=,18,nM,CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,2NMZ,,,,,,,
,,,ROC:B:401,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DJK,,,,,,,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,G55:B:401,valid,Ki,=,26,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2CCOCOC2)O)S(=O)(=O)c3ccc(cc3)OC,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,4DFG,,,,,,,
,,,0JV:B:201,valid,Ki,=,1.8,pM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@H]3[C@@H](C2)OC[C@H]3NC(=O)OC)O)S(=O)(=O)c4ccc(cc4)OC,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,1EC2,,,,,,,
,,,BEJ:B:501,valid,Ki,=,0.1,nM,CC(C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(cc3)c4cccnc4,
,,1YTH,,,,,,,
,,,ACE SER LEU ASN PHE:I:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)CC(C)C)CC(=O)N)Cc1ccccc1,
,,3HDK,,,,,,,
,,,2NC:B:0,valid,Kd,=,17.5,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,Family. Representative Entry is ,6FIV,,,,,,,
,,,3TL:A:201,valid,Ki,=,8.3,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HAH,,,,,,,
,,,3TL:A:201,valid,Ki,=,10,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,3OGQ,,,,,,,
,,,AB1:A:200,valid,ic50,=,30,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,3FIV,,,,,,,
,,,ACE ALN VAL LEU ALA GLU ALN NH2:I:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1c2c(ccc1)cccc2)CCC(=O)[O-])C)CC(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c(ccc1)cccc2)C(C)C,
,,,ACE ALN VAL LEU ALA GLU ALN NH2:J:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)Cc1c2c(ccc1)cccc2)CCC(=O)[O-])C)CC(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c(ccc1)cccc2)C(C)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FIV,,,,,,,
,,,LP1:A:201,valid,Ki,=,300,nM,CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O,
,,5FIV,,,,,,,
,,,3TL:A:201,valid,Ki,=,22,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,2FIV,,,,,,,
,,,ACE ALN VAL STA GLU ALN NH2:I:201,valid,,,,,O=C(NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N)Cc1c2c(ccc1)cccc2)CCC(=O)[O-])CC(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c(ccc1)cccc2)C(C)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B11,,,,,,,
,,,3TL:A:201,valid,Ki,=,41,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,SO4:A:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FIV,,,,,,,
,,,ACE ALN VAL STA GLU ALN NH2:B:201,valid,Ki,=,260,nM,O=C(NC(C(O)CC(=O)NC(C(=O)NC(C(=O)N)Cc1c2c(ccc1)cccc2)CCC(=O)[O-])CC(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c(ccc1)cccc2)C(C)C,
,,3OGP,,,,,,,
,,,017:A:200,valid,ic50,=,36,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:200,valid,ic50,=,36,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,4M8X,,,,,,,
,,,KGQ:B:102,valid,Ki,=,0.063,nM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,,KGQ:B:101,valid,Ki,=,0.063,nM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,2RKG,,,,,,,
,,,AB1:B:501,valid,Ki,=,8.2,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,4M8Y,,,,,,,
,,,KGQ:A:201,valid,Ki,=,0.11,nM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,,KGQ:A:202,valid,Ki,=,0.11,nM,CCOP(=O)(COc1ccc(cc1)C[C@@H]([C@@H](C[N@](CC(C)C)S(=O)(=O)c2ccc(cc2)OC)O)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)OCC,
,,2RKF,,,,,,,
,,,AB1:A:501,valid,Ki,=,0.83,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)N4CCCNC4=O)O)C,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3FSM,,,,,,,
,,,2NC:A:204,valid,Kd,=,100,nM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,2O40,,,,,,,
,,,2NC:A:0,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,3NXN,,,,,,,
,,,KVS:A:204,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCC)CC([C@H](CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C)(O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IAW,,,,,,,
,,,2NC:A:204,valid,Kd,=,1.57,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NXE,,,,,,,
,,,2NC:A:204,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EP2,,,,,,,
,,,ALA GLU THR PHE TYR VAL ASP GLY:B:2,valid,Kd,=,4.43,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])C(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])C(O)C,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2J9J,,,,,,,
,,,ACE SER LEU ASN JG3 ILE VME:C:1,valid,,,,,O=C(OC)C(NC(=O)C(NC(=O)C1[NH+](CC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)CC(C)C)CC(=O)N)Cc2ccccc2)CCC1)C(CC)C)C(C)C,
,,,ACT:B:1106,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YHQ,,,,,,,
,,,Y1:A:203,invalid,,,,,[Y+2],
,,,Y1:B:101,invalid,,,,,[Y+2],
,,,Y1:A:202,invalid,,,,,[Y+2],
,,,Y1:B:102,invalid,,,,,[Y+2],
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,,G10:A:201,valid,Ki,=,1.7,nM,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C(CO3)(F)F)O)S(=O)(=O)c4ccc(cc4)N,
,,4J55,,,,,,,
,,,031:A:202,invalid,,,,,COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O,
,,,031:A:201,valid,,,,,COc1ccc(cc1)S(=O)(=O)[N@@](C[C@H]2CCC(=O)N2)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@@H]4C[C@@H]5CCO[C@@H]5C4)O,
,,6PRF,,,,,,,
,,,Y1:A:104,invalid,,,,,[Y+2],
,,,Y1:A:103,invalid,,,,,[Y+2],
,,,Y1:B:102,invalid,,,,,[Y+2],
,,,Y1:B:106,invalid,,,,,[Y+2],
,,,Y1:B:103,invalid,,,,,[Y+2],
,,,Y1:A:101,invalid,,,,,[Y+2],
,,,Y1:A:102,invalid,,,,,[Y+2],
,,,Y1:B:104,invalid,,,,,[Y+2],
,,,Y1:B:105,invalid,,,,,[Y+2],
,,,7OA:B:101,valid,Ki,=,2.5,nM,CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2[C@@H]3C[C@@H]4[C@H]2CO[C@@H]4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7,
,,4YE3,,,,,,,
,,,CL:A:105,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,CL:A:103,invalid,,,,,[Cl-],
,,,Y1:B:203,invalid,,,,,[Y+2],
,,,Y1:A:101,invalid,,,,,[Y+2],
,,,Y1:B:202,invalid,,,,,[Y+2],
,,,Y1:A:102,invalid,,,,,[Y+2],
,,,GOL:A:106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:107,invalid,,,,,C(C(CO)O)O,
,,,G04:B:201,valid,Ki,=,4.3,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)O)S(=O)(=O)c4ccc(cc4)OC,
,,4J5J,,,,,,,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,478:B:401,valid,Ka,=,5610000,M^-1,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,478:B:402,invalid,Ka,=,5610000,M^-1,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,3UFN,,,,,,,
,,,CL:B:100,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,ROC:A:401,valid,Kd,=,930,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,,ROC:A:402,valid,Kd,=,930,nM,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,4J54,,,,,,,
,,,IOD:B:107,invalid,,,,,[I-],
,,,IOD:B:102,invalid,,,,,[I-],
,,,IOD:A:206,invalid,,,,,[I-],
,,,IOD:A:212,invalid,,,,,[I-],
,,,IOD:B:106,invalid,,,,,[I-],
,,,IOD:A:209,invalid,,,,,[I-],
,,,IOD:B:104,invalid,,,,,[I-],
,,,IOD:A:214,invalid,,,,,[I-],
,,,IOD:A:210,invalid,,,,,[I-],
,,,IOD:B:103,invalid,,,,,[I-],
,,,IOD:B:108,invalid,,,,,[I-],
,,,IOD:B:109,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:213,invalid,,,,,[I-],
,,,IOD:A:208,invalid,,,,,[I-],
,,,IOD:B:105,invalid,,,,,[I-],
,,,IOD:A:203,invalid,,,,,[I-],
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:207,invalid,,,,,[I-],
,,,IOD:A:211,invalid,,,,,[I-],
,,,IOD:A:202,invalid,,,,,[I-],
,,,IOD:A:215,invalid,,,,,[I-],
,,,G52:B:101,invalid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,G52:A:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H]4CCO[C@H]4O3)O)S(=O)(=O)c5ccc(cc5)OC,
,,,ACT:A:216,invalid,,,,,CC(=O)[O-],
,,3UCB,,,,,,,
,,,017:A:201,valid,Kd,=,41,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:B:202,valid,Kd,=,41,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,3UHL,,,,,,,
,,,2NC:C:101,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2P3C,,,,,,,
,,,3TL:A:201,valid,Ki,=,24,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,ACY:B:301,invalid,,,,,CC(=O)O,
,,,ACY:B:303,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,4JMU,,,,,,,
,,,1ML:A:202,valid,ic50,=,3.4,uM,CC1CCC(CC1)C(=O)N(c2ccc(cc2C(=O)O)Oc3ccc(cc3)NC(=O)c4ccc(cc4)OC)C(C)C,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2P3B,,,,,,,
,,,3TL:A:101,valid,Ki,=,3.3,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,Family. Representative Entry is ,5YRS,,,,,,,
,,,GLU THR HPH TYR VAL ASP:X:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(O)(O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(O)C)Cc1ccccc1)Cc1ccc(O)cc1)C(C)C)CC(=O)[O-],
,Family. Representative Entry is ,3S43,,,,,,,
,,,478:A:401,valid,Ki,=,2.53,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,GOL:A:532,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:531,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:506,invalid,,,,,[I-],
,,,IOD:B:507,invalid,,,,,[I-],
,,,IOD:B:511,invalid,,,,,[I-],
,,,IOD:B:512,invalid,,,,,[I-],
,,,IOD:B:513,invalid,,,,,[I-],
,,,IOD:B:517,invalid,,,,,[I-],
,Family. Representative Entry is ,3HBO,,,,,,,
,,,2NC:A:0,valid,Kd,=,8.2,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,3NWQ,,,,,,,
,,,2NC:A:100,valid,,,,,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,Family. Representative Entry is ,1BDQ,,,,,,,
,,,IM1:B:400,valid,Ki,=,460,nM,CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,Family. Representative Entry is ,1IDA,,,,,,,
,,,0PO:B:100,valid,ic50,<,2,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](C[N@@]2CC[C@H](C[C@H]2C(=O)NC(C)(C)C)SCc3cccnc3)O)NC(=O)c4ccc5ccccc5n4,
,,1JLD,,,,,,,
,,,0PP:A:100,valid,ic50,=,185,nM,CCC(CC)NC(=O)C[C@@H](C(=O)NC[C@H]([C@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc3ccccc3n2)O)C(C)(C)C,
,,3EBZ,,,,,,,
,,,017:B:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,IMD:A:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:306,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:301,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:305,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:409,Part of Protein,,,,,[Zn+2],
,,3ECG,,,,,,,
,,,065:A:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc5c(c4)OCO5,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,IMD:A:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:306,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:301,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:305,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:409,Part of Protein,,,,,[Zn+2],
,,,ZN:B:410,Part of Protein,,,,,[Zn+2],
,,5UPJ,,,,,,,
,,,UIN:B:100,valid,Ki,=,75,nM,CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=O)O,
,,6UPJ,,,,,,,
,,,NIU:A:100,valid,Ki,=,480,nM,CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCC3)OC2=O)O,
,,4UPJ,,,,,,,
,,,U04:A:100,valid,Ki,=,0.16,uM,CC[C@@H](c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O,
,,1HSH,,,,,,,
,,,MK1:A:401,valid,Ki,=,2.45,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,,MK1:C:402,valid,Ki,=,2.45,nM,CC(C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5,
,,3S45,,,,,,,
,,,478:B:201,valid,Ki,=,3.24,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,CL:A:513,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,CL:B:517,invalid,,,,,[Cl-],
,,,CL:B:518,invalid,,,,,[Cl-],
,,,IMD:A:524,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:526,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:521,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:522,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:523,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:525,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,ZN:A:533,Part of Protein,,,,,[Zn+2],
,,,ZN:A:535,Part of Protein,,,,,[Zn+2],
,,,ZN:A:536,Part of Protein,,,,,[Zn+2],
,,,ZN:B:531,Part of Protein,,,,,[Zn+2],
,,,ZN:B:532,Part of Protein,,,,,[Zn+2],
,,,ZN:B:534,Part of Protein,,,,,[Zn+2],
,,,ZN:B:537,Part of Protein,,,,,[Zn+2],
,,3UPJ,,,,,,,
,,,U03:A:100,valid,Ki,=,0.56,uM,CCC(c1ccccc1)C2=C(c3ccc(cc3OC2=O)OC)O,
,,2MIP,,,,,,,
,,,PHE VAL PHE LEU GLU ILE NH2:E:1,valid,ic50,<,3.5,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(N[CH-]C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)C(C)C)Cc1ccccc1)CC(C)C)CCC(=O)[O-])C(CC)C,
,,,PHE VAL PHE LEU GLU ILE NH2:F:1,valid,ic50,<,3.5,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(N[CH-]C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)C(C)C)Cc1ccccc1)CC(C)C)CCC(=O)[O-])C(CC)C,
,,,PHE VAL PHE LEU GLU ILE NH2:G:1,valid,ic50,<,3.5,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(N[CH-]C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)C(C)C)Cc1ccccc1)CC(C)C)CCC(=O)[O-])C(CC)C,
,,,PHE VAL PHE LEU GLU ILE NH2:H:1,valid,ic50,<,3.5,nM,O=C([NH3+])C(NC(=O)C(NC(=O)C(N[CH-]C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)C(C)C)Cc1ccccc1)CC(C)C)CCC(=O)[O-])C(CC)C,
,,1IVP,,,,,,,
,,,1ZK:B:100,valid,Ki,=,30,nM,CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@H](C(C)C)[C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)COc4cccc5c4cccc5)O)O,
,,3EC0,,,,,,,
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,GRL:A:201,valid,,,,,CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)O)S(=O)(=O)c4ccc(cc4)CO,
,,,IMD:A:304,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:306,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:301,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:305,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:409,Part of Protein,,,,,[Zn+2],
,,1IDB,,,,,,,
,,,0DO:B:100,valid,ic50,=,11,nM,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@@]3CC[C@H](C[C@H]3C(=O)NC(C)(C)C)S(=O)(=O)c4ccncc4)O)C,
,,1HII,,,,,,,
,,,C20:B:101,valid,Ki,=,53,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](C[N@](CC2CCCCC2)NC(=O)[C@H](C(C)C)NC(=O)C)O)NC(=O)C,
,,,SO4:A:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2AZC,,,,,,,
,,,3TL:A:200,valid,ic50,=,183,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,3TL:B:200,valid,ic50,=,183,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,Family. Representative Entry is ,1SIV,,,,,,,
,,,PSI:B:100,valid,Ki,=,8.4,nM,C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N,
,,1TCW,,,,,,,
,,,IM1:A:400,valid,Ki,=,960,nM,CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,,IM1:B:600,valid,Ki,=,960,nM,CC(C)[C@@H](c1[nH]ccn1)NC(=O)[C@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O,
,,1YTI,,,,,,,
,,,PHE LEU GLU LYS:I:101,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)CC(C)C)CCC(=O)[O-])CCCC[NH3+],
,,1YTJ,,,,,,,
,,,PPN GLU ALA NLE SER:I:104,valid,,,,,O=[N+]([O-])c1ccc(CC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C)C)CCC(=O)[O-])cc1,
,Family. Representative Entry is ,3KA2,,,,,,,
,,,2NC:A:204,valid,Kd,=,0.24,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,4EQ0,,,,,,,
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,ALA THR ILE MET MET GLN ARG GLY:P:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)N)CCSC)C,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:209,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4EP3,,,,,,,
,,,BME:A:204,invalid,,,,,C(CS)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,LYS ALA ARG VAL LEU ALA GLU ALA MET:E:1,valid,,,,,,
,,3HLO,,,,,,,
,,,2NC:A:204,valid,Kd,=,0.61,uM,CCCC[C@@H](CN[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)C,
,,4EPJ,,,,,,,
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,ALA THR ILE MET MET GLN ARG GLY:D:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)N)CCSC)C,
,,,BME:A:206,invalid,,,,,C(CS)O,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,1HVC,,,,,,,
,,,A79:A:800,valid,,,,,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]([C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc3ccccn3)O)O)NC(=O)N(C)Cc4ccccn4,
,,2WHH,,,,,,,
,,,GLU:A:2202,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:2302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PPN:A:2201,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,PPN:A:2301,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,3N3I,,,,,,,
,,,ROC:A:201,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,4EQJ,,,,,,,
,,,ALA GLU THR PHE TYR VAL ASP GLY:G:3,valid,Kd,=,2.52,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])C(C)C)Cc1ccc(O)cc1)Cc1ccccc1)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])C(O)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3MWS,,,,,,,
,,,017:B:201,valid,,,,,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4Q5M,,,,,,,
,,,ROC:A:1101,valid,,,,,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@]1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O,
,,3DOX,,,,,,,
,,,PRO ILE VAL:Q:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(CC)C)C(C)C,
,,,SER GLN ASN TYR:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCC(=O)N)CC(=O)N)Cc1ccc(O)cc1,
,Family. Representative Entry is ,2O4N,,,,,,,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,TPV:A:300,valid,Kd,=,15010,pM,CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4,
,Family. Representative Entry is ,1FMB,,,,,,,
,,,HYB:A:201,valid,Ki,=,0.1,nM,CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)[C@H](Cc2cccc3c2cccc3)CS(=O)(=O)C(C)(C)C,
,,2FMB,,,,,,,
,,,LP1:A:201,valid,Ki,=,2,nM,CC[C@@H](C(=O)N[C@@H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccc4c3cccc4)NC(=O)C)O,
,Family. Representative Entry is ,3T3C,,,,,,,
,,,017:A:201,valid,Ki,=,0.059,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,BME:A:100,invalid,,,,,C(CS)O,
,,,BME:B:100,invalid,,,,,C(CS)O,
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2FXD,,,,,,,
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,,DR7:A:102,valid,ic50,=,12,nM,CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC,
,,,SO4:A:100,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3U7S,,,,,,,
,,,017:A:201,valid,Ki,=,3700,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,017:A:202,valid,Ki,=,3700,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,,,BME:A:203,invalid,,,,,C(CS)O,
,,,BME:B:101,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,6P9B,,,,,,,
,,,478:A:101,valid,Ki,=,3.6,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6P9A,,,,,,,
,,,PO4:B:103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,017:A:101,valid,Ki,=,4,nM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
,Family. Representative Entry is ,3GGU,,,,,,,
,,,017:B:201,valid,Ki,=,170,pM,CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N,
2.7.7.52,,,,,,,,,
,Family. Representative Entry is ,5Z4A,,,,,,,
,,,A   G   U  :B:-1,valid,,,,,,
,,5Z4M,,,,,,,
,,,UTP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,5Z4J,,,,,,,
,,,U   U   U   U  :B:-2,valid,,,,,,
,,6I0S,,,,,,,
,,,2KH:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,6I0T,,,,,,,
,,,G   U  :B:1,valid,,,,,,
,,5Z4D,,,,,,,
,,,A   G   U   U  :B:-2,valid,,,,,,
,Family. Representative Entry is ,2Q0D,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,2Q0E,,,,,,,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,2NOM,,,,,,,
,,,DUT:A:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:502,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,2Q0F,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,U5P:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2Q0C,,,,,,,
,,,CTP:A:501,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,2Q0G,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,UPU:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,
,,,UPU:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,
,,2IKF,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5W0N,,,,,,,
,,,ZN:B:1404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1404,Part of Protein,,,,,[Zn+2],
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,MG:C:1401,Part of Protein,,,,,[Mg+2],
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2KH:A:1402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,2KH:C:1402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,2KH:B:1402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,IOD:C:1404,invalid,,,,,[I-],
,,,IOD:A:1405,invalid,,,,,[I-],
,,,IOD:B:1405,invalid,,,,,[I-],
,,,UPU:A:1403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,
,,,UPU:C:1403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,
,,,UPU:B:1403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=O)NC4=O)CO)O)O,
,Family. Representative Entry is ,6IW6,,,,,,,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,FLC:A:1003,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1003,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
3.5.3.17,,,,,,,,,
,Family. Representative Entry is ,3NIP,,,,,,,
,,,16D:B:327,valid,,,,,C(CCCN)CCN,
,,,16D:B:328,valid,,,,,C(CCCN)CCN,
,,,16D:D:327,valid,,,,,C(CCCN)CCN,
,,,16D:D:328,valid,,,,,C(CCCN)CCN,
,,,16D:E:327,valid,,,,,C(CCCN)CCN,
3.14.17.1,,,,,,,,,
,Family. Representative Entry is ,2V77,,,,,,,
,,,EPE:A:1309,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1310,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1309,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PAY:A:400,valid,Ki,=,8.7,uM,C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PAY:B:400,valid,Ki,=,8.7,uM,C[C@@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,ZN:A:1042,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1042,Part of Protein,,,,,[Zn+2],
3.4.17.21,,,,,,,,,
,Family. Representative Entry is ,4X3R,,,,,,,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:1304,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1311,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1312,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,686:A:1320,valid,Ki,=,0.0086,nM,c1cc(ccc1CN(CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)c2ccc(nc2)N3CCN(CC3)c4ccc(cc4)N5CCN(CC5)C(=O)c6ccc(c(c6)C7=C8C=CC(=O)C=C8Oc9c7ccc(c9)O)C(=O)O)Br,
,,,ZN:A:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,CL:A:1303,invalid,,,,,[Cl-],
,,3D7F,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,YBY:A:1,valid,ic50,=,0.5,nM,c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I)O,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,3BI0,,,,,,,
,,,BIX:A:1,valid,ic50,=,14,nM,C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,6H7Z,,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:A:827,invalid,,,,,C(CO)O,
,,,EDO:A:825,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:826,invalid,,,,,C(CO)O,
,,,EDO:A:828,invalid,,,,,C(CO)O,
,,,TRS:A:829,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,FVW:A:832,valid,ic50,=,0.075,nM,CN(c1ccc(nc1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,PEG:A:830,invalid,,,,,C(COCCO)O,
,,,PEG:A:822,invalid,,,,,C(COCCO)O,
,,,PEG:A:831,invalid,,,,,C(COCCO)O,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN:G:1,invalid,,,,,,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:804,invalid,,,,,[Cl-],
,,6FE5,,,,,,,
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,NAG:A:820,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:819,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,D6E:A:821,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4OC3,,,,,,,
,,,2QP:A:820,valid,Ki,=,5.3,nM,c1cc(oc1)C[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O,
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,CL:A:819,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4MCR,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,29D:A:818,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CL:A:804,invalid,,,,,[Cl-],
,,2XEF,,,,,,,
,,,AR8:A:1770,valid,Ki,=,0.145,nM,c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4OC2,,,,,,,
,,,ZN:A:818,Part of Protein,,,,,[Zn+2],
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:819,Part of Protein,,,,,[Ca+2],
,,,2QQ:A:821,valid,Ki,=,5.3,nM,C#CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:820,invalid,,,,,[Cl-],
,,2PVV,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN:E:1,invalid,,,,,,
,,,OSE:A:1768,valid,ic50,=,438,uM,C([C@@H](C(=O)O)N)OS(=O)(=O)O,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,2PVW,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,G88:A:1768,valid,ic50,=,0.3,nM,C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O,
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4OC1,,,,,,,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,2QS:A:818,valid,Ki,=,254,nM,c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](C[C@H]2CO2)C(=O)O)I,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,CL:A:817,invalid,,,,,[Cl-],
,,4P4D,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,2GR:A:820,valid,ic50,=,1800,nM,c1ccc(cc1)C(=O)NCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:819,invalid,,,,,[Cl-],
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4MCS,,,,,,,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ASP:A:819,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,GLU:A:818,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,CL:A:817,invalid,,,,,[Cl-],
,,3SJE,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SDR:A:1,valid,,,,,CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4P4J,,,,,,,
,,,2H9:A:818,valid,ic50,=,700,nM,c1ccc(cc1)C(=O)N[C@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:817,invalid,,,,,[Cl-],
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,3D7D,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,FBD:A:1,valid,ic50,=,14,nM,c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F,
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4OC5,,,,,,,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,2QM:A:818,valid,Ki,=,85,nM,c1cc(ccc1[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)I)C(=O)O)O,
,,,CL:A:817,invalid,,,,,[Cl-],
,,2C6C,,,,,,,
,,,24I:A:1767,valid,ic50,=,30,nM,c1cc(ccc1C[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)I,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1758,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN:D:1,invalid,,,,,,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4P4B,,,,,,,
,,,2G2:A:820,valid,ic50,=,14,nM,C(CC(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)[C@@H](C(=O)O)N,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:812,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:804,invalid,,,,,[Cl-],
,,3D7G,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,MUD:A:1,valid,ic50,=,17,nM,CSC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,3SJF,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,JRG:A:1,valid,Ki,=,23,nM,CSCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O,
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,3BI1,,,,,,,
,,,3BI:A:1,valid,ic50,=,0.12,nM,C[N@](Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@H](CC[P@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1758,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4P4I,,,,,,,
,,,2G5:A:818,valid,ic50,=,35,nM,c1ccc(cc1)C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:817,invalid,,,,,[Cl-],
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,4P44,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:817,invalid,,,,,[Cl-],
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,2F7:A:818,valid,ic50,=,16,nM,CC[C@@H](C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F,
,,5D29,,,,,,,
,,,CA:A:815,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ACT:A:817,invalid,,,,,CC(=O)[O-],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,ZN:A:813,Part of Protein,,,,,[Zn+2],
,,,5Q1:A:818,valid,ic50,=,97,nM,c1cc(ccc1C[C@H](CCC(=O)NO)C(=O)O)C(=O)O,
,,,NAG NAG BMA BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:816,invalid,,,,,[Cl-],
,,5OF0,,,,,,,
,,,ZN:A:819,Part of Protein,,,,,[Zn+2],
,,,ZN:A:818,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:820,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,CL:A:821,invalid,,,,,[Cl-],
,,,9TB:A:822,valid,,,,,c1cc(ccc1CNC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3SJG,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SDR:A:1,valid,,,,,CCCCCCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,5F09,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,PGE:A:820,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:817,invalid,,,,,[Cl-],
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BC8:A:819,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4P4F,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,2GB:A:820,valid,ic50,=,168,nM,c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O,
,,,CL:A:819,invalid,,,,,[Cl-],
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4MCQ,,,,,,,
,,,29C:A:818,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CL:A:804,invalid,,,,,[Cl-],
,,2XEG,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CI9:A:1768,valid,Ki,=,0.02,nM,c1cc(c(cc1N(O)O)N(O)O)NCCOCCOCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,2OR4,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,QUS:A:1801,valid,ic50,=,9.5,uM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,2XEJ,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,OKD:A:1768,valid,Ki,=,1.34,nM,COCCOCCOCCOCCOCc1cn(nn1)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4P45,,,,,,,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,2F9:A:822,valid,ic50,=,16,nM,CC(C)[C@@H](C(=O)N[C@@H](COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)NC(=O)c1ccc(cc1)F,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,ZN:A:818,Part of Protein,,,,,[Zn+2],
,,,ZN:A:819,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:820,Part of Protein,,,,,[Ca+2],
,,,CL:A:821,invalid,,,,,[Cl-],
,,3D7H,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,YC2:A:1,valid,ic50,=,0.06,nM,c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)I,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4P4E,,,,,,,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,ZN:A:818,Part of Protein,,,,,[Zn+2],
,,,ZN:A:819,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:820,Part of Protein,,,,,[Ca+2],
,,,CL:A:821,invalid,,,,,[Cl-],
,,,2G4:A:822,valid,ic50,=,180,nM,c1ccc(cc1)CCCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O,
,,6H7Y,,,,,,,
,,,FVZ:A:833,valid,ic50,=,0.35,nM,c1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:834,invalid,,,,,[Cl-],
,,,CL:A:820,invalid,,,,,[Cl-],
,,,EDO:A:825,invalid,,,,,C(CO)O,
,,,EDO:A:822,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:826,invalid,,,,,C(CO)O,
,,,EDO:A:821,invalid,,,,,C(CO)O,
,,,TAM:A:827,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:A:828,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:A:830,invalid,,,,,C(COCCO)O,
,,,PEG:A:829,invalid,,,,,C(COCCO)O,
,,,PEG:A:831,invalid,,,,,C(COCCO)O,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,ZN:A:818,Part of Protein,,,,,[Zn+2],
,,,PGE:A:832,invalid,,,,,C(COCCOCCO)O,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,CA:A:819,Part of Protein,,,,,[Ca+2],
,,2JBJ,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,G88:A:1768,valid,Ki,=,0.2,nM,C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O,
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1761,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,2XEI,,,,,,,
,,,ARK:A:1770,valid,Ki,=,0.024,nM,c1cc(c(cc1[N+](=O)O)[N+](=O)O)NCCOCCOCc2cn(nn2)CCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,6HKJ,,,,,,,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TAM:A:817,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,CL:A:819,invalid,,,,,[Cl-],
,,,CL:A:816,invalid,,,,,[Cl-],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:815,Part of Protein,,,,,[Ca+2],
,,,ZN:A:813,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,G8W:A:818,valid,ic50,=,0.99,nM,c1cc(ncc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)F,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3BXM,,,,,,,
,,,ACE ASP GLU:I:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C)CC(=O)[O-])CCC(=O)[O-],
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,6S1X,,,,,,,
,,,ZN:A:816,Part of Protein,,,,,[Zn+2],
,,,ZN:A:817,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,KRZ:A:820,valid,ic50,=,107,nM,c1cc(ccc1C(=O)NCCC(=O)N[C@@H](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:819,invalid,,,,,[Cl-],
,,3BHX,,,,,,,
,,,BHX:A:1,valid,ic50,=,0.7,nM,C(CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)O,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,4OC4,,,,,,,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,CL:A:817,invalid,,,,,[Cl-],
,,,2QN:A:818,valid,Ki,=,105,nM,c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](Cc2ccncc2)C(=O)O)I,
,,5ELY,,,,,,,
,,,5PU:A:817,valid,ic50,=,44,nM,c1cc(ccc1C[C@@H](CCC(=O)NO)C(=O)O)C(=O)O,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ACT:A:818,invalid,,,,,CC(=O)[O-],
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:804,invalid,,,,,[Cl-],
,,4OC0,,,,,,,
,,,CA:A:816,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,2R7:A:818,valid,Ki,=,318,nM,c1cc(ccc1C(=O)NCCCC[C@@H](C(=O)O)NC(=O)NC2(CC2)C(=O)O)I,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,CL:A:817,invalid,,,,,[Cl-],
,,4MCP,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:811,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,28Z:A:818,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CL:A:804,invalid,,,,,[Cl-],
,,3SJX,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,QRG:A:1,valid,,,,,CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)O,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,6RBC,,,,,,,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:814,Part of Protein,,,,,[Zn+2],
,,,ZN:A:813,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,JX5:A:817,valid,ic50,=,3.97,nM,c1cc(ccc1C(=O)NCCCC(=O)N[C@H](CNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)I,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:A:815,Part of Protein,,,,,[Ca+2],
,,,CL:A:816,invalid,,,,,[Cl-],
,,6HKZ,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:807,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,GBZ:A:818,valid,ic50,=,0.13,nM,c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CL:A:804,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3IWW,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,YZE:A:1,valid,Ki,=,11,nM,C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)c1ccc(cc1)I)C(=O)O,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,3RBU,,,,,,,
,,,CA:A:1753,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,G88:A:1800,valid,Ki,=,370,pM,C(CC(=O)O)[C@H](CP(=O)(O)O)C(=O)O,
,,,NAG:A:1757,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1759,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3FED,,,,,,,
,,,BIX:A:1,valid,Ki,=,34.6,nM,C(CC(=O)O)[C@H](C[P@](=O)(CC[C@@H](C(=O)O)N)O)C(=O)O,
,,,CA:A:1755,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1756,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1758,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
,,3FEE,,,,,,,
,,,CA:A:1755,Part of Protein,,,,,[Ca+2],
,,,CL:A:1754,invalid,,,,,[Cl-],
,,,NAG:A:1756,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1757,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1758,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,QUS:A:741,valid,Ki,=,230,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:1751,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1752,Part of Protein,,,,,[Zn+2],
4.2.3.17,,,,,,,,,
,Family. Representative Entry is ,3P5P,,,,,,,
,,,A3C:A:911,valid,,,,,C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C,
,,,A3C:A:912,valid,,,,,C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC[N@@](C)CCO[P@](=O)(O)OP(=O)(O)O)(C)C,
,,,EDO:A:921,invalid,,,,,C(CO)O,
,,,EDO:A:922,invalid,,,,,C(CO)O,
,,,EDO:A:923,invalid,,,,,C(CO)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,3P5R,,,,,,,
,,,FGG:A:911,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)/C)C,
,,,FGG:B:911,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)F)/C)/C)/C)C,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
1.15.1.1,,,,,,,,,
,Family. Representative Entry is ,5YTU,,,,,,,
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:J:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:202,invalid,,,,,C(C(CO)O)O,
,,,TAM:A:203,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,5FW:A:201,valid,Kd,=,12,uM,CC(C)NC[C@@H](c1ccc(c(c1)O)O)O,
,,,S4P:A:204,invalid,,,,,SSSS,
,,,S4P:E:202,invalid,,,,,SSSS,
,,,S4P:C:202,invalid,,,,,SSSS,
,,5YTO,,,,,,,
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:G:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,946:B:203,valid,Kd,=,33,uM,c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O,
,,,946:H:202,valid,Kd,=,33,uM,c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O,
,,,946:D:202,valid,Kd,=,33,uM,c1ccc2cc(ccc2c1)CNC[C@@H](c3ccc(c(c3)O)O)O,
,,,PS5:B:204,invalid,,,,,[S-]SSS[S-],
,,,PS5:E:202,invalid,,,,,[S-]SSS[S-],
,,,PS5:C:203,invalid,,,,,[S-]SSS[S-],
,Family. Representative Entry is ,6FFK,,,,,,,
,,,D7Z:B:201,valid,Kd,=,37,uM,C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl,
,,,D7Z:A:201,valid,Kd,=,37,uM,C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl,
,,,D7Z:F:201,valid,Kd,=,37,uM,C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl,
,,,D7Z:D:201,valid,Kd,=,37,uM,C1CC[C@@H]2[C@@H](C1)N[Pt](N2)(Cl)Cl,
,,2WYZ,,,,,,,
,,,CU:A:154,Part of Protein,,,,,[Cu+2],
,,,CU:F:154,Part of Protein,,,,,[Cu+2],
,,,SO4:A:156,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:156,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U5P:A:157,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,ZN:A:154,Part of Protein,,,,,[Zn+2],
,,,ZN:A:155,Part of Protein,,,,,[Zn+2],
,,,ZN:F:154,Part of Protein,,,,,[Zn+2],
,,,ZN:F:155,Part of Protein,,,,,[Zn+2],
,,6A9O,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:J:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:202,Part of Protein,,,,,[Zn+2],
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,DMS:D:202,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,S4P:C:203,invalid,,,,,SSSS,
,,,S4P:A:204,invalid,,,,,SSSS,
,,,S4P:F:203,invalid,,,,,SSSS,
,,,6B3:F:201,valid,,,,,c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O,
,,2WZ0,,,,,,,
,,,CU:A:154,Part of Protein,,,,,[Cu+2],
,,,CU:F:154,Part of Protein,,,,,[Cu+2],
,,,DMS:F:156,invalid,,,,,CS(=O)C,
,,,DSN:F:157,invalid,,,,,C([C@H](C(=O)O)N)O,
,,,SO4:A:156,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:154,Part of Protein,,,,,[Zn+2],
,,,ZN:A:155,Part of Protein,,,,,[Zn+2],
,,,ZN:F:155,Part of Protein,,,,,[Zn+2],
,,,ZZT:A:158,valid,,,,,Cc1ccc(c(c1)N)OC,
,,,ZZT:F:158,valid,,,,,Cc1ccc(c(c1)N)OC,
,,6SPJ,,,,,,,
,,,GOL:J:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:F:208,invalid,,,,,[Cl-],
,,,CL:E:213,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:I:211,invalid,,,,,[Cl-],
,,,CL:J:211,invalid,,,,,[Cl-],
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:J:203,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:203,Part of Protein,,,,,[Zn+2],
,,,ZN:F:203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:E:203,Part of Protein,,,,,[Zn+2],
,,,ZN:J:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,DMS:E:209,invalid,,,,,CS(=O)C,
,,,DMS:E:210,invalid,,,,,CS(=O)C,
,,,DMS:A:211,invalid,,,,,CS(=O)C,
,,,DMS:B:212,invalid,,,,,CS(=O)C,
,,,DMS:E:211,invalid,,,,,CS(=O)C,
,,,DMS:A:212,invalid,,,,,CS(=O)C,
,,,DMS:J:210,invalid,,,,,CS(=O)C,
,,,DMS:I:210,invalid,,,,,CS(=O)C,
,,,DMS:E:212,invalid,,,,,CS(=O)C,
,,,LR2:A:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,,LR2:B:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,,LR2:E:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,,LR2:F:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,,LR2:J:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,,LR2:I:202,valid,,,,,c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH],
,,6SPH,,,,,,,
,,,DMS:E:203,invalid,,,,,CS(=O)C,
,,,DMS:G:205,invalid,,,,,CS(=O)C,
,,,DMS:J:305,invalid,,,,,CS(=O)C,
,,,DMS:L:203,invalid,,,,,CS(=O)C,
,,,GOL:L:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:204,invalid,,,,,C(C(CO)O)O,
,,,ZN:E:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:201,Part of Protein,,,,,[Zn+2],
,,,ZN:G:201,Part of Protein,,,,,[Zn+2],
,,,ZN:J:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,9JT:C:202,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,9JT:A:202,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,9JT:J:303,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,9JT:L:202,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,9JT:G:203,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,9JT:E:202,valid,,,,,c1ccc(cc1)NC(=O)c2ccccc2[SeH],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WZ6,,,,,,,
,,,CU:A:202,Part of Protein,,,,,[Cu+2],
,,,CU:F:202,Part of Protein,,,,,[Cu+2],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:F:204,Part of Protein,,,,,[Zn+2],
,,,ZN:F:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZO0:F:206,valid,,,,,CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F,
,,,ZO0:A:204,valid,,,,,CN1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F,
,,2WZ5,,,,,,,
,,,CU:A:154,Part of Protein,,,,,[Cu+2],
,,,CU:F:154,Part of Protein,,,,,[Cu+2],
,,,MET:A:158,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:F:158,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SO4:A:156,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:154,Part of Protein,,,,,[Zn+2],
,,,ZN:A:155,Part of Protein,,,,,[Zn+2],
,,,ZN:F:155,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6B79,,,,,,,
,,,LYS A8E LYS VAL TRP GLY SER ILE LYS ARG LEU:B:1,Part of Protein,,,,,,
,,,LYS A8E LYS VAL TRP GLY SER ILE LYS ARG LEU:A:1,Part of Protein,,,,,,
,,,ORA:A:101,valid,,,,,c1ccc(cc1)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O,
1.2.1.59,,,,,,,,,
,Family. Representative Entry is ,2YYY,,,,,,,
,,,NAP:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.5.1.129,,,,,,,,,
,Family. Representative Entry is ,6QLG,,,,,,,
,,,FMN:C:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,DMA:C:301,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:C:304,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:301,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:302,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:F:302,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:D:301,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,PO4:C:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,PEG:D:303,invalid,,,,,C(COCCO)O,
2.6.1.57,,,,,,,,,
,Family. Representative Entry is ,2AY3,,,,,,,
,,,MPP:A:414,valid,Kd,=,0.28,mM,COc1ccc(cc1OC)CCC(=O)O,
,,,MPP:B:414,valid,Kd,=,0.28,mM,COc1ccc(cc1OC)CCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY8,,,,,,,
,,,4TB:A:414,valid,Kd,=,5.8,mM,c1cc(sc1)CCCC(=O)O,
,,,4TB:B:414,valid,Kd,=,5.8,mM,c1cc(sc1)CCCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY4,,,,,,,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PPT:B:414,valid,Kd,=,1.24,mM,Cc1ccc(cc1)CCC(=O)O,
,,2AY7,,,,,,,
,,,CLT:B:414,valid,Kd,=,5,mM,c1ccc(cc1)CCCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1AY8,,,,,,,
,,,HCI:B:414,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1AY5,,,,,,,
,,,MAE:A:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY9,,,,,,,
,,,5PV:A:414,valid,Kd,=,6.9,mM,c1ccc(cc1)CCCCC(=O)O,
,,,5PV:B:414,valid,Kd,=,6.9,mM,c1ccc(cc1)CCCCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY6,,,,,,,
,,,3IB:B:414,valid,Kd,=,0.78,mM,c1ccc2c(c1)c(c[nH]2)CCCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY2,,,,,,,
,,,CXP:B:414,valid,Kd,=,13.1,mM,C1CCC(CC1)CCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY5,,,,,,,
,,,IOP:B:414,valid,Kd,=,2.6,mM,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2AY1,,,,,,,
,,,AHC:B:414,valid,Kd,=,5.14,mM,c1cc(ccc1CCC(=O)O)N,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4RKC,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,PMP:A:409,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:405,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:402,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:402,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
2.3.3.14,,,,,,,,,
,Family. Representative Entry is ,2ZYF,,,,,,,
,,,AKG:A:383,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MG:A:384,Part of Protein,,,,,[Mg+2],
,,2ZTK,,,,,,,
,,,CU:A:384,Part of Protein,,,,,[Cu+2],
,,,HCA:A:383,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,2ZTJ,,,,,,,
,,,AKG:A:383,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CU:A:384,Part of Protein,,,,,[Cu+2],
,Family. Representative Entry is ,6KTQ,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:404,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1PE:A:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,COA:B:405,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3MI3,,,,,,,
,,,LYS:A:1000,valid,Ki,=,3.56,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:1000,valid,Ki,=,3.56,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
2.4.1.31,,,,,,,,,
,Family. Representative Entry is ,6GH3,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,CL:B:1009,invalid,,,,,[Cl-],
,,,CL:A:1008,invalid,,,,,[Cl-],
,,,CL:B:1010,invalid,,,,,[Cl-],
,,,CL:A:1009,invalid,,,,,[Cl-],
,,,M1P:A:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,M1P:B:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GH2,,,,,,,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,G1P:B:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:A:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,CL:B:1007,invalid,,,,,[Cl-],
,,,CL:B:1008,invalid,,,,,[Cl-],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,CL:A:1007,invalid,,,,,[Cl-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
4.6.1.10,,,,,,,,,
,Family. Representative Entry is ,1B66,,,,,,,
,,,BIO:A:700,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,BIO:B:701,valid,,,,,C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
3.4.11.9,,,,,,,,,
,Family. Representative Entry is ,1N51,,,,,,,
,,,01B PRO PRO ALA NH2:B:1,valid,Ki,=,14,uM,O=C(C(O)C([NH3+])Cc1ccccc1)N1C(C(=O)N2C(C(=O)NC(C=O)C)CCC2)CCC1,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:A:2003,Part of Protein,,,,,[Mn+2],
,,2V3X,,,,,,,
,,,CL:A:1443,invalid,,,,,[Cl-],
,,,MN:A:1441,Part of Protein,,,,,[Mn+2],
,,,MN:A:1442,Part of Protein,,,,,[Mn+2],
,,,VAL PRO LEU:B:0,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,2BHD,,,,,,,
,,,FLC:A:1444,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:1441,Part of Protein,,,,,[Mg+2],
,,,MG:A:1442,Part of Protein,,,,,[Mg+2],
,,,MG:A:1443,Part of Protein,,,,,[Mg+2],
,,,VAL PRO LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,1A16,,,,,,,
,,,MN:A:443,Part of Protein,,,,,[Mn+2],
,,,MN:A:444,Part of Protein,,,,,[Mn+2],
,,,PRO LEU:A:441,valid,,,,,,
,,2BH3,,,,,,,
,,,FLC:A:1005,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,PRO LEU:A:501,valid,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1007,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1008,Part of Protein,,,,,[Zn+2],
,,2V3Y,,,,,,,
,,,CL:A:1443,invalid,,,,,[Cl-],
,,,MN:A:1441,Part of Protein,,,,,[Mn+2],
,,,MN:A:1442,Part of Protein,,,,,[Mn+2],
,,,VAL PRO LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,2BHA,,,,,,,
,,,FLC:A:1005,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,VAL PRO LEU:B:0,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,2BN7,,,,,,,
,,,FLC:A:1444,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:1443,invalid,,,,,[Mg+2],
,,,MN:A:1441,Part of Protein,,,,,[Mn+2],
,,,MN:A:1442,Part of Protein,,,,,[Mn+2],
,,,PRO LEU:A:501,valid,,,,,,
,,,ZN:A:1445,Part of Protein,,,,,[Zn+2],
,,1W7V,,,,,,,
,,,CL:A:1442,invalid,,,,,[Cl-],
,,,CL:B:1443,invalid,,,,,[Cl-],
,,,CL:C:1442,invalid,,,,,[Cl-],
,,,CL:D:1443,invalid,,,,,[Cl-],
,,,MG:A:1441,Part of Protein,,,,,[Mg+2],
,,,MG:B:1441,Part of Protein,,,,,[Mg+2],
,,,MG:B:1442,Part of Protein,,,,,[Mg+2],
,,,MG:C:1441,Part of Protein,,,,,[Mg+2],
,,,MG:D:1441,Part of Protein,,,,,[Mg+2],
,,,MG:D:1442,Part of Protein,,,,,[Mg+2],
,,,VAL PRO LEU:E:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,,VAL PRO LEU:F:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,,VAL PRO LEU:G:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,,VAL PRO LEU:H:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
,,,ZN:A:1440,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1440,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1440,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1440,Part of Protein,,,,,[Zn+2],
,,2V3Z,,,,,,,
,,,CL:A:1443,invalid,,,,,[Cl-],
,,,MN:A:1441,Part of Protein,,,,,[Mn+2],
,,,MN:A:1442,Part of Protein,,,,,[Mn+2],
,,,VAL PRO LEU:B:0,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)CC(C)C,
2.5.1.27,,,,,,,,,
,Family. Representative Entry is ,2ZE7,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DST:A:400,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,2ZE6,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DST:A:400,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,2ZE5,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3A8T,,,,,,,
,,,ATP:A:800,valid,Ka,=,764000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
3.2.1.55,,,,,,,,,
,Family. Representative Entry is ,3ZXK,,,,,,,
,,,EPE:A:1563,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1563,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,XYP XYP AHR XYP:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR XYP:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5M1Z,,,,,,,
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,MN:A:510,Part of Protein,,,,,[Mn+2],
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,MN:A:509,Part of Protein,,,,,[Mn+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,6LW AHR:B:1,valid,Ki,=,66,uM,O(CC1C(O)C(O)C(NO)O1)C1C(O)C(O)C(CO)O1,
,,2W5O,,,,,,,
,,,AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YDP,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,EDG AHR:A:500,valid,,,,,O(CC1C(O)C(O)C[NH2+]1)C1C(O)C(O)C(CO)O1,
,,,EDG AHR:B:500,valid,,,,,O(CC1C(O)C(O)C[NH2+]1)C1C(O)C(O)C(CO)O1,
,,,EDG AHR:C:500,valid,,,,,O(CC1C(O)C(O)C[NH2+]1)C1C(O)C(O)C(CO)O1,
,,2YDT,,,,,,,
,,,ACT:A:1512,invalid,,,,,CC(=O)[O-],
,,,EDG AHR:A:500,valid,,,,,O(CC1C(O)C(O)C[NH2+]1)C1C(O)C(O)C(CO)O1,
,,,MN:A:1507,Part of Protein,,,,,[Mn+2],
,,,MN:A:1508,Part of Protein,,,,,[Mn+2],
,,,MN:A:1509,Part of Protein,,,,,[Mn+2],
,,,MN:A:1510,Part of Protein,,,,,[Mn+2],
,,,MN:A:1511,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6SXR,,,,,,,
,,,1PE:A:533,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:525,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:510,invalid,,,,,CC(=O)[O-],
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:534,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:528,invalid,,,,,C(CO)O,
,,,EDO:A:529,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:527,invalid,,,,,C(CO)O,
,,,EDO:A:531,invalid,,,,,C(CO)O,
,,,EDO:A:532,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,PEG:A:514,invalid,,,,,C(COCCO)O,
,,,PEG:A:524,invalid,,,,,C(COCCO)O,
,,,PEG:A:516,invalid,,,,,C(COCCO)O,
,,,PEG:A:530,invalid,,,,,C(COCCO)O,
,,,PEG:A:515,invalid,,,,,C(COCCO)O,
,,,PEG:A:520,invalid,,,,,C(COCCO)O,
,,,PEG:A:518,invalid,,,,,C(COCCO)O,
,,,PEG:A:517,invalid,,,,,C(COCCO)O,
,,,KHP:A:506,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O,
,,,KHP:A:507,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O,
,,,KHP:A:513,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O,
,,,PGE:A:521,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2D44,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,XYS XYS AHR:D:1,valid,,,,,O(C1C(O)C(O)COC1OC1C(O)C(O)C(O)OC1)C1C(O)C(O)C(CO)O1,
,,,XYS XYS AHR:C:1,valid,,,,,O(C1C(O)C(O)COC1OC1C(O)C(O)C(O)OC1)C1C(O)C(O)C(CO)O1,
,,1WD4,,,,,,,
,,,AHR:A:601,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:602,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:603,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3AKI,,,,,,,
,,,AH8:A:551,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O,
,,,AH8:A:561,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O,
,,,AH8:A:571,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O,
,,,AH8:A:581,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)N=[N+]=[N-])O)O)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GOL:A:591,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,3AKH,,,,,,,
,,,AHR:A:541,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR AHR:D:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,,AHR AHR:C:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,,AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GOL:A:597,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:599,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,3AKG,,,,,,,
,,,AHR:A:551,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:581,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GOL:A:591,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:597,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2VRQ,,,,,,,
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,XYP XYP AHR:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1O)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR XYP:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,,,XYP XYP AHR XYP:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1OC1C(O)C(O)C(O)CO1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4N2Z,,,,,,,
,,,1PE:A:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EPE:A:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC BGC BGC:B:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,5JOX,,,,,,,
,,,EDG:B:601,valid,Kd,=,35,uM,C1[C@@H]([C@H]([C@@H](N1)CO)O)O,
,,,EDG:A:601,valid,Kd,=,35,uM,C1[C@@H]([C@H]([C@@H](N1)CO)O)O,
,,5JOY,,,,,,,
,,,6LW:B:602,valid,,,,,C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O,
,,,6LW:A:602,valid,,,,,C([C@H]1[C@@H]([C@H](/C(=N/O)/O1)O)O)O,
,,,TRS:A:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3UG4,,,,,,,
,,,AHR:A:487,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:490,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:491,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:492,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:A:493,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:B:487,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:B:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:B:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:B:490,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:B:491,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:C:486,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:C:487,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:C:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:C:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:C:490,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:485,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:490,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:491,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:D:492,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:E:487,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:E:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:E:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:F:487,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:F:488,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:F:489,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:F:490,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,AHR:F:491,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,TRS:A:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:487,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3UG5,,,,,,,
,,,TRS:A:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:485,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:486,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,XYP:A:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:488,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:489,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:488,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:489,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:488,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:488,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:489,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:490,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:E:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:E:488,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:F:487,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3WN0,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CIT:A:504,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FUB:A:503,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,3WN2,,,,,,,
,,,CIT:A:509,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:510,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,XYP XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3)OC2)OC1,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3WN1,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CIT:A:508,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:507,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3A72,,,,,,,
,,,AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3C7F,,,,,,,
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,FMT:A:2055,invalid,,,,,C(=O)O,
,,,FMT:A:2056,invalid,,,,,C(=O)O,
,,,FMT:A:2057,invalid,,,,,C(=O)O,
,,,FMT:A:2058,invalid,,,,,C(=O)O,
,,,FMT:A:2059,invalid,,,,,C(=O)O,
,,,FMT:A:2060,invalid,,,,,C(=O)O,
,,,FMT:A:2061,invalid,,,,,C(=O)O,
,,,GOL:A:1733,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2062,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2063,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2064,invalid,,,,,C(C(CO)O)O,
,,,NA:A:804,Part of Protein,,,,,[Na+],
,,,NA:A:805,Part of Protein,,,,,[Na+],
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,3C7O,,,,,,,
,,,CA:A:488,Part of Protein,,,,,[Ca+2],
,,,FMT:A:2055,invalid,,,,,C(=O)O,
,,,FMT:A:2056,invalid,,,,,C(=O)O,
,,,FMT:A:2057,invalid,,,,,C(=O)O,
,,,FMT:A:2058,invalid,,,,,C(=O)O,
,,,FMT:A:2059,invalid,,,,,C(=O)O,
,,,FMT:A:2060,invalid,,,,,C(=O)O,
,,,FMT:A:2061,invalid,,,,,C(=O)O,
,,,FMT:A:2062,invalid,,,,,C(=O)O,
,,,FMT:A:2063,invalid,,,,,C(=O)O,
,,,FMT:A:2064,invalid,,,,,C(=O)O,
,,,FMT:A:2065,invalid,,,,,C(=O)O,
,,,GOL:A:1733,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1734,invalid,,,,,C(C(CO)O)O,
,,,NA:A:489,Part of Protein,,,,,[Na+],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3C7G,,,,,,,
,,,CA:A:1141,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1733,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1142,Part of Protein,,,,,[Na+],
,,,NA:A:1143,Part of Protein,,,,,[Na+],
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,Family. Representative Entry is ,1QW9,,,,,,,
,,,KHP:A:1750,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O,
,,,KHP:B:1751,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O,
,,1QW8,,,,,,,
,,,XYP AHR:D:1,valid,,,,,,
,,,XYP AHR:C:1,valid,,,,,,
,Family. Representative Entry is ,4N2R,,,,,,,
,,,AHR:A:403,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,FUB:A:402,valid,,,,,C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,TRS:A:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
3.1.1.41,,,,,,,,,
,Family. Representative Entry is ,5JIB,,,,,,,
,,,OIA:C:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
,,,OIA:E:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
,,,OIA:F:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
,,,OIA:A:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
,,,OIA:B:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
,,,OIA:D:400,valid,,,,,c1ccc2c(c1)[C@@H](C(=O)N2)CC(=O)O,
3.4.21.109,,,,,,,,,
,Family. Representative Entry is ,4O97,,,,,,,
,,,NTX:A:900,valid,Ki,=,3,nM,[H]/N=C(N)/c1cc(ccc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4cc(ccc4)/C(=N/[H])/N,
,,,CYS GLY LEU ARG:B:5,invalid,,,,,,
,,3P8G,,,,,,,
,,,BEN:A:1002,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,GSH:A:1001,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EAX,,,,,,,
,,,BEN:A:818,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:A:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GV6,,,,,,,
,,,730:A:1,valid,Ki,=,0.046,uM,[H]/N=C(c1cccc(c1)C[C@@H](C(=O)N2CCC(CC2)CCN/C(=N[H])/N)NS(=O)(=O)c3ccc4ccccc4c3)/N,
,,4R0I,,,,,,,
,,,3KM:A:900,valid,Ki,=,0.3,uM,[H]/N=C(c1cccc(c1)OC[C@@H](C(=O)N2CCC(CC2)CCN)NS(=O)(=O)c3ccc4ccccc4c3)/N,
,,,CYS GLY LEU ARG:B:5,invalid,,,,,,
,,2GV7,,,,,,,
,,,672:A:245,valid,Ki,=,0.014,uM,[H]/N=C(c1cccc(c1)C[C@@H](C(=O)N2CCN(CC2)C(=O)C3CCN(CC3)/C(=N[H])/N)NS(=O)(=O)c4c(cc(cc4C(C)C)C(C)C)C(C)C)/N,
,,4O9V,,,,,,,
,,,NT4:A:900,valid,Ki,=,10,nM,[H]/N=C(N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)NC3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N,
,,,CYS GLY LEU ARG:B:5,invalid,,,,,,
1.4.1.-,,,,,,,,,
,Family. Representative Entry is ,4J4H,,,,,,,
,,,NAI:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:904,Part of Protein,,,,,[Mg+2],
,,,MG:C:904,Part of Protein,,,,,[Mg+2],
,,,MG:D:904,Part of Protein,,,,,[Mg+2],
,,,1J1:C:902,valid,,,,,C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,1J1:B:902,valid,,,,,C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,1J1:A:902,valid,,,,,C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,1J1:D:902,valid,,,,,C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,NA:C:903,Part of Protein,,,,,[Na+],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,NA:B:903,Part of Protein,,,,,[Na+],
,,,NA:D:903,Part of Protein,,,,,[Na+],
,,4Q3E,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,2YJ:B:904,valid,,,,,C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N,
,,,2YJ:A:904,valid,,,,,C(CCN)C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,4Q3B,,,,,,,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:C:906,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:C:905,invalid,,,,,C(CO)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:D:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:C:902,Part of Protein,,,,,[Na+],
,,,PEG:B:915,invalid,,,,,C(COCCO)O,
,,,PEG:B:916,invalid,,,,,C(COCCO)O,
,,,PEG:B:914,invalid,,,,,C(COCCO)O,
,,,2YF:D:904,valid,,,,,C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YF:A:904,valid,,,,,C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YF:B:904,valid,,,,,C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YF:C:904,valid,,,,,C1CC=N[C@H](C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,NAI:D:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,4Q3D,,,,,,,
,,,PEG:A:906,invalid,,,,,C(COCCO)O,
,,,PEG:A:905,invalid,,,,,C(COCCO)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:D:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:C:902,Part of Protein,,,,,[Na+],
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,NAD:D:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,2YH:C:904,valid,,,,,C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN,
,,,2YH:A:904,valid,,,,,C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN,
,,,2YH:D:904,valid,,,,,C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN,
,,,2YH:B:904,valid,,,,,C(C[C@H](C(=O)NCCC[C@@H](C(=O)O)N)N)CN,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,4J4B,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,0TF:B:301,valid,,,,,C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N,
,,,0TF:A:904,valid,,,,,C(CCNC(=O)[C@@H](CCCN)N)C[C@@H](C(=O)O)N,
,,4Q3A,,,,,,,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:D:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:C:902,Part of Protein,,,,,[Na+],
,,,EDO:B:917,invalid,,,,,C(CO)O,
,,,EDO:C:906,invalid,,,,,C(CO)O,
,,,EDO:B:921,invalid,,,,,C(CO)O,
,,,EDO:B:915,invalid,,,,,C(CO)O,
,,,EDO:C:908,invalid,,,,,C(CO)O,
,,,EDO:C:907,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:915,invalid,,,,,C(CO)O,
,,,EDO:B:919,invalid,,,,,C(CO)O,
,,,EDO:B:918,invalid,,,,,C(CO)O,
,,,EDO:B:916,invalid,,,,,C(CO)O,
,,,EDO:B:920,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,2YC:B:904,valid,,,,,C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YC:A:904,valid,,,,,C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YC:C:904,valid,,,,,C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,2YC:D:904,valid,,,,,C[C@H]1CC=N[C@@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,SO4:B:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:913,invalid,,,,,C(COCCO)O,
,,,PEG:B:914,invalid,,,,,C(COCCO)O,
,,,PEG:A:912,invalid,,,,,C(COCCO)O,
,,,NAI:D:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,4J43,,,,,,,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,4Q3C,,,,,,,
,,,PEG:B:906,invalid,,,,,C(COCCO)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:D:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:C:902,Part of Protein,,,,,[Na+],
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,NAD:D:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,2YG:B:904,valid,,,,,C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N,
,,,2YG:C:904,valid,,,,,C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N,
,,,2YG:A:904,valid,,,,,C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N,
,,,2YG:D:904,valid,,,,,C(CCN)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)N,
,,4Q39,,,,,,,
,,,NAI:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,PYL:A:904,valid,,,,,C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,PYL:B:904,valid,,,,,C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)O)N,
,,,PEG:A:908,invalid,,,,,C(COCCO)O,
,,4J49,,,,,,,
,,,NAI:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:904,Part of Protein,,,,,[Mg+2],
,,,NA:B:903,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,1J1:B:902,valid,,,,,C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3NYC,,,,,,,
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IAR:A:1600,valid,,,,,[H]/N=C(CCCN/C(=N/[H])/N)/C(=O)O,
,,3NYE,,,,,,,
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IAR:A:1600,valid,,,,,[H]/N=C(CCCN/C(=N/[H])/N)/C(=O)O,
,,3SM8,,,,,,,
,,,FNK:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(C)C,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,3NYF,,,,,,,
,,,FAD:A:1500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HHI:A:1600,valid,,,,,[H]/N=C(/Cc1cnc[nH]1)C(=O)O,
,Family. Representative Entry is ,4JK3,,,,,,,
,,,NAD:B:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
5.1.99.1,,,,,,,,,
,Family. Representative Entry is ,3GM5,,,,,,,
,,,CIT:A:379,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:A:151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:152,invalid,,,,,[O-]S(=O)(=O)[O-],
1.16.1.1,,,,,,,,,
,Family. Representative Entry is ,1ZK7,,,,,,,
,,,FAD:A:666,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZX9,,,,,,,
,,,FAD:A:666,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.1.1.177,,,,,,,,,
,Family. Representative Entry is ,5TWJ,,,,,,,
,,,SAM:B:201,valid,Kd,=,5.58,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:201,valid,Kd,=,5.58,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:201,valid,Kd,=,5.58,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:201,valid,Kd,=,5.58,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5TWK,,,,,,,
,,,SFG:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
1.1.3.-,,,,,,,,,
,Family. Representative Entry is ,5L6G,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,XYS:A:512,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FAD:A:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,XYP:A:511,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:509,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:510,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5L6F,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,FAD:A:501,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:513,invalid,,,,,C(COCCO)O,
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:F:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:G:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:E:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,Family. Representative Entry is ,2AXR,,,,,,,
,,,ABL:A:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)N1)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O,
,,,FAD:A:504,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:498,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:499,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
3.2.1.21,,,,,,,,,
,Family. Representative Entry is ,5JP0,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5FJJ,,,,,,,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:W:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:S:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:1601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:Z:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MG:D:4001,invalid,,,,,[Mg+2],
,,,MG:C:3001,invalid,,,,,[Mg+2],
,,,MG:A:4001,invalid,,,,,[Mg+2],
,,,MG:A:3002,invalid,,,,,[Mg+2],
,,,CL:D:5001,invalid,,,,,[Cl-],
,,,CL:C:5001,invalid,,,,,[Cl-],
,,,CL:A:6001,invalid,,,,,[Cl-],
,,,CL:B:5001,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:N:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:V:1,invalid,,,,,,
,,,NAG NAG BMA MAN:U:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PEG:C:6001,invalid,,,,,C(COCCO)O,
,,,PEG:B:6001,invalid,,,,,C(COCCO)O,
,,,PEG:A:3001,invalid,,,,,C(COCCO)O,
,,,PEG:D:6001,invalid,,,,,C(COCCO)O,
,,,PEG:A:6002,invalid,,,,,C(COCCO)O,
,,,MAN:J:6,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:O:4,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:S:4,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:H:6,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:N:5,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:M:4,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:6,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:4,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:6,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:S:5,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:T:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:Y:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:A:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN:A:1301,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:X:1,invalid,,,,,,
,,,PO4:A:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4IID,,,,,,,
,,,NAG:B:945,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:946,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:937,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NOJ:A:940,valid,Ki,=,2.4,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:949,valid,Ki,=,2.4,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,MRD:B:948,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:939,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:938,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:B:947,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG NAG BMA MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,4IIF,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CTS:B:948,valid,Ki,=,6.6,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:A:941,valid,Ki,=,6.6,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,NAG:B:943,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:937,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:I:1,invalid,,,,,,
,,,NAG NAG BMA MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MRD:B:945,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:938,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:946,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:947,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:A:939,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:940,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4IIC,,,,,,,
,,,NAG:B:945,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:939,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,IFM:A:944,valid,Ki,=,14,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:B:950,valid,Ki,=,14,uM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MRD:A:940,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:948,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:941,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:946,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:947,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG NAG BMA MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NA:B:949,Part of Protein,,,,,[Na+],
,,,NA:A:943,Part of Protein,,,,,[Na+],
,,,MPD:A:942,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,4IIH,,,,,,,
,,,MRD:A:942,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:949,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:948,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:943,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:941,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:947,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:946,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SGC BGC:R:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SGC BGC:Q:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,4IIE,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NA:A:942,Part of Protein,,,,,[Na+],
,,,NA:B:951,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MRD:A:940,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:949,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:950,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:948,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:939,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:941,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG:B:947,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:938,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:946,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,,CGB:B:952,valid,Ki,=,4600,uM,C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O,
,,,CGB:A:943,valid,Ki,=,4600,uM,C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4IIG,,,,,,,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,BGC:A:942,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:943,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:950,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:951,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MRD:A:940,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:949,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:948,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:941,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:947,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:939,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:946,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:P:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,Family. Representative Entry is ,6R4K,,,,,,,
,,,JSK:B:501,valid,Ki,=,51,uM,[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O,
,,,JSK:A:501,valid,Ki,=,51,uM,[H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O,
,,1UYQ,,,,,,,
,,,G2F:A:501,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,NFG:A:502,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,1BGG,,,,,,,
,,,GCO:B:500,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,,GCO:C:500,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,,GCO:D:500,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,1E4I,,,,,,,
,,,G2F:A:2000,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,NFG:A:3000,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,Family. Representative Entry is ,5JU6,,,,,,,
,,,NAG:C:950,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:943,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:941,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:940,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:940,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:935,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:940,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:942,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:943,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:945,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:930,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:944,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:941,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:X:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:A:1,invalid,,,,,,
,,,NAG NAG BMA MAN:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:V:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:S:1,invalid,,,,,,
,,,NAG NAG BMA:W:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:Z:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN GLC:B:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN GLC:T:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:M:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:U:1,invalid,,,,,,
,,,NAG NAG:Y:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BGC:D:945,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:951,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:945,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:946,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG BMA BMA MAN:P:1,invalid,,,,,,
,,,MAN:B:905,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,2E9L,,,,,,,
,,,BGC:A:1401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3201,invalid,,,,,C(C(CO)O)O,
,,,OLA:A:2001,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PLM:A:1001,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1101,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2ZOX,,,,,,,
,,,GLC:A:470,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:478,invalid,,,,,C(C(CO)O)O,
,,,MG:A:472,Part of Protein,,,,,[Mg+2],
,,,MG:A:473,Part of Protein,,,,,[Mg+2],
,,,OLA:A:476,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PLM:A:475,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:477,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PNG:A:471,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,PO4:A:474,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2E9M,,,,,,,
,,,GAL:A:1402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,OLA:A:2001,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PLM:A:1001,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2X41,,,,,,,
,,,BGC:A:1726,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BR:A:1722,invalid,,,,,[Br-],
,,,BR:A:1723,invalid,,,,,[Br-],
,,,BR:A:1724,invalid,,,,,[Br-],
,,,BR:A:1725,invalid,,,,,[Br-],
,,2X42,,,,,,,
,,,BR:A:1723,invalid,,,,,[Br-],
,,,BR:A:1724,invalid,,,,,[Br-],
,,,BR:A:1725,invalid,,,,,[Br-],
,,,BR:A:1726,invalid,,,,,[Br-],
,,,GLC:A:1722,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3AI0,,,,,,,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,PNW:A:2001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,Family. Representative Entry is ,2CET,,,,,,,
,,,ACT:A:1446,invalid,,,,,CC(=O)[O-],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,PGI:A:1447,valid,Kd,=,9.6,nM,c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,PGI:B:1447,valid,Kd,=,9.6,nM,c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,5N6T,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,8P2:A:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N,
,,,8P2:B:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1O2)O)O)O)[N+]#N,
,,2WBG,,,,,,,
,,,ACT:C:1447,invalid,,,,,CC(=O)[O-],
,,,LGS:A:1446,valid,Ki,=,35.2,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,LGS:B:1446,valid,Ki,=,35.2,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,LGS:C:1446,valid,Ki,=,35.2,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,LGS:D:1446,valid,Ki,=,35.2,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,2J7H,,,,,,,
,,,ACT:A:1448,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1449,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1448,invalid,,,,,CC(=O)[O-],
,,,AZF:A:1446,valid,Kd,=,65,nM,C1[C@H]([C@@H]([C@H](NN1)CO)O)O,
,,,AZF:B:1445,valid,Kd,=,65,nM,C1[C@H]([C@@H]([C@H](NN1)CO)O)O,
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,2J7D,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,GI1:A:1446,valid,Kd,=,74,nM,CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O,
,,,GI1:B:1446,valid,Kd,=,74,nM,CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O)O,
,,1W3J,,,,,,,
,,,OXZ:A:1447,valid,Kd,=,484,nM,C1[C@H]([C@@H]([C@H](ON1)CO)O)O,
,,,OXZ:B:1445,valid,Kd,=,484,nM,C1[C@H]([C@@H]([C@H](ON1)CO)O)O,
,,2J7C,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,IDE:A:1446,valid,Ki,=,10.7,nM,c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,IDE:B:1446,valid,Ki,=,10.7,nM,c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,2J79,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,GTL:A:1446,valid,Kd,=,1.1,uM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O,
,,,GTL:B:1446,valid,Kd,=,1.1,uM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O,
,,2WC3,,,,,,,
,,,AM3:A:1446,valid,Ki,=,0.83,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AM3:B:1446,valid,Ki,=,0.83,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AM3:C:1446,valid,Ki,=,0.83,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AM3:D:1446,valid,Ki,=,0.83,uM,CCCCCCCC/N=C1/N2[C@H](CO1)[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,2J75,,,,,,,
,,,ACT:A:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,NOY:A:1446,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO,
,,,NOY:B:1445,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)O)O)O)CO,
,,2VRJ,,,,,,,
,,,ACT:A:1448,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1449,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1448,invalid,,,,,CC(=O)[O-],
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,NCW:A:1446,valid,Kd,=,0.5,uM,CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O,
,,,NCW:B:1446,valid,Kd,=,0.5,uM,CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O,
,,2J7F,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,GI3:A:1446,valid,Kd,=,445,nM,c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O,
,,,GI3:B:1446,valid,Kd,=,445,nM,c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C(=O)O,
,,2J77,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,NOJ:A:1446,valid,Kd,=,12.9,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:1446,valid,Kd,=,12.9,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,5OSS,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,AEZ:B:505,valid,Kd,=,28.3,uM,c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,1UZ1,,,,,,,
,,,IFL:A:1446,valid,Ki,=,130,nM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,,IFL:B:1445,valid,Ki,=,130,nM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,2CBU,,,,,,,
,,,ACT:A:1448,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1449,invalid,,,,,CC(=O)[O-],
,,,CA:B:1446,Part of Protein,,,,,[Ca+2],
,,,CTS:A:1447,valid,Kd,=,2.1,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:B:1445,valid,Kd,=,2.1,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,2J7G,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,GI4:A:1446,valid,Kd,=,100,nM,c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O,
,,,GI4:B:1446,valid,Kd,=,100,nM,c1c([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)CC(=O)O,
,,5N6S,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:D:502,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,8P5:D:506,invalid,,,,,C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,8P5:A:507,valid,,,,,C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,8P5:C:505,valid,,,,,C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,8P5:B:511,valid,,,,,C(CCN=[N+]=N)CNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:B:513,invalid,,,,,C(COCCO)O,
,,,PGE:B:514,invalid,,,,,C(COCCOCCO)O,
,,,ACT:B:512,invalid,,,,,CC(=O)[O-],
,,,ACT:C:506,invalid,,,,,CC(=O)[O-],
,,2WC4,,,,,,,
,,,ACT:C:1447,invalid,,,,,CC(=O)[O-],
,,,AMF:A:1446,valid,Kd,=,5.1,uM,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AMF:B:1446,valid,Kd,=,5.1,uM,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AMF:C:1446,valid,Kd,=,5.1,uM,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,AMF:D:1446,valid,Kd,=,5.1,uM,CCCCCCCCN=C1N2[C@H](CS1)[C@H]([C@@H]([C@H]([C@@H]2O)O)O)O,
,,,CA:C:1449,Part of Protein,,,,,[Ca+2],
,,,CA:D:1451,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1447,invalid,,,,,C(CO)O,
,,,EDO:C:1448,invalid,,,,,C(CO)O,
,,,EDO:D:1447,invalid,,,,,C(CO)O,
,,,EDO:D:1448,invalid,,,,,C(CO)O,
,,,EDO:D:1449,invalid,,,,,C(CO)O,
,,,EDO:D:1450,invalid,,,,,C(CO)O,
,,2CBV,,,,,,,
,,,ACT:A:1448,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1446,invalid,,,,,CC(=O)[O-],
,,,CGB:A:1447,valid,Kd,=,3.3,uM,C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O,
,,,CGB:B:1445,valid,Kd,=,3.3,uM,C1C[C@]2([C@H]([C@@H]([C@H]([C@@H]1N2)O)O)O)O,
,,1OIF,,,,,,,
,,,IFM:A:1447,valid,Ka,=,51450000,M^-1,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:B:1446,valid,Ka,=,51450000,M^-1,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,2CES,,,,,,,
,,,ACT:A:1446,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1448,invalid,,,,,CC(=O)[O-],
,,,CA:B:1445,Part of Protein,,,,,[Ca+2],
,,,GIM:A:1447,valid,Kd,=,56,nM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,GIM:B:1446,valid,Kd,=,56,nM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,2J7E,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1447,Part of Protein,,,,,[Ca+2],
,,,GI2:A:1446,valid,Kd,=,48,nM,COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,GI2:B:1446,valid,Kd,=,48,nM,COC(=O)Cc1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,2J78,,,,,,,
,,,ACT:A:1449,invalid,,,,,CC(=O)[O-],
,,,CA:A:1447,Part of Protein,,,,,[Ca+2],
,,,CA:A:1448,Part of Protein,,,,,[Ca+2],
,,,CA:B:1445,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1450,invalid,,,,,C(CO)O,
,,,GOX:A:1451,valid,Kd,=,384,nM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,GOX:B:1446,valid,Kd,=,384,nM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,1OIM,,,,,,,
,,,NOJ:A:1447,valid,Ka,=,210000,M^-1,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:1447,valid,Ka,=,210000,M^-1,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,2J7B,,,,,,,
,,,ACT:A:1447,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1447,invalid,,,,,CC(=O)[O-],
,,,CA:B:1448,Part of Protein,,,,,[Ca+2],
,,,NTZ:A:1446,valid,Kd,=,240,nM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:B:1446,valid,Kd,=,240,nM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,Family. Representative Entry is ,3AIQ,,,,,,,
,,,HBO:A:4134,valid,,,,,COc1ccc2c(c1)O[C@H](C(=O)N2O)O,
,,3AIV,,,,,,,
,,,HBO:A:900,valid,,,,,COc1ccc2c(c1)O[C@H](C(=O)N2O)O,
,,3AIR,,,,,,,
,,,DNF:A:800,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,G2F:A:700,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,3AIS,,,,,,,
,,,HBK BGC:A:600,valid,,,,,,
,,3AIW,,,,,,,
,,,DNF:A:800,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,G2F:A:700,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,Family. Representative Entry is ,4PTX,,,,,,,
,,,BGC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CAC:B:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:502,invalid,,,,,C[As](=O)(C)[O-],
,,4PTV,,,,,,,
,,,CS:B:502,invalid,,,,,[Cs+],
,,,CS:A:502,invalid,,,,,[Cs+],
,,,PE4:B:503,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:503,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SGC BGC:C:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SGC BGC:D:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5K6N,,,,,,,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP:A:1000,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,5K6M,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC:A:1000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5K6O,,,,,,,
,,,GAL:A:1000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3GNP,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,SOG:A:1001,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,2CER,,,,,,,
,,,ACT:A:1491,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1492,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1491,invalid,,,,,CC(=O)[O-],
,,,PGI:A:1490,valid,Ki,<,0.6,nM,c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,PGI:B:1490,valid,Ki,<,0.6,nM,c1ccc(cc1)CCc2c[n+]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,5IXE,,,,,,,
,,,14O:B:501,valid,Kd,=,2.3,mM,c1cc2c(cc[nH]2)cc1F,
,,,14O:A:501,valid,Kd,=,2.3,mM,c1cc2c(cc[nH]2)cc1F,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,4EAN,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,IND:A:504,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:B:504,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1UWU,,,,,,,
,,,ACT:A:1491,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1492,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1491,invalid,,,,,CC(=O)[O-],
,,,GOX:A:1490,valid,Ki,=,1.04,uM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,GOX:B:1490,valid,Ki,=,1.04,uM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,1UWT,,,,,,,
,,,ACT:B:1490,invalid,,,,,CC(=O)[O-],
,,,GTL:A:1490,valid,Ki,=,1.08,uM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O,
,,,GTL:B:1491,valid,Ki,=,1.08,uM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1)O)O)O)O,
,,2CEQ,,,,,,,
,,,ACT:A:1490,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1491,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1490,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1491,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1492,invalid,,,,,CC(=O)[O-],
,,,GIM:A:1492,valid,Ki,=,53,nM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,GIM:B:1493,valid,Ki,=,53,nM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,Family. Representative Entry is ,6RJO,,,,,,,
,,,SA0:A:501,valid,,,,,c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,SA0:B:501,valid,,,,,c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,6RJM,,,,,,,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6RK2,,,,,,,
,,,6GR:B:501,valid,,,,,c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O,
,,,6GR:A:501,valid,,,,,c1ccc(c(c1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O,
,Family. Representative Entry is ,5AYI,,,,,,,
,,,NHE:A:501,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,BGC:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1V08,,,,,,,
,,,NTZ:A:1502,valid,Ki,~,1,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:A:1503,valid,Ki,~,1,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:B:1502,valid,Ki,~,1,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,NTZ:B:1503,valid,Ki,~,1,uM,C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,1E56,,,,,,,
,,,BGC HBO:A:513,valid,,,,,,
,,,BGC HBO:B:513,valid,,,,,,
,,1E55,,,,,,,
,,,DHR:A:514,valid,Ki,=,76,uM,c1cc(ccc1[C@@H](C#N)O)O,
,,,DHR:B:514,valid,Ki,=,76,uM,c1cc(ccc1[C@@H](C#N)O)O,
,,,BGC:A:513,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:513,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1E4N,,,,,,,
,,,HBO:A:514,valid,,,,,COc1ccc2c(c1)O[C@H](C(=O)N2O)O,
,,,HBO:B:514,valid,,,,,COc1ccc2c(c1)O[C@H](C(=O)N2O)O,
,,1H49,,,,,,,
,,,HBO BGC:A:1502,valid,,,,,O(C)c1cc2OC(OC3C(O)C(O)C(O)C(CO)O3)C(=O)N(O)c2cc1,
,,,HBO BGC:B:1502,valid,,,,,O(C)c1cc2OC(OC3C(O)C(O)C(O)C(CO)O3)C(=O)N(O)c2cc1,
,Family. Representative Entry is ,5GNX,,,,,,,
,,,PPI:B:502,invalid,,,,,CCC(=O)O,
,,,PPI:A:501,invalid,,,,,CCC(=O)O,
,,,BGC:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,5GNY,,,,,,,
,,,BGC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5GNZ,,,,,,,
,,,BGC:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:I:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:J:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:H:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:K:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:H:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2E40,,,,,,,
,,,LGC:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,Family. Representative Entry is ,3F5K,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,MES:A:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC BGC:D:1,valid,Ki,=,0.024,mM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:C:1,valid,Ki,=,0.024,mM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,7BZM,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GIM:B:501,valid,,,,,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,GIM:A:501,valid,,,,,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,4QLL,,,,,,,
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1005,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC:E:1,valid,Ka,=,2400,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,Ka,=,2400,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,Ka,=,2400,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4QLJ,,,,,,,
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1005,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3F5J,,,,,,,
,,,MES:A:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC:D:1,valid,Ki,=,0.052,mM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,Ki,=,0.052,mM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4QLK,,,,,,,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,BGC BGC BGC BGC:C:1,valid,Ka,=,1800,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,Ka,=,1800,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:E:1,valid,Ka,=,1800,M^-1,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3F5L,,,,,,,
,,,MES:A:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,BGC BGC:C:1,valid,Ki,=,0.191,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Ki,=,0.191,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3PTQ,,,,,,,
,,,GOL:A:3966,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3969,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3970,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3967,invalid,,,,,C(C(CO)O)O,
,,,NFG:A:1001,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,NFG:B:1002,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,ZN:A:487,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3CMJ,,,,,,,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NA:A:10,Part of Protein,,,,,[Na+],
,,,NA:A:11,Part of Protein,,,,,[Na+],
,,,NA:A:12,Part of Protein,,,,,[Na+],
,,,NA:A:13,Part of Protein,,,,,[Na+],
,,,NA:A:14,Part of Protein,,,,,[Na+],
,,,NA:A:15,Part of Protein,,,,,[Na+],
,,,NA:A:16,Part of Protein,,,,,[Na+],
,,,NA:A:17,Part of Protein,,,,,[Na+],
,,,NA:A:2,Part of Protein,,,,,[Na+],
,,,NA:A:3,Part of Protein,,,,,[Na+],
,,,NA:A:4,Part of Protein,,,,,[Na+],
,,,NA:A:483,Part of Protein,,,,,[Na+],
,,,NA:A:484,Part of Protein,,,,,[Na+],
,,,NA:A:485,Part of Protein,,,,,[Na+],
,,,NA:A:486,Part of Protein,,,,,[Na+],
,,,NA:A:487,Part of Protein,,,,,[Na+],
,,,NA:A:5,Part of Protein,,,,,[Na+],
,,,NA:A:6,Part of Protein,,,,,[Na+],
,,,NA:A:7,Part of Protein,,,,,[Na+],
,,,NA:A:8,Part of Protein,,,,,[Na+],
,,,NA:A:9,Part of Protein,,,,,[Na+],
,,,SRT:A:488,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,1V03,,,,,,,
,,,BGC CCN IPH:A:1498,valid,,,,,,
,Family. Representative Entry is ,2O9R,,,,,,,
,,,SGC BGC:B:1,valid,Ki,=,21,mM,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,2O9T,,,,,,,
,,,BGC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5BX3,,,,,,,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,CA:A:917,Part of Protein,,,,,[Ca+2],
,,,EDO:A:918,invalid,,,,,C(CO)O,
,,,NOJ:A:901,valid,Ki,=,0.13,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,5O0S,,,,,,,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,CA:A:910,Part of Protein,,,,,[Ca+2],
,,,9FQ:A:911,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H]2[C@@H]1OS(=O)(=O)O2)O)O)O)O,
,,5BX4,,,,,,,
,,,GIM:A:901,valid,Ki,=,0.34,uM,c1c[n+]2c([nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:920,invalid,,,,,C(CO)O,
,,,CA:A:919,Part of Protein,,,,,[Ca+2],
,,5OST,,,,,,,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,AEZ:A:915,valid,Kd,=,27.3,uM,c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,CL:A:911,invalid,,,,,[Cl-],
,,,CL:A:914,invalid,,,,,[Cl-],
,,,CL:A:913,invalid,,,,,[Cl-],
,,,CL:A:912,invalid,,,,,[Cl-],
,,,CL:A:910,invalid,,,,,[Cl-],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,5BX5,,,,,,,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,BGC:A:901,valid,Ki,=,4,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,CA:A:914,Part of Protein,,,,,[Ca+2],
3.1.3.5,,,,,,,,,
,Family. Representative Entry is ,4NV0,,,,,,,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,MGF:A:404,invalid,,,,,F[Mg-](F)F,
,,,MGF:B:403,invalid,,,,,F[Mg-](F)F,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG7:B:402,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,MG7:A:403,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,4NWI,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CTN:A:402,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CTN:B:402,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,6Z9D,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,QDH:A:604,valid,Ki,=,5,pM,C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,6XUE,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O1H:A:605,valid,ic50,=,19,nM,c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N,
,,,O1H:B:605,valid,ic50,=,19,nM,c1cc(ccc1Cn2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5)C#N,
,,4H2F,,,,,,,
,,,ADN:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,6XUG,,,,,,,
,,,O1Q:B:605,valid,ic50,=,12,nM,Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5,
,,,O1Q:A:605,valid,ic50,=,12,nM,Cc1cccc(c1)n2c(ccn2)c3cc4c(c(c3)Cl)nnn4c5ccc6cn[nH]c6c5,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6TVG,,,,,,,
,,,AP2:A:603,valid,Ki,=,88.4,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,NA:A:604,invalid,,,,,[Na+],
,,6XUQ,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,O1T:A:604,valid,Ki,=,88.4,nM,C[C@@H](c1ccc(cc1)F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,6TWF,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,O05:A:604,valid,Ki,=,184,nM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)N,
,,7JV8,,,,,,,
,,,ZN:C:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:D:601,Part of Protein,,,,,[Zn+2],
,,,ZN:D:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,CA:D:603,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,VPD:B:604,valid,ic50,=,0.25,nM,COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O,
,,,VPD:D:604,valid,ic50,=,0.25,nM,COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O,
,,,VPD:A:604,valid,ic50,=,0.25,nM,COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O,
,,,VPD:C:604,valid,ic50,=,0.25,nM,COC[C@](CO)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(cn2)c(nc(n3)Cl)NC4CCCC4)O)O)P(=O)(O)O,
,,4H2G,,,,,,,
,,,ADN:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,6TW0,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,NYZ:A:603,valid,Ki,=,38.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NC(=O)N=C2N,
,,4H2B,,,,,,,
,,,0XE:A:603,valid,,,,,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,6TWA,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,O02:A:603,valid,Ki,=,15.5,nM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O)NN)N,
,,6Z9B,,,,,,,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,QCQ:A:604,valid,ic50,=,0.7,nM,c1ccc(cc1)CNc2c3c(nc(n2)Cl)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)F,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,4H1Y,,,,,,,
,,,0YQ:P:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C(=O)NCCNC(=O)CN(CC(=O)O)CC(=O)O)O)O,
,,,CA:P:606,Part of Protein,,,,,[Ca+2],
,,,CL:P:605,invalid,,,,,[Cl-],
,,,GOL:P:604,invalid,,,,,C(C(CO)O)O,
,,,ZN:P:601,Part of Protein,,,,,[Zn+2],
,,,ZN:P:602,Part of Protein,,,,,[Zn+2],
,,4H2I,,,,,,,
,,,A12:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4L6C,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,0BT:A:303,valid,Ki,=,2.71,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)I)P(=O)(O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,1Q92,,,,,,,
,,,DRM:A:1001,valid,,,,,C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,1Z4P,,,,,,,
,,,DGP:X:1,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:X:1001,Part of Protein,,,,,[Mg+2],
,,1Z4M,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,U5P:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4NFL,,,,,,,
,,,PEG:A:313,invalid,,,,,C(COCCO)O,
,,,PEG:A:315,invalid,,,,,C(COCCO)O,
,,,PEG:A:316,invalid,,,,,C(COCCO)O,
,,,PEG:A:317,invalid,,,,,C(COCCO)O,
,,,PEG:A:312,invalid,,,,,C(COCCO)O,
,,,PEG:A:318,invalid,,,,,C(COCCO)O,
,,,PEG:A:314,invalid,,,,,C(COCCO)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,2JW:A:303,valid,Ki,=,22.1,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)[N+](=O)[O-])P(=O)(O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,1Q91,,,,,,,
,,,DPB:A:1,valid,Ki,=,70,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]3[C@@H](O2)CO[C@](O3)(c4ccccc4)P(=O)(O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1228,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2JAU,,,,,,,
,,,ATM:A:1230,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:1228,Part of Protein,,,,,[Mg+2],
,,,MG:A:1231,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1229,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1Z4K,,,,,,,
,,,MG:A:229,Part of Protein,,,,,[Mg+2],
,,,T3P:A:4341,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O,
,,2JAW,,,,,,,
,,,BVP:A:1228,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=CBr)COP(=O)(O)O)O,
,,,MG:A:1229,Part of Protein,,,,,[Mg+2],
,,,MG:A:1230,Part of Protein,,,,,[Mg+2],
,,1Z4L,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,TMP:A:1001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,1Z4Q,,,,,,,
,,,D4M:A:1489,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(O)O,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2229,Part of Protein,,,,,[Mg+2],
,,4MWO,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2E2:A:301,valid,Ki,=,7.9,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]3[C@H](O2)CO[C@@](O3)(c4ccc(cc4)C(=O)O)P(=O)(O)O,
,,,K:A:303,Part of Protein,,,,,[K+],
,,,K:A:304,Part of Protein,,,,,[K+],
,,1Z4I,,,,,,,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1228,Part of Protein,,,,,[Mg+2],
,,,UMP:A:1001,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,1Z4J,,,,,,,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,U2P:A:3001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,Family. Representative Entry is ,2PAR,,,,,,,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2PAU,,,,,,,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:B:201,Part of Protein,,,,,[Co+2],
,,,D5M:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,D5M:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1HP1,,,,,,,
,,,ATP:A:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO3:A:602,invalid,,,,,C(=O)([O-])[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,1HPU,,,,,,,
,,,A12:A:1602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:B:1603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:C:1604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:D:1605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:600,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:600,Part of Protein,,,,,[Mn+2],
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,MN:D:600,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,1HO5,,,,,,,
,,,ADN:A:1604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:2604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MN:A:1601,Part of Protein,,,,,[Mn+2],
,,,MN:A:1602,Part of Protein,,,,,[Mn+2],
,,,MN:B:2601,Part of Protein,,,,,[Mn+2],
,,,MN:B:2602,Part of Protein,,,,,[Mn+2],
,,,PO4:A:1603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2603,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2JC9,,,,,,,
,,,ADN:A:1497,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:A:1498,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:A:1489,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1491,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1496,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XJF,,,,,,,
,,,DG2:A:1489,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,2XJE,,,,,,,
,,,ATP:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1492,Part of Protein,,,,,[Mg+2],
,,,MG:A:1493,Part of Protein,,,,,[Mg+2],
,,,U5P:A:1489,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2XCV,,,,,,,
,,,DG2:A:1489,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,,IMP:A:1491,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:1492,Part of Protein,,,,,[Mg+2],
,,2XJD,,,,,,,
,,,ATP:A:1489,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1498,invalid,,,,,[Mg+2],
,,,MG:A:1497,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1496,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6DE2,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XCW,,,,,,,
,,,ATP MG:A:1489,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,IMP:A:1490,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:1498,Part of Protein,,,,,[Mg+2],
,,2XJC,,,,,,,
,,,5GP:A:1489,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,B4P:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1499,Part of Protein,,,,,[Mg+2],
,,6DDZ,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XJB,,,,,,,
,,,DG:A:1491,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DTP:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GOL:A:1489,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1494,Part of Protein,,,,,[Mg+2],
,,,MG:A:1495,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4FE3,,,,,,,
,,,BME:A:301,invalid,,,,,C(CS)O,
,,,BME:A:302,invalid,,,,,C(CS)O,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,U5P:A:305,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,4XJ7,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADN:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,ADE:B:303,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,4XGP,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,ADE:A:303,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,3ZTV,,,,,,,
,,,ADN:A:1600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,GOL:A:1601,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1598,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1599,Part of Protein,,,,,[Zn+2],
,,3ZU0,,,,,,,
,,,A12:A:1598,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,A12:B:1590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,PO4:A:1597,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1595,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1596,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1588,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1589,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5OPM,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DTP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,5OPK,,,,,,,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,DTP:A:514,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:512,Part of Protein,,,,,[Mg+2],
,,,MG:A:513,invalid,,,,,[Mg+2],
,,,PO4:A:510,invalid,,,,,[O-]P(=O)([O-])[O-],
1.14.13.-,,,,,,,,,
,Family. Representative Entry is ,3RMK,,,,,,,
,,,BML:A:1912,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:2056,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:495,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:496,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:1912,valid,,,,,c1cc(ccc1O)Br,
,,,BML:D:1912,valid,,,,,c1cc(ccc1O)Br,
,,,BML:D:496,valid,,,,,c1cc(ccc1O)Br,
,,,BML:D:497,valid,,,,,c1cc(ccc1O)Br,
,,,BML:D:498,valid,,,,,c1cc(ccc1O)Br,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:308,Part of Protein,,,,,[Ca+2],
,,,CA:B:309,Part of Protein,,,,,[Ca+2],
,,,CA:D:1,Part of Protein,,,,,[Ca+2],
,,,CA:E:1,Part of Protein,,,,,[Ca+2],
,,,CA:E:308,Part of Protein,,,,,[Ca+2],
,,,CA:E:309,Part of Protein,,,,,[Ca+2],
,,,CA:E:311,Part of Protein,,,,,[Ca+2],
,,,CA:E:312,Part of Protein,,,,,[Ca+2],
,,,CA:E:313,Part of Protein,,,,,[Ca+2],
,,,CA:E:314,Part of Protein,,,,,[Ca+2],
,,,CA:E:315,Part of Protein,,,,,[Ca+2],
,,,CA:F:1,Part of Protein,,,,,[Ca+2],
,,,CA:F:86,Part of Protein,,,,,[Ca+2],
,,,FE:A:1,Part of Protein,,,,,[Fe+3],
,,,FE:A:494,Part of Protein,,,,,[Fe+3],
,,,FE:D:494,Part of Protein,,,,,[Fe+3],
,,,FE:D:495,Part of Protein,,,,,[Fe+3],
,,,PGE:E:310,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:85,invalid,,,,,C(COCCOCCO)O,
,,5TDS,,,,,,,
,,,FE:D:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,MBN:D:507,valid,,,,,Cc1ccccc1,
,,,MBN:D:504,valid,,,,,Cc1ccccc1,
,,,MBN:A:507,valid,,,,,Cc1ccccc1,
,,,MBN:A:505,valid,,,,,Cc1ccccc1,
,,,MBN:B:405,valid,,,,,Cc1ccccc1,
,,,MBN:A:504,valid,,,,,Cc1ccccc1,
,,,MBN:D:508,valid,,,,,Cc1ccccc1,
,,,MBN:A:506,valid,,,,,Cc1ccccc1,
,,,MBN:D:505,valid,,,,,Cc1ccccc1,
,,,MG:C:101,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,MG:E:402,invalid,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:E:401,invalid,,,,,[Mg+2],
,,,CL:D:506,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4UWM,,,,,,,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,FMN:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5TDU,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,PCR:A:503,valid,,,,,Cc1ccc(cc1)O,
,,3DHH,,,,,,,
,,,1PE:A:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BML:A:503,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:504,valid,,,,,c1cc(ccc1O)Br,
,,,BML:A:507,valid,,,,,c1cc(ccc1O)Br,
,,,BML:B:508,valid,,,,,c1cc(ccc1O)Br,
,,,BML:E:507,valid,,,,,c1cc(ccc1O)Br,
,,,BTB:A:509,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,3Q3O,,,,,,,
,,,1PE:B:309,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,IPH:A:503,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:504,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:505,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:506,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:507,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:308,valid,,,,,c1ccc(cc1)O,
,,3Q14,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,PCR:A:6029,valid,,,,,Cc1ccc(cc1)O,
,,,PCR:E:6029,valid,,,,,Cc1ccc(cc1)O,
,,3Q2A,,,,,,,
,,,CYS:A:508,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,ETE:B:329,invalid,,,,,COCCOCCOCCOCCO,
,,,FE:A:517,Part of Protein,,,,,[Fe+3],
,,,FE:A:518,Part of Protein,,,,,[Fe+3],
,,,P6G:A:523,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PAB:A:519,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,PAB:A:520,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,PAB:A:521,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,PAB:A:522,valid,,,,,c1cc(ccc1C(=O)O)N,
,,,SER:B:327,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,3Q3N,,,,,,,
,,,1PE:A:513,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FE:A:509,Part of Protein,,,,,[Fe+3],
,,,FE:A:510,Part of Protein,,,,,[Fe+3],
,,,NPO:A:511,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:512,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:A:514,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,SER:B:327,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,5TDT,,,,,,,
,,,MBN:A:503,valid,,,,,Cc1ccccc1,
,,,MBN:D:501,valid,,,,,Cc1ccccc1,
,,,MBN:A:504,valid,,,,,Cc1ccccc1,
,,,MBN:D:502,valid,,,,,Cc1ccccc1,
,,,MBN:A:502,valid,,,,,Cc1ccccc1,
,,,FE:A:505,Part of Protein,,,,,[Fe+3],
,,,FE:D:503,Part of Protein,,,,,[Fe+3],
,,,FE:A:506,Part of Protein,,,,,[Fe+3],
,,,FE:D:504,Part of Protein,,,,,[Fe+3],
,,,PER:A:501,invalid,,,,,[O-][O-],
,,3Q3M,,,,,,,
,,,FE:A:509,Part of Protein,,,,,[Fe+3],
,,,FE:A:870,Part of Protein,,,,,[Fe+3],
,,,FE:D:509,Part of Protein,,,,,[Fe+3],
,,,FE:D:510,Part of Protein,,,,,[Fe+3],
,,,Z82:A:510,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:B:328,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:B:329,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:D:511,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:E:104,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:F:328,valid,,,,,c1cc(ccc1C(=O)O)Br,
,,,Z82:H:104,valid,,,,,c1cc(ccc1C(=O)O)Br,
,Family. Representative Entry is ,3ABA,,,,,,,
,,,FLI:A:404,valid,,,,,CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/C[C@H](OC1=O)C)/C)O)O)O)O)O)O)O,
,,,HEM:A:1408,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5IT1,,,,,,,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,2OH:A:402,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,2OH:D:402,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,2OH:B:402,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,2OH:C:402,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,Family. Representative Entry is ,4RQL,,,,,,,
,,,CM5:B:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SNE:B:502,valid,Kd,=,0.08,uM,CC(C)[C@@]12CCC(=C)[C@@H]1C2,
,,,SNE:A:505,valid,Kd,=,0.08,uM,CC(C)[C@@]12CCC(=C)[C@@H]1C2,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,4RRT,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,CM5:B:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3V4:A:502,valid,Kd,=,1.82,uM,CC1=CC[C@H]2[C@@H](C1)C2(C)C,
,,,3V4:B:502,valid,Kd,=,1.82,uM,CC1=CC[C@H]2[C@@H](C1)C2(C)C,
,,4ZV8,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,TMH:A:502,valid,,,,,CC1=CC[C@@H]2C[C@H]1C2(C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5UEC,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,85D:A:505,valid,,,,,CC1([C@@H]2CC=C([C@H]1C2)CBr)C,
,,3IBD,,,,,,,
,,,CM5:A:1001,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:1002,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CPZ:A:501,valid,,,,,c1cc(ccc1c2cnc[nH]2)Cl,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SCN:A:1003,invalid,,,,,C(#N)[S-],
,,,SCN:A:1004,invalid,,,,,C(#N)[S-],
,,,SCN:A:1005,invalid,,,,,C(#N)[S-],
,,,SCN:A:1006,invalid,,,,,C(#N)[S-],
,,5UAP,,,,,,,
,,,CM5:B:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,82S:B:505,valid,,,,,C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br,
,,,82S:A:505,valid,,,,,C[C@@]12CC[C@@H](C1(C)C)C[C@H]2Br,
,,4I91,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,TMH:A:506,valid,Kd,=,0.22,uM,CC1=CC[C@@H]2C[C@H]1C2(C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FRU:A:502,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,5UFG,,,,,,,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:502,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,85D:A:505,valid,,,,,CC1([C@@H]2CC=C([C@H]1C2)CBr)C,
,,3QOA,,,,,,,
,,,3QO:A:501,valid,Kd,=,0.21,uM,c1ccc(cc1)Cc2ccncc2,
,,,CM5:A:604,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:605,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5UDA,,,,,,,
,,,CM5:B:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:503,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:B:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAE:B:502,valid,,,,,CC1(C2CCC1(CC2)C)C,
,,,CAE:A:502,valid,,,,,CC1(C2CCC1(CC2)C)C,
,Family. Representative Entry is ,2RGJ,,,,,,,
,,,FAD:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4TXI,,,,,,,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:702,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2QA1,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,4ICY,,,,,,,
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6JDK,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5K7K,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,6RJ:A:502,valid,ic50,=,36,nM,c1cc(c(cc1S(=O)(=O)Nc2nccs2)C#N)Oc3ccc(cc3c4c[nH]nc4)Cl,
,,5W0C,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,9W6:A:501,valid,,,,,CCOC(=O)NC(=O)c1ccsc1NC(=O)c2nc3cnccc3s2,
,,4NZ2,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,2QJ:B:504,valid,Kd,=,2,uM,C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O,
,,,2QJ:A:504,valid,Kd,=,2,uM,C[C@@](C(=O)Nc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)Br)(C(F)(F)F)O,
,,5X24,,,,,,,
,,,LSN:A:502,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,LSN:A:503,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,K:A:505,invalid,,,,,[K+],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5X23,,,,,,,
,,,K:A:506,invalid,,,,,[K+],
,,,LSN:A:502,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,LSN:A:503,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,LSN:A:504,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1R9O,,,,,,,
,,,FLP:A:501,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5XXI,,,,,,,
,,,HEM:A:504,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LSN:A:502,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,LSN:A:501,valid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,LSN:A:503,invalid,,,,,CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl,
,,,K:A:505,invalid,,,,,[K+],
,Family. Representative Entry is ,3PVT,,,,,,,
,,,3HC:A:310,valid,,,,,CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:250,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:251,invalid,,,,,C(C(CO)O)O,
,,3PW1,,,,,,,
,,,FAQ:A:310,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:250,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:251,invalid,,,,,C(C(CO)O)O,
,,3PVR,,,,,,,
,,,BYC:A:310,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:250,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:251,invalid,,,,,C(C(CO)O)O,
,,3PVY,,,,,,,
,,,COA:A:310,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:249,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:250,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:251,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3T3Z,,,,,,,
,,,9PL:A:501,valid,Ki,=,765,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:B:501,valid,Ki,=,765,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:C:501,valid,Ki,=,765,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,9PL:D:501,valid,Ki,=,765,uM,CC[C@H]1[C@H](COC1=O)Cc2cncn2C,
,,,HEM:A:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:500,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GLC FRU:H:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:G:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
3.1.2.20,,,,,,,,,
,Family. Representative Entry is ,4IEN,,,,,,,
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,COA:D:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:D:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4GAH,,,,,,,
,,,0ET:A:301,valid,Ki,=,0.8,uM,CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,0ET:B:601,valid,Ki,=,0.8,uM,CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,0ET:B:602,valid,Ki,=,0.8,uM,CCCCCCCCC[C@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
2.7.7.27,,,,,,,,,
,Family. Representative Entry is ,1YP4,,,,,,,
,,,ADP:A:557,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:558,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADQ:B:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1023,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5W5R,,,,,,,
,,,PYR:U:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:K:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:I:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:504,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:J:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:503,valid,,,,,CC(=O)C(=O)O,
,,,SO4:O:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:U:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5W5T,,,,,,,
,,,SO4:T:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Z:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Z:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Z:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:Z:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:Z:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,9X7:G:506,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:M:508,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:F:503,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:A:506,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:R:511,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:D:508,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:I:508,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:L:507,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:O:508,valid,,,,,CCOC(=O)C(=O)C,
,,,9X7:Z:506,valid,,,,,CCOC(=O)C(=O)C,
2.6.1.83,,,,,,,,,
,Family. Representative Entry is ,3EI9,,,,,,,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:436,invalid,,,,,C(C(CO)O)O,
,,,PL6:A:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,PL6:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Z1Z,,,,,,,
,,,MLT:A:433,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,PLP:A:500,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3EIB,,,,,,,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EI8,,,,,,,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:437,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:437,invalid,,,,,C(C(CO)O)O,
,,,PL5:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O,
,,,PLP:A:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EI6,,,,,,,
,,,GOL:A:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:435,invalid,,,,,C(C(CO)O)O,
,,,PL4:A:434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O,
,,,PL4:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC[C@@H](C(=O)O)N)C(=O)O)O,
,,,SO4:A:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Z20,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:801,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EI5,,,,,,,
,,,GOL:A:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:436,invalid,,,,,C(C(CO)O)O,
,,,PGU:A:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EIA,,,,,,,
,,,PL6:A:434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,PL6:B:433,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,SO4:A:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.4.23,,,,,,,,,
,Family. Representative Entry is ,2Z3H,,,,,,,
,,,BLO:A:2500,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N,
,,,BLO:B:2501,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N,
,,,BLO:C:2502,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N,
,,,BLO:D:2503,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2004,Part of Protein,,,,,[Zn+2],
,,1WN6,,,,,,,
,,,ARS:A:1005,invalid,,,,,[As],
,,,ARS:B:1006,invalid,,,,,[As],
,,,BST:A:1003,valid,,,,,CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N,
,,,BST:B:1004,valid,,,,,CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C(=N)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,2Z3I,,,,,,,
,,,BLS:A:2500,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N,
,,,BLS:B:2501,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N,
,,,BLS:C:2502,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N,
,,,BLS:D:2503,valid,,,,,[H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N,
,,,CAC:A:3001,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:3002,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:C:3003,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:D:3004,invalid,,,,,C[As](=O)(C)[O-],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2004,Part of Protein,,,,,[Zn+2],
2.4.1.41,,,,,,,,,
,Family. Representative Entry is ,5NDF,,,,,,,
,,,MN:E:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,,MN:F:601,Part of Protein,,,,,[Mn+2],
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:E:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:F:603,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,UDP:E:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,LU2:D:604,valid,Ki,=,1.4,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:A:608,valid,Ki,=,1.4,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:B:604,valid,Ki,=,1.4,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,5FV9,,,,,,,
,,,EDO:E:1576,invalid,,,,,C(CO)O,
,,,EDO:F:1575,invalid,,,,,C(CO)O,
,,,EDO:E:1574,invalid,,,,,C(CO)O,
,,,EDO:F:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1573,invalid,,,,,C(CO)O,
,,,EDO:E:1573,invalid,,,,,C(CO)O,
,,,EDO:F:1573,invalid,,,,,C(CO)O,
,,,EDO:A:1574,invalid,,,,,C(CO)O,
,,,EDO:C:1573,invalid,,,,,C(CO)O,
,,,EDO:A:1572,invalid,,,,,C(CO)O,
,,,EDO:C:1572,invalid,,,,,C(CO)O,
,,,EDO:B:1574,invalid,,,,,C(CO)O,
,,,EDO:A:1573,invalid,,,,,C(CO)O,
,,,EDO:E:1575,invalid,,,,,C(CO)O,
,,,MN:B:1571,Part of Protein,,,,,[Mn+2],
,,,MN:D:1556,Part of Protein,,,,,[Mn+2],
,,,MN:F:1571,Part of Protein,,,,,[Mn+2],
,,,MN:E:1571,Part of Protein,,,,,[Mn+2],
,,,MN:C:1571,Part of Protein,,,,,[Mn+2],
,,,MN:A:1571,Part of Protein,,,,,[Mn+2],
,,,GOL:F:1577,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1576,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1574,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1576,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1575,invalid,,,,,C(C(CO)O)O,
,,,UDP:E:1570,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:1555,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:1570,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:1570,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1572,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1570,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,Y6W:B:1570,valid,Kd,=,254,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,Y6W:E:1572,valid,Kd,=,254,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,Y6W:F:1572,valid,Kd,=,254,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CCC[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,4D0T,,,,,,,
,,,EDO:A:1573,invalid,,,,,C(CO)O,
,,,EDO:B:1572,invalid,,,,,C(CO)O,
,,,EDO:E:1572,invalid,,,,,C(CO)O,
,,,EDO:B:1571,invalid,,,,,C(CO)O,
,,,EDO:C:1573,invalid,,,,,C(CO)O,
,,,EDO:A:1572,invalid,,,,,C(CO)O,
,,,EDO:C:1574,invalid,,,,,C(CO)O,
,,,EDO:D:1573,invalid,,,,,C(CO)O,
,,,EDO:D:1572,invalid,,,,,C(CO)O,
,,,EDO:E:1573,invalid,,,,,C(CO)O,
,,,MN:E:1570,Part of Protein,,,,,[Mn+2],
,,,MN:C:1570,Part of Protein,,,,,[Mn+2],
,,,MN:F:1566,Part of Protein,,,,,[Mn+2],
,,,MN:D:1570,Part of Protein,,,,,[Mn+2],
,,,MN:A:1571,Part of Protein,,,,,[Mn+2],
,,,MN:B:1570,Part of Protein,,,,,[Mn+2],
,,,ASP SER THR THR PRO ALA PRO THR NGA:P:4,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C=O)CCC2)C)CCC1)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CO)C(O)C,
,,,UD2:B:1573,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:F:1567,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:D:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:E:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:A:1574,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UDP:C:1571,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ASP SER THR THR PRO ALA PRO THR:Z:6,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C=O)C(O)C)CCC2)C)CCC1)C(O)C)C(N)C(O)C,
,,4D0Z,,,,,,,
,,,EDO:A:1580,invalid,,,,,C(CO)O,
,,,EDO:B:1576,invalid,,,,,C(CO)O,
,,,EDO:B:1573,invalid,,,,,C(CO)O,
,,,EDO:D:1575,invalid,,,,,C(CO)O,
,,,EDO:A:1577,invalid,,,,,C(CO)O,
,,,EDO:A:1574,invalid,,,,,C(CO)O,
,,,EDO:A:1575,invalid,,,,,C(CO)O,
,,,EDO:E:1572,invalid,,,,,C(CO)O,
,,,EDO:E:1579,invalid,,,,,C(CO)O,
,,,EDO:E:1582,invalid,,,,,C(CO)O,
,,,EDO:E:1570,invalid,,,,,C(CO)O,
,,,EDO:E:1581,invalid,,,,,C(CO)O,
,,,EDO:A:1572,invalid,,,,,C(CO)O,
,,,EDO:A:1579,invalid,,,,,C(CO)O,
,,,EDO:E:1577,invalid,,,,,C(CO)O,
,,,EDO:A:1571,invalid,,,,,C(CO)O,
,,,EDO:D:1573,invalid,,,,,C(CO)O,
,,,EDO:B:1578,invalid,,,,,C(CO)O,
,,,EDO:E:1573,invalid,,,,,C(CO)O,
,,,EDO:E:1576,invalid,,,,,C(CO)O,
,,,EDO:E:1578,invalid,,,,,C(CO)O,
,,,EDO:D:1576,invalid,,,,,C(CO)O,
,,,EDO:A:1573,invalid,,,,,C(CO)O,
,,,EDO:E:1583,invalid,,,,,C(CO)O,
,,,EDO:B:1572,invalid,,,,,C(CO)O,
,,,EDO:A:1576,invalid,,,,,C(CO)O,
,,,EDO:E:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1577,invalid,,,,,C(CO)O,
,,,EDO:D:1577,invalid,,,,,C(CO)O,
,,,EDO:B:1574,invalid,,,,,C(CO)O,
,,,EDO:E:1580,invalid,,,,,C(CO)O,
,,,EDO:E:1571,invalid,,,,,C(CO)O,
,,,EDO:E:1575,invalid,,,,,C(CO)O,
,,,EDO:B:1575,invalid,,,,,C(CO)O,
,,,EDO:A:1578,invalid,,,,,C(CO)O,
,,,EDO:D:1574,invalid,,,,,C(CO)O,
,,,EDO:B:1579,invalid,,,,,C(CO)O,
,,,MN:E:1586,Part of Protein,,,,,[Mn+2],
,,,MN:D:1570,Part of Protein,,,,,[Mn+2],
,,,MN:A:1570,Part of Protein,,,,,[Mn+2],
,,,MN:C:1570,Part of Protein,,,,,[Mn+2],
,,,MN:F:1570,Part of Protein,,,,,[Mn+2],
,,,MN:B:1570,Part of Protein,,,,,[Mn+2],
,,,SER THR CYS PRO ALA ALA:X:5,valid,,,,,SCC(NC(=O)C(NC(=O)C([NH3+])CO)C(O)C)C(=O)N1C(C(=O)NC(C(=O)[NH3+])C)CCC1,
,,,SER THR CYS PRO ALA ALA:Y:5,valid,,,,,SCC(NC(=O)C(NC(=O)C([NH3+])CO)C(O)C)C(=O)N1C(C(=O)NC(C(=O)[NH3+])C)CCC1,
,,,HWU:E:1585,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HWU:B:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HWU:A:1582,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HWU:D:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HWU:F:1571,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,HWU:C:1569,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,BBK:D:1572,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O,
,,,BBK:A:1581,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O,
,,,BBK:E:1584,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O,
,,,BBK:B:1580,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](S[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,6PXU,,,,,,,
,,,A2G:D:102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:C:102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:D:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:C:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,MN:A:610,Part of Protein,,,,,[Mn+2],
,,,MN:A:611,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:615,Part of Protein,,,,,[Mn+2],
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5AJP,,,,,,,
,,,SO4:A:1583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1589,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1590,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1591,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1586,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1573,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1587,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1588,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1577,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1571,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1592,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1578,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1579,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:1572,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1570,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,A2G:B:17,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,2D7I,,,,,,,
,,,MN:A:706,Part of Protein,,,,,[Mn+2],
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGA:A:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,UDP:A:705,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2FFU,,,,,,,
,,,MN:A:600,Part of Protein,,,,,[Mn+2],
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,6E7I,,,,,,,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6H0B,,,,,,,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:617,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:B:619,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:618,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,NGA:F:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:F:102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:B:621,invalid,,,,,C(C(CO)O)O,
,,5NQA,,,,,,,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:636,invalid,,,,,C(CO)O,
,,,EDO:B:624,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:A:629,invalid,,,,,C(CO)O,
,,,EDO:B:630,invalid,,,,,C(CO)O,
,,,EDO:B:619,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:633,invalid,,,,,C(CO)O,
,,,EDO:B:629,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:A:633,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:628,invalid,,,,,C(CO)O,
,,,EDO:A:637,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:630,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:B:625,invalid,,,,,C(CO)O,
,,,EDO:A:620,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:B:622,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:635,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:621,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:621,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:634,invalid,,,,,C(CO)O,
,,,EDO:B:631,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:626,invalid,,,,,C(CO)O,
,,,EDO:A:632,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:628,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:B:617,invalid,,,,,C(CO)O,
,,,EDO:B:627,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:A:631,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:B:632,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:622,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:A:634,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,EDO:B:623,invalid,,,,,C(CO)O,
,,,EDO:B:618,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,GOL:A:643,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:640,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:638,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:642,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:637,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:638,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:635,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:639,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:641,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:636,invalid,,,,,C(C(CO)O)O,
,,,NGA:G:101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:644,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
1.14.13.165,,,,,,,,,
,Family. Representative Entry is ,4LWA,,,,,,,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,Q13:A:902,valid,Kd,=,1.1,uM,Cc1cc(nc(c1)N)COC[C@@H]([C@H](C)OCc2cc(cc(n2)N)C)N,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5G6E,,,,,,,
,,,XH8:A:904,valid,,,,,c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UG9,,,,,,,
,,,1EW:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2ccc(c(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGH,,,,,,,
,,,4V4:A:1367,valid,,,,,Cc1cc(nc(c1)N)CCc2cccc(c2)N(C)CCNC,
,,,H4B:A:1365,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:1364,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:1366,invalid,,,,,[Cl-],
,,2FBZ,,,,,,,
,,,H2B:X:903,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,,HAR:X:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:X:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:X:902,invalid,,,,,[N]=O,
,,5G6B,,,,,,,
,,,M48:A:904,valid,,,,,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,M48:A:905,valid,,,,,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3V,,,,,,,
,,,POL:A:907,invalid,,,,,CCCO,
,,,POL:A:905,invalid,,,,,CCCO,
,,,POL:A:906,invalid,,,,,CCCO,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,RFQ:A:904,valid,,,,,[H]/N=C(/c1cccs1)Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N[H])/c4cccs4)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:902,invalid,,,,,[Cl-],
,,5G6N,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,BTB:A:905,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,8VJ:A:904,valid,,,,,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,4UG5,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFK:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(nc(c3)N)C,
,,4UGR,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,6E5:A:904,valid,,,,,[H]/N=C(/c1cccs1)Nc2cccc(c2)COC[C@@H]3C[C@@H](CN3)OCc4cccc(c4)N/C(=N[H])/c5cccs5,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6K,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,M94:A:904,valid,,,,,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UG8,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW1:A:904,valid,,,,,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGG,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,S5D:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cccc(c2)[C@@H](Cc3cc(cc(n3)N)C)N,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4D7I,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,0GD:A:904,valid,,,,,Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6O,,,,,,,
,,,8VJ:A:905,valid,,,,,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,8VJ:A:904,valid,,,,,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UGQ,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,7LN:A:904,valid,,,,,c1cc(cc(c1)NC(=N)c2cccs2)CO[C@@H](CN)COCc3cccc(c3)/N=C(c4cccs4)/N,
,,4UGW,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HW1:A:904,valid,,,,,Cc1cc(nc(c1)N)CCCCCO[C@H]2CNC[C@H]2Cc3cc(cc(n3)N)C,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6F,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,2SN:A:904,valid,,,,,CN(C)Cc1cccc(c1)NCc2ccc3ccc(nc3c2)N,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6L,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XEB:A:904,valid,,,,,CNCc1cc(ccc1Cl)OCc2ccc3ccc(nc3c2)N,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G69,,,,,,,
,,,POL:A:908,invalid,,,,,CCCO,
,,,POL:A:907,invalid,,,,,CCCO,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,M7K:A:904,valid,,,,,c1cc(cc(c1)F)CNCCc2ccc3ccc(nc3c2)N,
,,4UGS,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H36:A:904,valid,,,,,[H]/N=C(Nc1cc(ccc1)OCCOc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,5G6C,,,,,,,
,,,M48:A:904,valid,,,,,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UGC,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1Q6:A:904,valid,,,,,Cc1cc(nc(c1)N)COC[C@H](CN)OCc2cc(cc(n2)N)C,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGE,,,,,,,
,,,Q15:A:904,valid,,,,,Cc1cc(nc(c1)N)COc2cccc(c2)OCC3CCNCC3,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3K,,,,,,,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:B:908,invalid,,,,,C(COCCO)O,
,,,12S:B:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,12S:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CCc3cc(cc(n3)N)C)CCCN,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:B:903,invalid,,,,,[Cl-],
,,4UG7,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1EV:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)N)C,
,,4UGT,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,UGT:A:904,valid,,,,,c1cc(cc(c1)/N=C(c2cccs2)/N)CO[C@@H]3CCNC3,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGF,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,Q16:A:904,valid,,,,,Cc1cc(nc(c1)N)COC[C@H]2C[C@@H](CN2)OCc3cc(cc(n3)N)C,
,,,POL:A:906,invalid,,,,,CCCO,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4LWB,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,QJ8:A:902,valid,Kd,=,4.4,uM,Cc1cc(nc(c1)N)COC[C@@H]2C[C@H](CN2)OCc3cc(cc(n3)N)C,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:903,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,4UG6,,,,,,,
,,,POL:A:908,invalid,,,,,CCCO,
,,,POL:A:905,invalid,,,,,CCCO,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,XFJ:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCc3cc(cc(n3)N)C,
,,5G6D,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,JHT:A:904,valid,,,,,CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4D7J,,,,,,,
,,,PEG:A:909,invalid,,,,,C(COCCO)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,0GD:A:904,valid,,,,,Cc1cc(nc(c1)N)c2ccc(cc2)CNCCc3cccc(c3)F,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,POL:A:911,invalid,,,,,CCCO,
,,4UGY,,,,,,,
,,,EXI:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)N(C)CCNC,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6A,,,,,,,
,,,M48:A:904,valid,,,,,c1cc(cc(c1)F)CCNCCc2ccc3ccc(nc3c2)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1M7V,,,,,,,
,,,ARG:A:2000,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,THG:A:1999,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,2FC2,,,,,,,
,,,HAR:A:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HAR:A:910,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HBI:A:903,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HBI:B:904,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:902,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:1901,invalid,,,,,[N]=O,
,,,NO:B:1902,invalid,,,,,[N]=O,
,,,NO:B:2903,invalid,,,,,[N]=O,
,,4D3J,,,,,,,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XFN:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N)CCc3cc(cc(n3)N)C,
,,,POL:A:913,invalid,,,,,CCCO,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,PEG:A:912,invalid,,,,,C(COCCO)O,
,,5G6M,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,9M9:A:904,valid,,,,,c1cc(cc(c1)OCc2ccc3ccc(nc3c2)N)CN,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UQR,,,,,,,
,,,PEG:A:909,invalid,,,,,C(COCCO)O,
,,,PEG:A:910,invalid,,,,,C(COCCO)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,POL:A:911,invalid,,,,,CCCO,
,,,NRG:A:904,valid,,,,,[H]/N=C(NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-],
,,4UGL,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,S90:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)N(CCNC)C3CC3,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGM,,,,,,,
,,,1QE:A:804,valid,,,,,[H]/N=C(Nc1cc(ccc1)CCc2cc(ccc2)N/C(=N/[H])/c3sccc3)/c4sccc4,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3O,,,,,,,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,POL:A:905,invalid,,,,,CCCO,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,S97:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3ccc4cc[nH]c4n3,
,,4UGA,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q05:A:904,valid,,,,,Cc1cc(nc(c1)N)COc2cccc(c2)CNCCc3cccc(c3)F,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5G6J,,,,,,,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,M94:A:904,valid,,,,,CNCCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:A:905,invalid,,,,,C(COCCO)O,
,,4UGP,,,,,,,
,,,I5U:A:904,valid,,,,,[H]/N=C(c1cccs1)/Nc2cccc(c2)COC[C@@H](CN)OCc3cccc(c3)/N=C(c4cccs4)/N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGV,,,,,,,
,,,ARG:A:904,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G66,,,,,,,
,,,CL:A:1365,invalid,,,,,[Cl-],
,,,PEG:A:1367,invalid,,,,,C(COCCO)O,
,,,PEG:A:1369,invalid,,,,,C(COCCO)O,
,,,M5K:A:1366,valid,,,,,Cc1cc(nc2c1cccc2)N,
,,,HEM:A:1364,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:1368,invalid,,,,,C(C(CO)O)O,
,,4D3I,,,,,,,
,,,1ET:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)CN)CCc3cc(cc(n3)N)C,
,,,POL:A:907,invalid,,,,,CCCO,
,,,POL:A:906,invalid,,,,,CCCO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,4UGK,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,7S9:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cnc2)CCN(C)C,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3N,,,,,,,
,,,POL:A:909,invalid,,,,,CCCO,
,,,POL:A:910,invalid,,,,,CCCO,
,,,POL:A:906,invalid,,,,,CCCO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,SK6:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)NCCc3ccccn3)C#N,
,,4D3U,,,,,,,
,,,POL:A:907,invalid,,,,,CCCO,
,,,POL:A:909,invalid,,,,,CCCO,
,,,POL:A:906,invalid,,,,,CCCO,
,,,RFQ:A:904,valid,,,,,[H]/N=C(/c1cccs1)Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N[H])/c4cccs4)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,4UGN,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,H49:A:904,valid,,,,,c1cc(cc(c1)NC(=N)c2cccs2)CNC[C@@H]3CCCN3,
,,5G67,,,,,,,
,,,H4B:A:1365,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,POL:A:1371,invalid,,,,,CCCO,
,,,PEG:A:1370,invalid,,,,,C(COCCO)O,
,,,GOL:A:1369,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1368,invalid,,,,,C(C(CO)O)O,
,,,M87:A:1367,valid,,,,,c1cc(cc(c1)F)CCNCc2ccc3ccc(nc3c2)N,
,,,CL:A:1366,invalid,,,,,[Cl-],
,,,HEM:A:1364,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5G6Q,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,BTB:A:905,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TUE:A:904,valid,,,,,C=NCc1cc(cnc1)OCc2ccc3ccc(nc3c2)N,
,,4UGX,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:1364,invalid,,,,,[Cl-],
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1366,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,5H4:A:803,valid,,,,,[H]/N=C(c1cccs1)/Nc2cccc(c2)CN(CC)CCc3cccc(c3)F,
,,4D3M,,,,,,,
,,,IVU:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)C#N)CCc3cc(cc(n3)NC)C,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,POL:A:906,invalid,,,,,CCCO,
,,,POL:A:910,invalid,,,,,CCCO,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,4UGJ,,,,,,,
,,,Q1T:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cc(cc(c2)N(C)CCNC)C#N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2FC1,,,,,,,
,,,ARG:A:2000,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,HBI:A:903,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:A:902,invalid,,,,,[N]=O,
,,5G6P,,,,,,,
,,,8VJ:A:905,valid,,,,,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,8VJ:A:904,valid,,,,,CN(C)Cc1ccc(cc1)OCc2ccc3ccc(nc3c2)N,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UGO,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1QF:A:904,valid,,,,,[H]/N=C(c1cccs1)/Nc2ccc(cc2)CCN(CC)Cc3cccc(c3)N/C(=N/[H])/c4cccs4,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6G,,,,,,,
,,,H4B:A:1365,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,HEM:A:1364,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:1366,invalid,,,,,[Cl-],
,,,H8B:A:1367,valid,,,,,CNCc1ccccc1OCc2ccc3ccc(nc3c2)N,
,,4D7H,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,POL:A:907,invalid,,,,,CCCO,
,,,M46:A:904,valid,,,,,c1cc(cc(c1)F)CCCNCCc2ccc3ccc(nc3c2)N,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UQS,,,,,,,
,,,INE:A:904,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])[nH]nc2Br,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:A:905,invalid,,,,,C(COCCO)O,
,,5G68,,,,,,,
,,,POL:A:909,invalid,,,,,CCCO,
,,,POL:A:912,invalid,,,,,CCCO,
,,,POL:A:910,invalid,,,,,CCCO,
,,,POL:A:911,invalid,,,,,CCCO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ML6:A:905,valid,,,,,c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N,
,,,ML6:A:904,valid,,,,,c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N,
,,,PEG:A:908,invalid,,,,,C(COCCO)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,BTB:A:906,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CL:A:903,invalid,,,,,[Cl-],
,,1M7Z,,,,,,,
,,,HAR:A:909,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=N)NO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,THG:A:1999,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,4UGB,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,QJ7:A:904,valid,,,,,Cc1cc(nc(c1)N)COc2cc(cnc2)CNCCc3cccc(c3)F,
,,4UGD,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,Q14:A:904,valid,,,,,Cc1cc(nc(c1)N)COCC[C@@H](CN)OCc2cc(cc(n2)N)C,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,5G6I,,,,,,,
,,,M85:A:904,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4D3T,,,,,,,
,,,POL:A:908,invalid,,,,,CCCO,
,,,POL:A:907,invalid,,,,,CCCO,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,RFQ:A:904,valid,,,,,[H]/N=C(/c1cccs1)Nc2cccc(c2)[C@@H](COc3cccc(c3)[N]/C(=N[H])/c4cccs4)O,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,5G65,,,,,,,
,,,CL:A:1365,invalid,,,,,[Cl-],
,,,2AQ:A:1366,valid,,,,,c1ccc2c(c1)ccc(n2)N,
,,,GOL:A:1367,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1368,invalid,,,,,C(COCCO)O,
,,,HEM:A:1364,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5G6H,,,,,,,
,,,M85:A:904,valid,,,,,CNCc1cccc(c1)OCc2ccc3ccc(nc3c2)N,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UGI,,,,,,,
,,,IMD:A:905,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,POL:A:909,invalid,,,,,CCCO,
,,,POL:A:912,invalid,,,,,CCCO,
,,,POL:A:910,invalid,,,,,CCCO,
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,SKO:A:904,valid,,,,,Cc1cc(nc(c1)N)CCc2cccc(n2)N(C)CCNC,
,,4UGU,,,,,,,
,,,H4B:A:902,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,PQW:A:904,valid,,,,,[H]/N=C(/c1cccs1)Nc2cccc(c2)O[C@@H]3C[C@H](NC3)COc4ccc(cc4)N=C(c5cccs5)N,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,HEM:A:901,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
3.5.3.15,,,,,,,,,
,Family. Representative Entry is ,1WDA,,,,,,,
,,,BAG:A:801,valid,,,,,c1ccc(cc1)C(=O)NC(=C(N)O)CCCNC(=N)N,
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
6.3.5.3,,,,,,,,,
,Family. Representative Entry is ,4LGY,,,,,,,
,,,SO4:A:1322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1324,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1326,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1325,invalid,,,,,CC(=O)[O-],
,,,MG:A:1340,invalid,,,,,[Mg+2],
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,MG:A:1337,invalid,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:A:1338,Part of Protein,,,,,[Mg+2],
,,,MG:A:1339,invalid,,,,,[Mg+2],
,,,MG:A:1304,invalid,,,,,[Mg+2],
,,,CL:A:1331,invalid,,,,,[Cl-],
,,,CL:A:1334,invalid,,,,,[Cl-],
,,,CL:A:1332,invalid,,,,,[Cl-],
,,,CL:A:1333,invalid,,,,,[Cl-],
,,,CL:A:1335,invalid,,,,,[Cl-],
,,,CL:A:1336,invalid,,,,,[Cl-],
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1330,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1328,invalid,,,,,C(C(CO)O)O,
,,1T3T,,,,,,,
,,,ADP:A:2005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2006,Part of Protein,,,,,[Mg+2],
,,,MG:A:2007,Part of Protein,,,,,[Mg+2],
,,,MG:A:2008,Part of Protein,,,,,[Mg+2],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6JTA,,,,,,,
,,,GOL:A:1314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1331,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1307,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:1328,invalid,,,,,C(CO)O,
,,,EDO:A:1315,invalid,,,,,C(CO)O,
,,,EDO:A:1312,invalid,,,,,C(CO)O,
,,,EDO:A:1316,invalid,,,,,C(CO)O,
,,,EDO:A:1330,invalid,,,,,C(CO)O,
,,,EDO:A:1319,invalid,,,,,C(CO)O,
,,,EDO:A:1323,invalid,,,,,C(CO)O,
,,,EDO:A:1320,invalid,,,,,C(CO)O,
,,,EDO:A:1318,invalid,,,,,C(CO)O,
,,,EDO:A:1336,invalid,,,,,C(CO)O,
,,,EDO:A:1317,invalid,,,,,C(CO)O,
,,,EDO:A:1313,invalid,,,,,C(CO)O,
,,,EDO:A:1333,invalid,,,,,C(CO)O,
,,,EDO:A:1322,invalid,,,,,C(CO)O,
,,,EDO:A:1329,invalid,,,,,C(CO)O,
,,,EDO:A:1325,invalid,,,,,C(CO)O,
,,,EDO:A:1327,invalid,,,,,C(CO)O,
,,,EDO:A:1337,invalid,,,,,C(CO)O,
,,,EDO:A:1332,invalid,,,,,C(CO)O,
,,,EDO:A:1324,invalid,,,,,C(CO)O,
,,,EDO:A:1334,invalid,,,,,C(CO)O,
,,,EDO:A:1326,invalid,,,,,C(CO)O,
,,,EDO:A:1321,invalid,,,,,C(CO)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:1340,Part of Protein,,,,,[Mg+2],
,,,MG:A:1339,invalid,,,,,[Mg+2],
,,,MG:A:1338,Part of Protein,,,,,[Mg+2],
,,,GLN:A:1302,invalid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6JT8,,,,,,,
,,,EDO:A:1301,invalid,,,,,C(CO)O,
,,,EDO:A:1307,invalid,,,,,C(CO)O,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1310,invalid,,,,,C(CO)O,
,,,EDO:A:1308,invalid,,,,,C(CO)O,
,,,EDO:A:1309,invalid,,,,,C(CO)O,
,,,EDO:A:1306,invalid,,,,,C(CO)O,
,,,EDO:A:1303,invalid,,,,,C(CO)O,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,,,EDO:A:1311,invalid,,,,,C(CO)O,
,,,EDO:A:1302,invalid,,,,,C(CO)O,
,,,GOL:A:1336,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1339,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1334,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1338,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1331,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1340,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1330,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1337,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:1350,Part of Protein,,,,,[Mg+2],
,,,MG:A:1348,Part of Protein,,,,,[Mg+2],
,,,MG:A:1349,invalid,,,,,[Mg+2],
,,,LEU GLY:A:1294,invalid,,,,,,
,,,ADP:A:1312,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6JT9,,,,,,,
,,,CL:A:1325,invalid,,,,,[Cl-],
,,,CL:A:1326,invalid,,,,,[Cl-],
,,,CL:A:1327,invalid,,,,,[Cl-],
,,,GOL:A:1324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1321,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:1316,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4L78,,,,,,,
,,,MN:A:1306,invalid,,,,,[Mn+2],
,,,ACT:A:1328,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1327,invalid,,,,,CC(=O)[O-],
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:A:1305,invalid,,,,,[Mg+2],
,,,MG:A:1304,invalid,,,,,[Mg+2],
,,,SO4:A:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1318,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XE:A:1319,invalid,,,,,[Xe],
,,,XE:A:1322,invalid,,,,,[Xe],
,,,XE:A:1321,invalid,,,,,[Xe],
,,,XE:A:1320,invalid,,,,,[Xe],
,,,XE:A:1323,invalid,,,,,[Xe],
,,,CL:A:1325,invalid,,,,,[Cl-],
,,,CL:A:1324,invalid,,,,,[Cl-],
,,,CL:A:1326,invalid,,,,,[Cl-],
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6JT7,,,,,,,
,,,GOL:A:1559,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1571,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1570,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1572,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1557,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1582,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1565,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1567,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1563,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1579,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1555,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1566,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1562,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1575,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1573,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1577,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1564,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1574,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1580,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1569,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1568,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1581,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1556,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1576,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1578,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:1591,invalid,,,,,C(CO)O,
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,EDO:A:1530,invalid,,,,,C(CO)O,
,,,EDO:A:1505,invalid,,,,,C(CO)O,
,,,EDO:A:1507,invalid,,,,,C(CO)O,
,,,EDO:A:1529,invalid,,,,,C(CO)O,
,,,EDO:A:1528,invalid,,,,,C(CO)O,
,,,EDO:A:1525,invalid,,,,,C(CO)O,
,,,EDO:A:1590,invalid,,,,,C(CO)O,
,,,EDO:A:1519,invalid,,,,,C(CO)O,
,,,EDO:A:1583,invalid,,,,,C(CO)O,
,,,EDO:A:1523,invalid,,,,,C(CO)O,
,,,EDO:A:1595,invalid,,,,,C(CO)O,
,,,EDO:A:1512,invalid,,,,,C(CO)O,
,,,EDO:A:1517,invalid,,,,,C(CO)O,
,,,EDO:A:1586,invalid,,,,,C(CO)O,
,,,EDO:A:1527,invalid,,,,,C(CO)O,
,,,EDO:A:1503,invalid,,,,,C(CO)O,
,,,EDO:A:1513,invalid,,,,,C(CO)O,
,,,EDO:A:1511,invalid,,,,,C(CO)O,
,,,EDO:A:1522,invalid,,,,,C(CO)O,
,,,EDO:A:1515,invalid,,,,,C(CO)O,
,,,EDO:A:1593,invalid,,,,,C(CO)O,
,,,EDO:A:1502,invalid,,,,,C(CO)O,
,,,EDO:A:1584,invalid,,,,,C(CO)O,
,,,EDO:A:1506,invalid,,,,,C(CO)O,
,,,EDO:A:1510,invalid,,,,,C(CO)O,
,,,EDO:A:1514,invalid,,,,,C(CO)O,
,,,EDO:A:1504,invalid,,,,,C(CO)O,
,,,EDO:A:1594,invalid,,,,,C(CO)O,
,,,EDO:A:1589,invalid,,,,,C(CO)O,
,,,EDO:A:1524,invalid,,,,,C(CO)O,
,,,EDO:A:1526,invalid,,,,,C(CO)O,
,,,EDO:A:1588,invalid,,,,,C(CO)O,
,,,EDO:A:1508,invalid,,,,,C(CO)O,
,,,EDO:A:1521,invalid,,,,,C(CO)O,
,,,EDO:A:1518,invalid,,,,,C(CO)O,
,,,EDO:A:1516,invalid,,,,,C(CO)O,
,,,EDO:A:1585,invalid,,,,,C(CO)O,
,,,EDO:A:1592,invalid,,,,,C(CO)O,
,,,EDO:A:1587,invalid,,,,,C(CO)O,
,,,EDO:A:1520,invalid,,,,,C(CO)O,
,,,EDO:A:1509,invalid,,,,,C(CO)O,
,,,SO4:A:1534,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1544,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1542,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1533,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1536,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1537,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IMD:A:1531,invalid,,,,,c1c[nH+]c[nH]1,
,,,MG:A:1552,Part of Protein,,,,,[Mg+2],
,,,MG:A:1553,Part of Protein,,,,,[Mg+2],
,,,MG:A:1554,invalid,,,,,[Mg+2],
,,,ADP:A:1532,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1596,invalid,,,,,[Cl-],
,,,CL:A:1597,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3VIU,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:910,Part of Protein,,,,,[Mg+2],
,,,PEG:A:920,invalid,,,,,C(COCCO)O,
,,,PO4:A:900,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2HS3,,,,,,,
,,,FGR:A:2166,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O,
,,,PO4:A:905,invalid,,,,,[O-]P(=O)([O-])[O-],
3.6.1.5,,,,,,,,,
,Family. Representative Entry is ,5U7W,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADE:A:501,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5U7V,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3AAQ,,,,,,,
,,,ARU:A:1,valid,Ki,=,0.5,mM,CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O,
,,4BRA,,,,,,,
,,,ANP:A:1394,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MES:A:1396,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1395,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:B:1394,invalid,,,,,[Mg+2],
,,,MG:A:1395,invalid,,,,,[Mg+2],
,,,GOL:B:1396,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,4BR7,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,CL:A:1395,invalid,,,,,[Cl-],
,,,AU1:A:1394,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:405,invalid,,,,,[Mg+2],
,,4BRI,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,CL:B:1394,invalid,,,,,[Cl-],
,,,UNP:A:1393,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O,
,,,UNP:B:1395,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O,
,,,MG:A:1394,invalid,,,,,[Mg+2],
,,,MG:B:1396,invalid,,,,,[Mg+2],
,,,MES:A:1395,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4BRL,,,,,,,
,,,CL:A:1397,invalid,,,,,[Cl-],
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,CL:B:1395,invalid,,,,,[Cl-],
,,,GMV:A:1395,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N,
,,,GMV:B:1396,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1397,invalid,,,,,[Mg+2],
,,,MG:A:1396,invalid,,,,,[Mg+2],
,,4BRQ,,,,,,,
,,,MES:A:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PO4:B:1399,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1398,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1398,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1399,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:1400,invalid,,,,,[Cl-],
,,,CL:B:1401,invalid,,,,,[Cl-],
,,,AMP:B:1396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:1396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:B:1400,invalid,,,,,[Mg+2],
,,,MG:A:1401,invalid,,,,,[Mg+2],
,,,MG:A:1402,invalid,,,,,[Mg+2],
,,4BRG,,,,,,,
,,,CL:A:1397,invalid,,,,,[Cl-],
,,,CL:B:1396,invalid,,,,,[Cl-],
,,,NA:A:1396,Part of Protein,,,,,[Na+],
,,,MG:B:1398,invalid,,,,,[Mg+2],
,,,MG:B:1394,invalid,,,,,[Mg+2],
,,,GMP:A:1393,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GNP:B:1397,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MES:A:1395,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1399,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4BRF,,,,,,,
,,,NA:A:1398,Part of Protein,,,,,[Na+],
,,,MG:B:1402,invalid,,,,,[Mg+2],
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,MG:A:1399,Part of Protein,,,,,[Mg+2],
,,,MG:A:1404,Part of Protein,,,,,[Mg+2],
,,,MG:B:1397,invalid,,,,,[Mg+2],
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1403,invalid,,,,,[Cl-],
,,,CL:B:1395,invalid,,,,,[Cl-],
,,,MES:B:1398,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,AMP:B:1399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MOO:B:1396,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO MG :A:1395,invalid,,,,,,
,,,M27:A:1401,invalid,,,,,[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-],
,,,EDO:A:1402,invalid,,,,,C(CO)O,
,,4BRH,,,,,,,
,,,MES:A:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CL:B:1400,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,MG:A:1396,invalid,,,,,[Mg+2],
,,,MG:B:1396,invalid,,,,,[Mg+2],
,,,TMV:A:1395,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O,
,,,TMV:B:1395,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O[V](O)(O)(O)O,
,,,GOL:B:1399,invalid,,,,,C(C(CO)O)O,
,,4BRN,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,CL:A:1397,invalid,,,,,[Cl-],
,,,CL:A:1395,invalid,,,,,[Cl-],
,,,AMP:A:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:1394,invalid,,,,,[Mg+2],
,,,MG:A:1398,Part of Protein,,,,,[Mg+2],
,,,MG:B:1396,invalid,,,,,[Mg+2],
,,4BRC,,,,,,,
,,,AU1:A:1397,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,,,AU1:B:1399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:B:1397,invalid,,,,,[Cl-],
,,,CL:B:1398,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,MES:A:1398,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1400,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG B:1401:0,invalid,,,,,,
,,,MG A:1401:0,invalid,,,,,,
,,4BRE,,,,,,,
,,,MG:A:1397,invalid,,,,,[Mg+2],
,,,MG:A:1397,invalid,,,,,[Mg+2],
,,,NA:A:1395,Part of Protein,,,,,[Na+],
,,,MES:A:1398,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,50T:B:1395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N,
,,,50T:A:1396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[V](O)(O)(O)O)O)O)N,
,,4BRK,,,,,,,
,,,MES:A:1397,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1399,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CL:A:1400,invalid,,,,,[Cl-],
,,,CL:A:1399,invalid,,,,,[Cl-],
,,,CL:B:1396,invalid,,,,,[Cl-],
,,,MG:A:1396,invalid,,,,,[Mg+2],
,,,MG:B:1398,invalid,,,,,[Mg+2],
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,UNP:A:1395,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O,
,,,UNP:B:1397,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O,
,,4BRD,,,,,,,
,,,CL:A:1396,invalid,,,,,[Cl-],
,,,CL:B:1395,invalid,,,,,[Cl-],
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:B:505,invalid,,,,,[Mg+2],
,,,MG:A:1394,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,MG:B:1397,invalid,,,,,[Mg+2],
,,,ANP:A:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1396,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MES:A:1395,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1398,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3AAR,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,1S1D,,,,,,,
,,,ACT:A:2001,invalid,,,,,CC(=O)[O-],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,GP2:A:4001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GP2:B:4002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:5001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:5002,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:5005,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:5007,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:5003,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:5004,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:5006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
3.1.21.1,,,,,,,,,
,Family. Representative Entry is ,2D1K,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1381,Part of Protein,,,,,[Ca+2],
,,,CA:B:1273,Part of Protein,,,,,[Ca+2],
,,,MG:B:1274,Part of Protein,,,,,[Mg+2],
,,,NAG NAG BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,2A3Z,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1381,Part of Protein,,,,,[Ca+2],
,,,CA:B:1273,Part of Protein,,,,,[Ca+2],
,,,FMT:B:1275,invalid,,,,,C(=O)O,
,,,GOL:A:1382,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1384,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1274,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2A40,,,,,,,
,,,ATP:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1381,Part of Protein,,,,,[Ca+2],
,,,CA:B:1273,Part of Protein,,,,,[Ca+2],
,,,CA:D:1382,Part of Protein,,,,,[Ca+2],
,,,CA:E:1272,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1384,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1274,Part of Protein,,,,,[Mg+2],
,,,MG:E:1275,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2A42,,,,,,,
,,,ATP:A:1380,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1381,Part of Protein,,,,,[Ca+2],
,,,CA:B:1272,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1382,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1383,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1384,invalid,,,,,C(C(CO)O)O,
,,,MG:B:1273,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
4.2.2.-,,,,,,,,,
,Family. Representative Entry is ,5O2N,,,,,,,
,,,NAG:A:705,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FLC:A:706,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NDG NAG NAG NAG:B:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,5MPQ,,,,,,,
,,,BLG:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,NHE:A:604,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,5O1J,,,,,,,
,,,ZN:A:706,Part of Protein,,,,,[Zn+2],
,,,ZN:A:707,Part of Protein,,,,,[Zn+2],
,,,ZN:A:705,Part of Protein,,,,,[Zn+2],
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,Z4S NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C2OC1CO2)C,
,Family. Representative Entry is ,5AA4,,,,,,,
,,,6X4:A:1458,valid,,,,,C[C@H](C(=O)N)NC(=O)C(CCCC[NH3+])NC(=O)CC[C@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O,
,Family. Representative Entry is ,4CFP,,,,,,,
,,,CIT:B:1364,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,P6G:A:1365,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,AMV NAG AMU NAG:D:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(OC(C(=O)[O-])C)C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)OC(OC)C1NC(=O)C)C,
,,,AMV NAG AMU NAG:C:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(OC(C(=O)[O-])C)C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)OC(OC)C1NC(=O)C)C,
,,4CHX,,,,,,,
,,,NAG AH0 ALA DGL API DAL DAL:C:1,valid,,,,,O=C([O-])C([NH3+])CCCC(NC(=O)CCC(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C2OC(C1NC(=O)C)OC2)C)C)CO)C(=O)NC(C(=O)NC(CO)C)C,
,Family. Representative Entry is ,2ZUX,,,,,,,
,,,CA:A:629,Part of Protein,,,,,[Ca+2],
,,,CA:A:630,Part of Protein,,,,,[Ca+2],
,,,CA:A:631,Part of Protein,,,,,[Ca+2],
,,,CA:A:632,Part of Protein,,,,,[Ca+2],
,,,CA:A:633,Part of Protein,,,,,[Ca+2],
,,,CA:A:634,Part of Protein,,,,,[Ca+2],
,,,CA:A:635,Part of Protein,,,,,[Ca+2],
,,,CA:A:636,Part of Protein,,,,,[Ca+2],
,,,CA:A:637,Part of Protein,,,,,[Ca+2],
,,,CA:A:638,Part of Protein,,,,,[Ca+2],
,,,CA:B:629,Part of Protein,,,,,[Ca+2],
,,,CA:B:630,Part of Protein,,,,,[Ca+2],
,,,CA:B:631,Part of Protein,,,,,[Ca+2],
,,,CA:B:632,Part of Protein,,,,,[Ca+2],
,,,CA:B:633,Part of Protein,,,,,[Ca+2],
,,,CA:B:634,Part of Protein,,,,,[Ca+2],
,,,CA:B:635,Part of Protein,,,,,[Ca+2],
,,,CA:B:636,Part of Protein,,,,,[Ca+2],
,,,CA:B:637,Part of Protein,,,,,[Ca+2],
,,,CA:B:638,Part of Protein,,,,,[Ca+2],
,,,MPD:A:643,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:642,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,RAM:A:639,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:640,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:641,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:642,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:639,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:640,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:641,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,2Z8S,,,,,,,
,,,ADA ADA:C:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,,,ADA ADA:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,,,CA:A:640,Part of Protein,,,,,[Ca+2],
,,,CA:A:641,Part of Protein,,,,,[Ca+2],
,,,CA:A:642,Part of Protein,,,,,[Ca+2],
,,,CA:A:643,Part of Protein,,,,,[Ca+2],
,,,CA:A:644,Part of Protein,,,,,[Ca+2],
,,,CA:A:645,Part of Protein,,,,,[Ca+2],
,,,CA:A:646,Part of Protein,,,,,[Ca+2],
,,,CA:A:647,Part of Protein,,,,,[Ca+2],
,,,CA:A:648,Part of Protein,,,,,[Ca+2],
,,,CA:A:649,Part of Protein,,,,,[Ca+2],
,,,CA:B:640,Part of Protein,,,,,[Ca+2],
,,,CA:B:641,Part of Protein,,,,,[Ca+2],
,,,CA:B:642,Part of Protein,,,,,[Ca+2],
,,,CA:B:643,Part of Protein,,,,,[Ca+2],
,,,CA:B:644,Part of Protein,,,,,[Ca+2],
,,,CA:B:645,Part of Protein,,,,,[Ca+2],
,,,CA:B:646,Part of Protein,,,,,[Ca+2],
,,,CA:B:647,Part of Protein,,,,,[Ca+2],
,,,CA:B:648,Part of Protein,,,,,[Ca+2],
,,,CA:B:649,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4HJY,,,,,,,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,4HJZ,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,NAG NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,4HJV,,,,,,,
,,,BLG:A:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,BLG:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,BLG:C:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,BLG:D:600,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMU NAG:H:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
,,,AMU NAG:G:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
,,,AMU NAG:F:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
3.4.13.18,,,,,,,,,
,Family. Representative Entry is ,2ZOF,,,,,,,
,,,BES:A:1080,valid,ic50,=,7,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:1081,valid,ic50,=,7,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:B:3001,Part of Protein,,,,,[Mn+2],
,,,MN:B:3002,Part of Protein,,,,,[Mn+2],
,,2ZOG,,,,,,,
,,,BES:A:1080,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:1081,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3002,Part of Protein,,,,,[Zn+2],
3.4.21.75,,,,,,,,,
,Family. Representative Entry is ,4RYD,,,,,,,
,,,NA:B:607,Part of Protein,,,,,[Na+],
,,,NA:D:607,Part of Protein,,,,,[Na+],
,,,NA:E:607,Part of Protein,,,,,[Na+],
,,,NA:F:607,Part of Protein,,,,,[Na+],
,,,NA:C:607,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,FMT:E:601,invalid,,,,,C(=O)O,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,FMT:F:603,invalid,,,,,C(=O)O,
,,,FMT:E:603,invalid,,,,,C(=O)O,
,,,FMT:F:601,invalid,,,,,C(=O)O,
,,,FMT:C:601,invalid,,,,,C(=O)O,
,,,FMT:E:602,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:C:602,invalid,,,,,C(=O)O,
,,,FMT:F:602,invalid,,,,,C(=O)O,
,,,FMT:D:601,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:D:602,invalid,,,,,C(=O)O,
,,,FMT:D:603,invalid,,,,,C(=O)O,
,,,2UE ARG TBG ARG 00S:L:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,2UE ARG TBG ARG 00S:N:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,2UE ARG TBG ARG 00S:J:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,2UE ARG TBG ARG 00S:H:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,2UE ARG TBG ARG 00S:I:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,2UE ARG TBG ARG 00S:K:1,valid,Ki,=,0.0055,nM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH+]=C(N)N)cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,CA:E:605,Part of Protein,,,,,[Ca+2],
,,,CA:D:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:D:605,Part of Protein,,,,,[Ca+2],
,,,CA:F:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:606,Part of Protein,,,,,[Ca+2],
,,,CA:F:605,Part of Protein,,,,,[Ca+2],
,,,CA:D:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:C:605,Part of Protein,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:E:606,Part of Protein,,,,,[Ca+2],
,,,CA:F:606,Part of Protein,,,,,[Ca+2],
,,,CA:E:604,Part of Protein,,,,,[Ca+2],
,,6HZB,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG ARG LYS LYS 00S PTD:B:1,valid,,,,,O=C(NCc1ccc(C(=[NH2+])N)cc1)C(NC(=O)C1NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)CCCC(=O)NCCCC1)CCCC[NH3+],
,,6HZC,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,LYS ARG ARG TBG LYS 00S PTD BVK:B:1,valid,,,,,,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4OMC,,,,,,,
,,,2UC ARG VAL ARG 00S:H:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,2UC ARG VAL ARG 00S:J:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,2UC ARG VAL ARG 00S:L:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,2UC ARG VAL ARG 00S:I:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,2UC ARG VAL ARG 00S:K:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,2UC ARG VAL ARG 00S:N:1,valid,Ki,=,16.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,,CA:C:605,Part of Protein,,,,,[Ca+2],
,,,CA:C:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:607,Part of Protein,,,,,[Ca+2],
,,,CA:D:607,Part of Protein,,,,,[Ca+2],
,,,CA:E:606,Part of Protein,,,,,[Ca+2],
,,,CA:F:606,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:E:607,Part of Protein,,,,,[Ca+2],
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:C:606,Part of Protein,,,,,[Ca+2],
,,,CA:D:605,Part of Protein,,,,,[Ca+2],
,,,CA:D:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:F:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,CA:E:605,Part of Protein,,,,,[Ca+2],
,,,CA:F:605,Part of Protein,,,,,[Ca+2],
,,,FMT:E:603,invalid,,,,,C(=O)O,
,,,FMT:D:602,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:E:604,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:F:604,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:F:601,invalid,,,,,C(=O)O,
,,,FMT:C:601,invalid,,,,,C(=O)O,
,,,FMT:E:602,invalid,,,,,C(=O)O,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:E:601,invalid,,,,,C(=O)O,
,,,FMT:D:603,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:D:601,invalid,,,,,C(=O)O,
,,,FMT:A:601,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,FMT:F:602,invalid,,,,,C(=O)O,
,,,FMT:F:603,invalid,,,,,C(=O)O,
,,,FMT:D:604,invalid,,,,,C(=O)O,
,,,FMT:C:602,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,NA:B:608,Part of Protein,,,,,[Na+],
,,,NA:C:608,Part of Protein,,,,,[Na+],
,,,NA:E:608,Part of Protein,,,,,[Na+],
,,,NA:F:608,Part of Protein,,,,,[Na+],
,,,NA:A:608,Part of Protein,,,,,[Na+],
,,,NA:D:608,Part of Protein,,,,,[Na+],
,,6HZD,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ARG ARG ARG LYS ARG 00S PTD:B:1,valid,,,,,O=C(NCc1ccc(C(=[NH2+])N)cc1)C(NC(=O)C1NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)CCCC(=O)NCCCC1)CCCNC(=[NH2+])N,
,,6HLD,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ALN ARG ARG ARG SLL LYS 00S:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C([NH3+])C=C1C=2C(=CC=C1)CC=CC=2,
,,6EQW,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,BVK ARG TBG ARG 00S:D:1,valid,Ki,=,22.4,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1ccc(C[NH3+])cc1)CCCNC(=[NH2+])N)C(C)(C)C,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,5JXH,,,,,,,
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,2UC ARG VAL ARG 00S:H:1,valid,,,,,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)Cc1cc(C[NH+]=C(N)N)ccc1)CCCNC(=[NH2+])N)C(C)C,
,,6EQX,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,ARG ARG ARG VAL ARG 00S:D:1,valid,Ki,=,33.7,pM,O=C(NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(C)C,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,6HLB,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PHE ALN ARG ARG ARG ARG SLL ARG 00S:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,5MIM,,,,,,,
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,1N:A:609,valid,Ki,=,0.046,uM,[H]/N=C(/N)Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N,
,,,1N:A:610,valid,Ki,=,0.046,uM,[H]/N=C(/N)Nc1ccc(cc1)N[C@H]2C[C@H]([C@@H](C[C@@H]2Oc3ccc(cc3)N/C(=N[H])/N)Oc4ccc(cc4)N/C(=N/[H])/N)N/C(=N/[H])/N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CL:A:608,invalid,,,,,[Cl-],
,,6HLE,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,LYS ARG ARG TBG LYS 00S GEB:B:1,valid,,,,,O=C(NCc1ccc(C(=[NH2+])N)cc1)C1NC(=O)C(C(C)(C)C)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C([NH3+])CCCCNC(=O)CC[NH+]2CC[NH+](CCC(=O)NCCCC1)CC2,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6HZA,,,,,,,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NA:A:606,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,ARG ARG LYS ARG 00S PTD:B:1,valid,,,,,O=C(NCc1ccc(C(=[NH2+])N)cc1)C(NC(=O)C1NC(=O)C(CCCNC(=[NH2+])N)NC(=O)C(CCCNC(=[NH2+])N)NC(=O)CCCC(=O)NCCCC1)CCCNC(=[NH2+])N,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,PO4:A:608,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:609,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6EQV,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,HY1 CIR VAL ARG 00S:D:1,valid,Ki,=,238,nM,O=C(NCCCC(NC(=O)Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NCc1ccc(C(=[NH2+])N)cc1)CCCNC(=[NH2+])N)C(C)C)N,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:606,Part of Protein,,,,,[Na+],
1.13.11.20,,,,,,,,,
,Family. Representative Entry is ,5I0U,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,DCY:A:502,valid,,,,,C([C@H](C(=O)O)N)S,
,,4XFG,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CL:A:503,invalid,,,,,[Cl-],
,,4KWK,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,CSS:A:302,valid,,,,,C([C@@H](C(=O)O)N)SS,
,,4IEV,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4IES,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,2CO:A:502,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,4XFH,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4IET,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,2CO:A:502,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,4XFI,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HCS:A:502,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,4XF0,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CL:A:503,invalid,,,,,[Cl-],
,,3ELN,,,,,,,
,,,2CO:A:580,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,6BPR,,,,,,,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,NO:A:303,invalid,,,,,[N]=O,
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,4XF3,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4JTO,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,6CDN,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYS:A:301,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,FE2:A:302,Part of Protein,,,,,[Fe+2],
,,4IER,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,2CO:A:502,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,6N43,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,NO:A:303,invalid,,,,,[N]=O,
,,,CYS:A:301,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4KWL,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,3SS:A:302,valid,,,,,C(CSS)C(=O)O,
,,4XF1,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4IEW,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,CYS:A:502,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4Z82,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,,6BPX,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,,4PIZ,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HCS:A:502,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,4IEY,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,2CO:A:502,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,4IEU,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,2CO:A:502,valid,,,,,C([C@@H](C(=O)O)N)SOO,
,,6BPS,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,,5I0R,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,DCY:A:502,valid,,,,,C([C@H](C(=O)O)N)S,
,,,CL:A:503,invalid,,,,,[Cl-],
,,4XF4,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HCS:A:502,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,6N42,,,,,,,
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,4PIY,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HCS:A:502,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,4XF9,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,HCS:A:502,valid,,,,,C(CS)[C@@H](C(=O)O)N,
,,6BPV,,,,,,,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CYS:A:302,valid,,,,,C([C@@H](C(=O)O)N)S,
,Family. Representative Entry is ,4QM9,,,,,,,
,,,CYS:A:202,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:202,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,FE:B:201,Part of Protein,,,,,[Fe+3],
,,,FE:A:201,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,7CHJ,,,,,,,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
1.1.3.48,,,,,,,,,
,Family. Representative Entry is ,5K8C,,,,,,,
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.4.1.17,,,,,,,,,
,Family. Representative Entry is ,3CV3,,,,,,,
,,,UDP:A:1081,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2Q6V,,,,,,,
,,,UDP:A:1081,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6IPB,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
3.2.1.23,,,,,,,,,
,Family. Representative Entry is ,4CU7,,,,,,,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,,EDO:A:1994,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:A:2015,invalid,,,,,C(CO)O,
,,,EDO:A:1995,invalid,,,,,C(CO)O,
,,,EDO:A:1997,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:A:2017,invalid,,,,,C(CO)O,
,,,EDO:A:2000,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:1996,invalid,,,,,C(CO)O,
,,,EDO:A:2014,invalid,,,,,C(CO)O,
,,,EDO:A:1999,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:1998,invalid,,,,,C(CO)O,
,,,EDO:A:2016,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:A:2018,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,SO4:A:1988,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1992,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1987,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1989,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1993,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1986,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1991,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GIF:A:1985,valid,Kd,=,26,nM,C1[C@@H]([C@@H]([C@@H](CN1)O)O)CO,
,,4CU8,,,,,,,
,,,EDO:A:2027,invalid,,,,,C(CO)O,
,,,EDO:A:1991,invalid,,,,,C(CO)O,
,,,EDO:A:1992,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:A:1986,invalid,,,,,C(CO)O,
,,,EDO:A:2030,invalid,,,,,C(CO)O,
,,,EDO:A:1993,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2024,invalid,,,,,C(CO)O,
,,,EDO:A:2033,invalid,,,,,C(CO)O,
,,,EDO:A:1994,invalid,,,,,C(CO)O,
,,,EDO:A:2031,invalid,,,,,C(CO)O,
,,,EDO:A:2023,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:A:1987,invalid,,,,,C(CO)O,
,,,EDO:A:2015,invalid,,,,,C(CO)O,
,,,EDO:A:2034,invalid,,,,,C(CO)O,
,,,EDO:A:1995,invalid,,,,,C(CO)O,
,,,EDO:A:1997,invalid,,,,,C(CO)O,
,,,EDO:A:2032,invalid,,,,,C(CO)O,
,,,EDO:A:2029,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,EDO:A:2017,invalid,,,,,C(CO)O,
,,,EDO:A:2000,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:1996,invalid,,,,,C(CO)O,
,,,EDO:A:2028,invalid,,,,,C(CO)O,
,,,EDO:A:2014,invalid,,,,,C(CO)O,
,,,EDO:A:2035,invalid,,,,,C(CO)O,
,,,EDO:A:1999,invalid,,,,,C(CO)O,
,,,EDO:A:1988,invalid,,,,,C(CO)O,
,,,EDO:A:2026,invalid,,,,,C(CO)O,
,,,EDO:A:2022,invalid,,,,,C(CO)O,
,,,EDO:A:1990,invalid,,,,,C(CO)O,
,,,EDO:A:2020,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:1998,invalid,,,,,C(CO)O,
,,,EDO:A:2025,invalid,,,,,C(CO)O,
,,,EDO:A:2016,invalid,,,,,C(CO)O,
,,,EDO:A:1989,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:A:2019,invalid,,,,,C(CO)O,
,,,EDO:A:2021,invalid,,,,,C(CO)O,
,,,EDO:A:2018,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,SO4:A:2037,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2040,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2039,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2036,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2038,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DGJ:A:1985,valid,Ki,=,33.9,uM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,4CUC,,,,,,,
,,,SO4:A:1989,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1987,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1986,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1988,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1991,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MPD:A:1995,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1993,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1996,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1992,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1994,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6MVH,,,,,,,
,,,CA:D:801,Part of Protein,,,,,[Ca+2],
,,,CA:B:801,Part of Protein,,,,,[Ca+2],
,,,CA:C:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,FMN:B:802,valid,Kd,=,0.08,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:802,valid,Kd,=,0.08,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:802,valid,Kd,=,0.08,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:802,valid,Kd,=,0.08,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3VDB,,,,,,,
,,,149:A:2001,valid,Ki,=,3.03,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,Ki,=,3.03,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,Ki,=,3.03,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,Ki,=,3.03,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:B:8020,invalid,,,,,CS(=O)C,
,,,DMS:B:8021,invalid,,,,,CS(=O)C,
,,,DMS:B:8022,invalid,,,,,CS(=O)C,
,,,DMS:B:8023,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:C:8020,invalid,,,,,CS(=O)C,
,,,DMS:C:8021,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3T08,,,,,,,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:A:8019,invalid,,,,,CS(=O)C,
,,,DMS:A:8020,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:C:1024,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,0.91,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,0.91,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,0.91,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,0.91,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,3I3B,,,,,,,
,,,149:A:2001,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:5001,invalid,,,,,CS(=O)C,
,,,DMS:A:5002,invalid,,,,,CS(=O)C,
,,,DMS:A:5003,invalid,,,,,CS(=O)C,
,,,DMS:A:5004,invalid,,,,,CS(=O)C,
,,,DMS:A:5005,invalid,,,,,CS(=O)C,
,,,DMS:A:5006,invalid,,,,,CS(=O)C,
,,,DMS:A:5007,invalid,,,,,CS(=O)C,
,,,DMS:A:5008,invalid,,,,,CS(=O)C,
,,,DMS:A:5009,invalid,,,,,CS(=O)C,
,,,DMS:A:5010,invalid,,,,,CS(=O)C,
,,,DMS:A:5011,invalid,,,,,CS(=O)C,
,,,DMS:A:5012,invalid,,,,,CS(=O)C,
,,,DMS:A:5014,invalid,,,,,CS(=O)C,
,,,DMS:A:5015,invalid,,,,,CS(=O)C,
,,,DMS:A:5016,invalid,,,,,CS(=O)C,
,,,DMS:A:5017,invalid,,,,,CS(=O)C,
,,,DMS:A:5018,invalid,,,,,CS(=O)C,
,,,DMS:A:5019,invalid,,,,,CS(=O)C,
,,,DMS:A:5020,invalid,,,,,CS(=O)C,
,,,DMS:A:5022,invalid,,,,,CS(=O)C,
,,,DMS:A:5023,invalid,,,,,CS(=O)C,
,,,DMS:A:5024,invalid,,,,,CS(=O)C,
,,,DMS:A:5125,invalid,,,,,CS(=O)C,
,,,DMS:A:5126,invalid,,,,,CS(=O)C,
,,,DMS:A:5127,invalid,,,,,CS(=O)C,
,,,DMS:A:5128,invalid,,,,,CS(=O)C,
,,,DMS:A:5129,invalid,,,,,CS(=O)C,
,,,DMS:A:5130,invalid,,,,,CS(=O)C,
,,,DMS:A:5231,invalid,,,,,CS(=O)C,
,,,DMS:A:5232,invalid,,,,,CS(=O)C,
,,,DMS:B:5001,invalid,,,,,CS(=O)C,
,,,DMS:B:5002,invalid,,,,,CS(=O)C,
,,,DMS:B:5003,invalid,,,,,CS(=O)C,
,,,DMS:B:5004,invalid,,,,,CS(=O)C,
,,,DMS:B:5005,invalid,,,,,CS(=O)C,
,,,DMS:B:5006,invalid,,,,,CS(=O)C,
,,,DMS:B:5007,invalid,,,,,CS(=O)C,
,,,DMS:B:5008,invalid,,,,,CS(=O)C,
,,,DMS:B:5009,invalid,,,,,CS(=O)C,
,,,DMS:B:5010,invalid,,,,,CS(=O)C,
,,,DMS:B:5011,invalid,,,,,CS(=O)C,
,,,DMS:B:5012,invalid,,,,,CS(=O)C,
,,,DMS:B:5013,invalid,,,,,CS(=O)C,
,,,DMS:B:5014,invalid,,,,,CS(=O)C,
,,,DMS:B:5015,invalid,,,,,CS(=O)C,
,,,DMS:B:5016,invalid,,,,,CS(=O)C,
,,,DMS:B:5017,invalid,,,,,CS(=O)C,
,,,DMS:B:5018,invalid,,,,,CS(=O)C,
,,,DMS:B:5019,invalid,,,,,CS(=O)C,
,,,DMS:B:5020,invalid,,,,,CS(=O)C,
,,,DMS:B:5021,invalid,,,,,CS(=O)C,
,,,DMS:B:5022,invalid,,,,,CS(=O)C,
,,,DMS:B:5023,invalid,,,,,CS(=O)C,
,,,DMS:B:5024,invalid,,,,,CS(=O)C,
,,,DMS:B:5025,invalid,,,,,CS(=O)C,
,,,DMS:B:5026,invalid,,,,,CS(=O)C,
,,,DMS:B:5027,invalid,,,,,CS(=O)C,
,,,DMS:B:5028,invalid,,,,,CS(=O)C,
,,,DMS:B:5029,invalid,,,,,CS(=O)C,
,,,DMS:B:5034,invalid,,,,,CS(=O)C,
,,,DMS:B:5131,invalid,,,,,CS(=O)C,
,,,DMS:B:5132,invalid,,,,,CS(=O)C,
,,,DMS:B:5133,invalid,,,,,CS(=O)C,
,,,DMS:C:1024,invalid,,,,,CS(=O)C,
,,,DMS:C:5001,invalid,,,,,CS(=O)C,
,,,DMS:C:5002,invalid,,,,,CS(=O)C,
,,,DMS:C:5003,invalid,,,,,CS(=O)C,
,,,DMS:C:5004,invalid,,,,,CS(=O)C,
,,,DMS:C:5005,invalid,,,,,CS(=O)C,
,,,DMS:C:5006,invalid,,,,,CS(=O)C,
,,,DMS:C:5007,invalid,,,,,CS(=O)C,
,,,DMS:C:5008,invalid,,,,,CS(=O)C,
,,,DMS:C:5009,invalid,,,,,CS(=O)C,
,,,DMS:C:5010,invalid,,,,,CS(=O)C,
,,,DMS:C:5011,invalid,,,,,CS(=O)C,
,,,DMS:C:5012,invalid,,,,,CS(=O)C,
,,,DMS:C:5013,invalid,,,,,CS(=O)C,
,,,DMS:C:5014,invalid,,,,,CS(=O)C,
,,,DMS:C:5015,invalid,,,,,CS(=O)C,
,,,DMS:C:5016,invalid,,,,,CS(=O)C,
,,,DMS:C:5017,invalid,,,,,CS(=O)C,
,,,DMS:C:5018,invalid,,,,,CS(=O)C,
,,,DMS:C:5019,invalid,,,,,CS(=O)C,
,,,DMS:C:5020,invalid,,,,,CS(=O)C,
,,,DMS:C:5021,invalid,,,,,CS(=O)C,
,,,DMS:C:5022,invalid,,,,,CS(=O)C,
,,,DMS:C:5023,invalid,,,,,CS(=O)C,
,,,DMS:C:5024,invalid,,,,,CS(=O)C,
,,,DMS:C:5025,invalid,,,,,CS(=O)C,
,,,DMS:C:5027,invalid,,,,,CS(=O)C,
,,,DMS:C:5028,invalid,,,,,CS(=O)C,
,,,DMS:C:5030,invalid,,,,,CS(=O)C,
,,,DMS:C:5031,invalid,,,,,CS(=O)C,
,,,DMS:C:5032,invalid,,,,,CS(=O)C,
,,,DMS:C:5033,invalid,,,,,CS(=O)C,
,,,DMS:C:5134,invalid,,,,,CS(=O)C,
,,,DMS:D:5001,invalid,,,,,CS(=O)C,
,,,DMS:D:5002,invalid,,,,,CS(=O)C,
,,,DMS:D:5003,invalid,,,,,CS(=O)C,
,,,DMS:D:5004,invalid,,,,,CS(=O)C,
,,,DMS:D:5005,invalid,,,,,CS(=O)C,
,,,DMS:D:5006,invalid,,,,,CS(=O)C,
,,,DMS:D:5007,invalid,,,,,CS(=O)C,
,,,DMS:D:5008,invalid,,,,,CS(=O)C,
,,,DMS:D:5009,invalid,,,,,CS(=O)C,
,,,DMS:D:5010,invalid,,,,,CS(=O)C,
,,,DMS:D:5011,invalid,,,,,CS(=O)C,
,,,DMS:D:5012,invalid,,,,,CS(=O)C,
,,,DMS:D:5013,invalid,,,,,CS(=O)C,
,,,DMS:D:5014,invalid,,,,,CS(=O)C,
,,,DMS:D:5015,invalid,,,,,CS(=O)C,
,,,DMS:D:5016,invalid,,,,,CS(=O)C,
,,,DMS:D:5017,invalid,,,,,CS(=O)C,
,,,DMS:D:5018,invalid,,,,,CS(=O)C,
,,,DMS:D:5019,invalid,,,,,CS(=O)C,
,,,DMS:D:5020,invalid,,,,,CS(=O)C,
,,,DMS:D:5021,invalid,,,,,CS(=O)C,
,,,DMS:D:5022,invalid,,,,,CS(=O)C,
,,,DMS:D:5023,invalid,,,,,CS(=O)C,
,,,DMS:D:5024,invalid,,,,,CS(=O)C,
,,,DMS:D:5025,invalid,,,,,CS(=O)C,
,,,DMS:D:5026,invalid,,,,,CS(=O)C,
,,,DMS:D:5027,invalid,,,,,CS(=O)C,
,,,DMS:D:5028,invalid,,,,,CS(=O)C,
,,,DMS:D:5229,invalid,,,,,CS(=O)C,
,,,DMS:D:5230,invalid,,,,,CS(=O)C,
,,,MG:A:1024,Part of Protein,,,,,[Mg+2],
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,1JYW,,,,,,,
,,,147:A:2001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:B:2001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:C:2001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:D:2001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8423,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8427,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8415,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8427,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8506,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8406,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8419,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8427,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8425,invalid,,,,,CS(=O)C,
,,,DMS:D:8427,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3105,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3VD9,,,,,,,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:B:8020,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,0.1,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,0.1,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,0.1,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,0.1,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3105,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3105,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,3T09,,,,,,,
,,,149:A:2001,valid,Ki,=,0.16,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,Ki,=,0.16,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,Ki,=,0.16,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,Ki,=,0.16,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:A:8019,invalid,,,,,CS(=O)C,
,,,DMS:A:8020,invalid,,,,,CS(=O)C,
,,,DMS:A:8021,invalid,,,,,CS(=O)C,
,,,DMS:A:8022,invalid,,,,,CS(=O)C,
,,,DMS:A:8023,invalid,,,,,CS(=O)C,
,,,DMS:A:8024,invalid,,,,,CS(=O)C,
,,,DMS:A:8025,invalid,,,,,CS(=O)C,
,,,DMS:A:8026,invalid,,,,,CS(=O)C,
,,,DMS:A:8027,invalid,,,,,CS(=O)C,
,,,DMS:A:8028,invalid,,,,,CS(=O)C,
,,,DMS:A:8029,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:B:8020,invalid,,,,,CS(=O)C,
,,,DMS:B:8021,invalid,,,,,CS(=O)C,
,,,DMS:B:8022,invalid,,,,,CS(=O)C,
,,,DMS:B:8023,invalid,,,,,CS(=O)C,
,,,DMS:B:8024,invalid,,,,,CS(=O)C,
,,,DMS:B:8025,invalid,,,,,CS(=O)C,
,,,DMS:B:8026,invalid,,,,,CS(=O)C,
,,,DMS:B:8027,invalid,,,,,CS(=O)C,
,,,DMS:B:8028,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:C:8020,invalid,,,,,CS(=O)C,
,,,DMS:C:8021,invalid,,,,,CS(=O)C,
,,,DMS:C:8022,invalid,,,,,CS(=O)C,
,,,DMS:C:8023,invalid,,,,,CS(=O)C,
,,,DMS:C:8024,invalid,,,,,CS(=O)C,
,,,DMS:C:8025,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,DMS:D:8016,invalid,,,,,CS(=O)C,
,,,DMS:D:8017,invalid,,,,,CS(=O)C,
,,,DMS:D:8018,invalid,,,,,CS(=O)C,
,,,DMS:D:8019,invalid,,,,,CS(=O)C,
,,,DMS:D:8020,invalid,,,,,CS(=O)C,
,,,DMS:D:8021,invalid,,,,,CS(=O)C,
,,,DMS:D:8022,invalid,,,,,CS(=O)C,
,,,DMS:D:8023,invalid,,,,,CS(=O)C,
,,,DMS:D:8024,invalid,,,,,CS(=O)C,
,,,DMS:D:8025,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3T2Q,,,,,,,
,,,149:A:2001,valid,Ki,=,0.22,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,Ki,=,0.22,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,Ki,=,0.22,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,Ki,=,0.22,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:1024,invalid,,,,,CS(=O)C,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:1024,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,1JYN,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8423,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8503,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8507,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8415,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8419,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8704,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3003,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1JZ7,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8506,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8501,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8425,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8506,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,GAL:A:2001,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:2002,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:2001,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:2002,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:2001,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:2002,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:2001,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:2002,valid,Ki,~,400,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3105,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3CZJ,,,,,,,
,,,149:A:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:A:8603,invalid,,,,,CS(=O)C,
,,,DMS:A:8604,invalid,,,,,CS(=O)C,
,,,DMS:A:8605,invalid,,,,,CS(=O)C,
,,,DMS:A:8606,invalid,,,,,CS(=O)C,
,,,DMS:A:8607,invalid,,,,,CS(=O)C,
,,,DMS:A:8704,invalid,,,,,CS(=O)C,
,,,DMS:A:8708,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8501,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8503,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8505,invalid,,,,,CS(=O)C,
,,,DMS:B:8506,invalid,,,,,CS(=O)C,
,,,DMS:B:8507,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8509,invalid,,,,,CS(=O)C,
,,,DMS:B:8510,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8406,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8422,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8505,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8507,invalid,,,,,CS(=O)C,
,,,DMS:C:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8420,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,DMS:D:8706,invalid,,,,,CS(=O)C,
,,,DMS:D:8709,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3T0D,,,,,,,
,,,149:A:2001,valid,Ki,=,4.3,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,Ki,=,4.3,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,Ki,=,4.3,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,Ki,=,4.3,mM,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:A:8019,invalid,,,,,CS(=O)C,
,,,DMS:A:8020,invalid,,,,,CS(=O)C,
,,,DMS:A:8021,invalid,,,,,CS(=O)C,
,,,DMS:A:8022,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:B:8020,invalid,,,,,CS(=O)C,
,,,DMS:B:8021,invalid,,,,,CS(=O)C,
,,,DMS:B:8022,invalid,,,,,CS(=O)C,
,,,DMS:B:8023,invalid,,,,,CS(=O)C,
,,,DMS:B:8024,invalid,,,,,CS(=O)C,
,,,DMS:B:8025,invalid,,,,,CS(=O)C,
,,,DMS:B:8026,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:C:8020,invalid,,,,,CS(=O)C,
,,,DMS:C:8021,invalid,,,,,CS(=O)C,
,,,DMS:C:8022,invalid,,,,,CS(=O)C,
,,,DMS:C:8023,invalid,,,,,CS(=O)C,
,,,DMS:C:8024,invalid,,,,,CS(=O)C,
,,,DMS:C:8025,invalid,,,,,CS(=O)C,
,,,DMS:C:8026,invalid,,,,,CS(=O)C,
,,,DMS:C:8027,invalid,,,,,CS(=O)C,
,,,DMS:C:8028,invalid,,,,,CS(=O)C,
,,,DMS:C:8029,invalid,,,,,CS(=O)C,
,,,DMS:C:8030,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,DMS:D:8016,invalid,,,,,CS(=O)C,
,,,DMS:D:8017,invalid,,,,,CS(=O)C,
,,,DMS:D:8018,invalid,,,,,CS(=O)C,
,,,DMS:D:8019,invalid,,,,,CS(=O)C,
,,,DMS:D:8020,invalid,,,,,CS(=O)C,
,,,DMS:D:8021,invalid,,,,,CS(=O)C,
,,,DMS:D:8022,invalid,,,,,CS(=O)C,
,,,DMS:D:8023,invalid,,,,,CS(=O)C,
,,,DMS:D:8024,invalid,,,,,CS(=O)C,
,,,DMS:D:8025,invalid,,,,,CS(=O)C,
,,,DMS:D:8026,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,1JZ8,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8418,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8423,invalid,,,,,CS(=O)C,
,,,DMS:A:8424,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8428,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8503,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8506,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8415,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8418,invalid,,,,,CS(=O)C,
,,,DMS:B:8419,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8424,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8428,invalid,,,,,CS(=O)C,
,,,DMS:B:8429,invalid,,,,,CS(=O)C,
,,,DMS:B:8501,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8506,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:B:8706,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8406,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8418,invalid,,,,,CS(=O)C,
,,,DMS:C:8419,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8424,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8429,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8508,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8418,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8420,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8424,invalid,,,,,CS(=O)C,
,,,DMS:D:8425,invalid,,,,,CS(=O)C,
,,,DMS:D:8428,invalid,,,,,CS(=O)C,
,,,DMS:D:8429,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8503,invalid,,,,,CS(=O)C,
,,,DMS:D:8506,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8704,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,TAR:B:2003,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3105,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,GAL BGC:F:2,valid,,,,,,
,,1PX4,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8503,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8506,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8503,invalid,,,,,CS(=O)C,
,,,DMS:D:8506,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,0.59,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,0.59,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,0.59,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,0.59,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3105,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,4DUW,,,,,,,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8024,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8021,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8020,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8023,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8020,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8022,invalid,,,,,CS(=O)C,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8019,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3006,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3006,invalid,,,,,[Mg+2],
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3T0B,,,,,,,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,DMS:D:8016,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,0.05,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,0.05,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,0.05,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,0.05,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,1JZ5,,,,,,,
,,,149:A:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:B:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:C:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,149:D:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8503,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8428,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8503,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,1JYV,,,,,,,
,,,145:A:2001,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:A:2002,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:B:2001,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:B:2002,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:C:2001,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:C:2002,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:D:2001,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,145:D:2002,valid,,,,,c1ccc(c(c1)[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8423,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8503,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8415,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8419,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8508,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8419,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:C:8705,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8420,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8425,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8503,invalid,,,,,CS(=O)C,
,,,DMS:D:8508,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3006,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3105,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,1JYX,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8602,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8501,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8406,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8422,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8506,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8704,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:A:2002,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2002,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,1JZ6,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8425,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8417,invalid,,,,,CS(=O)C,
,,,DMS:C:8419,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:C:8601,invalid,,,,,CS(=O)C,
,,,DMS:C:8602,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8506,invalid,,,,,CS(=O)C,
,,,DMS:D:8701,invalid,,,,,CS(=O)C,
,,,DMS:D:8703,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,GTZ:A:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,GTZ:B:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,GTZ:C:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,GTZ:D:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3005,Part of Protein,,,,,[Mg+2],
,,,MG:A:3105,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3105,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3105,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3005,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,3VD4,,,,,,,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8015,invalid,,,,,CS(=O)C,
,,,DMS:B:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8016,invalid,,,,,CS(=O)C,
,,,DMS:C:8017,invalid,,,,,CS(=O)C,
,,,DMS:C:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8019,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,0.015,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,0.015,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,0.015,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,0.015,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,4DUX,,,,,,,
,,,DMS:D:8004,invalid,,,,,CS(=O)C,
,,,DMS:C:8007,invalid,,,,,CS(=O)C,
,,,DMS:A:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8008,invalid,,,,,CS(=O)C,
,,,DMS:A:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8005,invalid,,,,,CS(=O)C,
,,,DMS:A:8003,invalid,,,,,CS(=O)C,
,,,DMS:C:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8015,invalid,,,,,CS(=O)C,
,,,DMS:C:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8006,invalid,,,,,CS(=O)C,
,,,DMS:C:8014,invalid,,,,,CS(=O)C,
,,,DMS:B:8006,invalid,,,,,CS(=O)C,
,,,DMS:B:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8018,invalid,,,,,CS(=O)C,
,,,DMS:D:8015,invalid,,,,,CS(=O)C,
,,,DMS:A:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8014,invalid,,,,,CS(=O)C,
,,,DMS:D:8009,invalid,,,,,CS(=O)C,
,,,DMS:C:8004,invalid,,,,,CS(=O)C,
,,,DMS:D:8002,invalid,,,,,CS(=O)C,
,,,DMS:A:8006,invalid,,,,,CS(=O)C,
,,,DMS:D:8005,invalid,,,,,CS(=O)C,
,,,DMS:D:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8016,invalid,,,,,CS(=O)C,
,,,DMS:A:8004,invalid,,,,,CS(=O)C,
,,,DMS:B:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8008,invalid,,,,,CS(=O)C,
,,,DMS:B:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8011,invalid,,,,,CS(=O)C,
,,,DMS:D:8013,invalid,,,,,CS(=O)C,
,,,DMS:D:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8010,invalid,,,,,CS(=O)C,
,,,DMS:A:8013,invalid,,,,,CS(=O)C,
,,,DMS:C:8006,invalid,,,,,CS(=O)C,
,,,DMS:A:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8002,invalid,,,,,CS(=O)C,
,,,DMS:C:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8007,invalid,,,,,CS(=O)C,
,,,DMS:B:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8001,invalid,,,,,CS(=O)C,
,,,DMS:C:8012,invalid,,,,,CS(=O)C,
,,,DMS:B:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8005,invalid,,,,,CS(=O)C,
,,,DMS:B:8009,invalid,,,,,CS(=O)C,
,,,DMS:B:8012,invalid,,,,,CS(=O)C,
,,,DMS:D:8011,invalid,,,,,CS(=O)C,
,,,DMS:A:8018,invalid,,,,,CS(=O)C,
,,,DMS:C:8003,invalid,,,,,CS(=O)C,
,,,DMS:B:8004,invalid,,,,,CS(=O)C,
,,,DMS:A:8017,invalid,,,,,CS(=O)C,
,,,DMS:A:8008,invalid,,,,,CS(=O)C,
,,,DMS:D:8007,invalid,,,,,CS(=O)C,
,,,DMS:C:8010,invalid,,,,,CS(=O)C,
,,,DMS:C:8002,invalid,,,,,CS(=O)C,
,,,DMS:D:8003,invalid,,,,,CS(=O)C,
,,,DMS:A:8010,invalid,,,,,CS(=O)C,
,,,DMS:D:8001,invalid,,,,,CS(=O)C,
,,,DMS:A:8015,invalid,,,,,CS(=O)C,
,,,DMS:D:8016,invalid,,,,,CS(=O)C,
,,,DMS:B:8013,invalid,,,,,CS(=O)C,
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,0MK:D:2002,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:B:2003,invalid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:B:2002,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:D:2001,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:C:2002,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:C:2001,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:B:2001,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:A:2001,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,0MK:A:2002,valid,,,,,C1[C@@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,3I3D,,,,,,,
,,,DMS:A:9001,invalid,,,,,CS(=O)C,
,,,DMS:A:9002,invalid,,,,,CS(=O)C,
,,,DMS:A:9003,invalid,,,,,CS(=O)C,
,,,DMS:A:9004,invalid,,,,,CS(=O)C,
,,,DMS:A:9005,invalid,,,,,CS(=O)C,
,,,DMS:A:9006,invalid,,,,,CS(=O)C,
,,,DMS:A:9007,invalid,,,,,CS(=O)C,
,,,DMS:A:9008,invalid,,,,,CS(=O)C,
,,,DMS:A:9009,invalid,,,,,CS(=O)C,
,,,DMS:A:9010,invalid,,,,,CS(=O)C,
,,,DMS:A:9011,invalid,,,,,CS(=O)C,
,,,DMS:A:9012,invalid,,,,,CS(=O)C,
,,,DMS:A:9013,invalid,,,,,CS(=O)C,
,,,DMS:A:9014,invalid,,,,,CS(=O)C,
,,,DMS:A:9015,invalid,,,,,CS(=O)C,
,,,DMS:A:9016,invalid,,,,,CS(=O)C,
,,,DMS:A:9017,invalid,,,,,CS(=O)C,
,,,DMS:A:9018,invalid,,,,,CS(=O)C,
,,,DMS:A:9019,invalid,,,,,CS(=O)C,
,,,DMS:A:9020,invalid,,,,,CS(=O)C,
,,,DMS:A:9021,invalid,,,,,CS(=O)C,
,,,DMS:A:9022,invalid,,,,,CS(=O)C,
,,,DMS:A:9023,invalid,,,,,CS(=O)C,
,,,DMS:A:9024,invalid,,,,,CS(=O)C,
,,,DMS:A:9026,invalid,,,,,CS(=O)C,
,,,DMS:A:9028,invalid,,,,,CS(=O)C,
,,,DMS:A:9029,invalid,,,,,CS(=O)C,
,,,DMS:A:9030,invalid,,,,,CS(=O)C,
,,,DMS:A:9031,invalid,,,,,CS(=O)C,
,,,DMS:A:9032,invalid,,,,,CS(=O)C,
,,,DMS:A:9033,invalid,,,,,CS(=O)C,
,,,DMS:A:9034,invalid,,,,,CS(=O)C,
,,,DMS:A:9035,invalid,,,,,CS(=O)C,
,,,DMS:A:9036,invalid,,,,,CS(=O)C,
,,,DMS:B:9001,invalid,,,,,CS(=O)C,
,,,DMS:B:9002,invalid,,,,,CS(=O)C,
,,,DMS:B:9003,invalid,,,,,CS(=O)C,
,,,DMS:B:9004,invalid,,,,,CS(=O)C,
,,,DMS:B:9005,invalid,,,,,CS(=O)C,
,,,DMS:B:9006,invalid,,,,,CS(=O)C,
,,,DMS:B:9007,invalid,,,,,CS(=O)C,
,,,DMS:B:9008,invalid,,,,,CS(=O)C,
,,,DMS:B:9009,invalid,,,,,CS(=O)C,
,,,DMS:B:9010,invalid,,,,,CS(=O)C,
,,,DMS:B:9011,invalid,,,,,CS(=O)C,
,,,DMS:B:9012,invalid,,,,,CS(=O)C,
,,,DMS:B:9013,invalid,,,,,CS(=O)C,
,,,DMS:B:9014,invalid,,,,,CS(=O)C,
,,,DMS:B:9015,invalid,,,,,CS(=O)C,
,,,DMS:B:9016,invalid,,,,,CS(=O)C,
,,,DMS:B:9017,invalid,,,,,CS(=O)C,
,,,DMS:B:9018,invalid,,,,,CS(=O)C,
,,,DMS:B:9019,invalid,,,,,CS(=O)C,
,,,DMS:B:9020,invalid,,,,,CS(=O)C,
,,,DMS:B:9021,invalid,,,,,CS(=O)C,
,,,DMS:B:9022,invalid,,,,,CS(=O)C,
,,,DMS:B:9023,invalid,,,,,CS(=O)C,
,,,DMS:B:9024,invalid,,,,,CS(=O)C,
,,,DMS:B:9025,invalid,,,,,CS(=O)C,
,,,DMS:B:9026,invalid,,,,,CS(=O)C,
,,,DMS:B:9027,invalid,,,,,CS(=O)C,
,,,DMS:B:9029,invalid,,,,,CS(=O)C,
,,,DMS:B:9030,invalid,,,,,CS(=O)C,
,,,DMS:B:9032,invalid,,,,,CS(=O)C,
,,,DMS:B:9033,invalid,,,,,CS(=O)C,
,,,DMS:B:9034,invalid,,,,,CS(=O)C,
,,,DMS:B:9035,invalid,,,,,CS(=O)C,
,,,DMS:B:9036,invalid,,,,,CS(=O)C,
,,,DMS:B:9037,invalid,,,,,CS(=O)C,
,,,DMS:B:9038,invalid,,,,,CS(=O)C,
,,,DMS:B:9039,invalid,,,,,CS(=O)C,
,,,DMS:B:9040,invalid,,,,,CS(=O)C,
,,,DMS:B:9041,invalid,,,,,CS(=O)C,
,,,DMS:B:9042,invalid,,,,,CS(=O)C,
,,,DMS:B:9043,invalid,,,,,CS(=O)C,
,,,DMS:C:9001,invalid,,,,,CS(=O)C,
,,,DMS:C:9002,invalid,,,,,CS(=O)C,
,,,DMS:C:9003,invalid,,,,,CS(=O)C,
,,,DMS:C:9004,invalid,,,,,CS(=O)C,
,,,DMS:C:9005,invalid,,,,,CS(=O)C,
,,,DMS:C:9006,invalid,,,,,CS(=O)C,
,,,DMS:C:9007,invalid,,,,,CS(=O)C,
,,,DMS:C:9008,invalid,,,,,CS(=O)C,
,,,DMS:C:9009,invalid,,,,,CS(=O)C,
,,,DMS:C:9010,invalid,,,,,CS(=O)C,
,,,DMS:C:9011,invalid,,,,,CS(=O)C,
,,,DMS:C:9013,invalid,,,,,CS(=O)C,
,,,DMS:C:9014,invalid,,,,,CS(=O)C,
,,,DMS:C:9015,invalid,,,,,CS(=O)C,
,,,DMS:C:9016,invalid,,,,,CS(=O)C,
,,,DMS:C:9017,invalid,,,,,CS(=O)C,
,,,DMS:C:9018,invalid,,,,,CS(=O)C,
,,,DMS:C:9019,invalid,,,,,CS(=O)C,
,,,DMS:C:9020,invalid,,,,,CS(=O)C,
,,,DMS:C:9021,invalid,,,,,CS(=O)C,
,,,DMS:C:9022,invalid,,,,,CS(=O)C,
,,,DMS:C:9023,invalid,,,,,CS(=O)C,
,,,DMS:C:9024,invalid,,,,,CS(=O)C,
,,,DMS:C:9025,invalid,,,,,CS(=O)C,
,,,DMS:C:9027,invalid,,,,,CS(=O)C,
,,,DMS:C:9028,invalid,,,,,CS(=O)C,
,,,DMS:C:9029,invalid,,,,,CS(=O)C,
,,,DMS:C:9030,invalid,,,,,CS(=O)C,
,,,DMS:C:9031,invalid,,,,,CS(=O)C,
,,,DMS:C:9032,invalid,,,,,CS(=O)C,
,,,DMS:C:9033,invalid,,,,,CS(=O)C,
,,,DMS:C:9034,invalid,,,,,CS(=O)C,
,,,DMS:C:9035,invalid,,,,,CS(=O)C,
,,,DMS:C:9036,invalid,,,,,CS(=O)C,
,,,DMS:C:9037,invalid,,,,,CS(=O)C,
,,,DMS:C:9038,invalid,,,,,CS(=O)C,
,,,DMS:C:9039,invalid,,,,,CS(=O)C,
,,,DMS:C:9040,invalid,,,,,CS(=O)C,
,,,DMS:C:9041,invalid,,,,,CS(=O)C,
,,,DMS:C:9042,invalid,,,,,CS(=O)C,
,,,DMS:C:9043,invalid,,,,,CS(=O)C,
,,,DMS:C:9044,invalid,,,,,CS(=O)C,
,,,DMS:D:5025,invalid,,,,,CS(=O)C,
,,,DMS:D:5026,invalid,,,,,CS(=O)C,
,,,DMS:D:5027,invalid,,,,,CS(=O)C,
,,,DMS:D:5028,invalid,,,,,CS(=O)C,
,,,DMS:D:5030,invalid,,,,,CS(=O)C,
,,,DMS:D:9001,invalid,,,,,CS(=O)C,
,,,DMS:D:9002,invalid,,,,,CS(=O)C,
,,,DMS:D:9003,invalid,,,,,CS(=O)C,
,,,DMS:D:9004,invalid,,,,,CS(=O)C,
,,,DMS:D:9005,invalid,,,,,CS(=O)C,
,,,DMS:D:9006,invalid,,,,,CS(=O)C,
,,,DMS:D:9007,invalid,,,,,CS(=O)C,
,,,DMS:D:9008,invalid,,,,,CS(=O)C,
,,,DMS:D:9009,invalid,,,,,CS(=O)C,
,,,DMS:D:9010,invalid,,,,,CS(=O)C,
,,,DMS:D:9011,invalid,,,,,CS(=O)C,
,,,DMS:D:9012,invalid,,,,,CS(=O)C,
,,,DMS:D:9013,invalid,,,,,CS(=O)C,
,,,DMS:D:9014,invalid,,,,,CS(=O)C,
,,,DMS:D:9015,invalid,,,,,CS(=O)C,
,,,DMS:D:9016,invalid,,,,,CS(=O)C,
,,,DMS:D:9017,invalid,,,,,CS(=O)C,
,,,DMS:D:9018,invalid,,,,,CS(=O)C,
,,,DMS:D:9019,invalid,,,,,CS(=O)C,
,,,DMS:D:9020,invalid,,,,,CS(=O)C,
,,,DMS:D:9022,invalid,,,,,CS(=O)C,
,,,DMS:D:9023,invalid,,,,,CS(=O)C,
,,,DMS:D:9024,invalid,,,,,CS(=O)C,
,,,DMS:D:9025,invalid,,,,,CS(=O)C,
,,,DMS:D:9026,invalid,,,,,CS(=O)C,
,,,DMS:D:9027,invalid,,,,,CS(=O)C,
,,,DMS:D:9028,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:A:2002,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2002,valid,Ki,=,10.3,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3004,Part of Protein,,,,,[Mg+2],
,,,MG:B:3005,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3004,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3004,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3105,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3104,Part of Protein,,,,,[Na+],
,,3DYO,,,,,,,
,,,DMS:A:8401,invalid,,,,,CS(=O)C,
,,,DMS:A:8402,invalid,,,,,CS(=O)C,
,,,DMS:A:8403,invalid,,,,,CS(=O)C,
,,,DMS:A:8404,invalid,,,,,CS(=O)C,
,,,DMS:A:8405,invalid,,,,,CS(=O)C,
,,,DMS:A:8406,invalid,,,,,CS(=O)C,
,,,DMS:A:8407,invalid,,,,,CS(=O)C,
,,,DMS:A:8408,invalid,,,,,CS(=O)C,
,,,DMS:A:8409,invalid,,,,,CS(=O)C,
,,,DMS:A:8410,invalid,,,,,CS(=O)C,
,,,DMS:A:8411,invalid,,,,,CS(=O)C,
,,,DMS:A:8412,invalid,,,,,CS(=O)C,
,,,DMS:A:8413,invalid,,,,,CS(=O)C,
,,,DMS:A:8414,invalid,,,,,CS(=O)C,
,,,DMS:A:8415,invalid,,,,,CS(=O)C,
,,,DMS:A:8416,invalid,,,,,CS(=O)C,
,,,DMS:A:8417,invalid,,,,,CS(=O)C,
,,,DMS:A:8419,invalid,,,,,CS(=O)C,
,,,DMS:A:8420,invalid,,,,,CS(=O)C,
,,,DMS:A:8421,invalid,,,,,CS(=O)C,
,,,DMS:A:8423,invalid,,,,,CS(=O)C,
,,,DMS:A:8501,invalid,,,,,CS(=O)C,
,,,DMS:A:8502,invalid,,,,,CS(=O)C,
,,,DMS:A:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8401,invalid,,,,,CS(=O)C,
,,,DMS:B:8402,invalid,,,,,CS(=O)C,
,,,DMS:B:8403,invalid,,,,,CS(=O)C,
,,,DMS:B:8404,invalid,,,,,CS(=O)C,
,,,DMS:B:8405,invalid,,,,,CS(=O)C,
,,,DMS:B:8406,invalid,,,,,CS(=O)C,
,,,DMS:B:8407,invalid,,,,,CS(=O)C,
,,,DMS:B:8408,invalid,,,,,CS(=O)C,
,,,DMS:B:8409,invalid,,,,,CS(=O)C,
,,,DMS:B:8410,invalid,,,,,CS(=O)C,
,,,DMS:B:8411,invalid,,,,,CS(=O)C,
,,,DMS:B:8412,invalid,,,,,CS(=O)C,
,,,DMS:B:8413,invalid,,,,,CS(=O)C,
,,,DMS:B:8414,invalid,,,,,CS(=O)C,
,,,DMS:B:8415,invalid,,,,,CS(=O)C,
,,,DMS:B:8416,invalid,,,,,CS(=O)C,
,,,DMS:B:8417,invalid,,,,,CS(=O)C,
,,,DMS:B:8420,invalid,,,,,CS(=O)C,
,,,DMS:B:8421,invalid,,,,,CS(=O)C,
,,,DMS:B:8423,invalid,,,,,CS(=O)C,
,,,DMS:B:8425,invalid,,,,,CS(=O)C,
,,,DMS:B:8427,invalid,,,,,CS(=O)C,
,,,DMS:B:8501,invalid,,,,,CS(=O)C,
,,,DMS:B:8502,invalid,,,,,CS(=O)C,
,,,DMS:B:8504,invalid,,,,,CS(=O)C,
,,,DMS:B:8506,invalid,,,,,CS(=O)C,
,,,DMS:C:8401,invalid,,,,,CS(=O)C,
,,,DMS:C:8402,invalid,,,,,CS(=O)C,
,,,DMS:C:8403,invalid,,,,,CS(=O)C,
,,,DMS:C:8404,invalid,,,,,CS(=O)C,
,,,DMS:C:8405,invalid,,,,,CS(=O)C,
,,,DMS:C:8407,invalid,,,,,CS(=O)C,
,,,DMS:C:8408,invalid,,,,,CS(=O)C,
,,,DMS:C:8409,invalid,,,,,CS(=O)C,
,,,DMS:C:8410,invalid,,,,,CS(=O)C,
,,,DMS:C:8411,invalid,,,,,CS(=O)C,
,,,DMS:C:8412,invalid,,,,,CS(=O)C,
,,,DMS:C:8413,invalid,,,,,CS(=O)C,
,,,DMS:C:8414,invalid,,,,,CS(=O)C,
,,,DMS:C:8415,invalid,,,,,CS(=O)C,
,,,DMS:C:8416,invalid,,,,,CS(=O)C,
,,,DMS:C:8420,invalid,,,,,CS(=O)C,
,,,DMS:C:8421,invalid,,,,,CS(=O)C,
,,,DMS:C:8423,invalid,,,,,CS(=O)C,
,,,DMS:C:8425,invalid,,,,,CS(=O)C,
,,,DMS:C:8427,invalid,,,,,CS(=O)C,
,,,DMS:C:8501,invalid,,,,,CS(=O)C,
,,,DMS:C:8502,invalid,,,,,CS(=O)C,
,,,DMS:C:8503,invalid,,,,,CS(=O)C,
,,,DMS:C:8504,invalid,,,,,CS(=O)C,
,,,DMS:D:8401,invalid,,,,,CS(=O)C,
,,,DMS:D:8402,invalid,,,,,CS(=O)C,
,,,DMS:D:8403,invalid,,,,,CS(=O)C,
,,,DMS:D:8404,invalid,,,,,CS(=O)C,
,,,DMS:D:8405,invalid,,,,,CS(=O)C,
,,,DMS:D:8406,invalid,,,,,CS(=O)C,
,,,DMS:D:8407,invalid,,,,,CS(=O)C,
,,,DMS:D:8408,invalid,,,,,CS(=O)C,
,,,DMS:D:8409,invalid,,,,,CS(=O)C,
,,,DMS:D:8410,invalid,,,,,CS(=O)C,
,,,DMS:D:8411,invalid,,,,,CS(=O)C,
,,,DMS:D:8412,invalid,,,,,CS(=O)C,
,,,DMS:D:8413,invalid,,,,,CS(=O)C,
,,,DMS:D:8414,invalid,,,,,CS(=O)C,
,,,DMS:D:8415,invalid,,,,,CS(=O)C,
,,,DMS:D:8416,invalid,,,,,CS(=O)C,
,,,DMS:D:8417,invalid,,,,,CS(=O)C,
,,,DMS:D:8419,invalid,,,,,CS(=O)C,
,,,DMS:D:8421,invalid,,,,,CS(=O)C,
,,,DMS:D:8423,invalid,,,,,CS(=O)C,
,,,DMS:D:8501,invalid,,,,,CS(=O)C,
,,,DMS:D:8503,invalid,,,,,CS(=O)C,
,,,DMS:D:8705,invalid,,,,,CS(=O)C,
,,,IPT:A:2001,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:A:2002,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:A:2003,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2001,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2003,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:2004,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2001,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2003,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:C:2004,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2001,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2002,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:D:2003,valid,Ki,=,5,mM,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:A:3002,Part of Protein,,,,,[Mg+2],
,,,MG:A:3003,Part of Protein,,,,,[Mg+2],
,,,MG:A:3012,Part of Protein,,,,,[Mg+2],
,,,MG:B:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3007,Part of Protein,,,,,[Mg+2],
,,,MG:B:3011,Part of Protein,,,,,[Mg+2],
,,,MG:C:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,,,MG:C:3003,Part of Protein,,,,,[Mg+2],
,,,MG:D:3001,Part of Protein,,,,,[Mg+2],
,,,MG:D:3002,Part of Protein,,,,,[Mg+2],
,,,MG:D:3003,Part of Protein,,,,,[Mg+2],
,,,NA:A:3101,Part of Protein,,,,,[Na+],
,,,NA:A:3102,Part of Protein,,,,,[Na+],
,,,NA:A:3103,Part of Protein,,,,,[Na+],
,,,NA:A:3105,Part of Protein,,,,,[Na+],
,,,NA:B:3101,Part of Protein,,,,,[Na+],
,,,NA:B:3102,Part of Protein,,,,,[Na+],
,,,NA:B:3103,Part of Protein,,,,,[Na+],
,,,NA:B:3104,Part of Protein,,,,,[Na+],
,,,NA:B:3105,Part of Protein,,,,,[Na+],
,,,NA:C:3101,Part of Protein,,,,,[Na+],
,,,NA:C:3102,Part of Protein,,,,,[Na+],
,,,NA:C:3103,Part of Protein,,,,,[Na+],
,,,NA:C:3104,Part of Protein,,,,,[Na+],
,,,NA:C:3105,Part of Protein,,,,,[Na+],
,,,NA:D:3101,Part of Protein,,,,,[Na+],
,,,NA:D:3102,Part of Protein,,,,,[Na+],
,,,NA:D:3103,Part of Protein,,,,,[Na+],
,,,NA:D:3105,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3TTY,,,,,,,
,,,GLA:A:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:F:677,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,ZN:A:676,Part of Protein,,,,,[Zn+2],
,,,ZN:B:676,Part of Protein,,,,,[Zn+2],
,,,ZN:C:676,Part of Protein,,,,,[Zn+2],
,,,ZN:D:676,Part of Protein,,,,,[Zn+2],
,,,ZN:E:676,Part of Protein,,,,,[Zn+2],
,,,ZN:F:676,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7CWD,,,,,,,
,,,GAL GAL:A:902,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GLC:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1XC6,,,,,,,
,,,EDO:A:9001,invalid,,,,,C(CO)O,
,,,EDO:A:9002,invalid,,,,,C(CO)O,
,,,EDO:A:9003,invalid,,,,,C(CO)O,
,,,EDO:A:9004,invalid,,,,,C(CO)O,
,,,EDO:A:9005,invalid,,,,,C(CO)O,
,,,EDO:A:9006,invalid,,,,,C(CO)O,
,,,EDO:A:9007,invalid,,,,,C(CO)O,
,,,EDO:A:9008,invalid,,,,,C(CO)O,
,,,EDO:A:9009,invalid,,,,,C(CO)O,
,,,EDO:A:9080,invalid,,,,,C(CO)O,
,,,EDO:A:9081,invalid,,,,,C(CO)O,
,,,GAL:A:9011,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,IOD:A:9021,invalid,,,,,[I-],
,,,IOD:A:9022,invalid,,,,,[I-],
,,,IOD:A:9023,invalid,,,,,[I-],
,,,IOD:A:9024,invalid,,,,,[I-],
,,,IOD:A:9025,invalid,,,,,[I-],
,,,IOD:A:9026,invalid,,,,,[I-],
,,,IOD:A:9027,invalid,,,,,[I-],
,,,IOD:A:9028,invalid,,,,,[I-],
,,,IOD:A:9029,invalid,,,,,[I-],
,,,IOD:A:9030,invalid,,,,,[I-],
,,,IOD:A:9031,invalid,,,,,[I-],
,,,IOD:A:9032,invalid,,,,,[I-],
,,,IOD:A:9033,invalid,,,,,[I-],
,,,IOD:A:9034,invalid,,,,,[I-],
,,,IOD:A:9035,invalid,,,,,[I-],
,,,IOD:A:9036,invalid,,,,,[I-],
,,,IOD:A:9037,invalid,,,,,[I-],
,,,IOD:A:9038,invalid,,,,,[I-],
,,,IOD:A:9039,invalid,,,,,[I-],
,,,IOD:A:9040,invalid,,,,,[I-],
,,,IOD:A:9041,invalid,,,,,[I-],
,,,IOD:A:9042,invalid,,,,,[I-],
,,,IOD:A:9043,invalid,,,,,[I-],
,,,IOD:A:9044,invalid,,,,,[I-],
,,,IOD:A:9045,invalid,,,,,[I-],
,,,IOD:A:9046,invalid,,,,,[I-],
,,,IOD:A:9047,invalid,,,,,[I-],
,,,IOD:A:9048,invalid,,,,,[I-],
,,,IOD:A:9049,invalid,,,,,[I-],
,,,IOD:A:9050,invalid,,,,,[I-],
,,,IOD:A:9051,invalid,,,,,[I-],
,,,IOD:A:9052,invalid,,,,,[I-],
,,,IOD:A:9053,invalid,,,,,[I-],
,,,IOD:A:9054,invalid,,,,,[I-],
,,,IOD:A:9055,invalid,,,,,[I-],
,,,IOD:A:9056,invalid,,,,,[I-],
,,,IOD:A:9057,invalid,,,,,[I-],
,,,IOD:A:9058,invalid,,,,,[I-],
,,,IOD:A:9059,invalid,,,,,[I-],
,,,IOD:A:9060,invalid,,,,,[I-],
,,,IOD:A:9061,invalid,,,,,[I-],
,,,IOD:A:9062,invalid,,,,,[I-],
,,,IOD:A:9063,invalid,,,,,[I-],
,,,IOD:A:9064,invalid,,,,,[I-],
,,,IOD:A:9065,invalid,,,,,[I-],
,,,IOD:A:9066,invalid,,,,,[I-],
,,,IOD:A:9067,invalid,,,,,[I-],
,,,IOD:A:9068,invalid,,,,,[I-],
,,,IOD:A:9069,invalid,,,,,[I-],
,,,IOD:A:9070,invalid,,,,,[I-],
,,,IOD:A:9071,invalid,,,,,[I-],
,,,IOD:A:9072,invalid,,,,,[I-],
,,,NA:A:8001,Part of Protein,,,,,[Na+],
,,,NAG:A:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:4001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA BMA MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PO4:A:8002,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6ZJS,,,,,,,
,,,MLI:A:1129,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1132,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1131,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1130,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:1110,Part of Protein,,,,,[Na+],
,,,NA:A:1108,Part of Protein,,,,,[Na+],
,,,NA:A:1111,Part of Protein,,,,,[Na+],
,,,NA:A:1112,Part of Protein,,,,,[Na+],
,,,NA:A:1109,Part of Protein,,,,,[Na+],
,,,ACT:A:1122,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1119,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1126,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1124,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1123,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1116,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1125,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1114,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1120,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1121,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1128,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1115,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1127,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1117,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1118,invalid,,,,,CC(=O)[O-],
,,,GAL:A:1101,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1102,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1106,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1103,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1105,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1107,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,LMR:A:1136,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:1135,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,FMT:A:1134,invalid,,,,,C(=O)O,
,,,FMT:A:1133,invalid,,,,,C(=O)O,
,,6ZJX,,,,,,,
,,,NA:A:1101,Part of Protein,,,,,[Na+],
,,,ACT:A:1102,invalid,,,,,CC(=O)[O-],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,MLI:A:1103,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6SED,,,,,,,
,,,ACT:A:1102,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1105,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,FMT:A:1110,invalid,,,,,C(=O)O,
,,,FMT:A:1114,invalid,,,,,C(=O)O,
,,,FMT:A:1113,invalid,,,,,C(=O)O,
,,,FMT:A:1112,invalid,,,,,C(=O)O,
,,,FMT:A:1111,invalid,,,,,C(=O)O,
,,,NA:A:1116,Part of Protein,,,,,[Na+],
,,,NA:A:1117,Part of Protein,,,,,[Na+],
,,,NA:A:1115,Part of Protein,,,,,[Na+],
,,,MLI:A:1109,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GAL:A:1101,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6SE9,,,,,,,
,,,NA:A:1102,Part of Protein,,,,,[Na+],
,,,NA:A:1101,Part of Protein,,,,,[Na+],
,,,FRU:A:1109,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:1108,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,GAL:A:1110,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ACT:A:1105,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,FMT:A:1107,invalid,,,,,C(=O)O,
,,,MLI:A:1106,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6SEB,,,,,,,
,,,ACT:A:1103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1105,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,NA:A:1109,Part of Protein,,,,,[Na+],
,,,NA:A:1108,Part of Protein,,,,,[Na+],
,,,NA:A:1111,Part of Protein,,,,,[Na+],
,,,NA:A:1110,Part of Protein,,,,,[Na+],
,,,FMT:A:1112,invalid,,,,,C(=O)O,
,,,IPT:A:1101,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:A:1102,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,6ZJR,,,,,,,
,,,NA:A:1101,Part of Protein,,,,,[Na+],
,,,NA:A:1102,Part of Protein,,,,,[Na+],
,,,FRU GAL:C:1,valid,,,,,,
,,,FRU GAL:B:1,valid,,,,,,
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1109,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1111,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1110,invalid,,,,,CC(=O)[O-],
,,,MLI:A:1103,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6ZJU,,,,,,,
,,,NA:A:1109,Part of Protein,,,,,[Na+],
,,,NA:A:1111,Part of Protein,,,,,[Na+],
,,,NA:A:1110,Part of Protein,,,,,[Na+],
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1105,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,MLI:A:1112,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6ZJT,,,,,,,
,,,FRU GAL:C:1,valid,,,,,,
,,,FRU GAL:B:1,valid,,,,,,
,,,ACT:A:1105,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,NA:A:1107,Part of Protein,,,,,[Na+],
,,,NA:A:1108,Part of Protein,,,,,[Na+],
,,,GAL:A:1104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1103,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6ZJW,,,,,,,
,,,GAL:A:1102,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1101,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6SEA,,,,,,,
,,,NA:A:1102,Part of Protein,,,,,[Na+],
,,,NA:A:1103,Part of Protein,,,,,[Na+],
,,,NA:A:1105,Part of Protein,,,,,[Na+],
,,,NA:A:1104,Part of Protein,,,,,[Na+],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1109,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1110,invalid,,,,,CC(=O)[O-],
,,,GAL:A:1111,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1112,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6ZJQ,,,,,,,
,,,NA:A:1101,Part of Protein,,,,,[Na+],
,,,NA:A:1105,Part of Protein,,,,,[Na+],
,,,NA:A:1103,Part of Protein,,,,,[Na+],
,,,NA:A:1104,Part of Protein,,,,,[Na+],
,,,NA:A:1102,Part of Protein,,,,,[Na+],
,,,MLI:A:1129,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1132,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1128,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1131,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1133,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1130,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ACT:A:1122,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1112,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1119,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1126,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1110,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1124,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1123,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1116,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1125,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1109,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1114,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1120,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1121,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1111,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1115,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1127,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1117,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1118,invalid,,,,,CC(=O)[O-],
,,,GAL:A:1106,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:1107,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4CUB,,,,,,,
,,,EDO:A:2649,invalid,,,,,C(CO)O,
,,,EDO:A:2648,invalid,,,,,C(CO)O,
,,,EDO:A:2650,invalid,,,,,C(CO)O,
,,,EDO:B:2649,invalid,,,,,C(CO)O,
,,,EDO:B:2646,invalid,,,,,C(CO)O,
,,,EDO:B:2650,invalid,,,,,C(CO)O,
,,,EDO:A:2647,invalid,,,,,C(CO)O,
,,,EDO:A:2646,invalid,,,,,C(CO)O,
,,,EDO:B:2647,invalid,,,,,C(CO)O,
,,,EDO:B:2648,invalid,,,,,C(CO)O,
,,,CA:A:2645,Part of Protein,,,,,[Ca+2],
,,,CA:B:2645,Part of Protein,,,,,[Ca+2],
,,,NAG GAL:C:1,valid,Kd,=,251,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,Kd,=,251,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4UCF,,,,,,,
,,,GLA:A:702,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:702,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:703,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:702,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:701,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:701,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:701,valid,Ki,=,5.9,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,POL:C:704,invalid,,,,,CCCO,
,,,PEG:C:703,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4UOZ,,,,,,,
,,,PGE:A:1698,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1697,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1697,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1696,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1696,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1697,invalid,,,,,C(COCCOCCO)O,
,,,GLA:C:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,ZN:A:1696,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4E8C,,,,,,,
,,,GAL:A:601,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:601,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1KWK,,,,,,,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,CL:A:801,invalid,,,,,[Cl-],
,,,GAL:A:701,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MPD:A:802,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4D1J,,,,,,,
,,,ACT:C:602,invalid,,,,,CC(=O)[O-],
,,,ACT:D:606,invalid,,,,,CC(=O)[O-],
,,,ACT:F:605,invalid,,,,,CC(=O)[O-],
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:D:605,invalid,,,,,CC(=O)[O-],
,,,DGJ:E:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:D:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:B:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:A:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:H:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:G:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:C:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:F:600,valid,Kd,=,485,nM,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,NA:E:603,Part of Protein,,,,,[Na+],
,,,NA:F:604,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NA:G:603,Part of Protein,,,,,[Na+],
,,,NA:G:601,Part of Protein,,,,,[Na+],
,,,NA:E:602,Part of Protein,,,,,[Na+],
,,,NA:F:602,Part of Protein,,,,,[Na+],
,,,NA:H:601,Part of Protein,,,,,[Na+],
,,,NA:F:603,Part of Protein,,,,,[Na+],
,,,NA:E:601,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:D:604,Part of Protein,,,,,[Na+],
,,,NA:D:602,invalid,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:E:604,Part of Protein,,,,,[Na+],
,,,NA:G:604,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:F:601,Part of Protein,,,,,[Na+],
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:A:604,invalid,,,,,[Na+],
,,,NA:G:602,Part of Protein,,,,,[Na+],
,,,NA:D:603,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3OGV,,,,,,,
,,,NAG:A:1040,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1041,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN GLC:C:1,Part of Protein,,,,,,
,,,PTQ:A:1024,valid,,,,,c1ccc(cc1)CCS[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,3OGR,,,,,,,
,,,GAL:A:1024,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:A:1042,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1043,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN GLC MAN MAN:C:1,Part of Protein,,,,,,
,,3OGS,,,,,,,
,,,IPT:A:1024,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:1041,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1042,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN GLC MAN:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,5MGD,,,,,,,
,,,NAG:A:1777,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1739,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1478,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:3001,invalid,,,,,CS(=O)C,
,,,CL:A:3002,invalid,,,,,[Cl-],
,,,GLC GAL GAL:E:1,valid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,1PE:A:3003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5MGC,,,,,,,
,,,NAG:A:1777,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1522,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1478,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLC GAL GAL:E:1,valid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,5JUV,,,,,,,
,,,NAG:A:1777,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1739,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1478,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN MAN MAN MAN MAN:B:1,invalid,,,,,,
,,,1PE:A:3001,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,5IHR,,,,,,,
,,,NAG:A:1777,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1522,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1739,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1478,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:3009,invalid,,,,,CS(=O)C,
,,,DMS:A:3001,invalid,,,,,CS(=O)C,
,,,DMS:A:3004,invalid,,,,,CS(=O)C,
,,,DMS:A:3003,invalid,,,,,CS(=O)C,
,,,DMS:A:3005,invalid,,,,,CS(=O)C,
,,,DMS:A:3007,invalid,,,,,CS(=O)C,
,,,DMS:A:3008,invalid,,,,,CS(=O)C,
,,,DMS:A:3002,invalid,,,,,CS(=O)C,
,,,DMS:A:3006,invalid,,,,,CS(=O)C,
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,invalid,,,,,,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,5IFT,,,,,,,
,,,NAG:A:1777,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1739,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1522,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1478,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1760,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1156,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:3007,invalid,,,,,CS(=O)C,
,,,DMS:A:3004,invalid,,,,,CS(=O)C,
,,,DMS:A:3005,invalid,,,,,CS(=O)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,CL:A:2003,invalid,,,,,[Cl-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
2.5.1.63,,,,,,,,,
,Family. Representative Entry is ,2V7T,,,,,,,
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:B:1300,invalid,,,,,[Cl-],
,,,CL:C:1300,invalid,,,,,[Cl-],
,,,SAH:A:1299,valid,Ka,=,30200000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1299,valid,Ka,=,30200000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1299,valid,Ka,=,30200000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2CC2,,,,,,,
,,,5AD:A:1299,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:1299,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:1300,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:C:1299,invalid,,,,,[Cl-],
,,2CBX,,,,,,,
,,,CC5:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N,
,,,CC5:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N,
,,,CC5:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N,
,,,GOL:A:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1299,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1300,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1301,invalid,,,,,C(C(CO)O)O,
,,2V7V,,,,,,,
,,,5FD:A:1299,valid,Ka,=,4550000,M^-1,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:C:1299,valid,Ka,=,4550000,M^-1,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:C:1300,valid,Ka,=,4550000,M^-1,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,2V7W,,,,,,,
,,,5FD:A:1299,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:B:1299,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:C:1299,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,2V7X,,,,,,,
,,,5FD:A:1601,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:B:1601,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,5FD:C:1601,valid,,,,,[H]/N=C/1C2C(N=CN1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CF)O)O,
,,,MET:A:1600,valid,Ka,=,59000,M^-1,CSCC[C@@H](C(=O)O)N,
,,,MET:B:1600,valid,Ka,=,59000,M^-1,CSCC[C@@H](C(=O)O)N,
,,,MET:C:1600,valid,Ka,=,59000,M^-1,CSCC[C@@H](C(=O)O)N,
,,5FIU,,,,,,,
,,,TLA:A:1300,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1300,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:1300,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,Y3J:A:1299,valid,Ka,=,2710000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N,
,,,Y3J:C:1299,valid,Ka,=,2710000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N,
,,,Y3J:B:1299,valid,Ka,=,2710000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3C([C@@H]([C@H](O3)C(F)F)O)O)N,
,,2V7U,,,,,,,
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:B:1301,invalid,,,,,[Cl-],
,,,CL:C:1299,invalid,,,,,[Cl-],
,,,SAM:A:1299,valid,Ka,=,800000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1299,valid,Ka,=,800000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1300,valid,Ka,=,800000,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,1RQP,,,,,,,
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2C2W,,,,,,,
,,,5CD:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,,,5CD:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,,,5CD:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N,
,,,CL:A:1299,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,CL:B:1299,invalid,,,,,[Cl-],
,,,CL:B:1300,invalid,,,,,[Cl-],
,,,CL:C:1299,invalid,,,,,[Cl-],
,,,CL:C:1300,invalid,,,,,[Cl-],
,,2C5B,,,,,,,
,,,5F1:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N,
,,,5F1:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N,
,,,5F1:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CF)O)N,
,,,MET:A:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:C:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
1.4.3.16,,,,,,,,,
,Family. Representative Entry is ,1KNR,,,,,,,
,,,CL:A:541,invalid,,,,,[Cl-],
,,,FAD:A:800,valid,Kd,=,8.1,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:542,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1J5P,,,,,,,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2E5V,,,,,,,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:B:2002,invalid,,,,,[Cl-],
,,,FAD:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.4.1.101,,,,,,,,,
,Family. Representative Entry is ,2APC,,,,,,,
,,,GOL:A:450,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:452,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:453,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:454,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:455,invalid,,,,,C(C(CO)O)O,
,,,MN:A:448,Part of Protein,,,,,[Mn+2],
,,,UDM:A:449,valid,Ki,=,28,uM,CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,2AM4,,,,,,,
,,,GOL:A:450,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:454,invalid,,,,,C(C(CO)O)O,
,,,MN:A:448,Part of Protein,,,,,[Mn+2],
,,,U2F:A:449,valid,Ki,=,190,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,2AM3,,,,,,,
,,,GOL:A:450,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:452,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:453,invalid,,,,,C(C(CO)O)O,
,,,MN:A:448,Part of Protein,,,,,[Mn+2],
,,,UPG:A:449,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1FOA,,,,,,,
,,,GOL:A:450,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:451,invalid,,,,,C(C(CO)O)O,
,,,MN:A:448,Part of Protein,,,,,[Mn+2],
,,,UD1:A:449,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2AM5,,,,,,,
,,,GOL:A:450,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:452,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:453,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:454,invalid,,,,,C(C(CO)O)O,
,,,MN:A:448,Part of Protein,,,,,[Mn+2],
,,,UDP:A:449,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
3.2.1.41,,,,,,,,,
,Family. Representative Entry is ,2Y4S,,,,,,,
,,,CA:A:1893,Part of Protein,,,,,[Ca+2],
,,,CA:A:1894,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1886,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1887,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1888,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1889,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1890,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1891,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1892,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1896,invalid,,,,,[I-],
,,,IOD:A:1897,invalid,,,,,[I-],
,,,IOD:A:1898,invalid,,,,,[I-],
,,,IOD:A:1899,invalid,,,,,[I-],
,,,IOD:A:1900,invalid,,,,,[I-],
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,0.7,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,2Y5E,,,,,,,
,,,CA:A:1887,Part of Protein,,,,,[Ca+2],
,,,CA:A:1888,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1886,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1890,invalid,,,,,[I-],
,,,IOD:A:1891,invalid,,,,,[I-],
,,,IOD:A:1892,invalid,,,,,[I-],
,,,IOD:A:1893,invalid,,,,,[I-],
,,,IOD:A:1894,invalid,,,,,[I-],
,,,IOD:A:1895,invalid,,,,,[I-],
,,,IOD:A:1896,invalid,,,,,[I-],
,,,IOD:A:1897,invalid,,,,,[I-],
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,2J73,,,,,,,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,2J72,,,,,,,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,6J34,,,,,,,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1113,Part of Protein,,,,,[Mg+2],
,,,MG:A:1114,invalid,,,,,[Mg+2],
,,,MG:A:1111,Part of Protein,,,,,[Mg+2],
,,,MG:A:1112,Part of Protein,,,,,[Mg+2],
,,,ACT:A:1115,invalid,,,,,CC(=O)[O-],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2FHB,,,,,,,
,,,CA:A:2401,Part of Protein,,,,,[Ca+2],
,,,CA:A:2402,Part of Protein,,,,,[Ca+2],
,,,CA:A:2403,Part of Protein,,,,,[Ca+2],
,,,CA:A:2404,Part of Protein,,,,,[Ca+2],
,,,CA:A:2408,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2FH6,,,,,,,
,,,CA:A:2401,Part of Protein,,,,,[Ca+2],
,,,CA:A:2402,Part of Protein,,,,,[Ca+2],
,,,CA:A:2403,Part of Protein,,,,,[Ca+2],
,,,CA:A:2404,Part of Protein,,,,,[Ca+2],
,,,GLC:A:1097,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5YND,,,,,,,
,,,CA:A:1102,Part of Protein,,,,,[Ca+2],
,,,CA:A:1103,Part of Protein,,,,,[Ca+2],
,,,CA:A:1105,invalid,,,,,[Ca+2],
,,,CA:A:1101,Part of Protein,,,,,[Ca+2],
,,,CA:A:1104,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1112,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,PEG:A:1107,invalid,,,,,C(COCCO)O,
,,,PEG:A:1106,invalid,,,,,C(COCCO)O,
,,5YNC,,,,,,,
,,,CA:A:1103,Part of Protein,,,,,[Ca+2],
,,,CA:A:1105,Part of Protein,,,,,[Ca+2],
,,,CA:A:1102,invalid,,,,,[Ca+2],
,,,CA:A:1101,Part of Protein,,,,,[Ca+2],
,,,CA:A:1104,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,ACT:A:1106,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1122,invalid,,,,,C(C(CO)O)O,
,,5YNA,,,,,,,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1102,Part of Protein,,,,,[Ca+2],
,,,CA:A:1105,Part of Protein,,,,,[Ca+2],
,,,CA:A:1103,invalid,,,,,[Ca+2],
,,,CA:A:1101,Part of Protein,,,,,[Ca+2],
,,,CA:A:1104,Part of Protein,,,,,[Ca+2],
,,,ACT:A:1110,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1109,invalid,,,,,CC(=O)[O-],
,,,PEG:A:1108,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5YNH,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,CA:A:1121,Part of Protein,,,,,[Ca+2],
,,,CA:A:1118,Part of Protein,,,,,[Ca+2],
,,,CA:A:1120,Part of Protein,,,,,[Ca+2],
,,,CA:A:1119,invalid,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1122,invalid,,,,,C(C(CO)O)O,
,,6J4H,,,,,,,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1113,Part of Protein,,,,,[Mg+2],
,,,MG:A:1112,Part of Protein,,,,,[Mg+2],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1107,invalid,,,,,[Ca+2],
,,,CA:A:1108,Part of Protein,,,,,[Ca+2],
,,5YNE,,,,,,,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1102,Part of Protein,,,,,[Ca+2],
,,,CA:A:1103,Part of Protein,,,,,[Ca+2],
,,,CA:A:1105,Part of Protein,,,,,[Ca+2],
,,,CA:A:1101,Part of Protein,,,,,[Ca+2],
,,,CA:A:1104,invalid,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,PEG:A:1112,invalid,,,,,C(COCCO)O,
,,2FH8,,,,,,,
,,,CA:A:2401,Part of Protein,,,,,[Ca+2],
,,,CA:A:2402,Part of Protein,,,,,[Ca+2],
,,,CA:A:2403,Part of Protein,,,,,[Ca+2],
,,,CA:A:2404,Part of Protein,,,,,[Ca+2],
,,,BGC GLC:B:1,valid,,,,,,
,,2FHF,,,,,,,
,,,CA:A:2401,Part of Protein,,,,,[Ca+2],
,,,CA:A:2402,Part of Protein,,,,,[Ca+2],
,,,CA:A:2403,Part of Protein,,,,,[Ca+2],
,,,CA:A:2404,Part of Protein,,,,,[Ca+2],
,,,CA:A:2405,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,2FHC,,,,,,,
,,,CA:A:2401,Part of Protein,,,,,[Ca+2],
,,,CA:A:2402,Part of Protein,,,,,[Ca+2],
,,,CA:A:2403,Part of Protein,,,,,[Ca+2],
,,,CA:A:2404,Part of Protein,,,,,[Ca+2],
,,,CA:A:2405,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
3.2.1.153,,,,,,,,,
,Family. Representative Entry is ,2ADD,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,GLC FRU:D:1,valid,Ki,=,3.5,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
5.1.1.18,,,,,,,,,
,Family. Representative Entry is ,1WTC,,,,,,,
,,,ACP:A:370,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,MG:A:380,Part of Protein,,,,,[Mg+2],
,,,PLP:A:350,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2ZR8,,,,,,,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,PDD:A:350,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O,
,,,SER:A:370,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,3L6R,,,,,,,
,,,MLI:A:347,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MN:A:348,Part of Protein,,,,,[Mn+2],
,,3L6B,,,,,,,
,,,MLI:A:348,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MN:A:347,Part of Protein,,,,,[Mn+2],
,,,PLP:A:350,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3L6C,,,,,,,
,,,MLI:A:341,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:341,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MN:A:340,Part of Protein,,,,,[Mn+2],
,,,MN:B:340,Part of Protein,,,,,[Mn+2],
,,,PLP:A:350,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:350,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
1.1.1.146,,,,,,,,,
,Family. Representative Entry is ,3CH6,,,,,,,
,,,311:A:601,valid,ic50,=,0.1,nM,Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C,
,,,311:B:602,valid,ic50,=,0.1,nM,Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C,
,,,311:D:603,valid,ic50,=,0.1,nM,Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C,
,,,311:E:604,valid,ic50,=,0.1,nM,Cc1ccc(cc1F)c2cccc(n2)C(=O)N3CCCC(C3)(C)C,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ILT,,,,,,,
,,,NAP:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NI:A:801,Part of Protein,,,,,[Ni+2],
,,,NI:A:802,Part of Protein,,,,,[Ni+2],
,,,NN1:A:902,valid,Ki,=,7,nM,CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2)S(=O)(=O)C)Oc4ccc(cc4Cl)F,
,,4IJU,,,,,,,
,,,1EO:B:302,valid,ic50,=,5.1,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F,
,,,1EO:A:302,valid,ic50,=,5.1,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F,
,,,1EO:E:302,valid,ic50,=,5.1,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F,
,,,1EO:D:302,valid,ic50,=,5.1,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C45CCC(C4)(CC5)O)F,
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3PDJ,,,,,,,
,,,3PJ:A:1,valid,ic50,=,14,nM,C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O,
,,,3PJ:B:2,valid,ic50,=,14,nM,C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCC(CC3)(CCC(=O)N)c4ccccc4)(C(F)(F)F)O,
,,,NAP:A:293,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3CZR,,,,,,,
,,,3CZ:A:293,valid,ic50,=,3,nM,C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)C(C)(C)C)c3ccc(cc3)[N+](=O)[O-],
,,,CPS:B:1,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5PGY,,,,,,,
,,,8KG:A:302,valid,ic50,=,3,nM,c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KG:E:302,valid,ic50,=,3,nM,c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KG:D:302,valid,ic50,=,3,nM,c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KG:B:302,valid,ic50,=,3,nM,c1ccc(cc1)C2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3HFG,,,,,,,
,,,17R:A:1,valid,ic50,=,10,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F,
,,,17R:B:1,valid,ic50,=,10,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F,
,,,17R:C:1,valid,ic50,=,10,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F,
,,,17R:D:1,valid,ic50,=,10,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2cccc(c2)n3cncn3)c4ccc(cc4C(F)(F)F)F,
,,,NAP:A:293,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:293,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:293,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:293,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1XU7,,,,,,,
,,,CPS:A:1,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:523,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:525,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:C:2,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:C:527,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:D:529,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,NDP:A:522,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:524,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:526,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2BEL,,,,,,,
,,,CBO:A:1270,valid,,,,,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:B:1279,valid,,,,,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:C:1273,valid,,,,,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CBO:D:1279,valid,,,,,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)CCC(=O)O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,,CL:A:1271,invalid,,,,,[Cl-],
,,,CL:B:1280,invalid,,,,,[Cl-],
,,,CL:C:1274,invalid,,,,,[Cl-],
,,,CL:D:1280,invalid,,,,,[Cl-],
,,,NAP:A:1269,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1278,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1278,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5PGW,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,8KA:B:302,valid,ic50,=,0.7,nM,c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O,
,,,8KA:A:302,valid,ic50,=,0.7,nM,c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O,
,,,8KA:D:302,valid,ic50,=,0.7,nM,c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O,
,,,8KA:E:302,valid,ic50,=,0.7,nM,c1cc(ccc1c2ccc(cc2)F)C3(C4CC5CC3CC(C4)C5O)CC(=O)N6CC(C6)O,
,,4C7J,,,,,,,
,,,NAP:D:1283,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1292,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1282,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1286,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,4YQ:C:1283,valid,ic50,=,9.9,nM,C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,,4YQ:A:1287,valid,ic50,=,9.9,nM,C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,,4YQ:B:1293,valid,ic50,=,9.9,nM,C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,,4YQ:D:1284,valid,ic50,=,9.9,nM,C1CC1c2c(sc(n2)OCCO)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,3H6K,,,,,,,
,,,33T:A:293,valid,ic50,=,26,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F,
,,,33T:B:293,valid,ic50,=,26,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F,
,,,33T:C:293,valid,ic50,=,26,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F,
,,,33T:D:293,valid,ic50,=,26,nM,C[C@@H]1C[N@](CC[N@@]1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4IJW,,,,,,,
,,,1EQ:B:302,valid,ic50,=,1.6,nM,c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5,
,,,1EQ:D:302,valid,ic50,=,1.6,nM,c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5,
,,,1EQ:A:302,valid,ic50,=,1.6,nM,c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5,
,,,1EQ:E:302,valid,ic50,=,1.6,nM,c1cc(c2nnc(n2c1)C3(CC3)c4ccc(cc4)Cl)C5CC5,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4C7K,,,,,,,
,,,DZL:C:1285,valid,ic50,=,43,nM,CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5,
,,,DZL:A:1285,valid,ic50,=,43,nM,CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5,
,,,DZL:B:1285,valid,ic50,=,43,nM,CCc1nc(c(s1)C(=O)NC2[C@@H]3CC4C[C@H]2CC(C3)(C4)O)[C@H]5CCCO5,
,,,NAP:D:1284,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1284,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1284,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1284,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5PGV,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,8K7:B:302,valid,ic50,=,2,nM,COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F,
,,,8K7:D:302,valid,ic50,=,2,nM,COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F,
,,,8K7:A:302,valid,ic50,=,2,nM,COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F,
,,,8K7:E:302,valid,ic50,=,2,nM,COC12C[C@H]3CC(C1)C[C@@H](C2)C3(CC(=O)N4CC(C4)O)c5ccc(cc5)F,
,,4BB5,,,,,,,
,,,HD2:A:1291,valid,ic50,=,21,nM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,HD2:B:1291,valid,ic50,=,21,nM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,HD2:C:1281,valid,ic50,=,21,nM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,HD2:D:1292,valid,ic50,=,21,nM,c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O,
,,,NAP:A:1290,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1290,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1280,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1291,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1XU9,,,,,,,
,,,CPS:A:5,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:6,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:C:293,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:D:293,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,MES:A:293,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NDP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:4,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3BZU,,,,,,,
,,,A21:A:293,valid,ic50,=,14,nM,C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F,
,,,A21:B:293,valid,ic50,=,14,nM,C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F,
,,,A21:C:293,valid,ic50,=,14,nM,C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F,
,,,A21:D:293,valid,ic50,=,14,nM,C[C@@H](c1ccccc1F)NC2=NC(=O)[C@@](S2)(C)C(F)(F)F,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3FRJ,,,,,,,
,,,A49:B:2,valid,ic50,=,167,nM,C[C@](c1ccc(cc1)C(=O)N(C2CC2)C3CCN(CC3)CC4(CC4)C(=O)N)(C(F)(F)F)O,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5PGU,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,8K4:B:302,valid,ic50,=,1,nM,COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F,
,,,8K4:D:302,valid,ic50,=,1,nM,COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F,
,,,8K4:E:302,valid,ic50,=,1,nM,COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F,
,,,8K4:A:302,valid,ic50,=,1,nM,COC1CN(C1)C(=O)CC2(C3CC4CC(C3)CC2C4)c5ccc(cc5)F,
,,4IJV,,,,,,,
,,,1EN:D:302,valid,ic50,=,0.7,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F,
,,,1EN:A:302,valid,ic50,=,0.7,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F,
,,,1EN:B:302,valid,ic50,=,0.7,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F,
,,,1EN:E:302,valid,ic50,=,0.7,nM,c1ccc(c(c1)Oc2cccn3c2nnc3C4(CC4)c5ccc(cc5)Cl)F,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4HX5,,,,,,,
,,,19V:D:301,valid,ic50,=,4,nM,CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N,
,,,19V:A:301,valid,ic50,=,4,nM,CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N,
,,,19V:C:301,valid,ic50,=,4,nM,CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N,
,,,19V:B:301,valid,ic50,=,4,nM,CC(C)(C)N1CCN(CC1)c2ccc(nc2)N3CCN(c4c3cccc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)C(=O)N,
,,,NDP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5PGX,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,8KD:B:302,valid,ic50,=,3,nM,c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KD:D:302,valid,ic50,=,3,nM,c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KD:A:302,valid,ic50,=,3,nM,c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,,8KD:E:302,valid,ic50,=,3,nM,c1ccc(cc1)CC2(C3CC4CC2CC(C3)C4O)CC(=O)N5CC(C5)O,
,,3TFQ,,,,,,,
,,,07M:A:302,valid,ic50,=,12,nM,c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3,
,,,07M:B:302,valid,ic50,=,12,nM,c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3,
,,,07M:D:302,valid,ic50,=,12,nM,c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3,
,,,07M:E:302,valid,ic50,=,12,nM,c1cc(c(nc1)C#N)CSc2c3c(c(c(n2)O)C#N)CCOC3,
,,,GOL:E:351,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4K1L,,,,,,,
,,,SFF:C:301,valid,ic50,=,0.031,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,SFF:A:301,valid,ic50,=,0.031,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,SFF:D:301,valid,ic50,=,0.031,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,SFF:B:301,valid,ic50,=,0.031,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,NDP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2RBE,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZMG:A:601,valid,Ki,=,17,nM,CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F,
,,,ZMG:B:602,valid,Ki,=,17,nM,CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F,
,,,ZMG:C:603,valid,Ki,=,17,nM,CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F,
,,,ZMG:D:604,valid,Ki,=,17,nM,CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2F,
,,3D4N,,,,,,,
,,,D4N:A:293,valid,,,,,C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N,
,,,D4N:B:293,valid,,,,,C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N,
,,,D4N:C:293,valid,,,,,C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N,
,,,D4N:D:293,valid,,,,,C[C@@H]1C[N@](CC[N@]1S(=O)(=O)c2ccc(cc2)[C@@](C)(C(F)(F)F)O)CC3(CC3)C(=O)N,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4K26,,,,,,,
,,,SFF:B:301,valid,ic50,=,1.22,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,SFF:A:301,valid,ic50,=,1.22,uM,C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1Y5M,,,,,,,
,,,NDP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,OCT:A:301,invalid,,,,,CCCCCCCC,
,,,OCT:B:302,invalid,,,,,CCCCCCCC,
,,,SO4:A:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1XSE,,,,,,,
,,,NDP:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3G49,,,,,,,
,,,3G4:A:2004,valid,Ki,=,287,nM,CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl,
,,,3G4:D:2007,valid,Ki,=,287,nM,CCN(CC)C(=O)Cc1cccc(n1)NS(=O)(=O)c2cccc(c2C)Cl,
,,,NAP:A:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3DWF,,,,,,,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:8,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LZ6,,,,,,,
,,,A0D:A:2004,valid,,,,,CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4,
,,,A0D:B:2005,valid,,,,,CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4,
,,,A0D:C:2006,valid,,,,,CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4,
,,,A0D:D:2007,valid,,,,,CC[N@]1CCC[C@@H]1C(=O)NC2C3CC4CC(C3)CC2C4,
,,,NAP:A:2000,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.2.1.71,,,,,,,,,
,Family. Representative Entry is ,5U0L,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:B:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,8YP:A:507,valid,,,,,CCCCCCCCCC=O,
3.6.1.1,,,,,,,,,
,Family. Representative Entry is ,3L2B,,,,,,,
,,,B4P:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,3L31,,,,,,,
,,,AMP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3QXG,,,,,,,
,,,ACT:A:225,invalid,,,,,CC(=O)[O-],
,,,ACT:A:230,invalid,,,,,CC(=O)[O-],
,,,ACT:A:231,invalid,,,,,CC(=O)[O-],
,,,ACT:B:225,invalid,,,,,CC(=O)[O-],
,,,ACT:B:228,invalid,,,,,CC(=O)[O-],
,,,CA:A:226,Part of Protein,,,,,[Ca+2],
,,,CA:A:227,Part of Protein,,,,,[Ca+2],
,,,CA:B:226,Part of Protein,,,,,[Ca+2],
,,,CA:B:227,Part of Protein,,,,,[Ca+2],
,,,CA:B:229,Part of Protein,,,,,[Ca+2],
,,,CA:B:230,Part of Protein,,,,,[Ca+2],
,,,CA:B:231,Part of Protein,,,,,[Ca+2],
,,,MG:A:232,Part of Protein,,,,,[Mg+2],
,,,PO4:A:228,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TLA:A:229,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3QUT,,,,,,,
,,,CL:A:228,invalid,,,,,[Cl-],
,,,MG:A:225,Part of Protein,,,,,[Mg+2],
,,,MG:A:226,Part of Protein,,,,,[Mg+2],
,,,MLT:A:227,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,3QU9,,,,,,,
,,,CL:A:228,invalid,,,,,[Cl-],
,,,GOL:A:225,invalid,,,,,C(C(CO)O)O,
,,,MG:A:227,Part of Protein,,,,,[Mg+2],
,,,TLA:A:226,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3QU2,,,,,,,
,,,CIT:A:227,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:B:228,invalid,,,,,[Cl-],
,,,GOL:A:226,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:226,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:227,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:226,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:227,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:226,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:227,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:228,invalid,,,,,C(C(CO)O)O,
,,,MG:A:225,Part of Protein,,,,,[Mg+2],
,,,MG:B:225,Part of Protein,,,,,[Mg+2],
,,,MG:C:225,Part of Protein,,,,,[Mg+2],
,,,MG:D:225,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3EJ0,,,,,,,
,,,11X:A:176,valid,,,,,c1ccc(cc1)NCc2cccnc2,
,,,11X:A:177,valid,,,,,c1ccc(cc1)NCc2cccnc2,
,Family. Representative Entry is ,4A01,,,,,,,
,,,2PN:A:1773,valid,,,,,N(P(=O)(O)O)P(=O)(O)O,
,,,2PN:B:1773,valid,,,,,N(P(=O)(O)O)P(=O)(O)O,
,,,DMU:A:1774,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1775,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1776,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1777,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:1778,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1774,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1775,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1776,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:1777,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,K:A:1772,invalid,,,,,[K+],
,,,K:B:1772,invalid,,,,,[K+],
,,,MG:A:1767,Part of Protein,,,,,[Mg+2],
,,,MG:A:1768,Part of Protein,,,,,[Mg+2],
,,,MG:A:1769,Part of Protein,,,,,[Mg+2],
,,,MG:A:1770,Part of Protein,,,,,[Mg+2],
,,,MG:A:1771,Part of Protein,,,,,[Mg+2],
,,,MG:B:1767,Part of Protein,,,,,[Mg+2],
,,,MG:B:1768,Part of Protein,,,,,[Mg+2],
,,,MG:B:1769,Part of Protein,,,,,[Mg+2],
,,,MG:B:1770,Part of Protein,,,,,[Mg+2],
,,,MG:B:1771,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2HAW,,,,,,,
,,,1PE:B:1001,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2PN:A:2001,valid,Kd,=,12,uM,N(P(=O)(O)O)P(=O)(O)O,
,,,2PN:B:2002,valid,Kd,=,12,uM,N(P(=O)(O)O)P(=O)(O)O,
,,,CL:A:6001,invalid,,,,,[Cl-],
,,,F:A:3001,invalid,,,,,[F-],
,,,F:B:3002,invalid,,,,,[F-],
,,,GOL:B:5001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5003,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1005,Part of Protein,,,,,[Mg+2],
,,,MG:B:1006,Part of Protein,,,,,[Mg+2],
,,,MG:B:1007,Part of Protein,,,,,[Mg+2],
,,,MG:B:1008,Part of Protein,,,,,[Mg+2],
,,,PG4:A:6002,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1002,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IW4,,,,,,,
,,,FE:A:1309,Part of Protein,,,,,[Fe+3],
,,,FE:A:1310,Part of Protein,,,,,[Fe+3],
,,,FE:B:1311,Part of Protein,,,,,[Fe+3],
,,,FE:B:1312,Part of Protein,,,,,[Fe+3],
,,,GOL:B:1315,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1316,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1312,Part of Protein,,,,,[Mg+2],
,,,MG:B:1314,Part of Protein,,,,,[Mg+2],
,,,MG:A:1311,invalid,,,,,[Mg+2],
,,,MG:B:1313,invalid,,,,,[Mg+2],
,,,2PN:A:1315,valid,Kd,=,12,uM,N(P(=O)(O)O)P(=O)(O)O,
,,,2PN:B:1318,valid,Kd,=,12,uM,N(P(=O)(O)O)P(=O)(O)O,
,,,MN:A:1313,Part of Protein,,,,,[Mn+2],
,,,MN:A:1314,Part of Protein,,,,,[Mn+2],
,,,MN:B:1317,Part of Protein,,,,,[Mn+2],
,,,PG4:B:1309,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1310,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
1.7.99.5,,,,,,,,,
,Family. Representative Entry is ,1ZPT,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:A:895,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:896,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:897,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1ZRQ,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:A:495,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:496,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:497,valid,Ki,=,10,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3FST,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MRY:C:5321,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,SO4:E:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZP4,,,,,,,
,,,C2F:A:995,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:996,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:C:997,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B5T,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1ZP3,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:495,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:496,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:497,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FMN,,,,,,,
,,,4HF:A:495,valid,Ki,~,20,uM,c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,4HF:B:496,valid,Ki,~,20,uM,c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,4HF:C:497,valid,Ki,~,20,uM,c1cc(sc1CC[C@@H]2CC3=C(NC2)N=C(NC3=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3FSU,,,,,,,
,,,C2F:A:995,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:E:995,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MRY:C:5320,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,SO4:E:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FMO,,,,,,,
,,,FAD:A:395,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:396,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:397,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:895,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:896,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:897,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:904,invalid,,,,,[O-]S(=O)(=O)[O-],
5.4.2.3,,,,,,,,,
,Family. Representative Entry is ,2DKD,,,,,,,
,,,NG1:A:901,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,,NG1:B:902,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,,PO4:A:911,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:912,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:921,Part of Protein,,,,,[Zn+2],
,,,ZN:B:922,Part of Protein,,,,,[Zn+2],
,,2DKC,,,,,,,
,,,16G:A:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5O9X,,,,,,,
,,,G16:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)[O-])O)O)O)OP(=O)(O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,5OAW,,,,,,,
,,,16G:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,16G:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
1.6.5.11,,,,,,,,,
,Family. Representative Entry is ,6Q9C,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:507,invalid,,,,,[Na+],
,,,NA:D:507,Part of Protein,,,,,[Na+],
,,,NA:D:508,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:D:509,Part of Protein,,,,,[Na+],
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6Q9K,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:507,invalid,,,,,[Na+],
,,,NA:D:507,Part of Protein,,,,,[Na+],
,,,NA:D:508,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:D:506,Part of Protein,,,,,[Na+],
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6SAQ,,,,,,,
,,,L3W:D:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)O)C=O)O)O)O)O)N,
,,,L3W:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=O)N)O)C=O)O)O)O)O)N,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,FES:C:1001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SF4:D:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:1002,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6HL3,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:D:504,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,MPO:B:506,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,6HLM,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPO:D:504,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,FES:A:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,6HL4,,,,,,,
,,,FES:A:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:B:503,invalid,,,,,[Cl-],
,,,SF4:D:500,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6HLA,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NAD:D:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:D:504,Part of Protein,,,,,[Na+],
,,,NA:B:504,Part of Protein,,,,,[Na+],
,,,FES:A:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MPO:B:505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,6Q9G,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NA:D:506,Part of Protein,,,,,[Na+],
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6Q9J,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,invalid,,,,,[Na+],
,,,NA:D:508,Part of Protein,,,,,[Na+],
,,,NA:D:509,Part of Protein,,,,,[Na+],
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6HLJ,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MPO:B:504,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:504,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,FES:A:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,6HL2,,,,,,,
,,,SF4:D:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:C:204,invalid,,,,,[Cl-],
,,,CL:D:508,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,FMN:D:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TRS:D:509,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:510,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:510,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:511,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FES:A:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,6HLI,,,,,,,
,,,NAD:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FES:A:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:200,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SF4:D:500,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:500,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
2.7.1.76,,,,,,,,,
,Family. Representative Entry is ,2JAQ,,,,,,,
,,,DCP:A:1202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:B:1202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
3.1.4.35,,,,,,,,,
,Family. Representative Entry is ,4E90,,,,,,,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,7RG:B:903,valid,ic50,=,8,nM,C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5,
,,,7RG:A:903,valid,ic50,=,8,nM,C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C4CCOCC4)C(=O)N2)Cc5ncccn5,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,2HD1,,,,,,,
,,,IBM:A:1,valid,ic50,~,500,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:1,valid,ic50,~,500,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,MG:B:102,Part of Protein,,,,,[Mg+2],
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,4G2J,,,,,,,
,,,0WF:B:903,valid,ic50,=,11,nM,C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5,
,,,0WF:A:903,valid,ic50,=,11,nM,C[C@H](C1=Nc2c(cnn2C3CCCC3)C(=O)N1)N4CC(C4)Oc5ccccc5,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3K3H,,,,,,,
,,,BYE:A:600,valid,,,,,C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F,
,,,BYE:B:600,valid,,,,,C[C@@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,3DY8,,,,,,,
,,,5GP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FMT:B:1,invalid,,,,,C(=O)O,
,,,IBM:B:900,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,,3DYN,,,,,,,
,,,IBM:B:903,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,PCG:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3DYQ,,,,,,,
,,,IBM:B:900,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:B:901,Part of Protein,,,,,[Na+],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,PCG:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,3JSW,,,,,,,
,,,JAR:A:900,valid,ic50,=,66,nM,C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4,
,,,JAR:B:900,valid,ic50,=,66,nM,C[C@@H]1C[N@@](C[C@H]1C2=Nc3c(cnn3C(C)C)C(=O)N2)Cc4ccccc4,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,3DYS,,,,,,,
,,,5GP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FMT:B:1,invalid,,,,,C(=O)O,
,,,IBM:B:900,valid,,,,,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MN:A:65,Part of Protein,,,,,[Mn+2],
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:B:89,Part of Protein,,,,,[Mn+2],
,,,MN:B:901,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3SHZ,,,,,,,
,,,5CO:A:1,valid,ic50,=,35.9,nM,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)Cl)CC)S(=O)(=O)N3CCN(CC3)C,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:A:862,Part of Protein,,,,,[Mg+2],
,,,MG:A:863,Part of Protein,,,,,[Mg+2],
,,,MG:A:864,Part of Protein,,,,,[Mg+2],
,,,ZN:A:861,Part of Protein,,,,,[Zn+2],
,,4G2W,,,,,,,
,,,NI0:A:901,valid,ic50,=,1.6,nM,CCCOc1ccc(cc1C2=NC(=C(C(=O)N2)CC)CC)S(=O)(=O)N3CCN(CC3)C,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,PEG:A:903,invalid,,,,,C(COCCO)O,
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4QGE,,,,,,,
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,35O:A:601,valid,Ki,=,0.5,nM,C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4,
,,,35O:B:601,valid,Ki,=,0.5,nM,C[C@H](C(=O)Nc1ccc(cc1)OC)NC2=NC(=O)c3cnn(c3N2)C4CCCC4,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,3QI4,,,,,,,
,,,IBM:A:534,valid,ic50,=,117.2,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,IBM:B:534,valid,ic50,=,117.2,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:536,Part of Protein,,,,,[Mg+2],
,,,MG:B:536,Part of Protein,,,,,[Mg+2],
,,,ZN:A:535,Part of Protein,,,,,[Zn+2],
,,,ZN:B:535,Part of Protein,,,,,[Zn+2],
,,3QI3,,,,,,,
,,,MG:A:535,Part of Protein,,,,,[Mg+2],
,,,MG:B:535,Part of Protein,,,,,[Mg+2],
,,,PDB:A:600,valid,,,,,C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F,
,,,PDB:B:600,valid,,,,,C[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F,
,,,ZN:A:534,Part of Protein,,,,,[Zn+2],
,,,ZN:B:534,Part of Protein,,,,,[Zn+2],
,,4Y86,,,,,,,
,,,49E:B:601,valid,ic50,=,58,nM,CC(c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2,
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,49D:A:601,valid,ic50,=,11,nM,C[C@@H](c1ccc(cc1)Cl)NC2=Nc3c(cnn3C4CCCC4)C(=O)N2,
,Family. Representative Entry is ,1FQJ,,,,,,,
,,,ALF:A:362,valid,,,,,F[Al-](F)(F)F,
,,,ALF:D:363,valid,,,,,F[Al-](F)(F)F,
,,,GDP:A:360,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:361,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:352,Part of Protein,,,,,[Mg+2],
,,,MG:D:352,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3BJC,,,,,,,
,,,MG:A:877,Part of Protein,,,,,[Mg+2],
,,,WAN:A:901,valid,ic50,=,0.11,uM,CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(sc3OCC)S(=O)(=O)N,
,,,ZN:A:876,Part of Protein,,,,,[Zn+2],
4.2.1.78,,,,,,,,,
,Family. Representative Entry is ,6RP3,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,KCZ:A:201,valid,,,,,C[C@@H](CNCCc1ccc(c(c1)O)O)c2ccccc2,
,Family. Representative Entry is ,2VQ5,,,,,,,
,,,ACT:A:1198,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1199,invalid,,,,,CC(=O)[O-],
,,,CL:A:1200,invalid,,,,,[Cl-],
,,,CL:A:1201,invalid,,,,,[Cl-],
,,,CL:A:1202,invalid,,,,,[Cl-],
,,,CL:B:1195,invalid,,,,,[Cl-],
,,,CL:B:1196,invalid,,,,,[Cl-],
,,,HBA:A:1203,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:1198,valid,,,,,c1cc(ccc1C=O)O,
,,,LDP:B:1197,valid,,,,,c1cc(c(cc1CCN)O)O,
5.4.99.5,,,,,,,,,
,Family. Representative Entry is ,2PV7,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5CSM,,,,,,,
,,,TRP:A:300,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,1CSM,,,,,,,
,,,TRP:A:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5W6Y,,,,,,,
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,TRP:B:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:401,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4PPU,,,,,,,
,,,TYR:A:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,4PPV,,,,,,,
,,,PHE:A:401,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2VKL,,,,,,,
,,,MLT:A:1090,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,2CHT,,,,,,,
,,,TSA:A:203,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:B:201,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:C:202,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:D:206,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:E:204,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:F:205,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:G:209,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:H:207,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:I:208,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:J:212,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:K:210,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:L:211,valid,Ki,=,3,uM,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,3ZP4,,,,,,,
,,,TSA:D:1118,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:F:1118,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:C:1118,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,,TSA:B:1118,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,1COM,,,,,,,
,,,PRE:A:223,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:B:221,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:C:222,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:D:226,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:E:224,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:F:225,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:G:229,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:H:227,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:K:230,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,3ZP7,,,,,,,
,,,PRE:A:1118,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:D:1119,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:C:1118,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:B:1118,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,PRE:D:1118,valid,,,,,C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O,
,,,ISJ:A:1119,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,ISJ:D:1120,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,ISJ:D:1121,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,ISJ:C:1119,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,ISJ:B:1119,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,Family. Representative Entry is ,2GBB,,,,,,,
,,,CIT:A:191,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:192,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:193,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:194,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:A:198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1UFY,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,MES:A:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MLI:A:201,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,2FP2,,,,,,,
,,,TSA:B:500,valid,,,,,C1[C@@H]2[C@@H](C=C[C@]1(C[C@H](O2)C(=O)O)C(=O)O)O,
,,2AO2,,,,,,,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:2001,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
2.1.1.80,,,,,,,,,
,Family. Representative Entry is ,5FTW,,,,,,,
,,,SO4:A:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:1257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:A:1266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1265,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:1263,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5XLY,,,,,,,
,,,C2E:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1BC5,,,,,,,
,,,ACE ASN TRP GLU THR PHE:T:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)N)Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])C(O)C)Cc1ccccc1,
,,,CO:A:300,Part of Protein,,,,,[Co+2],
,,,SAH:A:287,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1AF7,,,,,,,
,,,SAH:A:287,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5XLX,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5Y4R,,,,,,,
,,,C2E:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:D:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
5.4.99.1,,,,,,,,,
,Family. Representative Entry is ,1CCW,,,,,,,
,,,CNC:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,CNC:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5[C@]6([C@@]([C@@H](C7=[N]6[Co+2]89(N5C4=C(C1=[N]8C(=CC2=[N]9C(=C7C)[C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C([C@@H]1CCC(=O)N)(C)C)C)C#N)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,TAR:B:900,valid,Ki,>,10,mM,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:900,valid,Ki,>,10,mM,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,1I9C,,,,,,,
,,,2AS:B:1307,valid,,,,,C[C@H]([C]O)[C@@H](C(=O)(=O)O)N,
,,,2AS:D:1308,valid,,,,,C[C@H]([C]O)[C@@H](C(=O)(=O)O)N,
,,,5AD:B:1303,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:D:1304,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GLU:B:1305,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:1306,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1CB7,,,,,,,
,,,COB:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O,
,,,COB:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H](C5=[N-]6C4=C(C7=[N]8[Co+2]69([N]1=C(C=C8C([C@@H]7CCC(=O)N)(C)C)[C@H]([C@](C1=C(C1=[N]9[C@@]5([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)(C)CC(=O)N)CCC(=O)N)C)C)CC(=O)N)C)O,
,,,TAR:B:900,valid,Ki,>,10,mM,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:900,valid,Ki,>,10,mM,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
3.6.5.2,,,,,,,,,
,Family. Representative Entry is ,4HDO,,,,,,,
,,,MG:B:200,Part of Protein,,,,,[Mg+2],
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,4DXA,,,,,,,
,,,GSP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4M9Q,,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2BME,,,,,,,
,,,BME:A:1183,invalid,,,,,C(CS)O,
,,,BME:C:1180,invalid,,,,,C(CS)O,
,,,GNP:A:1180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:1179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1184,Part of Protein,,,,,[Mg+2],
,,,MG:B:1179,Part of Protein,,,,,[Mg+2],
,,,MG:C:1181,Part of Protein,,,,,[Mg+2],
,,,MG:D:1180,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1181,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1182,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:1179,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:1178,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1YU9,,,,,,,
,,,GNP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BMD,,,,,,,
,,,GDP:A:1187,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:1188,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1189,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3MJH,,,,,,,
,,,GTP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,ZN:B:70,Part of Protein,,,,,[Zn+2],
,,,ZN:D:70,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2F9L,,,,,,,
,,,GDP:A:1174,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,2F9M,,,,,,,
,,,GNP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,NI:A:1202,Part of Protein,,,,,[Ni+2],
,,,NI:A:1203,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,2C5L,,,,,,,
,,,GOL:A:1169,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1170,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1169,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3240,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:1167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1167,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1168,Part of Protein,,,,,[Mg+2],
,,,MG:B:1168,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3T1O,,,,,,,
,,,GDP:A:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:197,Part of Protein,,,,,[Mg+2],
,,,MG:A:198,Part of Protein,,,,,[Mg+2],
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,,,MG:B:197,Part of Protein,,,,,[Mg+2],
,,,MG:B:198,Part of Protein,,,,,[Mg+2],
,,,MPD:A:5276,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3T1V,,,,,,,
,,,GDP:A:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3T1T,,,,,,,
,,,GDP:A:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:274,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4C4P,,,,,,,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,,GNP:A:1174,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,2GZD,,,,,,,
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:950,Part of Protein,,,,,[Mg+2],
,,,MG:B:950,Part of Protein,,,,,[Mg+2],
,,2GZH,,,,,,,
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:950,Part of Protein,,,,,[Mg+2],
,,,MG:A:951,Part of Protein,,,,,[Mg+2],
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3Q72,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,GNP:A:256,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:256,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:257,Part of Protein,,,,,[Mg+2],
,,,MG:B:257,Part of Protein,,,,,[Mg+2],
,,2DPX,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,3Q7Q,,,,,,,
,,,CA:A:257,Part of Protein,,,,,[Ca+2],
,,,GNP:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:256,Part of Protein,,,,,[Mg+2],
,,,MG:B:256,Part of Protein,,,,,[Mg+2],
,,3Q7P,,,,,,,
,,,GNP:A:256,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:256,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:257,Part of Protein,,,,,[Mg+2],
,,,MG:B:257,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3T12,,,,,,,
,,,GDP ALF:A:197,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:198,Part of Protein,,,,,[Mg+2],
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WDR,,,,,,,
,,,GNP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,5WDS,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3DEF,,,,,,,
,,,GDP:A:281,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:282,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3DDC,,,,,,,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6IZW,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3BC1,,,,,,,
,,,GNP:A:195,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:195,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:194,Part of Protein,,,,,[Mg+2],
,,,MG:E:194,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1RYH,,,,,,,
,,,GNP:A:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:539,Part of Protein,,,,,[Mg+2],
,,,MG:B:1539,Part of Protein,,,,,[Mg+2],
,,1RYF,,,,,,,
,,,GDP:A:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:539,Part of Protein,,,,,[Mg+2],
,,,MG:B:1539,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4BAS,,,,,,,
,,,GNP:A:1182,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1183,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1185,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4D0N,,,,,,,
,,,GDP:A:1182,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:3343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1183,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1184,invalid,,,,,C(CO)O,
3.4.24.22,,,,,,,,,
,Family. Representative Entry is ,1Q3A,,,,,,,
,,,CA:A:466,Part of Protein,,,,,[Ca+2],
,,,CA:A:467,Part of Protein,,,,,[Ca+2],
,,,CA:A:468,Part of Protein,,,,,[Ca+2],
,,,CA:B:471,Part of Protein,,,,,[Ca+2],
,,,CA:B:472,Part of Protein,,,,,[Ca+2],
,,,CA:B:473,Part of Protein,,,,,[Ca+2],
,,,CA:C:476,Part of Protein,,,,,[Ca+2],
,,,CA:C:477,Part of Protein,,,,,[Ca+2],
,,,CA:C:478,Part of Protein,,,,,[Ca+2],
,,,NGH:A:480,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,,NGH:B:479,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,,NGH:C:481,valid,,,,,CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC,
,,,ZN:A:464,Part of Protein,,,,,[Zn+2],
,,,ZN:A:465,Part of Protein,,,,,[Zn+2],
,,,ZN:B:469,Part of Protein,,,,,[Zn+2],
,,,ZN:B:470,Part of Protein,,,,,[Zn+2],
,,,ZN:C:474,Part of Protein,,,,,[Zn+2],
,,,ZN:C:475,Part of Protein,,,,,[Zn+2],
2.8.2.-,,,,,,,,,
,Family. Representative Entry is ,5MEX,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,BU2:A:413,invalid,,,,,C[C@@H](CCO)O,
,,,SZZ:A:402,valid,,,,,C=CC/C(=NOS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PAP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,5MEK,,,,,,,
,,,POL:A:425,invalid,,,,,CCCO,
,,,POL:A:428,invalid,,,,,CCCO,
,,,POL:A:424,invalid,,,,,CCCO,
,,,POL:A:427,invalid,,,,,CCCO,
,,,POL:A:426,invalid,,,,,CCCO,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,A3P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3BFX,,,,,,,
,,,A3P:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:4001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,2GWH,,,,,,,
,,,A3P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,PCI:A:402,valid,,,,,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:B:402,valid,,,,,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,PCI:B:501,valid,,,,,c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O,
,,,UNX:A:1003,invalid,,,,,*,
,,,UNX:A:1004,invalid,,,,,*,
,,,UNX:A:1006,invalid,,,,,*,
,,,UNX:B:1001,invalid,,,,,*,
,,,UNX:B:1002,invalid,,,,,*,
,,,UNX:B:1005,invalid,,,,,*,
,Family. Representative Entry is ,6UUX,,,,,,,
,,,QHM:A:302,valid,Kd,=,22,uM,CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,6MFE,,,,,,,
,,,S73:A:302,valid,,,,,c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N+](=O)[O-])CO)OC(F)(F)F,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,6BDP,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,DE4:A:302,valid,,,,,c1ccc(cc1)CN2CC[C@H](C2)Nc3ccc(c(c3)[N](=O)O)CO,
,,6BDS,,,,,,,
,,,DJ4:A:302,valid,,,,,c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F,
,,,DJ4:A:303,valid,,,,,c1cc(ccc1CN2CC[C@@H](C2)Nc3ccc(c(c3)[N](=O)O)CO)C(F)(F)F,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,4MUA,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NA:A:302,invalid,,,,,[Na+],
,,5BYK,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,OAQ:A:302,valid,,,,,CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,,NA:A:303,invalid,,,,,[Na+],
,,6BDR,,,,,,,
,,,DF7:A:302,valid,,,,,c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO,
,,,DF7:A:303,valid,,,,,c1ccc2c(c1)c(c[nH]2)CN3CC[C@H](C3)Nc4ccc(c(c4)[N](=O)O)CO,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,4MUB,,,,,,,
,,,OAQ:A:302,valid,,,,,CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,5BYJ,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,OQR:A:302,valid,,,,,CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,6BDQ,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,DE7:A:302,valid,,,,,c1cc(c(cc1N[C@H]2CCCNC2)[N+](=O)[O-])CO,
,Family. Representative Entry is ,1NST,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,2Q3M,,,,,,,
,,,MLA:A:901,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,3MG9,,,,,,,
,,,FMT:A:288,invalid,,,,,C(=O)O,
,,,FMT:A:289,invalid,,,,,C(=O)O,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:B:387,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:C:387,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GOL:B:400,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2Z5F,,,,,,,
,,,A3P:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3MGB,,,,,,,
,,,ACT:A:287,invalid,,,,,CC(=O)[O-],
,,,ACT:A:288,invalid,,,,,CC(=O)[O-],
,,,CL:A:289,invalid,,,,,[Cl-],
,,,GHP 3MY 3FG GHP GHP OMY 3FG:C:387,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,GHP 3MY 3FG GHP GHP OMY 3FG:D:387,valid,,,,,Clc1c2OC3C(O)=C4OC5C(Cl)=CC(C(O)C6C(=O)NC(C(=O)[O-])C=7C(=C(O)CC(=O)C=7)C7C(O)CCC(C(C(=O)N6)NC(=O)C(NC(=O)C6NC(=O)C(NC(=O)C([NH3+])c8cc(c(O)cc8)Oc8cc(O)cc6c8)Cc(c1)cc2)C(C4)C3)C7)C=C5,
,,,PAP:A:286,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,,PAP:B:286,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,5T0A,,,,,,,
,,,EDO:A:2016,invalid,,,,,C(CO)O,
,,,EDO:A:2014,invalid,,,,,C(CO)O,
,,,EDO:A:2015,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:A:2020,invalid,,,,,C(CO)O,
,,,EDO:A:2017,invalid,,,,,C(CO)O,
,,,EDO:A:2021,invalid,,,,,C(CO)O,
,,,EDO:A:2022,invalid,,,,,C(CO)O,
,,,EDO:A:2019,invalid,,,,,C(CO)O,
,,,EDO:B:1416,invalid,,,,,C(CO)O,
,,,EDO:A:2023,invalid,,,,,C(CO)O,
,,,EDO:B:1414,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:A:2018,invalid,,,,,C(CO)O,
,,,EDO:B:1415,invalid,,,,,C(CO)O,
,,,CL:A:2030,invalid,,,,,[Cl-],
,,,CL:B:1421,invalid,,,,,[Cl-],
,,,CL:A:2031,invalid,,,,,[Cl-],
,,,NA:B:1419,invalid,,,,,[Na+],
,,,NA:A:2029,invalid,,,,,[Na+],
,,,NA:B:1420,Part of Protein,,,,,[Na+],
,,,NA:A:2027,invalid,,,,,[Na+],
,,,NA:A:2028,invalid,,,,,[Na+],
,,,NA:A:2026,invalid,,,,,[Na+],
,,,A3P:B:1413,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:2012,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,TLA:A:2025,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1418,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:2024,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,BDP GNS ISD GNS BDP GNS BDP NPO:B:1,valid,,,,,,
,,,BDP NPO GNS IDS GNS BDP GNS:C:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(NS(=O)(=O)[O-])C(O)C(OC3C(O)C(O)C(OC4C(NS(=O)(=O)[O-])C(O)C(O)C(CO)O4)C(C(=O)[O-])O3)C(CO)O2)C(C(=O)[O-])OC1OC1C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(O)C(Oc3ccc([N+](=O)[O-])cc3)OC2C(=O)[O-])OC1CO)[O-],
,,5T05,,,,,,,
,,,TLA:A:1430,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1423,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1431,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1422,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EDO:A:1414,invalid,,,,,C(CO)O,
,,,EDO:A:1415,invalid,,,,,C(CO)O,
,,,EDO:B:1413,invalid,,,,,C(CO)O,
,,,EDO:B:1418,invalid,,,,,C(CO)O,
,,,EDO:A:1421,invalid,,,,,C(CO)O,
,,,EDO:A:1418,invalid,,,,,C(CO)O,
,,,EDO:A:1413,invalid,,,,,C(CO)O,
,,,EDO:A:1420,invalid,,,,,C(CO)O,
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:B:1416,invalid,,,,,C(CO)O,
,,,EDO:A:1416,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,EDO:B:1414,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:B:1415,invalid,,,,,C(CO)O,
,,,NA:A:1426,invalid,,,,,[Na+],
,,,NA:A:1425,invalid,,,,,[Na+],
,,,NA:B:1420,invalid,,,,,[Na+],
,,,NA:A:1429,invalid,,,,,[Na+],
,,,NA:A:1427,invalid,,,,,[Na+],
,,,NA:A:1428,invalid,,,,,[Na+],
,,,NA:B:1421,Part of Protein,,,,,[Na+],
,,,A3P:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,CL:A:1423,invalid,,,,,[Cl-],
,,,CL:A:1424,invalid,,,,,[Cl-],
,,,CL:A:1422,invalid,,,,,[Cl-],
,,,CL:B:1419,invalid,,,,,[Cl-],
,,,BDP NPO GNS IDS GNS BDP GNS:C:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(NS(=O)(=O)[O-])C(O)C(OC3C(O)C(O)C(OC4C(NS(=O)(=O)[O-])C(O)C(O)C(CO)O4)C(C(=O)[O-])O3)C(CO)O2)C(C(=O)[O-])OC1OC1C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(O)C(Oc3ccc([N+](=O)[O-])cc3)OC2C(=O)[O-])OC1CO)[O-],
,,,BDP NPO GNS IDS GNS BDP GNS:E:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(NS(=O)(=O)[O-])C(O)C(OC3C(O)C(O)C(OC4C(NS(=O)(=O)[O-])C(O)C(O)C(CO)O4)C(C(=O)[O-])O3)C(CO)O2)C(C(=O)[O-])OC1OC1C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(O)C(Oc3ccc([N+](=O)[O-])cc3)OC2C(=O)[O-])OC1CO)[O-],
,,5T03,,,,,,,
,,,NA:A:1430,invalid,,,,,[Na+],
,,,NA:B:1420,invalid,,,,,[Na+],
,,,NA:A:1429,invalid,,,,,[Na+],
,,,NA:A:1427,invalid,,,,,[Na+],
,,,NA:A:1428,invalid,,,,,[Na+],
,,,NA:B:1421,invalid,,,,,[Na+],
,,,EDO:A:1414,invalid,,,,,C(CO)O,
,,,EDO:A:1415,invalid,,,,,C(CO)O,
,,,EDO:B:1413,invalid,,,,,C(CO)O,
,,,EDO:A:1421,invalid,,,,,C(CO)O,
,,,EDO:A:1418,invalid,,,,,C(CO)O,
,,,EDO:A:1422,invalid,,,,,C(CO)O,
,,,EDO:A:1413,invalid,,,,,C(CO)O,
,,,EDO:A:1420,invalid,,,,,C(CO)O,
,,,EDO:A:1419,invalid,,,,,C(CO)O,
,,,EDO:B:1416,invalid,,,,,C(CO)O,
,,,EDO:A:1416,invalid,,,,,C(CO)O,
,,,EDO:A:1423,invalid,,,,,C(CO)O,
,,,EDO:A:1417,invalid,,,,,C(CO)O,
,,,EDO:B:1414,invalid,,,,,C(CO)O,
,,,EDO:B:1417,invalid,,,,,C(CO)O,
,,,EDO:B:1415,invalid,,,,,C(CO)O,
,,,TLA:B:1423,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1431,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:1422,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:1432,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,A3P:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CL:A:1425,invalid,,,,,[Cl-],
,,,CL:A:1426,invalid,,,,,[Cl-],
,,,CL:A:1424,invalid,,,,,[Cl-],
,,,CL:B:1418,invalid,,,,,[Cl-],
,,,CL:B:1419,invalid,,,,,[Cl-],
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,BDP NPO GNS BDP GNS BDP GNS:C:1,valid,,,,,S(=O)(=O)([O-])NC1C(O)C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(O)C(O)C(OC5C(NS(=O)(=O)[O-])C(O)C(O)C(CO)O5)C(C(=O)[O-])O4)C(CO)O3)C(C(=O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(Oc2ccc([N+](=O)[O-])cc2)OC1C(=O)[O-],
,,,BDP GNS BDP GNS BDP GNS NPO:E:1,valid,,,,,,
2.8.3.16,,,,,,,,,
,Family. Representative Entry is ,2VJM,,,,,,,
,,,COA:A:1169,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1429,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EPE:B:1430,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:A:1429,Part of Protein,,,,,[Na+],
1.3.1.24,,,,,,,,,
,Family. Representative Entry is ,1LC3,,,,,,,
,,,NAD:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
2.3.1.81,,,,,,,,,
,Family. Representative Entry is ,6NP2,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SIS:A:301,valid,Kd,=,0.16,uM,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,
,,6NP5,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,9CS:A:301,valid,Kd,=,27,uM,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,6NP3,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,LLL:A:301,valid,Kd,=,0.34,uM,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O,
,,6NP4,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,TOY:A:301,valid,Kd,=,36,uM,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,Family. Representative Entry is ,3N0S,,,,,,,
,,,ACO:A:266,valid,Kd,=,3.72,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:266,valid,Kd,=,3.72,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:266,valid,Kd,=,3.72,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:266,valid,Kd,=,3.72,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,EPE:B:268,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:B:267,invalid,,,,,[Mg+2],
,,,MG:D:267,invalid,,,,,[Mg+2],
,,3KZL,,,,,,,
,,,ACO:A:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:B:268,invalid,,,,,[Cl-],
,,,CL:B:270,invalid,,,,,[Cl-],
,,,CL:B:271,invalid,,,,,[Cl-],
,,,CL:C:267,invalid,,,,,[Cl-],
,,,CL:C:268,invalid,,,,,[Cl-],
,,,CL:C:269,invalid,,,,,[Cl-],
,,,CL:C:270,invalid,,,,,[Cl-],
,,,CL:D:267,invalid,,,,,[Cl-],
,,,CL:D:268,invalid,,,,,[Cl-],
,,,CL:D:269,invalid,,,,,[Cl-],
,,,EPE:B:267,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:B:269,invalid,,,,,[Mg+2],
,,,MG:D:270,invalid,,,,,[Mg+2],
,,3N0M,,,,,,,
,,,ACO:A:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:266,valid,Kd,=,6.1,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:B:267,invalid,,,,,[Cl-],
,,3IJW,,,,,,,
,,,ACO:A:266,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:266,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:A:268,invalid,,,,,[Cl-],
,,,CL:A:269,invalid,,,,,[Cl-],
,,,MG:A:270,invalid,,,,,[Mg+2],
3.2.1.1,,,,,,,,,
,Family. Representative Entry is ,1UA7,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,BGC G6D GLC ACI GLD ACI:C:1,valid,ic50,=,0.2,uM,,
,,1BAG,,,,,,,
,,,CA:A:431,Part of Protein,,,,,[Ca+2],
,,,CA:A:432,Part of Protein,,,,,[Ca+2],
,,,CA:A:433,Part of Protein,,,,,[Ca+2],
,,,BGC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,5A2B,,,,,,,
,,,CA:A:1482,Part of Protein,,,,,[Ca+2],
,,,CA:A:1480,Part of Protein,,,,,[Ca+2],
,,,CA:A:1479,Part of Protein,,,,,[Ca+2],
,,,CA:A:1481,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5A2C,,,,,,,
,,,CA:A:1477,Part of Protein,,,,,[Ca+2],
,,,CA:A:1480,Part of Protein,,,,,[Ca+2],
,,,CA:A:1479,Part of Protein,,,,,[Ca+2],
,,,CA:A:1478,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3BC9,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,GLC:A:1001,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1002,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,GLC GLC AC1:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,BGC GLC GLD GLC ACI GLD GLC ACI G6D:D:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(CO)=CC([NH2+]C5C(O)C(O)C(OC6C(O)C(O)C(OC7C(O)C(O)C(O)OC7CO)OC6CO)OC5C)C(O)C4O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)O1,
,,3BCD,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,CA:A:707,Part of Protein,,,,,[Ca+2],
,,,CA:A:708,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,BGC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,4W93,,,,,,,
,,,3L9:A:503,valid,Ki,=,8,nM,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)Oc3c(cc(cc3O)C4=C(C(=O)c5c(cc(cc5O4)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(c(c8)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,3OLE,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:515,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PCA:A:511,Part of Protein,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC G6D GLC ACI G6D ACI:C:1,valid,Ki,=,0.0147,uM,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,5EMY,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,5QP:A:501,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,1XD0,,,,,,,
,,,ARE:A:501,valid,Ki,=,0.075,uM,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,CL:A:500,invalid,,,,,[Cl-],
,,,NAG:A:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1U2Y,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GOX:A:499,valid,Ki,=,18,mM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OLD,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:514,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PCA:A:510,Part of Protein,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC G6D GLC ACI GLC:C:1,valid,Ki,=,1.2549,uM,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,BGC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1XH0,,,,,,,
,,,AAO:A:500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO,
,,,NAG:A:497,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1XD1,,,,,,,
,,,6SA:A:501,valid,Ki,=,0.012,uM,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)CO,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,NAG:A:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3CPU,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1U33,,,,,,,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,LM2:A:500,valid,Ki,=,25,uM,CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=NO)/[C@@H]([C@H]3O)O)CO)CO)CO,
,,,NAG:A:497,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1XH2,,,,,,,
,,,ARE:A:500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,NAG:A:497,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OLG,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC:A:512,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PCA:A:511,Part of Protein,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC G6D GLC HSD G6D HSD:C:1,valid,Ki,=,0.0143,uM,,
,,3BAY,,,,,,,
,,,ARE:A:500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,NAG:A:497,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,1Z32,,,,,,,
,,,AGL GLC HMC:X:505,valid,,,,,O(C1C(CO)=CC(=NC2C(O)C(O)COC2C)C(O)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:X:497,Part of Protein,,,,,[Ca+2],
,,,CL:X:498,invalid,,,,,[Cl-],
,,3DHP,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC GLC AGL HMC:A:503,valid,,,,,O(C1C(CO)=CC(=NC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,3IJ7,,,,,,,
,,,B9D BGC B8D:B:1,invalid,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLF B8D:C:1,valid,,,,,FC1C(O)C(O)C(OC2C(O)C(O)C(OC)C(CO)O2)C(CO)O1,
,,5TD4,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,3OLI,,,,,,,
,,,BGC:A:511,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:514,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:515,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PCA:A:510,Part of Protein,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,,,SO4:A:499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC G6D GLC HSD G6D HSD:C:1,valid,Ki,=,0.0416,uM,,
,,1U30,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GOX:A:500,valid,Ki,=,1.8,mM,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O,
,,,LAG:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,NAG:A:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1XCX,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,NAG:A:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC GLC AC1:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,1CPU,,,,,,,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,GLC GLC AGL HMC GLC:C:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NAG:A:497,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1XCW,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,NAG:A:499,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLC AC1:B:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,2QV4,,,,,,,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,NAG:A:497,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO2:A:499,invalid,,,,,N(=O)[O-],
,,,QV4:A:500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO,
,,3IJ9,,,,,,,
,,,B0D:A:503,valid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O,
,,,B0D:A:504,valid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O,
,,,B9D BGC:B:1,invalid,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,6OCN,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZXY:A:502,valid,,,,,c1cc(c(cc1/C=C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O,
,,3IJ8,,,,,,,
,,,B0D:A:501,valid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O,
,,,B0D:A:502,valid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O,
,,,B0D:A:503,valid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)F)O,
,,,B9D:A:504,invalid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,6OBX,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,ZXU:A:603,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5ccc(c(c5)O)O)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,MPD:A:604,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:605,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1NM9,,,,,,,
,,,CA:A:497,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,GLC:A:552,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC AGL HMC:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(N=C2C(O)C(O)C(O)C(CO)=C2)C(C)O1,
,,,GLC AGL:C:1,invalid,,,,,O(C1C(O)C(O)COC1CO)C1C(O)C(O)C([NH3+])C(C)O1,
,,4GQQ,,,,,,,
,,,0XR:A:502,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)O)O,
,,,0XR:A:503,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)O)O,
,,,0XR:A:504,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)O)O,
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3BAJ,,,,,,,
,,,ARE:A:500,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)N[C@H]3C=C([C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO,
,,,CA:A:498,Part of Protein,,,,,[Ca+2],
,,,NAG:A:497,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,4GQR,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,MYC:A:504,valid,Ki,=,110,uM,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6TP2,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,MLI:A:506,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,6TOZ,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,ACY:A:509,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,6TOY,,,,,,,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,ACY:A:509,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,MLI:A:505,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6TP0,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,MLI:A:506,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ACY:A:508,invalid,,,,,CC(=O)O,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6TP1,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,ACY:A:511,invalid,,,,,CC(=O)O,
,,,ACY:A:510,invalid,,,,,CC(=O)O,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,MLI:A:509,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,6M4M,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:610,invalid,,,,,C(COCCOCCO)O,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,PG4:A:609,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,1UH4,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,GLC:A:910,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,MPD:A:2001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,2D0H,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:A:2002,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,MPD:A:1001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2D0F,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CA:A:2002,Part of Protein,,,,,[Ca+2],
,,,CA:A:2003,Part of Protein,,,,,[Ca+2],
,,,MPD:A:1001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1003,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,BGC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BGC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1UH2,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6BS6,,,,,,,
,,,CA:A:720,Part of Protein,,,,,[Ca+2],
,,,CA:B:715,Part of Protein,,,,,[Ca+2],
,,,CA:B:716,Part of Protein,,,,,[Ca+2],
,,,CA:A:719,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,ACT:A:722,invalid,,,,,CC(=O)[O-],
,,,GLC GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3K8M,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:810,Part of Protein,,,,,[Ca+2],
,,,EDO:A:750,invalid,,,,,C(CO)O,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC AC1:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:H:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:I:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC AC1:C:1,Part of Protein,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,,GLC AC1:G:1,Part of Protein,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,3K8L,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CA:B:800,Part of Protein,,,,,[Ca+2],
,,,CA:B:810,Part of Protein,,,,,[Ca+2],
,,,EDO:A:900,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:930,invalid,,,,,C(CO)O,
,,,EDO:B:920,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,2QPU,,,,,,,
,,,BGC:C:4000,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,EDO:A:2000,invalid,,,,,C(CO)O,
,,,EDO:B:2001,invalid,,,,,C(CO)O,
,,,QPU:A:3000,valid,,,,,CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O,
,,,QPU:A:4000,valid,,,,,CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O,
,,,QPU:B:4000,valid,,,,,CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O,
,,,QPU:C:3000,valid,,,,,CC1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](OC[C@@H]([C@H]3O)O)CO)C)O,
,,,BGC GLC AC1:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,1P6W,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GTM SGC SGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(SC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,SGC GLC:C:1,valid,,,,,,
,,,SGC GLC:D:1,valid,,,,,,
,,1RP9,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GLC GLC DAF:D:1,valid,,,,,,
,,,GLC GLC DAF:C:1,valid,,,,,,
,,,GLC BGC DAF:B:1,valid,,,,,,
,,1RPK,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GLC DAF:D:1,valid,,,,,,
,,,GLC DAF:B:1,valid,,,,,,
,,,GLC GLC DAF:C:1,valid,,,,,,
,,1RP8,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC BGC GLC GLC:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,1PIG,,,,,,,
,,,BGC:A:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:600,invalid,,,,,[Cl-],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GLC AGL GLC HMC AGL:C:1,valid,ic50,=,0.7,nM,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC BGC:E:1,valid,,,,,,
,,1OSE,,,,,,,
,,,BGC:A:996,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,BGC AC1 GLC AC1:B:1,valid,,,,,,
,,3L2M,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1HX0,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,EDO:A:5000,invalid,,,,,C(CO)O,
,,,EDO:A:5001,invalid,,,,,C(CO)O,
,,,EDO:A:5002,invalid,,,,,C(CO)O,
,,,EDO:A:5003,invalid,,,,,C(CO)O,
,,,EDO:A:5004,invalid,,,,,C(CO)O,
,,,EDO:A:5005,invalid,,,,,C(CO)O,
,,,EDO:A:5006,invalid,,,,,C(CO)O,
,,,EDO:A:5007,invalid,,,,,C(CO)O,
,,,EDO:A:5008,invalid,,,,,C(CO)O,
,,,EDO:A:5010,invalid,,,,,C(CO)O,
,,,EDO:A:5014,invalid,,,,,C(CO)O,
,,,GLC AC1 GLC AC1:B:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,BGC AC1 GLC AC1:B:1,valid,,,,,,
,,,GLC EDO GLC:C:1,valid,,,,,O(CCO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,1WO2,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,EDO:A:2000,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,BGC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC:D:1,valid,,,,,,
,,1JFH,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,MA3 MA2:B:1,valid,Ki,=,9,mM,S(C)C1C(O)C(O)C(SC2C(O)C(O)C(OC)OC2CO)OC1CO,
,,,MA1 GLC:C:1,valid,Ki,=,9,mM,S(C1C(O)C(O)C(S)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,MA1 GLC:D:1,valid,Ki,=,9,mM,S(C1C(O)C(O)C(S)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,3L2L,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1UA3,,,,,,,
,,,BGC:A:1997,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO EDO:A:2000,invalid,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1VAH,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,NPO:A:701,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,1PPI,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,BGC GLC DAF GLC:C:1,valid,Ki,=,9.7,uM,,
,Family. Representative Entry is ,2GJP,,,,,,,
,,,BGC GLC DAF GLC GLC GLC DAF:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C([NH2+]C4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)OC6CO)OC5CO)OC4C)CC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,CA:A:1486,Part of Protein,,,,,[Ca+2],
,,,CA:A:1487,Part of Protein,,,,,[Ca+2],
,,,CA:A:1488,Part of Protein,,,,,[Ca+2],
,,,GLC:A:1300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1489,Part of Protein,,,,,[Na+],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1W9X,,,,,,,
,,,BGC GLC AC1 GLC GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C([NH2+]C4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)OC6CO)OC5CO)OC4C)CC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)C3)C(C)O2)C(CO)O1,
,,,CA:A:1486,Part of Protein,,,,,[Ca+2],
,,,CA:A:1487,Part of Protein,,,,,[Ca+2],
,,,CA:A:1488,Part of Protein,,,,,[Ca+2],
,,,NA:A:1489,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4E2O,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,BGC G6D GLC ACI G6D ACI:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3C)CC2CO)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(O)C(CO)C2)C(C)O1,
,Family. Representative Entry is ,2BHZ,,,,,,,
,,,BME:A:1610,invalid,,,,,C(CS)O,
,,,MG:A:1612,Part of Protein,,,,,[Mg+2],
,,,MG:A:1613,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1611,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BXY,,,,,,,
,,,BME:A:1608,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1609,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BY0,,,,,,,
,,,BME:A:1607,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1608,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BY2,,,,,,,
,,,BME:A:1607,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1608,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BXZ,,,,,,,
,,,BME:A:1608,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1609,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BHY,,,,,,,
,,,BME:A:1612,invalid,,,,,C(CS)O,
,,,GLC:A:1613,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1614,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1615,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:1604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BY1,,,,,,,
,,,BME:A:1607,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1608,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2BY3,,,,,,,
,,,BME:A:1607,invalid,,,,,C(CS)O,
,,,GLC:A:1605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1606,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:1608,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1MXG,,,,,,,
,,,CA:A:438,Part of Protein,,,,,[Ca+2],
,,,EOH:A:448,invalid,,,,,CCO,
,,,EOH:A:449,invalid,,,,,CCO,
,,,EOH:A:450,invalid,,,,,CCO,
,,,EOH:A:451,invalid,,,,,CCO,
,,,ETE:A:445,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:446,invalid,,,,,COCCOCCOCCOCCO,
,,,MG:A:439,Part of Protein,,,,,[Mg+2],
,,,MG:A:440,Part of Protein,,,,,[Mg+2],
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,TRS:A:447,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:437,Part of Protein,,,,,[Zn+2],
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,1MXD,,,,,,,
,,,ACT:A:737,invalid,,,,,CC(=O)[O-],
,,,CA:A:731,Part of Protein,,,,,[Ca+2],
,,,GLC:A:736,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,ZN:A:725,Part of Protein,,,,,[Zn+2],
,,,ZN:A:726,Part of Protein,,,,,[Zn+2],
,,,ZN:A:727,Part of Protein,,,,,[Zn+2],
,,,ZN:A:728,Part of Protein,,,,,[Zn+2],
,,,ZN:A:729,Part of Protein,,,,,[Zn+2],
,,,ZN:A:730,Part of Protein,,,,,[Zn+2],
,,,GLC GLC AC1:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,1G94,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CL:A:900,invalid,,,,,[Cl-],
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC GLC DAF DAF:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C([NH2+]C6C(O)C(O)C(O)C(CO)C6)C(C)O5)C(CO)O4)C(CO)C3)C(C)O2)C(CO)O1,
,,1KXH,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CL:A:900,invalid,,,,,[Cl-],
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,1G9H,,,,,,,
,,,CA:A:800,Part of Protein,,,,,[Ca+2],
,,,CL:A:900,invalid,,,,,[Cl-],
,,,TRS:A:700,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BGC DAF:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C([NH2+]C2C(O)C(O)C(O)C(CO)C2)C(C)O1,
,Family. Representative Entry is ,2GVY,,,,,,,
,,,BGC GLC:H:1,valid,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,,,BGC GLC:E:1,valid,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,7TAA,,,,,,,
,,,ABC:A:479,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)C)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)O)O)O)O)CO,
,,,CA:A:480,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3ZOA,,,,,,,
,,,MG:A:1593,Part of Protein,,,,,[Mg+2],
,,,MG:B:1592,Part of Protein,,,,,[Mg+2],
,,,CL:A:1590,invalid,,,,,[Cl-],
,,,CL:A:1589,invalid,,,,,[Cl-],
,,,CL:A:1592,invalid,,,,,[Cl-],
,,,CL:B:1589,invalid,,,,,[Cl-],
,,,CL:B:1591,invalid,,,,,[Cl-],
,,,CL:B:1588,invalid,,,,,[Cl-],
,,,CL:A:1591,invalid,,,,,[Cl-],
,,,CA:B:1590,Part of Protein,,,,,[Ca+2],
,,,CA:A:1588,Part of Protein,,,,,[Ca+2],
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,1E3Z,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI:D:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C([NH2+]C6C(O)C(O)C(O)C(CO)=C6)C(C)O5)C(CO)O4)C(CO)=C3)C(C)O2)C(CO)O1,
,,1E40,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,TRS:A:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1VB9,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,2D2O,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,GLC:C:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC GLC GLC:C:2,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
2.5.1.87,,,,,,,,,
,Family. Representative Entry is ,6Z1N,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,FPP:A:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6W2L,,,,,,,
,,,IPE:A:402,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:A:403,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
1.13.11.-,,,,,,,,,
,Family. Representative Entry is ,2NP9,,,,,,,
,,,OXY:A:888,invalid,,,,,O=O,
,,,OXY:B:888,invalid,,,,,O=O,
,,,OXY:C:888,invalid,,,,,O=O,
,,,YE1:A:999,valid,Ki,=,2.7,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:B:999,valid,Ki,=,2.7,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:C:999,valid,Ki,=,2.7,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,5KAG,,,,,,,
,,,YE1:J:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:H:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:F:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:C:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:L:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:E:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:I:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:G:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,YE1:K:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)Cc4cc(cc(c4)O)O)O,
,,,OXY:I:502,invalid,,,,,O=O,
,,,OXY:L:502,invalid,,,,,O=O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:E:502,invalid,,,,,O=O,
,,,OXY:G:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,,OXY:K:502,invalid,,,,,O=O,
,,,OXY:J:502,invalid,,,,,O=O,
,,,OXY:H:502,invalid,,,,,O=O,
,,,OXY:F:502,invalid,,,,,O=O,
,,,OXY:A:502,invalid,,,,,O=O,
,Family. Representative Entry is ,3WRB,,,,,,,
,,,GDE:A:502,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,GDE:B:502,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,3WR3,,,,,,,
,,,GDE:A:502,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,3WR9,,,,,,,
,,,FE2:A:502,Part of Protein,,,,,[Fe+2],
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:502,Part of Protein,,,,,[Fe+2],
,,,GDE:A:503,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,,GDE:B:503,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,3WR4,,,,,,,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,GDE:B:502,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,3WPM,,,,,,,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,GDE:B:502,valid,,,,,c1c(cc(c(c1O)O)O)C(=O)O,
,,3WRC,,,,,,,
,,,DHB:B:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
2.3.1.179,,,,,,,,,
,Family. Representative Entry is ,3I8P,,,,,,,
,,,840:A:501,valid,ic50,=,19,nM,C[C@@]1([C@H]2[C@@]34C[C@]35CC2(C=CC1=O)[C@H]([C@@]5(O4)C)O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O,
,,3G11,,,,,,,
,,,P9C:A:413,valid,,,,,C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O)O2,
,,3HO2,,,,,,,
,,,N32:A:413,valid,ic50,=,113,nM,C[C@@]1([C@@H]2C[C@@H]3CC[C@]2(CC3=C)C=CC1=O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O,
,,3HO9,,,,,,,
,,,N3A:A:413,valid,ic50,=,789,nM,C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)Nc4c(ccc(c4O)C(=O)O)O,
,Family. Representative Entry is ,4LS7,,,,,,,
,,,K:A:501,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:501,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,1X9:B:503,valid,,,,,C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N,
,,,1X9:A:504,valid,,,,,C/C=C/C/C=C/CCC(=O)[C@@H]1[C@@H](O1)C(=O)N,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
2.3.-.-,,,,,,,,,
,Family. Representative Entry is ,2WK9,,,,,,,
,,,PLG:B:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLP:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KKI,,,,,,,
,,,DTT:A:501,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:502,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MG:A:391,invalid,,,,,[Mg+2],
,,,MG:B:391,invalid,,,,,[Mg+2],
,,,PLP:A:390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:390,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WKA,,,,,,,
,,,CL:B:1390,invalid,,,,,[Cl-],
,,,P89:A:605,valid,,,,,CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,P89:B:605,valid,,,,,CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O,
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WK8,,,,,,,
,,,PLP:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
1.6.99.-,,,,,,,,,
,Family. Representative Entry is ,1BKJ,,,,,,,
,,,FMN:A:241,valid,Kd,=,0.17,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:241,valid,Kd,=,0.17,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:999,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:999,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2BKJ,,,,,,,
,,,FMN:A:241,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:241,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:B:243,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1V5Y,,,,,,,
,,,4HC:A:1455,valid,,,,,c1ccc2c(c1)C(=CC(=O)O2)O,
,,,4HC:B:1201,valid,,,,,c1ccc2c(c1)C(=CC(=O)O2)O,
,,,FMN:A:1454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1V5Z,,,,,,,
,,,2HC:A:815,valid,,,,,c1ccc(c(c1)C=CC(=O)O)O,
,,,2HC:B:1815,valid,,,,,c1ccc(c(c1)C=CC(=O)O)O,
,,,FMN:A:1454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1VFR,,,,,,,
,,,FMN:A:454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:454,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5NA1,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MLI:A:1003,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1004,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5N2I,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
4.1.99.17,,,,,,,,,
,Family. Representative Entry is ,4S28,,,,,,,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAH:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,BU1:A:707,invalid,,,,,C(CCO)CO,
,,,BU1:A:706,invalid,,,,,C(CCO)CO,
,,,AIR:A:702,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,FE2:A:704,Part of Protein,,,,,[Fe+2],
,,4S27,,,,,,,
,,,BU1:A:707,invalid,,,,,C(CCO)CO,
,,,BU1:A:708,invalid,,,,,C(CCO)CO,
,,,MET:A:704,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,AIR:A:702,valid,,,,,c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:706,invalid,,,,,[Cl-],
,,,5AD:A:703,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,FE2:A:705,Part of Protein,,,,,[Fe+2],
,,4S25,,,,,,,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAH:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,BU1:A:707,invalid,,,,,C(CCO)CO,
,,,BU1:A:706,invalid,,,,,C(CCO)CO,
,,,IRN:A:702,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4S26,,,,,,,
,,,ZN:B:705,Part of Protein,,,,,[Zn+2],
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,,SF4:B:702,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:701,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,IRN:B:703,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,IRN:A:702,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SAH:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,4S29,,,,,,,
,,,BU1:A:703,invalid,,,,,C(CCO)CO,
,,,FE2:A:702,Part of Protein,,,,,[Fe+2],
,,,IRN:A:701,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
2.3.1.87,,,,,,,,,
,Family. Representative Entry is ,1KUV,,,,,,,
,,,CA5:A:901,valid,Ki,=,22,nM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cc(cc5)Br)O,
,,,MG:A:208,invalid,,,,,[Mg+2],
,,1L0C,,,,,,,
,,,COT:A:900,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O,
,,1KUX,,,,,,,
,,,CA3:A:900,valid,Ki,=,340,nM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc4c[nH]c5c4cccc5)O,
,,1KUY,,,,,,,
,,,COT:A:901,valid,Ki,=,48,nM,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O,
2.1.3.3,,,,,,,,,
,Family. Representative Entry is ,2I6U,,,,,,,
,,,CP:A:500,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:B:501,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,CP:C:502,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,NVA:A:600,valid,,,,,CCC[C@@H](C(=O)O)N,
,,,NVA:B:601,valid,,,,,CCC[C@@H](C(=O)O)N,
,,,NVA:C:602,valid,,,,,CCC[C@@H](C(=O)O)N,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1DUV,,,,,,,
,,,MPD:G:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PSQ:G:401,valid,Kd,=,1.6,pM,C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O,
,,,PSQ:H:402,valid,Kd,=,1.6,pM,C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O,
,,,PSQ:I:403,valid,Kd,=,1.6,pM,C(C[C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O,
,Family. Representative Entry is ,1OTH,,,,,,,
,,,PAO:A:355,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O,
,,1EP9,,,,,,,
,,,CP:A:355,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,1C9Y,,,,,,,
,,,CP:A:356,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,NVA:A:355,valid,,,,,CCC[C@@H](C(=O)O)N,
3.5.4.13,,,,,,,,,
,Family. Representative Entry is ,1XS1,,,,,,,
,,,DUT:A:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:4194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:2194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:3194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:5194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:E:6194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:1195,invalid,,,,,[Mg+2],
,,,MG:D:4195,invalid,,,,,[Mg+2],
,,,MG:A:2195,invalid,,,,,[Mg+2],
,,,MG:B:3195,invalid,,,,,[Mg+2],
,,,MG:D:5195,invalid,,,,,[Mg+2],
,,,MG:E:6195,invalid,,,,,[Mg+2],
,,2V9X,,,,,,,
,,,DUT:A:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:F:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:G:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:J:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:L:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:C:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:E:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:H:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:I:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:K:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:B:1195,invalid,,,,,[Mg+2],
,,,MG:C:1005,invalid,,,,,[Mg+2],
,,,MG:D:1195,invalid,,,,,[Mg+2],
,,,MG:E:1195,invalid,,,,,[Mg+2],
,,,MG:H:1195,invalid,,,,,[Mg+2],
,,,MG:I:1195,invalid,,,,,[Mg+2],
,,,MG:K:1195,invalid,,,,,[Mg+2],
,,,MG:A:1195,invalid,,,,,[Mg+2],
,,,MG:F:1195,invalid,,,,,[Mg+2],
,,,MG:G:1195,invalid,,,,,[Mg+2],
,,,MG:J:1195,invalid,,,,,[Mg+2],
,,,MG:L:1195,invalid,,,,,[Mg+2],
,,,SO4:C:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XS6,,,,,,,
,,,DUT:A:1194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:E:5194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:D:4194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:2194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:3194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:E:6194,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:D:4195,invalid,,,,,[Mg+2],
,,,MG:C:1195,invalid,,,,,[Mg+2],
,,,MG:D:5195,invalid,,,,,[Mg+2],
,,,MG:D:5196,invalid,,,,,[Mg+2],
,,,MG:A:2195,invalid,,,,,[Mg+2],
,,,MG:B:3195,invalid,,,,,[Mg+2],
,,,MG:E:6195,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2QXX,,,,,,,
,,,1PE:A:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:204,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,TTP:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1PKK,,,,,,,
,,,DCP:B:293,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,EDO:A:294,invalid,,,,,C(CO)O,
,,,EDO:A:296,invalid,,,,,C(CO)O,
,,,EDO:A:298,invalid,,,,,C(CO)O,
,,,EDO:B:295,invalid,,,,,C(CO)O,
,,,EDO:B:297,invalid,,,,,C(CO)O,
,,,EDO:B:299,invalid,,,,,C(CO)O,
,,,EDO:B:300,invalid,,,,,C(CO)O,
,,1PKJ,,,,,,,
,,,DUT:B:250,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,EDO:A:298,invalid,,,,,C(CO)O,
,,,EDO:B:299,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4XJC,,,,,,,
,,,TTP:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:D:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:F:201,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,MG TTP:D:202,valid,,,,,,
,,,MG TTP:D:202,valid,,,,,,
,,,MG TTP:D:202,valid,,,,,,
,,,MG TTP:D:202,valid,,,,,,
,,,MG TTP:D:202,invalid,,,,,,
,,,MG TTP:D:202,invalid,,,,,,
,,,MG TTP:D:202,invalid,,,,,,
,,,MG TTP:D:202,invalid,,,,,,
2.1.1.192,,,,,,,,,
,Family. Representative Entry is ,3RFA,,,,,,,
,,,SAM:A:406,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:406,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:405,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:405,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
18.-.-.-,,,,,,,,,
,Family. Representative Entry is ,6GBV,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6GB3,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6GAY,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GBA,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1M5B,,,,,,,
,,,BN1:A:2100,valid,ic50,=,9.7,nM,Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N,
,,,BN1:B:2101,valid,ic50,=,9.7,nM,Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N,
,,,BN1:C:2102,valid,ic50,=,9.7,nM,Cn1nc(nn1)c2c(c(no2)O)CC(C(=O)O)N,
,,,ZN:A:2103,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2104,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2105,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2106,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2107,Part of Protein,,,,,[Zn+2],
,,4O3B,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,PG4:B:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,GLU:B:301,valid,Ki,=,0.82,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5CBS,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,CL:C:307,invalid,,,,,[Cl-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,E42:B:301,valid,Kd,=,3.9,uM,c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N,
,,,E42:D:301,valid,Kd,=,3.9,uM,c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N,
,,,E42:A:301,valid,Kd,=,3.9,uM,c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N,
,,,E42:C:301,valid,Kd,=,3.9,uM,c1cc(cc(c1)c2cccc(c2)O)C[C@H](C(=O)O)N,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,3PD8,,,,,,,
,,,ACY:A:263,invalid,,,,,CC(=O)O,
,,,CAC:C:263,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:262,invalid,,,,,C(C(CO)O)O,
,,,HA7:A:261,valid,Ki,=,108,nM,C1CN[C@@H](c2c1c(no2)O)C(=O)O,
,,,HA7:B:262,valid,Ki,=,108,nM,C1CN[C@@H](c2c1c(no2)O)C(=O)O,
,,,HA7:C:262,valid,Ki,=,108,nM,C1CN[C@@H](c2c1c(no2)O)C(=O)O,
,,,ZN:A:260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,,ZN:C:260,Part of Protein,,,,,[Zn+2],
,,,ZN:C:261,Part of Protein,,,,,[Zn+2],
,,1P1O,,,,,,,
,,,QUS:A:301,valid,Kd,=,1.74,uM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MQH,,,,,,,
,,,BWD:A:301,valid,ic50,=,0.3,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,1FTK,,,,,,,
,,,KAI:A:999,valid,ic50,=,14.5,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,3TKD,,,,,,,
,,,CYZ:A:266,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,CYZ:B:267,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,GOL:B:270,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M5F,,,,,,,
,,,ACT:B:1203,invalid,,,,,CC(=O)[O-],
,,,AM1:A:1200,valid,ic50,=,14.8,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,AM1:B:1201,valid,ic50,=,14.8,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,AM1:C:1202,valid,ic50,=,14.8,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1205,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1206,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1207,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1209,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1208,Part of Protein,,,,,[Zn+2],
,,5FTI,,,,,,,
,,,LI:A:901,Part of Protein,,,,,[Li+],
,,,LI:B:901,Part of Protein,,,,,[Li+],
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,1XHY,,,,,,,
,,,KAI:A:1001,valid,Ki,=,624,nM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1M5C,,,,,,,
,,,BRH:A:611,valid,ic50,=,0.5,uM,C(c1c(c(no1)O)Br)C(C(=O)O)N,
,,1SYI,,,,,,,
,,,CPW:A:381,valid,Ki,=,3330,nM,C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,,CPW:B:382,valid,Ki,=,3330,nM,C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,5O9A,,,,,,,
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,CL:D:307,invalid,,,,,[Cl-],
,,,CL:D:306,invalid,,,,,[Cl-],
,,,CL:C:308,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,CIT:C:309,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,7M6:D:305,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,,7M6:A:305,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,,7M6:B:304,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,,7M6:C:307,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,,PEG:C:311,invalid,,,,,C(COCCO)O,
,,,GLU:C:312,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:308,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:310,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:307,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1MY3,,,,,,,
,,,BWD:A:800,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,BWD:B:801,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,BWD:C:802,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:704,Part of Protein,,,,,[Zn+2],
,,,ZN:C:703,Part of Protein,,,,,[Zn+2],
,,,ZN:C:705,Part of Protein,,,,,[Zn+2],
,,3ILU,,,,,,,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,HFZ:B:800,valid,,,,,c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F,
,,,HFZ:E:800,valid,,,,,c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F,
,,,HFZ:H:800,valid,,,,,c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F,
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1,Part of Protein,,,,,[Zn+2],
,,,ZN:E:262,Part of Protein,,,,,[Zn+2],
,,,ZN:E:3,Part of Protein,,,,,[Zn+2],
,,,ZN:H:2,Part of Protein,,,,,[Zn+2],
,,3PMV,,,,,,,
,,,557:A:270,valid,,,,,C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)n2cc(c(n2)C(F)(F)F)CO,
,,,GOL:A:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:274,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5H8S,,,,,,,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,CAC:A:305,invalid,,,,,C[As](=O)(C)[O-],
,,,5YC:A:302,valid,,,,,CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3,
,,,5YC:C:302,valid,,,,,CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3,
,,6HC9,,,,,,,
,,,GLU:A:303,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:307,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,PEG:B:314,invalid,,,,,C(COCCO)O,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:309,invalid,,,,,C(COCCOCCO)O,
,,,FXW:B:313,valid,,,,,c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6,
,,6YK3,,,,,,,
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,PVQ:A:309,valid,Ki,=,17.5,uM,C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NH4:A:310,invalid,,,,,[NH4+],
,,2XHD,,,,,,,
,,,7T9:B:1266,valid,,,,,CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3B7D,,,,,,,
,,,CNI:A:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:B:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:C:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:D:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:E:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:F:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:G:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:H:262,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,4U1Z,,,,,,,
,,,FWF:A:302,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C,
,,,KAI:A:301,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,1WVJ,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,IBC:A:1001,valid,Ki,=,185,nM,C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1P1U,,,,,,,
,,,AMQ:A:302,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:264,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Q30,,,,,,,
,,,ZN:D:602,Part of Protein,,,,,[Zn+2],
,,,ZN:D:603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:603,Part of Protein,,,,,[Zn+2],
,,,ZN:F:602,Part of Protein,,,,,[Zn+2],
,,,NWD:B:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,NWD:F:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,NWD:D:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,6YK2,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,CL:A:310,invalid,,,,,[Cl-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CGW:A:309,valid,Ki,=,0.762,uM,C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,4U23,,,,,,,
,,,FWF:A:402,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C,
,,,FWD:A:401,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,6Q60,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,HJH:A:301,valid,,,,,Cn1nc(c(n1)O)C[C@@H](C(=O)O)N,
,,,HJH:B:301,valid,,,,,Cn1nc(c(n1)O)C[C@@H](C(=O)O)N,
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,LI:A:312,Part of Protein,,,,,[Li+],
,,,LI:B:311,Part of Protein,,,,,[Li+],
,,1MQG,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,IWD:A:301,valid,ic50,=,0.52,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,IWD:B:302,valid,ic50,=,0.52,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BBR,,,,,,,
,,,BHY:A:268,valid,,,,,C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:268,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LSF,,,,,,,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PZI:B:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:B:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:E:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:E:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:H:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:H:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,ZN:E:1,Part of Protein,,,,,[Zn+2],
,,,ZN:E:3,Part of Protein,,,,,[Zn+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,ZN:H:2,Part of Protein,,,,,[Zn+2],
,,,ZN:H:401,Part of Protein,,,,,[Zn+2],
,,3PMX,,,,,,,
,,,808:A:277,valid,,,,,CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F,
,,,DMS:A:271,invalid,,,,,CS(=O)C,
,,,DMS:A:272,invalid,,,,,CS(=O)C,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:A:275,invalid,,,,,C(CO)O,
,,,EDO:A:276,invalid,,,,,C(CO)O,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ANJ,,,,,,,
,,,KAI:A:999,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,2XX8,,,,,,,
,,,1NE:A:310,valid,,,,,CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3,
,,,1NE:B:310,valid,,,,,CN(C)C(=O)c1ccc(cc1)n2c3c(c(n2)C(F)(F)F)CCCC3,
,,,GLU:A:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1266,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1264,Part of Protein,,,,,[Zn+2],
,,1P1Q,,,,,,,
,,,AMQ:A:602,valid,Kd,=,12.8,uM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:603,valid,Kd,=,12.8,uM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:C:601,valid,Kd,=,12.8,uM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:C:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:505,Part of Protein,,,,,[Zn+2],
,,2AL5,,,,,,,
,,,4MP:A:801,valid,,,,,COc1ccc(cc1)C(=O)N2CCCC2=O,
,,,FWD:A:901,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,,FWD:B:902,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,5YBG,,,,,,,
,,,ZN:C:804,Part of Protein,,,,,[Zn+2],
,,,ZN:D:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:905,Part of Protein,,,,,[Zn+2],
,,,ZN:C:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:902,Part of Protein,,,,,[Zn+2],
,,,ZN:E:903,Part of Protein,,,,,[Zn+2],
,,,ZN:F:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:906,Part of Protein,,,,,[Zn+2],
,,,GLU:E:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,8SO:C:802,valid,ic50,=,0.03,uM,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C,
,,,8SO:A:902,valid,ic50,=,0.03,uM,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C,
,,,8SO:E:902,valid,ic50,=,0.03,uM,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)CCNS(=O)(=O)C,
,,,ACT:E:904,invalid,,,,,CC(=O)[O-],
,,,ACT:C:805,invalid,,,,,CC(=O)[O-],
,,,ACT:D:904,invalid,,,,,CC(=O)[O-],
,,,ACT:C:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:905,invalid,,,,,C(C(CO)O)O,
,,1M5E,,,,,,,
,,,ACT:B:1703,invalid,,,,,CC(=O)[O-],
,,,AM1:A:1700,valid,ic50,=,20.1,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,AM1:B:1701,valid,ic50,=,20.1,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,AM1:C:1702,valid,ic50,=,20.1,nM,Cc1c(c(no1)C(=O)O)CC(C(=O)O)N,
,,,ZN:A:1704,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1705,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1710,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1706,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1707,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1709,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1711,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1708,Part of Protein,,,,,[Zn+2],
,,3BKI,,,,,,,
,,,FQX:B:264,valid,ic50,=,7.6,uM,c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-],
,,,FQX:C:264,valid,ic50,=,7.6,uM,c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-],
,,,FQX:D:264,valid,ic50,=,7.6,uM,c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-],
,,,FQX:P:264,valid,ic50,=,7.6,uM,c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-],
,,2AIX,,,,,,,
,,,U1K:A:261,valid,,,,,CC(C)(C)c1c(c(ns1)[O-])C[C@@H](C(=O)O)[NH3+],
,,3B6W,,,,,,,
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2I3W,,,,,,,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,3O6H,,,,,,,
,,,DMS:A:269,invalid,,,,,CS(=O)C,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:A:271,invalid,,,,,C(CO)O,
,,,O25:A:268,valid,,,,,CCNCc1cn(nc1C(F)(F)F)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HCC,,,,,,,
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,ACT:A:315,invalid,,,,,CC(=O)[O-],
,,,ACT:A:314,invalid,,,,,CC(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:310,invalid,,,,,C(COCCO)O,
,,,PEG:B:307,invalid,,,,,C(COCCO)O,
,,,FXW:A:301,valid,,,,,c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6,
,,3KGC,,,,,,,
,,,LY7:A:264,valid,,,,,C[C@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZK1:B:263,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,3BFU,,,,,,,
,,,R2P:A:264,valid,Ki,=,531,nM,C(c1c(nsn1)O)[C@H](C(=O)O)N,
,,,R2P:B:264,valid,Ki,=,531,nM,C(c1c(nsn1)O)[C@H](C(=O)O)N,
,,,R2P:C:264,valid,Ki,=,531,nM,C(c1c(nsn1)O)[C@H](C(=O)O)N,
,,,R2P:D:264,valid,Ki,=,531,nM,C(c1c(nsn1)O)[C@H](C(=O)O)N,
,,3UA8,,,,,,,
,,,08W:A:264,valid,ic50,=,14,nM,CNC(=O)c1cn(cn1)c2cc3c(cc2C(F)(F)F)NC(=O)N(C3=O)NS(=O)(=O)C,
,,4LZ7,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,GLU:A:802,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:803,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:803,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,1YW:C:804,valid,,,,,CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3,
,,,1YW:B:804,valid,,,,,CC(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CCCC3,
,,1FTL,,,,,,,
,,,DNQ:A:365,valid,ic50,=,998,nM,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-],
,,,DNQ:B:364,valid,ic50,=,998,nM,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-],
,,,SO4:B:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3B6Q,,,,,,,
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RN8,,,,,,,
,,,ACT:B:285,invalid,,,,,CC(=O)[O-],
,,,ACT:C:283,invalid,,,,,CC(=O)[O-],
,,,RN8:A:281,valid,,,,,CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N,
,,,RN8:B:281,valid,,,,,CCc1c(c(c(s1)C(=O)O)c2ccc(cc2)c3c(c(sc3C(=O)O)CC)C#N)C#N,
,,,SO4:B:286,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:282,Part of Protein,,,,,[Zn+2],
,,,ZN:B:283,Part of Protein,,,,,[Zn+2],
,,,ZN:B:284,Part of Protein,,,,,[Zn+2],
,,,ZN:C:281,Part of Protein,,,,,[Zn+2],
,,,ZN:C:282,Part of Protein,,,,,[Zn+2],
,,1P1W,,,,,,,
,,,AMQ:A:428,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:427,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MQI,,,,,,,
,,,FWD:A:401,valid,ic50,=,23.53,nM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,3O29,,,,,,,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,O29:A:271,valid,,,,,CN(C)CCNC(=O)c1c2c(sc1NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)CCCC2,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FTJ,,,,,,,
,,,GLU:A:274,valid,ic50,=,821,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:276,valid,ic50,=,821,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:275,valid,ic50,=,821,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:270,Part of Protein,,,,,[Zn+2],
,,,ZN:B:272,Part of Protein,,,,,[Zn+2],
,,,ZN:C:271,Part of Protein,,,,,[Zn+2],
,,,ZN:C:273,Part of Protein,,,,,[Zn+2],
,,3PD9,,,,,,,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:A:268,invalid,,,,,[Cl-],
,,,CL:B:265,invalid,,,,,[Cl-],
,,,GOL:A:264,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:262,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:263,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:264,invalid,,,,,C(C(CO)O)O,
,,,HA5:A:260,valid,Ki,=,494,nM,C1c2c(onc2O)CN[C@H]1C(=O)O,
,,,HA5:B:260,valid,Ki,=,494,nM,C1c2c(onc2O)CN[C@H]1C(=O)O,
,,,SO4:A:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HCA,,,,,,,
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,FXW:B:301,valid,,,,,c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC5)N(CNS2(=O)=O)C6CC6,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:309,invalid,,,,,C(COCCO)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,3EN3,,,,,,,
,,,KAI:A:999,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,1SYH,,,,,,,
,,,CPW:A:501,valid,Ki,=,393,nM,C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,4X48,,,,,,,
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:803,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,XPF:B:804,valid,,,,,CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N,
,,,XPF:C:804,valid,,,,,CC(C)S(=O)(=O)N[C@H]1COC[C@H]1Oc2ccc(cc2)c3ccc(s3)C#N,
,,3H6W,,,,,,,
,,,DMS:B:267,invalid,,,,,CS(=O)C,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,NS7:A:265,valid,,,,,Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4,
,,,NS7:B:265,valid,,,,,Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MY4,,,,,,,
,,,IWD:A:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,IWD:B:602,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,IWD:C:603,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:704,Part of Protein,,,,,[Zn+2],
,,,ZN:C:703,Part of Protein,,,,,[Zn+2],
,,,ZN:C:705,Part of Protein,,,,,[Zn+2],
,,4IGT,,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,3ZA:A:801,valid,Kd,=,12.8,nM,CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O,
,,,LI:A:805,Part of Protein,,,,,[Li+],
,,3M3L,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,P99:A:800,valid,,,,,c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F,
,,,P99:G:801,valid,,,,,c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:G:3,Part of Protein,,,,,[Zn+2],
,,6GL4,,,,,,,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,BR:B:303,invalid,,,,,[Br-],
,,,BR:B:302,invalid,,,,,[Br-],
,,,BR:B:304,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,BR:A:304,invalid,,,,,[Br-],
,,,BR:A:303,invalid,,,,,[Br-],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,5CBR,,,,,,,
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,4ZK:A:301,valid,Kd,=,1.8,uM,c1c(cc(c(c1c2cc(cnc2)O)Cl)Cl)C[C@@H](C(=O)O)N,
,,4GXS,,,,,,,
,,,0YS:B:301,valid,,,,,c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O,
,,,0YS:D:301,valid,,,,,c1c(cc(c(c1Cl)O)Cl)C(=O)N[C@@H](C[C@H]2CC[C@@](N2)([C@H]([C@H](C(=O)O)N)O)C(=O)O)C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,4U21,,,,,,,
,,,FWD:B:401,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,,FWD:A:401,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,,FWF:B:402,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C,
,,4YMA,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,4E5:B:304,valid,,,,,c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O,
,,,4E5:A:307,valid,,,,,c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O,
,,1FW0,,,,,,,
,,,KAI:A:999,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,1LB8,,,,,,,
,,,AMQ:A:427,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:428,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,3FAS,,,,,,,
,,,GLU:A:270,valid,Ki,=,171,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:271,valid,Ki,=,171,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4U22,,,,,,,
,,,FWF:A:402,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C,
,,,FWD:A:401,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,6FQJ,,,,,,,
,,,ZK1:E:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:G:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:C:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:F:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:B:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:H:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:A:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:D:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,4ISU,,,,,,,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IKM:B:301,valid,Ki,=,0.21,mM,C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O,
,,,IKM:A:301,valid,Ki,=,0.21,mM,C1C=C[C@H]2[C@@H](N1)[C@@H]3C(=O)N[C@H]([C@@]3(O2)CC(=O)O)C(=O)O,
,,1MXU,,,,,,,
,,,BWD:A:300,valid,ic50,=,4,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,BWD:B:301,valid,ic50,=,4,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,BWD:C:302,valid,ic50,=,4,uM,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:704,Part of Protein,,,,,[Zn+2],
,,,ZN:C:703,Part of Protein,,,,,[Zn+2],
,,,ZN:C:705,Part of Protein,,,,,[Zn+2],
,,4U4X,,,,,,,
,,,3C2:A:801,valid,Kd,=,9.8,uM,CCN1CNS(=O)(=O)c2c1cccn2,
,,,3C2:B:801,valid,Kd,=,9.8,uM,CCN1CNS(=O)(=O)c2c1cccn2,
,,,GLU:B:805,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:804,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:B:808,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,PEG:A:810,invalid,,,,,C(COCCO)O,
,,,PEG:A:809,invalid,,,,,C(COCCO)O,
,,1MM7,,,,,,,
,,,QUS:A:801,valid,ic50,=,20,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:B:802,valid,ic50,=,20,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:C:803,valid,ic50,=,20,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,ZN:C:903,Part of Protein,,,,,[Zn+2],
,,,ZN:C:905,Part of Protein,,,,,[Zn+2],
,,2XX9,,,,,,,
,,,1NF:A:310,valid,,,,,c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O,
,,,1NF:B:310,valid,,,,,c1cc(c(cc1n2c3c(c(n2)C(F)(F)F)CCCC3)F)CN4CCCC4=O,
,,,GLU:A:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1264,Part of Protein,,,,,[Zn+2],
,,3M3K,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,2XXH,,,,,,,
,,,1NG:A:310,valid,,,,,c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4,
,,,1NG:B:310,valid,,,,,c1cc(ccc1CC(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4,
,,,GLU:A:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1305,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1303,Part of Protein,,,,,[Zn+2],
,,5ZG3,,,,,,,
,,,ACT:B:904,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1004,invalid,,,,,CC(=O)[O-],
,,,ACT:D:806,invalid,,,,,CC(=O)[O-],
,,,ACT:F:806,invalid,,,,,CC(=O)[O-],
,,,ACT:F:805,invalid,,,,,CC(=O)[O-],
,,,ACT:C:804,invalid,,,,,CC(=O)[O-],
,,,ACT:D:807,invalid,,,,,CC(=O)[O-],
,,,ACT:B:903,invalid,,,,,CC(=O)[O-],
,,,ACT:C:805,invalid,,,,,CC(=O)[O-],
,,,ACT:F:807,invalid,,,,,CC(=O)[O-],
,,,ACT:C:806,invalid,,,,,CC(=O)[O-],
,,,ZN:B:905,Part of Protein,,,,,[Zn+2],
,,,ZN:D:801,invalid,,,,,[Zn+2],
,,,ZN:D:808,Part of Protein,,,,,[Zn+2],
,,,ZN:F:803,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,ZN:F:801,Part of Protein,,,,,[Zn+2],
,,,ZN:F:804,Part of Protein,,,,,[Zn+2],
,,,ZN:D:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:D:805,Part of Protein,,,,,[Zn+2],
,,,9C6:A:1001,valid,Ki,=,0.061,uM,c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4,
,,,9C6:D:802,valid,Ki,=,0.061,uM,c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4,
,,,9C6:E:1001,valid,Ki,=,0.061,uM,c1ccc(cc1)Oc2ccc(cc2)C3=CC=CN4C3=NS(=O)(=O)CC4,
,,,GLU:B:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:802,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:803,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:802,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5FHM,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,5XP:A:304,valid,,,,,c1cc(cc(c1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N)CN,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,LI:A:312,Part of Protein,,,,,[Li+],
,,,LI:B:301,Part of Protein,,,,,[Li+],
,,4N07,,,,,,,
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:C:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,invalid,,,,,[Zn+2],
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,,ZN:C:309,Part of Protein,,,,,[Zn+2],
,,,ZN:C:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,CAC:A:313,invalid,,,,,C[As](=O)(C)[O-],
,,,GLU:B:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:C:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:C:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,2J9:A:301,valid,Kd,=,0.35,uM,c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3,
,,,2J9:B:301,valid,Kd,=,0.35,uM,c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3,
,,,2J9:C:301,valid,Kd,=,0.35,uM,c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,3IJO,,,,,,,
,,,B4D:B:401,valid,,,,,C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl,
,,,B4D:B:800,valid,,,,,C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl,
,,,B4D:H:800,valid,,,,,C=CCSC[C@H]1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:E:700,Part of Protein,,,,,[Zn+2],
,,,ZN:E:701,Part of Protein,,,,,[Zn+2],
,,,ZN:E:702,Part of Protein,,,,,[Zn+2],
,,,ZN:H:401,Part of Protein,,,,,[Zn+2],
,,,ZN:H:700,Part of Protein,,,,,[Zn+2],
,,3RNN,,,,,,,
,,,RNN:A:280,valid,,,,,CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C,
,,,RNN:B:280,valid,,,,,CC(C)S(=O)(=O)NCCc1ccc(cc1)CCNS(=O)(=O)C(C)C,
,,,ZN:A:282,Part of Protein,,,,,[Zn+2],
,,,ZN:B:282,Part of Protein,,,,,[Zn+2],
,,,ZN:B:283,Part of Protein,,,,,[Zn+2],
,,,ZN:C:281,Part of Protein,,,,,[Zn+2],
,,,ZN:C:282,Part of Protein,,,,,[Zn+2],
,,2AL4,,,,,,,
,,,CX6:C:801,valid,,,,,c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O,
,,,CX6:E:802,valid,,,,,c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O,
,,,CX6:F:803,valid,,,,,c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O,
,,,QUS:A:807,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:B:808,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:C:809,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:D:810,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:E:811,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:F:812,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:821,Part of Protein,,,,,[Zn+2],
,,,ZN:B:822,Part of Protein,,,,,[Zn+2],
,,,ZN:B:824,Part of Protein,,,,,[Zn+2],
,,,ZN:C:823,Part of Protein,,,,,[Zn+2],
,,,ZN:C:825,Part of Protein,,,,,[Zn+2],
,,,ZN:D:826,Part of Protein,,,,,[Zn+2],
,,,ZN:E:827,Part of Protein,,,,,[Zn+2],
,,,ZN:E:829,Part of Protein,,,,,[Zn+2],
,,,ZN:F:828,Part of Protein,,,,,[Zn+2],
,,,ZN:F:830,Part of Protein,,,,,[Zn+2],
,,4LZ5,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:803,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:804,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,1YV:B:805,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N,
,,,1YV:C:804,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)C#N,
,,4U4S,,,,,,,
,,,GLU:A:811,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:811,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:B:805,invalid,,,,,C(COCCO)O,
,,,ACT:B:807,invalid,,,,,CC(=O)[O-],
,,,ACT:B:809,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:B:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:809,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,3C1:B:801,valid,Kd,=,1200,uM,CCN1CNS(=O)(=O)c2c1ccnc2,
,,,3C1:A:801,valid,Kd,=,1200,uM,CCN1CNS(=O)(=O)c2c1ccnc2,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GLU CYS:A:772,invalid,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:810,invalid,,,,,[Cl-],
,,,CL:B:810,invalid,,,,,[Cl-],
,,4G8M,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:905,invalid,,,,,[Cl-],
,,,CL:B:906,invalid,,,,,[Cl-],
,,,G8M:A:301,valid,Kd,=,12.8,nM,C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O,
,,,G8M:B:901,valid,Kd,=,12.8,nM,C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H6T,,,,,,,
,,,ACT:A:271,invalid,,,,,CC(=O)[O-],
,,,ACT:C:272,invalid,,,,,CC(=O)[O-],
,,,CAC:B:274,invalid,,,,,C[As](=O)(C)[O-],
,,,CYZ:A:265,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,CYZ:B:265,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,CYZ:C:265,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,DMS:A:272,invalid,,,,,CS(=O)C,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:271,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:266,Part of Protein,,,,,[Zn+2],
,,,ZN:A:267,Part of Protein,,,,,[Zn+2],
,,,ZN:A:268,Part of Protein,,,,,[Zn+2],
,,,ZN:B:266,Part of Protein,,,,,[Zn+2],
,,,ZN:B:267,Part of Protein,,,,,[Zn+2],
,,,ZN:B:268,Part of Protein,,,,,[Zn+2],
,,,ZN:B:269,Part of Protein,,,,,[Zn+2],
,,,ZN:B:270,Part of Protein,,,,,[Zn+2],
,,,ZN:C:266,Part of Protein,,,,,[Zn+2],
,,,ZN:C:267,Part of Protein,,,,,[Zn+2],
,,3O6G,,,,,,,
,,,EDO:A:269,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:A:271,invalid,,,,,C(CO)O,
,,,EDO:A:272,invalid,,,,,C(CO)O,
,,,O27:A:268,valid,,,,,C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N[C@@H]5CCNC5)C(F)(F)F)C1,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NNP,,,,,,,
,,,CE2:A:1008,valid,,,,,CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+],
,,,CE2:B:1007,valid,,,,,CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5YBF,,,,,,,
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:905,Part of Protein,,,,,[Zn+2],
,,,ZN:C:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:F:903,Part of Protein,,,,,[Zn+2],
,,,ZN:D:902,Part of Protein,,,,,[Zn+2],
,,,ZN:F:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,8SR:E:902,valid,Kd,=,543,nM,Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F,
,,,8SR:A:902,valid,Kd,=,543,nM,Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F,
,,,8SR:C:805,valid,Kd,=,543,nM,Cc1cc(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F,
,,,GLU:E:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ACT:C:804,invalid,,,,,CC(=O)[O-],
,,,ACT:D:904,invalid,,,,,CC(=O)[O-],
,,1P1N,,,,,,,
,,,KAI:A:999,valid,Kd,=,0.16,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,1M5D,,,,,,,
,,,BRH:A:611,valid,ic50,=,9.2,uM,C(c1c(c(no1)O)Br)C(C(=O)O)N,
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZG1,,,,,,,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:B:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,9C0:A:902,valid,Ki,=,0.019,uM,CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3,
,,3IK6,,,,,,,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,HCZ:B:262,invalid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2,
,,,HCZ:B:800,invalid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2,
,,,HCZ:H:800,invalid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2,
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:E:262,Part of Protein,,,,,[Zn+2],
,,,ZN:E:3,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1,Part of Protein,,,,,[Zn+2],
,,,ZN:H:2,Part of Protein,,,,,[Zn+2],
,,2XXI,,,,,,,
,,,GLU:A:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,JAC:A:1302,valid,,,,,c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4,
,,,JAC:B:1302,valid,,,,,c1cc(ccc1CN2CCCC2=O)n3c4c(c(n3)C(F)(F)F)COCC4,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1304,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1303,Part of Protein,,,,,[Zn+2],
,,4O3A,,,,,,,
,,,ASP:A:302,valid,Ki,=,2.57,mM,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:301,valid,Ki,=,2.57,mM,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:301,valid,Ki,=,2.57,mM,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:305,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ACT:C:310,invalid,,,,,CC(=O)[O-],
,,,ACT:C:311,invalid,,,,,CC(=O)[O-],
,,,ACT:C:308,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:C:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:C:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:C:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,PEG:B:311,invalid,,,,,C(COCCO)O,
,,,PEG:B:309,invalid,,,,,C(COCCO)O,
,,,PEG:B:310,invalid,,,,,C(COCCO)O,
,,,PEG:C:314,invalid,,,,,C(COCCO)O,
,,,CL:B:312,invalid,,,,,[Cl-],
,,3B6T,,,,,,,
,,,QUS:A:801,valid,,,,,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GIV,,,,,,,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,BR:A:306,invalid,,,,,[Br-],
,,4FAT,,,,,,,
,,,496:A:302,valid,,,,,c1c(c(nn1CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)(F)F)CO,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,LI:A:310,Part of Protein,,,,,[Li+],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H6U,,,,,,,
,,,FLC:A:274,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:273,invalid,,,,,C(C(CO)O)O,
,,,NS3:A:265,valid,,,,,Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O)N[C@H](N2)C4CCCC4,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NNK,,,,,,,
,,,CE2:A:454,valid,ic50,=,3.5,uM,CC(C)(C)c1c(c(no1)[O-])C[C@@H](C(=O)[O-])[NH3+],
,,,CL:A:453,invalid,,,,,[Cl-],
,,,ZN:A:451,Part of Protein,,,,,[Zn+2],
,,,ZN:A:452,Part of Protein,,,,,[Zn+2],
,,3FAT,,,,,,,
,,,ACY:A:266,invalid,,,,,CC(=O)O,
,,,ACY:B:266,invalid,,,,,CC(=O)O,
,,,ACY:B:267,invalid,,,,,CC(=O)O,
,,,ACY:B:268,invalid,,,,,CC(=O)O,
,,,ACY:C:267,invalid,,,,,CC(=O)O,
,,,ACY:C:268,invalid,,,,,CC(=O)O,
,,,AMQ:A:427,valid,Kd,=,22.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:428,valid,Kd,=,22.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:C:429,valid,Kd,=,22.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,GOL:A:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:262,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:263,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:264,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:263,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:264,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:265,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:266,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T9X,,,,,,,
,,,GLU:B:274,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:274,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:274,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:F:262,Part of Protein,,,,,[Zn+2],
,,1MY2,,,,,,,
,,,AMQ:A:602,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:603,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:C:601,valid,,,,,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:704,Part of Protein,,,,,[Zn+2],
,,,ZN:C:703,Part of Protein,,,,,[Zn+2],
,,,ZN:C:705,Part of Protein,,,,,[Zn+2],
,,3ILT,,,,,,,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,TRU:B:800,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl,
,,,TRU:E:800,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl,
,,,TRU:H:800,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:E:262,Part of Protein,,,,,[Zn+2],
,,,ZN:H:262,Part of Protein,,,,,[Zn+2],
,,,ZN:H:3,Part of Protein,,,,,[Zn+2],
,,3O6I,,,,,,,
,,,O26:A:265,valid,,,,,CC(C)(C)c1c(cn(n1)CC(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)CNC,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DLN,,,,,,,
,,,GLU:A:374,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3RTW,,,,,,,
,,,NWD:B:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,NWD:D:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,NWD:F:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1,Part of Protein,,,,,[Zn+2],
,,,ZN:F:2,Part of Protein,,,,,[Zn+2],
,,1MQD,,,,,,,
,,,GOL:A:3230,invalid,,,,,C(C(CO)O)O,
,,,SHI:A:3001,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SHI:B:3002,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SHI:C:3003,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SHI:D:3004,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3T93,,,,,,,
,,,GLU:B:274,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:274,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:273,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:262,Part of Protein,,,,,[Zn+2],
,,6Q54,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIT:A:313,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,HJ8:B:305,valid,,,,,CCn1c(c(nn1)O)C[C@@H](C(=O)O)N,
,,,HJ8:A:307,valid,,,,,CCn1c(c(nn1)O)C[C@@H](C(=O)O)N,
,,,LI:A:315,Part of Protein,,,,,[Li+],
,,,LI:A:314,Part of Protein,,,,,[Li+],
,,,LI:B:310,Part of Protein,,,,,[Li+],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,PGE:A:309,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:309,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:311,invalid,,,,,C(COCCO)O,
,,6YK6,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LI:A:308,Part of Protein,,,,,[Li+],
,,,OUB:A:311,valid,Ki,=,135,uM,c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,6HCB,,,,,,,
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,D45:B:304,valid,,,,,CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C,
,,,PEG:A:313,invalid,,,,,C(COCCO)O,
,,,PEG:B:309,invalid,,,,,C(COCCO)O,
,,,GLU:A:307,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:305,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4F29,,,,,,,
,,,QUS:A:301,valid,Ki,=,0.168,uM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1MS7,,,,,,,
,,,SHI:A:2001,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SHI:B:2002,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,SHI:C:2003,valid,ic50,=,0.17,uM,c1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,ZN:A:3002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3006,Part of Protein,,,,,[Zn+2],
,,3R7X,,,,,,,
,,,QSN:A:264,valid,ic50,=,0.082,uM,CS(=O)(=O)NN1C(=O)c2cc(c(cc2NC1=O)[N+](=O)[O-])n3ccnc3,
,,3BFT,,,,,,,
,,,CAC:B:1439,invalid,,,,,C[As](=O)(C)[O-],
,,,CL:A:1008,invalid,,,,,[Cl-],
,,,NA:A:1007,Part of Protein,,,,,[Na+],
,,,NA:B:1006,Part of Protein,,,,,[Na+],
,,,S2P:A:1009,valid,Ki,=,323,nM,C(c1c(nsn1)O)[C@@H](C(=O)O)N,
,,,S2P:B:1440,valid,Ki,=,323,nM,C(c1c(nsn1)O)[C@@H](C(=O)O)N,
,,,S2P:C:264,valid,Ki,=,323,nM,C(c1c(nsn1)O)[C@@H](C(=O)O)N,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1005,Part of Protein,,,,,[Zn+2],
,,6FQH,,,,,,,
,,,E2Q:B:301,valid,,,,,c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-],
,,,E2Q:A:301,valid,,,,,c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-],
,,5JEI,,,,,,,
,,,PEG:A:313,invalid,,,,,C(COCCO)O,
,,,PEG:A:311,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ETE:A:310,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:309,invalid,,,,,COCCOCCOCCOCCO,
,,,NA:A:314,invalid,,,,,[Na+],
,,,FWD:A:301,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F,
,,,TOE:A:306,invalid,,,,,COCCOCCOCCO,
,,,PG0:A:308,invalid,,,,,COCCOCCO,
,,3O28,,,,,,,
,,,DMS:A:269,invalid,,,,,CS(=O)C,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:274,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,O28:A:264,valid,,,,,C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)N)C(F)(F)F)C1,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4IY6,,,,,,,
,,,GLU:A:304,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MQS:A:303,valid,,,,,C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3,
,,,MQS:A:302,valid,,,,,C[C@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3,
,,,MQR:A:301,valid,,,,,C[C@@H]1CCCN(C1)C(=O)c2ccc3c(c2)nccn3,
,,3LSL,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:399,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PZI:A:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:A:801,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:A:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:D:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:D:801,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:D:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:G:800,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:G:801,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,PZI:G:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:400,Part of Protein,,,,,[Zn+2],
,,,ZN:G:401,Part of Protein,,,,,[Zn+2],
,,2XX7,,,,,,,
,,,1ND:A:310,valid,,,,,c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4,
,,,1ND:B:310,valid,,,,,c1cc(ccc1C(=O)N2CCCC2)n3c4c(c(n3)C(F)(F)F)CCCC4,
,,,GLU:A:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:1263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1264,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1265,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1266,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1264,Part of Protein,,,,,[Zn+2],
,,1FTM,,,,,,,
,,,AMQ:A:428,valid,Kd,=,24.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:B:429,valid,Kd,=,24.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,AMQ:C:427,valid,Kd,=,24.8,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,ZN:A:422,Part of Protein,,,,,[Zn+2],
,,,ZN:B:423,Part of Protein,,,,,[Zn+2],
,,,ZN:B:425,Part of Protein,,,,,[Zn+2],
,,,ZN:C:424,Part of Protein,,,,,[Zn+2],
,,,ZN:C:426,Part of Protein,,,,,[Zn+2],
,,2GFE,,,,,,,
,,,GLU:A:997,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:999,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:998,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:869,Part of Protein,,,,,[Zn+2],
,,,ZN:B:870,Part of Protein,,,,,[Zn+2],
,,,ZN:B:872,Part of Protein,,,,,[Zn+2],
,,,ZN:C:871,Part of Protein,,,,,[Zn+2],
,,,ZN:C:873,Part of Protein,,,,,[Zn+2],
,,4F31,,,,,,,
,,,KAI:B:301,valid,Ki,=,2.08,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:D:301,valid,Ki,=,2.08,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:303,Part of Protein,,,,,[Zn+2],
,,5ZG2,,,,,,,
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,ZK1:A:901,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:B:901,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ACT:B:905,invalid,,,,,CC(=O)[O-],
,,,ACT:B:907,invalid,,,,,CC(=O)[O-],
,,,ACT:B:906,invalid,,,,,CC(=O)[O-],
,,,9C0:A:902,valid,,,,,CC(C)(C)c1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3,
,,3T9U,,,,,,,
,,,CNI:A:400,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:B:400,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:C:400,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:262,Part of Protein,,,,,[Zn+2],
,,3T96,,,,,,,
,,,IWD:B:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,IWD:D:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,IWD:F:601,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:262,Part of Protein,,,,,[Zn+2],
,,3KFM,,,,,,,
,,,KAI:A:258,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,6YK5,,,,,,,
,,,LI:A:311,Part of Protein,,,,,[Li+],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,PVK:A:312,valid,Ki,=,4.73,uM,C1C2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,2I3V,,,,,,,
,,,GLU:A:401,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:402,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:403,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:404,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:C:306,Part of Protein,,,,,[Zn+2],
,,,ZN:D:307,Part of Protein,,,,,[Zn+2],
,,3T9H,,,,,,,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:D:402,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:F:403,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:D:3,Part of Protein,,,,,[Zn+2],
,,,ZN:F:262,Part of Protein,,,,,[Zn+2],
,,3PMW,,,,,,,
,,,DMS:A:311,invalid,,,,,CS(=O)C,
,,,G69:A:312,valid,,,,,CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cn3cc(c(n3)C(F)(F)F)CO,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H6V,,,,,,,
,,,DMS:B:266,invalid,,,,,CS(=O)C,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:267,invalid,,,,,C(C(CO)O)O,
,,,NS6:A:265,valid,,,,,CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4,
,,,NS6:B:265,valid,,,,,CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C@H](C3)C4CCCC4,
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LBB,,,,,,,
,,,KAI:A:999,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,5BUU,,,,,,,
,,,GLU:B:802,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:802,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,4V6:B:801,valid,,,,,C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C,
,,,4V6:A:801,valid,,,,,C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C,
,,3H03,,,,,,,
,,,UBP:A:801,valid,ic50,=,135,uM,C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N,
,,,UBP:B:802,valid,ic50,=,135,uM,C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N,
,,,UBP:D:803,valid,ic50,=,135,uM,C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N,
,,,UBP:G:804,valid,ic50,=,135,uM,C1=CN(C(=O)N(C1=O)CCC(=O)O)C[C@@H](C(=O)O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:262,Part of Protein,,,,,[Zn+2],
,,,ZN:G:262,Part of Protein,,,,,[Zn+2],
,,,ZN:G:263,Part of Protein,,,,,[Zn+2],
,,6FQK,,,,,,,
,,,ZK1:B:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,,ZK1:A:301,valid,,,,,c1c(c(cc2c1NC(=O)C(=O)N2CP(=O)(O)O)N3CCOCC3)C(F)(F)F,
,,1LB9,,,,,,,
,,,DNQ:A:368,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-],
,,,DNQ:B:367,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-],
,,,SO4:B:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N0T,,,,,,,
,,,ACT:D:265,invalid,,,,,CC(=O)[O-],
,,,AT1:A:264,valid,ic50,=,12.2,uM,CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N,
,,,AT1:B:265,valid,ic50,=,12.2,uM,CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N,
,,,AT1:C:266,valid,ic50,=,12.2,uM,CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N,
,,,AT1:D:266,valid,ic50,=,12.2,uM,CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N,
,,,SO4:B:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZG0,,,,,,,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:903,Part of Protein,,,,,[Zn+2],
,,,ZN:F:903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:F:904,Part of Protein,,,,,[Zn+2],
,,,ZN:D:902,Part of Protein,,,,,[Zn+2],
,,,ZN:D:904,invalid,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ACT:D:905,invalid,,,,,CC(=O)[O-],
,,,ACT:D:907,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1004,invalid,,,,,CC(=O)[O-],
,,,ACT:F:906,invalid,,,,,CC(=O)[O-],
,,,ACT:F:905,invalid,,,,,CC(=O)[O-],
,,,ACT:D:906,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1005,invalid,,,,,CC(=O)[O-],
,,,GLU:E:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:1002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:901,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,9C3:E:1001,valid,Ki,=,0.082,uM,CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3,
,,,9C3:B:1001,valid,Ki,=,0.082,uM,CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3,
,,,9C3:C:1001,valid,Ki,=,0.082,uM,CC(C)Oc1ccc(cc1)C2=CC=CN3C2=NS(=O)(=O)CC3,
,,3T9V,,,,,,,
,,,CNI:A:400,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:B:400,valid,,,,,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,1GR2,,,,,,,
,,,KAI:A:999,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,5OEW,,,,,,,
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:906,Part of Protein,,,,,[Zn+2],
,,,ZN:B:908,invalid,,,,,[Zn+2],
,,,ZN:B:905,Part of Protein,,,,,[Zn+2],
,,,ZN:B:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:904,Part of Protein,,,,,[Zn+2],
,,,ZN:C:310,invalid,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,ZN:C:306,Part of Protein,,,,,[Zn+2],
,,,ZN:C:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,invalid,,,,,[Zn+2],
,,,ZN:B:907,Part of Protein,,,,,[Zn+2],
,,,ZN:C:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:307,invalid,,,,,[Zn+2],
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:902,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,9TE:C:301,valid,,,,,COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4,
,,,9TE:B:901,valid,,,,,COc1cccc(c1)Oc2ccc3c(c2)S(=O)(=O)NCN3C4CC4,
,,,ACT:C:312,invalid,,,,,CC(=O)[O-],
,,,ACT:B:909,invalid,,,,,CC(=O)[O-],
,,,ACT:C:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,3IL1,,,,,,,
,,,B5D:B:262,valid,,,,,C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,B5D:B:801,valid,,,,,C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,B5D:H:801,valid,,,,,C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:B:263,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1,Part of Protein,,,,,[Zn+2],
,,,ZN:E:262,Part of Protein,,,,,[Zn+2],
,,,ZN:H:2,Part of Protein,,,,,[Zn+2],
,,,ZN:H:3,Part of Protein,,,,,[Zn+2],
,,3DP6,,,,,,,
,,,GLU:A:374,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:374,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:374,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,4O3C,,,,,,,
,,,ASP:A:301,valid,Ki,=,2.57,mM,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,LI:A:305,Part of Protein,,,,,[Li+],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,3RTF,,,,,,,
,,,CWD:B:800,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl,
,,,CWD:D:800,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl,
,,,CWD:F:800,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1,Part of Protein,,,,,[Zn+2],
,,6FAZ,,,,,,,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GLU:B:311,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:312,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,ACT:B:310,invalid,,,,,CC(=O)[O-],
,,,ACT:B:309,invalid,,,,,CC(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,D45:B:301,valid,,,,,CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,1MM6,,,,,,,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,QUS:A:500,valid,ic50,=,20,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:B:501,valid,ic50,=,20,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4F3G,,,,,,,
,,,KAI:A:301,valid,Ki,=,3.44,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4IY5,,,,,,,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:B:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CX5:B:301,valid,,,,,c1cc2c(cc1C(=O)N3CCCCC3)nccn2,
,,4F39,,,,,,,
,,,KAI:A:301,valid,Ki,=,3.44,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,5FHO,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,CL:D:307,invalid,,,,,[Cl-],
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:D:306,invalid,,,,,[Cl-],
,,,CL:C:306,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:D:305,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5XN:C:301,valid,,,,,c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+],
,,,5XN:B:301,valid,,,,,c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+],
,,,5XN:A:301,valid,,,,,c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+],
,,,5XN:D:301,valid,,,,,c1cc(cc(c1)Cl)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)[NH3+],
,,,PG4:B:308,invalid,,,,,C(COCCOCCOCCO)O,
,,6HCH,,,,,,,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,ACT:A:316,invalid,,,,,CC(=O)[O-],
,,,ACT:C:312,invalid,,,,,CC(=O)[O-],
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,ACT:C:313,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:C:311,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,ZN:C:306,invalid,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:308,invalid,,,,,[Zn+2],
,,,ZN:A:303,invalid,,,,,[Zn+2],
,,,ZN:C:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:315,Part of Protein,,,,,[Zn+2],
,,,ZN:C:309,invalid,,,,,[Zn+2],
,,,ZN:C:305,invalid,,,,,[Zn+2],
,,,ZN:B:306,invalid,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,invalid,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:C:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:305,invalid,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,invalid,,,,,[Zn+2],
,,,CL:C:316,invalid,,,,,[Cl-],
,,,CL:C:315,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:317,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,D45:C:310,valid,,,,,CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C,
,,,D45:A:311,valid,,,,,CN1CNS(=O)(=O)c2c1cc(cc2)CCc3ccc4c(c3)N(CNS4(=O)=O)C,
,,2P2A,,,,,,,
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MP9:B:802,valid,Ki,=,0.75,uM,c1ccc(cc1)Cn2nc(nn2)c3c(c(no3)O)C[C@@H](C(=O)O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TZA,,,,,,,
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TZG:A:261,valid,Ki,=,3.15,uM,c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O,
,,,TZG:B:261,valid,Ki,=,3.15,uM,c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O,
,,5NIH,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,8VE:A:304,valid,Ki,=,134,nM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,,8VE:B:303,valid,Ki,=,134,nM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,3O2A,,,,,,,
,,,GOL:A:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,O30:A:264,valid,,,,,C1CCc2c(c(nn2CC(=O)Nc3c(c4c(s3)CCCC4)C(=O)NCCCN)C(F)(F)F)C1,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LZ8,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:C:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:801,Part of Protein,,,,,[Zn+2],
,,,1YX:A:802,valid,,,,,CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C,
,,,1YX:B:805,valid,,,,,CC(C)S(=O)(=O)NC[C@@H]1CC(=NO1)c2ccc(c(c2)F)N3CC[C@@H](C3)NC(=O)C,
,,,GLU:A:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:803,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:804,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1MQJ,,,,,,,
,,,HWD:A:301,valid,ic50,=,4.76,uM,C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,5NG9,,,,,,,
,,,FLC:A:301,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:302,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,8VN:A:304,valid,Ki,=,191,nM,C1[C@H]2[C@@H]([C@H](N1)C(=O)O)C(=NO2)C(=O)O,
,,,LI:A:303,Part of Protein,,,,,[Li+],
,,,8WQ:A:305,valid,,,,,C1[C@@H]([C@@H]([C@H](N1)C(=O)O)C(=O)C(=O)O)O,
,,5NS9,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:A:302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:301,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,PG0:A:303,invalid,,,,,COCCOCCO,
,,,GLU:A:311,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:305,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4F1Y,,,,,,,
,,,CNI:A:401,valid,Kd,=,0.96,uM,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,CNI:C:401,valid,Kd,=,0.96,uM,C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])C#N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,5ELV,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU:B:313,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:313,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,5PX:B:312,valid,Kd,=,0.16,uM,c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3,
,,,5PX:A:312,valid,Kd,=,0.16,uM,c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3,
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:309,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:310,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,PEG:B:310,invalid,,,,,C(COCCO)O,
,,,PEG:B:311,invalid,,,,,C(COCCO)O,
,,6YK4,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,CG8:A:310,valid,Ki,=,7.89,uM,CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,LI:A:309,Part of Protein,,,,,[Li+],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4U1O,,,,,,,
,,,FWF:A:302,valid,,,,,C[C@@H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CNS(=O)(=O)C(C)C,
,,,KAI:A:301,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,1LBC,,,,,,,
,,,CYZ:A:330,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,CYZ:B:329,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,CYZ:C:331,valid,,,,,c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4,
,,,GLU:A:326,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:328,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:327,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:321,Part of Protein,,,,,[Zn+2],
,,,ZN:B:322,Part of Protein,,,,,[Zn+2],
,,,ZN:B:324,Part of Protein,,,,,[Zn+2],
,,,ZN:C:323,Part of Protein,,,,,[Zn+2],
,,,ZN:C:325,Part of Protein,,,,,[Zn+2],
,,3TDJ,,,,,,,
,,,3TJ:B:265,valid,,,,,CCN1CNS(=O)(=O)c2c1ccc(c2)F,
,,,3TJ:B:400,valid,,,,,CCN1CNS(=O)(=O)c2c1ccc(c2)F,
,,,CL:A:266,invalid,,,,,[Cl-],
,,,CL:A:267,invalid,,,,,[Cl-],
,,,CL:A:273,invalid,,,,,[Cl-],
,,,CL:A:274,invalid,,,,,[Cl-],
,,,CL:B:274,invalid,,,,,[Cl-],
,,,GLU:A:401,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:399,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:267,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:272,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FHN,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5XO:A:305,valid,,,,,Cc1cccc(c1)Cn2nc(nn2)C3=C(C(=O)NO3)C[C@@H](C(=O)O)N,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1HE1,,,,,,,
,,,AF3:C:201,valid,,,,,F[Al](F)F,
,,,AF3:D:201,valid,,,,,F[Al](F)F,
,,,GDP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,NI:A:230,Part of Protein,,,,,[Ni+2],
,,,NI:C:203,Part of Protein,,,,,[Ni+2],
,,,NI:C:204,Part of Protein,,,,,[Ni+2],
,,,NI:D:203,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5LX9,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,OLB:A:407,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:H:302,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:403,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:405,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:411,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:408,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:H:301,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:404,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:410,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:406,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:409,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:412,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLA:A:402,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,4AIF,,,,,,,
,,,SER ARG MET GLU GLU VAL ASP:E:1,valid,Kd,=,18.6,uM,S(CCC(NC(=O)C(NC(=O)C([NH3+])CO)CCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])C)C,
,,,SER ARG MET GLU GLU VAL ASP:D:1,valid,Kd,=,18.6,uM,S(CCC(NC(=O)C(NC(=O)C([NH3+])CO)CCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])C)C,
,,,SO4:A:1316,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3RY9,,,,,,,
,,,1CA:A:249,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:B:250,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,GOL:A:248,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:249,invalid,,,,,C(C(CO)O)O,
,,,NA:B:248,invalid,,,,,[Na+],
,Family. Representative Entry is ,3V49,,,,,,,
,,,PK0:A:950,valid,ic50,=,9.6,nM,C[C@]1(C(=O)N(C(=O)N1C)c2ccc(c(c2)C(F)(F)F)C#N)c3ccc(cc3)O,
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5JJM,,,,,,,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:D:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:D:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:D:1007,invalid,,,,,C(CO)O,
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:D:1003,invalid,,,,,[Cl-],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,FME SER ASP:L:503,invalid,,,,,,
,,,FME SER ASP:F:503,invalid,,,,,,
,,,FME SER ASP:K:503,invalid,,,,,,
,,,FME SER ASP:M:503,invalid,,,,,,
,,,SER LEU GLN PHE LEU LEU ASP THR:I:62,invalid,,,,,,
,,,SER LEU GLN PHE LEU LEU ASP THR:J:62,invalid,,,,,,
,,,SER LEU GLN PHE LEU LEU ASP THR:H:62,invalid,,,,,,
,,,SER LEU GLN PHE LEU LEU ASP THR:G:62,invalid,,,,,,
,,,SO4:D:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,DHT:B:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,DHT:D:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,DHT:A:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,DHT:C:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,PGE:C:1005,invalid,,,,,C(COCCOCCO)O,
,,,ACT:D:1006,invalid,,,,,CC(=O)[O-],
,,1T7M,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T65,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1T5Z,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,2Q7K,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:304,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,4OKT,,,,,,,
,,,198:A:1001,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,3V4A,,,,,,,
,,,PK1:A:950,valid,,,,,C[C@]1(C(=O)N(C(=S)N1C)c2ccc(c(c2)Cl)Cl)c3ccc(cc3)O,
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T7F,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1T74,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OH5,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HFT:A:1001,valid,,,,,CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O,
,,4OKW,,,,,,,
,,,198:A:1001,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,2Q7L,,,,,,,
,,,GOL:A:154,invalid,,,,,C(C(CO)O)O,
,,,TES:A:155,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,4OK1,,,,,,,
,,,198:A:1001,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,4OEZ,,,,,,,
,,,DHT:A:1002,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L3X,,,,,,,
,,,DHT:A:1,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1T73,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q7I,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:205,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,4OEY,,,,,,,
,,,DHT:A:1002,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1T7R,,,,,,,
,,,DHT:A:300,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,2Q7J,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:203,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,2AO6,,,,,,,
,,,R18:A:1001,valid,,,,,C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O,
,,4OFR,,,,,,,
,,,DHT:A:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,3L3Z,,,,,,,
,,,DHT:A:1,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,4OFU,,,,,,,
,,,DHT:A:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1T63,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1XOW,,,,,,,
,,,R18:A:1001,valid,,,,,C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O,
,,1T76,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OKX,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,198:A:1002,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,4OHA,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HFT:A:1001,valid,,,,,CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O,
,,1T79,,,,,,,
,,,DHT:A:200,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,Family. Representative Entry is ,4E2J,,,,,,,
,,,FMT:B:302,invalid,,,,,C(=O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,MOF:A:302,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C,
,,,MOF:B:301,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C,
,Family. Representative Entry is ,6G2R,,,,,,,
,,,EJK:B:301,valid,Kd,=,0.35,nM,c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJK:A:301,valid,Kd,=,0.35,nM,c1cc(c(cc1c2c(c(c(c(c2F)F)C#N)F)F)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:A:303,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4AVI,,,,,,,
,,,NI:A:1160,Part of Protein,,,,,[Ni+2],
,,,NI:B:1159,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XNS:A:201,valid,Kd,=,23.6,nM,COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,XNS:B:201,valid,Kd,=,23.6,nM,COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4ATT,,,,,,,
,,,HNV:A:201,valid,Kd,=,104.6,nM,COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,3ZL1,,,,,,,
,,,BWG:B:1159,valid,,,,,CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,BWG:A:1159,valid,,,,,CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,CL:B:1160,invalid,,,,,[Cl-],
,,4BUQ,,,,,,,
,,,KGM:A:201,valid,Kd,=,7.3,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,KGM:B:201,valid,Kd,=,7.3,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5ABZ,,,,,,,
,,,NI:B:1159,Part of Protein,,,,,[Ni+2],
,,,NI:A:1159,Part of Protein,,,,,[Ni+2],
,,,Z47:A:201,valid,,,,,c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,Z47:B:201,valid,,,,,c1ccc2c(c1)cccc2CCC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,4AV4,,,,,,,
,,,FVQ:A:201,valid,Kd,=,94.3,nM,c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,5AAP,,,,,,,
,,,GOL:A:1161,invalid,,,,,C(C(CO)O)O,
,,,VNY:A:201,valid,,,,,C/C(=C[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/c2ccc(cc2)c3ccccc3,
,,,EDO:A:1160,invalid,,,,,C(CO)O,
,,1UWF,,,,,,,
,,,DEG:A:1159,valid,Kd,=,0.15,uM,CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:1160,invalid,,,,,C(C(CO)O)O,
,,4AVK,,,,,,,
,,,FVQ:A:201,valid,Kd,=,94.3,nM,c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,FVQ:B:201,valid,Kd,=,94.3,nM,c1cc(cnc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,NI:A:1159,Part of Protein,,,,,[Ni+2],
,,,NI:B:1162,Part of Protein,,,,,[Ni+2],
,,,SO4:B:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AV0,,,,,,,
,,,HNV:A:201,valid,Kd,=,104.6,nM,COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,HNV:B:201,valid,Kd,=,104.6,nM,COc1ccc(cc1)C#CCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,NI:A:1159,Part of Protein,,,,,[Ni+2],
,,,NI:B:1159,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CSS,,,,,,,
,,,GOL:A:1160,invalid,,,,,C(C(CO)O)O,
,,,CWX:A:1159,valid,Kd,=,3.5,nM,CNS(=O)(=O)c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,4LOV,,,,,,,
,,,KGM:A:201,valid,Kd,=,17.1,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,invalid,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,4AUY,,,,,,,
,,,HNW:A:201,valid,Kd,=,18.3,nM,c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,HNW:B:201,valid,Kd,=,18.3,nM,c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,,NI:A:1159,Part of Protein,,,,,[Ni+2],
,,,NI:B:159,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FS5,,,,,,,
,,,NA:A:1160,invalid,,,,,[Na+],
,,,KGM:A:1159,valid,Kd,=,206.4,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5FWR,,,,,,,
,,,3X8:C:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:G:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:A:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:F:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:H:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:B:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:E:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:D:182,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,6GTW,,,,,,,
,,,MAN MAN MAN:F:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,6GTX,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MMA MAN:E:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:F:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4X5P,,,,,,,
,,,3XJ:A:301,valid,Kd,=,6.2,nM,c1cc(ccc1C(=O)Nc2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O,
,,4AVH,,,,,,,
,,,FK9:A:201,valid,Kd,=,59.5,nM,CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,FK9:B:201,valid,Kd,=,59.5,nM,CCCSCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4XO8,,,,,,,
,,,KGM:B:501,valid,Kd,=,1.1,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,KGM:A:501,valid,Kd,=,1.1,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4X5R,,,,,,,
,,,3XO:A:301,valid,Kd,=,14,nM,CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,3XO:B:301,valid,Kd,=,14,nM,CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,3XO:C:301,valid,Kd,=,14,nM,CN1CCN(CC1)C2=C(C(=O)C2=O)Nc3ccc(c(c3)Cl)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7AYN,,,,,,,
,,,SBQ:D:301,valid,,,,,COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,SBQ:A:301,valid,,,,,COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,SBQ:B:301,valid,,,,,COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,SBQ:C:301,valid,,,,,COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,6GTY,,,,,,,
,,,MMA MAN:G:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:I:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:F:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:J:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,Kd,=,0.000000064,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5AAL,,,,,,,
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,SO4:B:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8L8:A:201,valid,,,,,c1ccc(cc1)c2ccc(cc2)/C=CC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,8L8:B:201,valid,,,,,c1ccc(cc1)c2ccc(cc2)/C=CC[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,4AV5,,,,,,,
,,,FYZ:A:201,valid,Kd,=,61,nM,c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,FYZ:B:201,valid,Kd,=,61,nM,c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,FYZ:C:201,valid,Kd,=,61,nM,c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,FYZ:D:201,valid,Kd,=,61,nM,c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VCO,,,,,,,
,,,NI:A:1159,Part of Protein,,,,,[Ni+2],
,,,NI:B:1159,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG MAN MAN MAN:D:1,valid,Kd,=,20,nM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN:C:1,valid,Kd,=,20,nM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,4X5Q,,,,,,,
,,,3XN:A:301,valid,,,,,c1cc(ccc1n2ccc3c2ccc(c3)[N+](=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O,
,,6G2S,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EJN:B:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:D:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:H:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:C:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:F:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:I:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:A:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:G:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,EJN:E:301,valid,Kd,=,4.01,nM,c1cc(ccc1c2c(c(c(c(c2F)F)F)F)F)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,5F2F,,,,,,,
,,,5U7:A:201,valid,,,,,Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,4CST,,,,,,,
,,,CWK:A:1160,valid,Kd,=,1.3,nM,c1cc(ccc1C#N)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,3ZL2,,,,,,,
,,,BWG:A:1159,valid,,,,,CC(=O)c1cnc(s1)N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1TR7,,,,,,,
,,,CAC:A:1200,invalid,,,,,C[As](=O)(C)[O-],
,,,DEG:A:501,valid,Kd,=,0.15,uM,CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DEG:B:502,valid,Kd,=,0.15,uM,CCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MPD:A:2692,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4AVJ,,,,,,,
,,,J73:A:201,valid,Kd,=,36.5,nM,c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,J73:B:201,valid,Kd,=,36.5,nM,c1cc(ccc1CCn2cc(nn2)CO)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:B:301,Part of Protein,,,,,[Ni+2],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AUJ,,,,,,,
,,,HNW:A:201,valid,Kd,=,18.3,nM,c1cc(ccc1C#CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,4X50,,,,,,,
,,,3X8:B:301,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,,3X8:A:301,valid,Kd,=,17.7,nM,c1ccc(cc1)c2ccc(cc2)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O,
,,4XOC,,,,,,,
,,,KGM:B:501,valid,Kd,=,3,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,KGM:A:501,valid,Kd,=,3,nM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3VRV,,,,,,,
,,,YSD:A:501,valid,ic50,=,0.029,nM,CCC(CC)(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C)O,
,,2ZMI,,,,,,,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,FMT:A:425,invalid,,,,,C(=O)O,
,,,TT2:A:1,valid,ic50,=,3,nM,C[C@@H](C=CC[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C6C[C@H](C(=C)[C@@H](C6)O)O)C,
,,3VT6,,,,,,,
,,,5YI:A:500,valid,,,,,CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O,
,,3W0I,,,,,,,
,,,O11:A:501,valid,,,,,CCC(CC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O,
,,3VT9,,,,,,,
,,,YI4:A:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H](/C2=CC=C3C[C@H](C(=CCO)[C@@H](C3)O)O)CC=C)C,
,,6JEZ,,,,,,,
,,,EJO:A:502,invalid,,,,,CCN(CC)c1ccc2c(c1)OC(=O)C=C2,
,,,YSV:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3VT5,,,,,,,
,,,YI2:A:500,valid,,,,,CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O,
,,2ZLA,,,,,,,
,,,VDB:A:500,valid,,,,,CCC(CC)(CS[C@H](C)C1=CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O,
,,2ZLC,,,,,,,
,,,VDX:A:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,3VT7,,,,,,,
,,,VDX:A:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,2ZFX,,,,,,,
,,,YR3:A:1,valid,,,,,CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O,
,,3VJT,,,,,,,
,,,10R:A:501,valid,ic50,=,4.1,uM,[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@@H](CCO)O)CCCCC(CC)(CC)O,
,,3WT5,,,,,,,
,,,YA1:A:501,valid,ic50,=,0.29,nM,CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,5XPM,,,,,,,
,,,8C0:A:501,valid,ic50,=,23,nM,CCCC[C@@H](CC[C@@H](c1ccc(cc1)O)OC)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C4C[C@H](C(=C)[C@@H](C4)O)O)C,
,,4YNK,,,,,,,
,,,YW2:A:500,valid,,,,,C[C@]12CCC/C(=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2C#CC#C[C@H](C45CC6CC(C4)CC(C6)C5)O,
,,5B41,,,,,,,
,,,YSV:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3W0H,,,,,,,
,,,W12:A:501,valid,,,,,CCCC(CCC)(c1ccc(cc1)OC[C@H](CO)O)c2ccc(cc2)OC[C@@H](C(C)(C)C)O,
,,6K5O,,,,,,,
,,,D0O:A:501,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C,
,,3W0G,,,,,,,
,,,W07:A:501,valid,,,,,CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O,
,,3VTB,,,,,,,
,,,TKA:A:500,valid,ic50,=,0.5,nM,C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C6C[C@H](C(=C)[C@@H](C6)O)O)C,
,,5XZF,,,,,,,
,,,8J0:A:501,valid,ic50,=,0.24,nM,C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C/6C[C@H](C[C@@H](C6=C)O)O)C,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,5B5B,,,,,,,
,,,AKX:A:501,valid,ic50,=,0.43,nM,C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]4[C@@]3(CCC/C4=CC=C5C[C@H](C(=C)[C@@H](C5)O)O)C,
,,,AKX:D:501,valid,ic50,=,0.43,nM,C[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]4[C@@]3(CCC/C4=CC=C5C[C@H](C(=C)[C@@H](C5)O)O)C,
,,5XPO,,,,,,,
,,,8BL:A:501,valid,ic50,=,84,nM,C[C@H](CCCC(=O)c1ccc(cc1)O)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C4C[C@H](C(=C)[C@@H](C4)O)O)C,
,,5ZWI,,,,,,,
,,,9KX:A:501,valid,ic50,=,2.3,nM,C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3VT8,,,,,,,
,,,YI3:A:500,valid,,,,,CCCC[C@@H]1CC[C@]2([C@H](/C1=C/C=C3C[C@H](C[C@@H](C3)O)O)CC[C@@H]2[C@H](C)CCCC(C)(C)O)C,
,,3W0J,,,,,,,
,,,T08:A:501,valid,,,,,Cc1cc(ccc1OC[C@H](CO)O)C(C)(C)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O,
,,3VT4,,,,,,,
,,,5YI:A:500,valid,,,,,CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O,
,,3VJS,,,,,,,
,,,10S:A:501,valid,ic50,=,0.64,uM,[BH]1234[BH]567[BH]189[BH]212[BH]33%10C454([BH]656[BH]433[BH]%1011[BH]353[BH]768C9213CCOC[C@H](CCO)O)CCCCC(CC)(CC)O,
,,3W5T,,,,,,,
,,,LHP:A:500,valid,,,,,CCC(=O)O[C@@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)C,
,,3VRU,,,,,,,
,,,YS3:A:501,valid,ic50,=,0.1,nM,C[C@H](CCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3AUN,,,,,,,
,,,YR4:A:1,valid,,,,,CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO,
,,2ZMH,,,,,,,
,,,NYA:A:1,valid,,,,,C[C@H](C=C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C6C[C@H](C(=C)[C@@H](C6)O)O)C,
,,5AWJ,,,,,,,
,,,YSL:A:501,valid,ic50,=,0.21,nM,CCCCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3W5R,,,,,,,
,,,LOA:A:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C,
,,2ZL9,,,,,,,
,,,VDA:A:500,valid,,,,,CCC(CC)(CS[C@@H](C)C1=CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O,
,,5XZH,,,,,,,
,,,8J3:A:501,valid,ic50,=,3.13,nM,C[C@H](CC#C[C@@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C/6C[C@H](C[C@@H](C6=C)O)O)C,
,,3VRW,,,,,,,
,,,YS5:A:501,valid,ic50,=,0.41,nM,CCCC[C@@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3VT3,,,,,,,
,,,VDX:A:500,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,3VRT,,,,,,,
,,,YS2:A:501,valid,ic50,=,2.7,nM,C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3VTC,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,TK3:A:500,valid,ic50,=,13,nM,C[C@H](CC#C[C@@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C6C[C@H](C(=C)[C@@H](C6)O)O)C,
,,3AFR,,,,,,,
,,,ICJ:A:1,valid,,,,,CCCC[C@@H](C[C@H](C(C)C)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,3WT6,,,,,,,
,,,YA1:A:501,valid,ic50,=,0.29,nM,CCCC[C@H](CCC(C)(C)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,5XPN,,,,,,,
,,,9RO:A:502,valid,ic50,=,102,nM,C[C@H](CCC[C@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C4C[C@H](C(=C)[C@@H](C4)O)O)C,
,,,8BO:A:501,valid,ic50,=,102,nM,C[C@H](CCC[C@@H](c1ccc(cc1)O)OC)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C4C[C@H](C(=C)[C@@H](C4)O)O)C,
,,5ZWH,,,,,,,
,,,9KX:A:501,invalid,,,,,C/C=C/C=C/C(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,,9N9:A:502,valid,ic50,=,1.9,nM,C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,2ZXN,,,,,,,
,,,JC1:A:1,valid,,,,,CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,3A2H,,,,,,,
,,,TEJ:A:1,valid,,,,,C[C@@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C/4C[C@H](C[C@@H](C4=C)O)O)C,
,,3W5P,,,,,,,
,,,4OA:A:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,
,,3WT7,,,,,,,
,,,YA2:A:501,valid,ic50,=,1.79,nM,CCCC[C@H](CC(CC)(CC)O)[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,3W5Q,,,,,,,
,,,3KL:A:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,
,,2ZMJ,,,,,,,
,,,MI4:A:1,valid,ic50,=,30,nM,C[C@@H](C=CC[C@H](CC12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]5[C@@]4(CCC/C5=CC=C6C[C@H](C(=C)[C@@H](C6)O)O)C,
,Family. Representative Entry is ,1CM0,,,,,,,
,,,COA:A:701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2PR5,,,,,,,
,,,ACY:A:601,invalid,,,,,CC(=O)O,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:701,invalid,,,,,[Na+],
,Family. Representative Entry is ,1I7A,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PHE:A:403,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:402,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:401,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE ALA PHE:E:201,invalid,,,,,,
,Family. Representative Entry is ,1YUK,,,,,,,
,,,NDG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:463,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,5DEX,,,,,,,
,,,5E0:B:301,valid,Ki,=,22.6,nM,c1ccc(cc1)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5VII,,,,,,,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,5DY:B:301,valid,Ki,=,51.8,nM,c1cc(ccc1CCCF)n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,TRS:B:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6USU,,,,,,,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,QGM:A:301,valid,,,,,c1ccc(cc1)NC(=O)N[C@H]2C[C@@H](Nc3c2c(cc(c3)Cl)Cl)C(=O)O,
,,5H8F,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GLY:B:306,valid,,,,,C(C(=O)O)N,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,2A5T,,,,,,,
,,,GLU:B:2002,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5VIJ,,,,,,,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,5DX:B:301,valid,Ki,=,24.3,nM,c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)Br,
,,6UZW,,,,,,,
,,,QM4:B:301,valid,,,,,c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,6UZG,,,,,,,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,QM1:B:301,valid,,,,,c1cc(c(nc1)C(=O)O)CC(=O)O,
,,6UZX,,,,,,,
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GLY:A:1202,valid,,,,,C(C(=O)O)N,
,,,QM4:B:1102,valid,,,,,c1cc2c(ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O)cc1CCC(=O)O,
,,5I57,,,,,,,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5H8Q,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,5YE:B:302,valid,,,,,CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F,
,,,GLY:B:301,valid,,,,,C(C(=O)O)N,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5U8C,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,84J:B:301,valid,Ki,=,29.58,nM,C[C@@H](c1ccc(cc1)Br)N[C@@H](c2cccc3c2nc(c(n3)O)O)P(=O)(O)O,
,,,GLY:A:901,valid,,,,,C(C(=O)O)N,
,,6UZR,,,,,,,
,,,GLY:A:901,valid,,,,,C(C(=O)O)N,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,QM1:B:301,valid,,,,,c1cc(c(nc1)C(=O)O)CC(=O)O,
,,5KCJ,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GLY:B:301,valid,,,,,C(C(=O)O)N,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,6RM:B:302,valid,,,,,CC1=C(N2C(=O)C=C(N=C2S1)COc3ccc(cc3)F)[C@@H]4C[C@H]4CO,
,,5H8N,,,,,,,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,5YD:A:302,valid,,,,,c1cc(cnc1)CNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(cc3)F,
,,,CA:B:301,invalid,,,,,[Ca+2],
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5TPA,,,,,,,
,,,7H2:A:302,valid,,,,,CC1=C(N2C(=NC(=CC2=O)Cn3c(cc(n3)C(F)(F)F)Cl)C=C1)[C@@H]4C[C@H]4C#N,
,,,GLY:B:301,valid,,,,,C(C(=O)O)N,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4NF8,,,,,,,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5KDT,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY:B:301,valid,,,,,C(C(=O)O)N,
,,,6RV:A:303,valid,,,,,c1c(nn(c1Cl)CC2=CC(=O)N3C(=C(SC3=N2)C(F)(F)F)[C@@H]4C[C@H]4C#N)C(F)(F)F,
,,4NF4,,,,,,,
,,,2JK:A:301,valid,,,,,Cc1cc(c2c(c1)nc(cc2O)C(=O)O)C,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4NF5,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,2JJ:B:301,valid,,,,,C(C[C@H](C(=O)O)N)CP(=O)(O)O,
,,,GLY:A:901,valid,,,,,C(C(=O)O)N,
,,6USV,,,,,,,
,,,GLY:A:901,valid,,,,,C(C(=O)O)N,
,,,QGP:B:301,valid,,,,,c1cc(c(cc1Cl)Cl)c2cc(c(c(c2)CP(=O)(O)O)O)C[C@@H](C(=O)O)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,5TP9,,,,,,,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,CA:B:301,invalid,,,,,[Ca+2],
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,7H0:A:303,valid,,,,,CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cn3c(cc(n3)C(F)(F)F)Cl)C,
,,6UZ6,,,,,,,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5VIH,,,,,,,
,,,5DZ:B:301,valid,Ki,=,32.2,nM,c1cc(ccc1n2c(cc(n2)C(=O)O)C[C@H](C(=O)O)N)F,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5H8H,,,,,,,
,,,5YC:B:303,valid,,,,,CCN(CC1=CC(=O)N2C(=N1)SC(=N2)C)c3ccccc3,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,CA:B:301,invalid,,,,,[Ca+2],
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5I59,,,,,,,
,,,67Q:B:302,valid,ic50,=,641,nM,Cc1c(ncc(n1)C(=O)NCC2=SC(=NC2)C)CNS(=O)(=O)c3ccc(c(c3)F)F,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,4NF6,,,,,,,
,,,2JL:B:301,valid,Ki,=,0.82,uM,c1ccc2c(c1)ccc3c2ccc(c3)C(=O)N4CCN[C@H]([C@H]4C(=O)O)C(=O)O,
,,,GLY:A:1001,valid,,,,,C(C(=O)O)N,
,,5I56,,,,,,,
,,,67P:B:802,valid,ic50,=,1530,nM,c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)Cl)F,
,,,GLY:A:501,valid,,,,,C(C(=O)O)N,
,,,GLU:B:801,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5I2N,,,,,,,
,,,67J:A:303,valid,,,,,CCNC(=O)C1=C(SC2=NC(=CC(=O)N12)Cc3cccc(c3F)C(F)(F)F)C,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,CA:A:301,invalid,,,,,[Ca+2],
,,,EPE:B:301,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3FV1,,,,,,,
,,,DYH:A:1,valid,Ki,=,0.5,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,DYH:B:2,valid,Ki,=,0.5,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4QF9,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,35K:A:301,valid,Ki,=,37.1,uM,c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2,
,,,35K:C:301,valid,Ki,=,37.1,uM,c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2,
,,,35K:B:301,valid,Ki,=,37.1,uM,c1cc2c(cc1CC[C@@H](C(=O)O)N)NC(=O)C(=O)N2,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,PG4:B:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,1TXF,,,,,,,
,,,GLU:A:259,valid,Ki,=,57.2,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,3GBB,,,,,,,
,,,MS8:A:258,valid,Ki,=,126,nM,C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1,
,,,MS8:B:258,valid,Ki,=,126,nM,C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1,
,,5MFQ,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,2J9:A:901,valid,,,,,c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3,
,,,2J9:A:902,valid,,,,,c1cc2c(cc1F)S(=O)(=O)NCN2C3CC3,
,,,KAI:B:901,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:A:903,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FVN,,,,,,,
,,,9DX:A:1,valid,Ki,=,169,nM,C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O,
,,,9DX:B:2,valid,Ki,=,169,nM,C1CO[C@@H]2C[C@](O[C@@H]2[C@@H]1O)(C[C@@H](C(=O)O)N)C(=O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3973,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3976,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3969,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3970,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3972,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3974,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YCJ,,,,,,,
,,,GLU:A:998,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:999,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3C35,,,,,,,
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CS:A:301,invalid,,,,,[Cs+],
,,,CS:A:303,invalid,,,,,[Cs+],
,,,CS:A:304,invalid,,,,,[Cs+],
,,,CS:A:305,invalid,,,,,[Cs+],
,,,CS:A:306,invalid,,,,,[Cs+],
,,,CS:A:309,invalid,,,,,[Cs+],
,,,CS:B:302,invalid,,,,,[Cs+],
,,,CS:B:307,invalid,,,,,[Cs+],
,,,CS:B:308,invalid,,,,,[Cs+],
,,,CS:B:310,invalid,,,,,[Cs+],
,,,CS:B:311,invalid,,,,,[Cs+],
,,,CS:B:312,invalid,,,,,[Cs+],
,,,CS:B:313,invalid,,,,,[Cs+],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,5MFW,,,,,,,
,,,ACT:A:908,invalid,,,,,CC(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KAI:B:902,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:A:903,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,7M6:B:901,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,,7M6:A:901,valid,,,,,c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF,
,,3C31,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,LI:A:301,Part of Protein,,,,,[Li+],
,,,LI:B:302,Part of Protein,,,,,[Li+],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3C34,,,,,,,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,RB:A:302,invalid,,,,,[Rb+],
,,,RB:A:303,invalid,,,,,[Rb+],
,,,RB:A:304,invalid,,,,,[Rb+],
,,,RB:A:305,invalid,,,,,[Rb+],
,,,RB:B:301,invalid,,,,,[Rb+],
,,,RB:B:306,invalid,,,,,[Rb+],
,,2F36,,,,,,,
,,,GLU:A:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:502,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:503,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:504,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GBA,,,,,,,
,,,CL:A:261,invalid,,,,,[Cl-],
,,,CL:B:261,invalid,,,,,[Cl-],
,,,DYH:A:258,valid,Ki,=,0.848,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,DYH:B:258,valid,Ki,=,0.848,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,DYH:C:258,valid,Ki,=,0.848,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,DYH:D:258,valid,Ki,=,0.848,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,GOL:A:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:259,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SBT,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L5H:A:303,valid,Ki,=,43,nM,c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)n4ccnc4,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,3FV2,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,,,NDZ:A:791,valid,Ki,=,7.7,nM,C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O,
,,,NDZ:B:791,valid,Ki,=,7.7,nM,C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:792,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QS4,,,,,,,
,,,GOL:B:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:260,invalid,,,,,C(C(CO)O)O,
,,,LY5:A:260,valid,Kd,=,38,nM,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O,
,,,LY5:B:259,valid,Kd,=,38,nM,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O,
,,,LY5:C:259,valid,Kd,=,38,nM,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O,
,,,LY5:D:260,valid,Kd,=,38,nM,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O,
,,,NH4:A:259,invalid,,,,,[NH4+],
,,,NH4:D:259,invalid,,,,,[NH4+],
,,2QS3,,,,,,,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,UBE:A:603,valid,Kd,=,1.4,nM,CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N,
,,,UBE:B:602,valid,Kd,=,1.4,nM,CC1=CN(C(=O)N(C1=O)Cc2cc(sc2C(=O)O)c3ccccc3)C[C@@H](C(=O)O)N,
,,2OJT,,,,,,,
,,,1PE:A:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BR:A:301,invalid,,,,,[Br-],
,,,BR:B:301,invalid,,,,,[Br-],
,,,UBA:A:501,valid,,,,,CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N,
,,,UBA:B:501,valid,,,,,CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N,
,,3C33,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:B:303,Part of Protein,,,,,[K+],
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,2WKY,,,,,,,
,,,CL:A:1258,invalid,,,,,[Cl-],
,,,CL:A:1259,invalid,,,,,[Cl-],
,,,IBC:A:1260,valid,Ki,=,2.57,nM,C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N,
,,,IBC:B:1257,valid,Ki,=,2.57,nM,C1CC=C(c2c(onc2O)C1)C[C@@H](C(=O)O)N,
,,2PBW,,,,,,,
,,,DOQ:A:401,valid,Ki,=,5.56,nM,C[C@H](C=CC=C(C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,
,,,DOQ:B:402,valid,Ki,=,5.56,nM,C[C@H](C=CC=C(C)/[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O)C(=O)O,
,,4YMB,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,4E7:B:301,valid,Ki,=,0.62,uM,CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O,
,,,4E7:A:301,valid,Ki,=,0.62,uM,CCC[C@@H]1CN[C@@H]([C@H]1c2cccc(c2)C(=O)O)C(=O)O,
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,6FZ4,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EC8:A:307,valid,Ki,=,1.12,uM,c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C(F)(F)F)F)O,
,,3FVG,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:808,invalid,,,,,C(C(CO)O)O,
,,,MS8:A:901,valid,Ki,=,128,nM,C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1,
,,,MS8:B:902,valid,Ki,=,128,nM,C1C[C@@H]2[C@@H](C[C@](O2)(C[C@@H](C(=O)O)N)C(=O)O)OC1,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3C36,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,NH4:A:301,invalid,,,,,[NH4+],
,,,NH4:B:302,invalid,,,,,[NH4+],
,,2F34,,,,,,,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,UBA:A:801,valid,Kd,=,0.13,uM,CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N,
,,,UBA:B:802,valid,Kd,=,0.13,uM,CC1=CN(C(=O)N(C1=O)Cc2ccsc2C(=O)O)C[C@@H](C(=O)O)N,
,,3C32,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:401,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,2QS2,,,,,,,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,UBF:A:603,valid,Kd,=,186,nM,c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O,
,,,UBF:B:602,valid,Kd,=,186,nM,c1csc(c1CN2C(=O)C(=CN(C2=O)C[C@@H](C(=O)O)N)Br)C(=O)O,
,,4DLD,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TZG:A:301,valid,Ki,=,1.5,uM,c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O,
,,,TZG:B:301,valid,Ki,=,1.5,uM,c1c(c(cc(c1[N+](=O)[O-])Cl)C[C@@H](C(=O)O)N)CCC(=O)O,
,,3FVK,,,,,,,
,,,8DX:A:1,valid,Ki,=,1.5,nM,C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,8DX:B:2,valid,Ki,=,1.5,nM,C1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3971,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3976,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3969,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3970,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3972,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:791,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZNU,,,,,,,
,,,BME:A:2,invalid,,,,,C(CS)O,
,,,BME:A:3,invalid,,,,,C(CS)O,
,,,BME:A:4,invalid,,,,,C(CS)O,
,,,BME:A:791,invalid,,,,,C(CS)O,
,,,NDZ:A:1,valid,Ki,=,7.7,nM,C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O,
,,3S2V,,,,,,,
,,,3HU:A:258,valid,Ki,=,157,nM,c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O,
,,,3HU:B:258,valid,Ki,=,157,nM,c1csc(c1CN2C(=O)c3cscc3N(C2=O)C[C@@H](C(=O)O)N)C(=O)O,
,,,CL:B:261,invalid,,,,,[Cl-],
,,,GOL:A:260,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:262,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QS1,,,,,,,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,UB1:A:603,valid,Kd,=,33,nM,CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N,
,,,UB1:B:602,valid,Kd,=,33,nM,CC1=CN(C(=O)N(C1=O)Cc2c(c(sc2C(=O)O)Br)Br)C[C@@H](C(=O)O)N,
,,4E0X,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,KAI:A:301,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:301,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MFV,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KAI:B:901,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:A:903,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,5PX:A:901,valid,,,,,c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3,
,,,5PX:A:902,valid,,,,,c1cc2c(cc1O)S(=O)(=O)NCN2C3CC3,
,,,ACT:B:904,invalid,,,,,CC(=O)[O-],
,,2ZNT,,,,,,,
,,,BME:A:2,invalid,,,,,C(CS)O,
,,,BME:A:3,invalid,,,,,C(CS)O,
,,,BME:A:4,invalid,,,,,C(CS)O,
,,,BME:A:5,invalid,,,,,C(CS)O,
,,,BME:A:791,invalid,,,,,C(CS)O,
,,,DYH:A:1,valid,Ki,=,0.5,nM,CN[C@@H]1[C@@H](CO[C@H]2[C@@H]1O[C@@](C2)(C[C@@H](C(=O)O)N)C(=O)O)O,
,,2F35,,,,,,,
,,,1PE:A:602,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:601,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,UBC:A:801,valid,Kd,=,3.94,uM,c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O,
,,,UBC:B:802,valid,Kd,=,3.94,uM,c1ccc(c(c1)CN2C(=O)C=CN(C2=O)C[C@@H](C(=O)O)N)C(=O)O,
,,5NEB,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8VE:B:309,valid,Ki,=,17,nM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,,8VE:A:307,valid,Ki,=,17,nM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,ACT:B:310,invalid,,,,,CC(=O)[O-],
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,1VSO,,,,,,,
,,,AT1:A:258,valid,Ki,=,18980,nM,CC(C)(C)c1c(c(no1)OCP(=O)(O)O)C[C@@H](C(=O)O)N,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6C1R,,,,,,,
,,,MLI:B:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,EFD:B:501,valid,,,,,Cc1cccc(c1C(=O)N2CCC[C@@H]([C@@H]2c3ccc(cc3)NC4CCCC4)C(=O)Nc5ccc(c(c5)C(F)(F)F)C)F,
,,,OLC:B:506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:507,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:B:511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PGE:B:505,invalid,,,,,C(COCCOCCO)O,
,,,ACE PHE ORN PRO ZAL TRP ARG:L:0,valid,,,,,O=C(NC1C(=O)N2C(C(=O)NC(CC3CCCCC3)C(=O)NC(Cc3c4c([nH]c3)cccc4)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NCCC1)CCC2)C(NC(=O)C)Cc1ccccc1,
,,,NA:B:504,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1PWB,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,GLC:B:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3IKR,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MAN:A:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,3IKQ,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MAN:A:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,3IKP,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,IPD:B:405,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:C:405,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,5OXS,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,K5B GMH GMH GLC:D:1,valid,,,,,O=C([O-])C(=O)CC1C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C(CO)O1,
,,,K5B GMH GMH GLC:E:1,valid,,,,,O=C([O-])C(=O)CC1C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C(CO)O1,
,,,K5B GMH GMH GLC:F:1,valid,,,,,O=C([O-])C(=O)CC1C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C(CO)O1,
,,5OXR,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,K5B GMH GMH:D:1,valid,,,,,O=C([O-])C(=O)CC1C(OC2C(O)C(OC3C(O)C(O)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C(CO)O1,
,,,K5B GMH GMH:E:1,valid,,,,,O=C([O-])C(=O)CC1C(OC2C(O)C(OC3C(O)C(O)C(O)C(C(O)CO)O3)C(O)C(C(O)CO)O2)C(O)C(CO)O1,
,,3IKN,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,GAL:A:405,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:405,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:405,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,7BQ2,,,,,,,
,,,P7F:A:501,valid,,,,,CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,2NPA,,,,,,,
,,,MMB:A:1201,valid,,,,,CCCO/N=C(C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O,
,,,MMB:C:2201,valid,,,,,CCCO/N=C(C)/[C@@H](Cc1ccc(cc1)OCc2c(oc(n2)c3ccccc3)C)C(=O)O,
,,7BQ4,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,EPA:A:501,valid,,,,,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,7BPY,,,,,,,
,,,E0O:C:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)Cl,
,,,E0O:A:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)Cl,
,,,E0O:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)Cl,
,,,E0O:C:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)Cl,
,,7BPZ,,,,,,,
,,,PEM:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl,
,,,PEM:C:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl,
,,7BQ1,,,,,,,
,,,PLM:A:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,7BQ0,,,,,,,
,,,F5A:C:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:C:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:A:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,7BQ3,,,,,,,
,,,2VN:A:501,valid,,,,,CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3,
,Family. Representative Entry is ,4P6W,,,,,,,
,,,MOF:A:801,valid,Ki,=,0.7,nM,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C,
,Family. Representative Entry is ,3JZB,,,,,,,
,,,4HY:A:1,valid,ic50,~,0.1,nM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,4LNW,,,,,,,
,,,T3:A:501,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,,T3:A:502,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,2H79,,,,,,,
,,,T3:A:1,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,3ILZ,,,,,,,
,,,B72:A:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,3HZF,,,,,,,
,,,B72:A:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,1NAV,,,,,,,
,,,IH5:A:600,valid,,,,,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Cl)CC(=O)O)Cl,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LNX,,,,,,,
,,,T3:A:502,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,,T44:A:501,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,2H77,,,,,,,
,,,T3:A:1,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,Family. Representative Entry is ,4Q0A,,,,,,,
,,,4OA:C:501,valid,Kd,=,0.33,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,
,,,4OA:C:502,valid,Kd,=,0.33,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,
,,,GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN:D:687,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])Cc1nc[nH]c1)CCCC[NH3+])C(CC)C)CC(C)C)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CC(C)C)CC(C)C)CCC(=O)N,
,Family. Representative Entry is ,5UFS,,,,,,,
,,,1TA:B:301,valid,Ki,=,3.2,nM,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O,
,,,1TA:A:301,valid,Ki,=,3.2,nM,C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O,
,,6W9M,,,,,,,
,,,TUV:A:301,valid,,,,,C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2AX9,,,,,,,
,,,BHM:A:1,valid,Ki,=,0.3,nM,C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O,
,,1XNN,,,,,,,
,,,HYQ:A:101,valid,Ki,=,0.5,nM,c1ccc2c(c1)c(ccc2[N+](=O)[O-])N3C(=O)[C@H]4C5CCC([C@H]4C3=O)CC5,
,,2AMA,,,,,,,
,,,DHT:A:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AMB,,,,,,,
,,,17H:A:1001,valid,,,,,CC[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)CC)O,
,,,DTT:A:1003,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,EPE:A:1004,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OEA,,,,,,,
,,,DHT:A:1001,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,3B67,,,,,,,
,,,B67:A:1,valid,,,,,C[C@](COc1c(c(c(c(c1F)F)F)F)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O,
,,2PIU,,,,,,,
,,,4HY:A:932,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:A:933,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,2YLO,,,,,,,
,,,SO4:A:1921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1920,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,YLO:A:1922,valid,,,,,Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCOc4ccccc4,
,,2PNU,,,,,,,
,,,DTT:A:303,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ENM:A:302,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)CCOCc5cc(cc(c5)F)F,
,,,MES:A:304,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HLW,,,,,,,
,,,TES:A:1001,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,17W:A:1002,valid,,,,,c1ccc(cc1)OCCSc2[nH]c3ccccc3n2,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,2PIQ,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,RB1:A:933,valid,,,,,CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2)N,
,,,SO4:A:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HVC,,,,,,,
,,,LGD:A:2226,valid,,,,,c1cc2c(cc1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F,
,,2OZ7,,,,,,,
,,,CA4:A:1,valid,,,,,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C,
,,3B65,,,,,,,
,,,3B6:A:1,valid,,,,,C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)I)C#N)O,
,,5CJ6,,,,,,,
,,,GLY ALA PHE GLN ASN LEU PHE GLN SER VAL:B:21,invalid,,,,,,
,,,51Y:A:1001,valid,Ki,=,2.03,nM,Cc1c(ccc(c1Cl)C#N)N[C@@H]2CCC[C@@]2(C)O,
,,4QL8,,,,,,,
,,,JAD:A:1001,valid,ic50,=,0.7,nM,Cc1c(ccc(c1Cl)C#N)C2=NN3CC[C@@H]([C@H]3[C@@H]2OC)O,
,,3B5R,,,,,,,
,,,B5R:A:1,valid,,,,,C[C@](COc1ccc(c(c1)F)Cl)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,2AX8,,,,,,,
,,,FHM:A:1,valid,,,,,C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O,
,,2QPY,,,,,,,
,,,4HY:A:1,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,LEU LEU ARG TYR LEU LEU ASP LYS ASP ASP:B:922,invalid,,,,,,
,,1T7T,,,,,,,
,,,DHT:A:300,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1Z95,,,,,,,
,,,198:A:501,valid,Ki,=,76,nM,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RLJ,,,,,,,
,,,RLJ:A:1,valid,,,,,C[C@](COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,2AX7,,,,,,,
,,,FHM:A:1,valid,,,,,C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O,
,,3ZQT,,,,,,,
,,,30Z:A:1920,valid,,,,,C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1000,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,1GS4,,,,,,,
,,,PO4:A:1919,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZK5:A:1918,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F,
,,2AM9,,,,,,,
,,,DTT:A:1003,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1000,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,3B66,,,,,,,
,,,B66:A:1,valid,,,,,C[C@](COc1ccc(cc1)[N+](=O)[O-])(C(Nc2ccc(c(c2)C(F)(F)F)C#N)O)O,
,,2PIT,,,,,,,
,,,4HY:A:933,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G0W,,,,,,,
,,,LGB:A:1,valid,Ki,=,0.3,nM,Cc1c(ccc(c1Cl)C#N)/N=C2/N3CC[C@@H]([C@H]3[C@@H](O2)C(F)(F)F)O,
,,1I38,,,,,,,
,,,DHT:A:201,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,2PIP,,,,,,,
,,,DHT:L:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,ICO:L:935,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)O,
,,,K10:L:936,valid,,,,,Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C,
,,,SO4:L:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:933,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5VO4,,,,,,,
,,,9FG:A:1001,valid,ic50,=,3.2,nM,Cn1c(ccc1c2ccc(cc2F)O)C#N,
,,1E3G,,,,,,,
,,,R18:A:1000,valid,,,,,C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O,
,,3RLL,,,,,,,
,,,RLL:A:1,valid,,,,,C[C@](COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O,
,,2AXA,,,,,,,
,,,FHM:A:1,valid,Ki,=,6.1,nM,C[C@](COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O,
,,2IHQ,,,,,,,
,,,LG7:A:90,valid,Ki,=,3.2,nM,c1ccc2c(c1)c(ccc2N3C(=O)[C@@H]4[C@@H](CCN4C3=O)O)C#N,
,,3B68,,,,,,,
,,,B68:A:1,valid,,,,,CC(=O)Nc1ccc(cc1)OC[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)[O-])O,
,,2PIV,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T3:A:933,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,2PIX,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,FLF:A:2386,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,2PIR,,,,,,,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,NK:A:933,valid,,,,,c1ccc(c(c1)C=O)O,
,,,SO4:A:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YHD,,,,,,,
,,,AV6:A:1921,valid,Ki,=,23,uM,c1cc2cccc3c2c(c1)NC(N3)c4ccc(c(c4)O)O,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1920,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,2AX6,,,,,,,
,,,HFT:A:1,valid,,,,,CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O,
,,2PKL,,,,,,,
,,,4HY:A:932,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,LYS LEU LEU PHE:B:924,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)CC(C)C)CC(C)C)C([NH3+])CCCC[NH3+],
,,2PIO,,,,,,,
,,,2MI:A:933,valid,,,,,Cc1cc2ccccc2[nH]1,
,,,2MI:A:934,valid,,,,,Cc1cc2ccccc2[nH]1,
,,,DHT:A:931,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,SO4:A:932,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XQ3,,,,,,,
,,,R18:A:1001,valid,,,,,C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C)O,
,,5V8Q,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,97A:A:1004,valid,ic50,=,3.6,nM,CC[C@H]1[C@H](CC(=O)N1c2ccc(c(c2)C(F)(F)F)C#N)O,
,,4OJB,,,,,,,
,,,198:A:1001,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,2YLQ,,,,,,,
,,,SO4:A:1920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1921,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,,YLQ:A:1922,valid,,,,,Cc1ccc(cc1)OCCn2c3ccccc3nc2SCCC(=O)O,
,,1I37,,,,,,,
,,,DHT:A:201,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,2YLP,,,,,,,
,,,056:A:1922,valid,,,,,c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl,
,,,056:A:1923,valid,,,,,c1cc(cc(c1)C(=O)O)CSCc2ccc(cc2Cl)Cl,
,,,SO4:A:1920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TES:A:1921,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,4JTA,,,,,,,
,,,PGW:B:507,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:515,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:514,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:518,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:509,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:510,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:505,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:511,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:504,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:506,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:513,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:Q:504,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:516,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:519,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:508,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:517,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:512,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,K:B:503,invalid,,,,,[K+],
,,,K:Q:501,invalid,,,,,[K+],
,,,K:Q:503,invalid,,,,,[K+],
,,,K:B:502,invalid,,,,,[K+],
,,,K:Q:502,invalid,,,,,[K+],
,,,K:B:501,invalid,,,,,[K+],
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6WM1,,,,,,,
,,,CL:C:203,invalid,,,,,[Cl-],
,,,ACE PTR 02K ASN PRA:B:1,valid,Ka,=,26000000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)NCCCc3ccccc3)CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,ACE PTR 02K ASN PRA:D:1,valid,Ka,=,26000000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)NCCCc3ccccc3)CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,3IMJ,,,,,,,
,,,AYI:A:1,valid,Ka,=,2100000,M^-1,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O,
,,,AYI:B:1,valid,Ka,=,2100000,M^-1,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O,
,,3C7I,,,,,,,
,,,FMT:A:201,invalid,,,,,C(=O)O,
,,,TVN:A:202,valid,Ka,=,440000,M^-1,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC,
,,3S8O,,,,,,,
,,,ACE PTR 02K ASN NH2:B:1,valid,Ka,=,6960000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,CL:A:170,invalid,,,,,[Cl-],
,,,NA:A:1,invalid,,,,,[Na+],
,,3IN8,,,,,,,
,,,FMT:A:170,invalid,,,,,C(=O)O,
,,,FYI:A:1,valid,Ka,=,400000,M^-1,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O)(O)O)CC(=O)NC,
,,1BMB,,,,,,,
,,,LYS PRO PHE PTR VAL ASN VAL GLU PHE:I:1,valid,ic50,=,0.7,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCCC[NH3+])CCC2)Cc2ccccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc2ccccc2)CCC(=O)[O-])C(C)C)CC(=O)N)C(C)C)cc1)([O-])[O-],
,,3KFJ,,,,,,,
,,,CL:A:164,invalid,,,,,[Cl-],
,,,CL:A:2,invalid,,,,,[Cl-],
,,,MG:A:3,invalid,,,,,[Mg+2],
,,,YEN:A:1,valid,Ka,=,300000,M^-1,CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N,
,,6WO2,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:B:202,invalid,,,,,CC(C)O,
,,,ACE PTR 02K ASN U67:D:1,valid,Ka,=,16000000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)NCCCC(C)C)CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,ACE PTR 02K ASN U67:C:1,valid,Ka,=,16000000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)NCCCC(C)C)CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,1FYR,,,,,,,
,,,ACE PTR VAL ASN VAL:I:-1,valid,ic50,=,2.4,uM,,
,,,ACE PTR VAL ASN VAL:J:-1,valid,ic50,=,2.4,uM,,
,,,ACE PTR VAL ASN VAL:K:-1,valid,ic50,=,2.4,uM,,
,,,ACE PTR VAL ASN VAL:L:-1,valid,ic50,=,2.4,uM,,
,,3S8L,,,,,,,
,,,ACE PTR 192 ASN NH2:B:1,valid,Ka,=,430000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCC2)cc1)([O-])[O-],
,,,CL:A:1,invalid,,,,,[Cl-],
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,3IN7,,,,,,,
,,,AYQ:A:1,valid,Ka,=,1200000,M^-1,CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O,
,,,AYQ:C:1,valid,Ka,=,1200000,M^-1,CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N)c2ccc(cc2)OP(=O)(O)O,
,,4P9V,,,,,,,
,,,PHQ PTR 02K ASN NH2:B:1,valid,Kd,=,0.154,uM,P(=O)(Oc1ccc(CC(NC(=O)OC=C2C=CC=CC2)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,3OVE,,,,,,,
,,,ACT PTR 03E ASN NH2:B:1,valid,Ka,=,3700000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCCCCC2)cc1)([O-])[O-],
,,,CL:A:174,invalid,,,,,[Cl-],
,,1BM2,,,,,,,
,,,ACE SLZ PTR VAL ASN VAL PRO:L:1,valid,ic50,=,0.11,uM,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCSCC(NC(=O)C)C(=O)N2)CCC3)cc1)([O-])[O-],
,,4P9Z,,,,,,,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,NMI PTR 02K ASN NH2:B:1,valid,Kd,=,87.7,nM,P(=O)(Oc1ccc(CC(NC(=O)CCc2c3c(n(C)c2)cccc3)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCCCC2)cc1)([O-])[O-],
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,CL:A:204,invalid,,,,,[Cl-],
,,3OV1,,,,,,,
,,,ACT PTR 1AC ASN NH2:B:1,valid,Ka,=,160000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CC2)cc1)([O-])[O-],
,,,FMT:A:7,invalid,,,,,C(=O)O,
,,,GOL:A:174,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,NA:A:8,Part of Protein,,,,,[Na+],
,,2HUW,,,,,,,
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,YVN:A:203,valid,Ka,=,1000000,M^-1,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O,
,,,YVN:B:202,valid,Ka,=,1000000,M^-1,CC(C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@@H]1[C@H]([C@H]1C(=O)NC)c2ccc(cc2)OP(=O)(O)O,
,,3N8M,,,,,,,
,,,6NA PTR VAL ASN VAL 9PR:B:1,valid,Ka,=,6500000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)CCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC)CCC2)C(C)C)CC(=O)N)C(C)C)cc1)([O-])[O-],
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,,3S8N,,,,,,,
,,,ACE PTR AC5 ASN NH2:B:1,valid,Ka,=,1610000,M^-1,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC2(C(=O)NC(C(=O)[NH3+])CC(=O)N)CCCC2)cc1)([O-])[O-],
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,3IMD,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:A:6,invalid,,,,,[Cl-],
,,,CL:B:170,invalid,,,,,[Cl-],
,,,FYQ:A:1,valid,Ka,=,560000,M^-1,CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N,
,,,FYQ:B:1,valid,Ka,=,560000,M^-1,CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N,
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,3N84,,,,,,,
,,,CL:A:10,invalid,,,,,[Cl-],
,,,CL:A:9,invalid,,,,,[Cl-],
,,,GOL:B:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:7,invalid,,,,,C(C(CO)O)O,
,,,MG:C:8,invalid,,,,,[Mg+2],
,,,PTR VAL ASN VAL PRO 011:G:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,,,PTR VAL ASN VAL PRO 011:H:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,,,PTR VAL ASN VAL PRO 011:I:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,,,PTR VAL ASN VAL PRO 011:J:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,,,PTR VAL ASN VAL PRO 011:K:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,,,PTR VAL ASN VAL PRO 011:L:1,valid,,,,,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N3C(C(=O)NCCCCCCC(=O)N2)CCC3)cc1)([O-])[O-],
,Family. Representative Entry is ,6C99,,,,,,,
,,,CIT:C:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EQY:C:301,valid,Kd,=,2.4,uM,COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4,
,,,EQY:A:301,valid,Kd,=,2.4,uM,COC(=O)c1c(nc2ncnn2c1c3cc(cc(c3)F)F)c4cccnc4,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6C98,,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:102,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:103,invalid,,,,,C(COCCO)O,
,,,CYS:A:301,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:C:301,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,ER7:D:101,valid,Kd,~,80,uM,Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C,
,,,ER7:B:101,valid,Kd,~,80,uM,Cc1c(c(n2c(n1)ncn2)c3cccc(c3)F)C(=O)C,
,Family. Representative Entry is ,5CC2,,,,,,,
,,,CKA:A:301,valid,Kd,=,80,uM,c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O,
,,,CKA:A:302,valid,Kd,=,80,uM,c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O,
,,,CKA:A:303,valid,Kd,=,80,uM,c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,2V3U,,,,,,,
,,,CL:A:1264,invalid,,,,,[Cl-],
,,,DSN:A:1262,valid,Kd,=,1,mM,C([C@H](C(=O)O)N)O,
,,,NA:A:1263,Part of Protein,,,,,[Na+],
,,,SCN:A:1265,invalid,,,,,C(#N)[S-],
,,,SCN:A:1266,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,2E4U,,,,,,,
,,,GLU:A:701,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2E4W,,,,,,,
,,,C5A:A:1001,valid,,,,,C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N,
,,,C5A:B:2001,valid,,,,,C1C[C@](C[C@H]1C(=O)O)(C(=O)O)N,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2E4V,,,,,,,
,,,2CG:A:1001,valid,,,,,C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N,
,,,2CG:B:2001,valid,,,,,C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5MWJ,,,,,,,
,,,EBU:B:801,valid,Kd,=,24.7,nM,[H]/N=C(/N)NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O,
,,,EBU:A:802,valid,Kd,=,24.7,nM,[H]/N=C(/N)NCCC[C@H]1C(=O)N2CCC[C@@]2(CCCCn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C@H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)O,
,,,DMS:A:801,invalid,,,,,CS(=O)C,
,,2CE8,,,,,,,
,,,MET PHE SER ILE ASP ASN ILE LEU ALA:X:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(C)C)C(CC)C)CC(=O)N)CC(=O)[O-])C(CC)C)CO)Cc1ccccc1)C,
,,,MET PHE SER ILE ASP ASN ILE LEU ALA:Y:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CC(C)C)C(CC)C)CC(=O)N)CC(=O)[O-])C(CC)C)CO)Cc1ccccc1)C,
,,2CE9,,,,,,,
,,,MET TRP ARG PRO TRP:X:2,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)Cc2c3c([nH]c2)cccc3)CCC1)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C,
,,,MET TRP ARG PRO TRP:Y:2,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)Cc2c3c([nH]c2)cccc3)CCC1)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)C,
,Family. Representative Entry is ,6GGG,,,,,,,
,,,CL:A:1101,invalid,,,,,[Cl-],
,,,EYN:A:1102,valid,Ki,=,0.63,nM,CC(C)Cc1cc2c(cc1F)OC[C@@H](N2C(=O)c3ccc4c(c3)NC(=O)CO4)CC(=O)NC,
,,5MWY,,,,,,,
,,,YNU:A:1101,valid,Ki,=,100,nM,C[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC,
,,5MWP,,,,,,,
,,,ECV:A:1101,valid,Ki,=,31.6,nM,CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F,
,,6GG8,,,,,,,
,,,MPD:A:1101,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,EY8:A:1102,valid,Ki,=,0.79,nM,c1cc2c(cc1C(=O)N3c4ccc(cc4OC[C@@H]3CS(=O)(=O)N)F)NC(=O)CO2,
,,6GEV,,,,,,,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,EWN:A:1104,valid,Ki,=,1.9,nM,CC(C)C[C@H]1COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F,
,Family. Representative Entry is ,6I6H,,,,,,,
,,,OLC:A:410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:401,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,ALA GLU LYS ASP GLU LEU:B:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])CCCC[NH3+])CC(=O)[O-])CCC(=O)[O-])CC(C)C,
,Family. Representative Entry is ,4IPE,,,,,,,
,,,CO:B:804,invalid,,,,,[Co+2],
,,,CO:A:804,invalid,,,,,[Co+2],
,,,CO:B:801,invalid,,,,,[Co+2],
,,,CO:A:803,invalid,,,,,[Co+2],
,,,ANP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,4IYN,,,,,,,
,,,CO:B:802,invalid,,,,,[Co+2],
,,,CO:A:801,invalid,,,,,[Co+2],
,,,CO:B:801,invalid,,,,,[Co+2],
,,,CO:A:805,Part of Protein,,,,,[Co+2],
,,,ADP ALF:B:803,valid,,,,,,
,,,ADP ALF:A:802,valid,,,,,,
,,,MG:B:805,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2C04,,,,,,,
,,,CA:A:1299,Part of Protein,,,,,[Ca+2],
,,,CA:A:1300,Part of Protein,,,,,[Ca+2],
,,,GCP:A:1298,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:1297,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,1O87,,,,,,,
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,FMT:A:1297,invalid,,,,,C(=O)O,
,,,FMT:A:1298,invalid,,,,,C(=O)O,
,,,FMT:B:1296,invalid,,,,,C(=O)O,
,,,FMT:B:1297,invalid,,,,,C(=O)O,
,,,FMT:B:1298,invalid,,,,,C(=O)O,
,,,GDP:A:1299,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1299,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1300,Part of Protein,,,,,[Mg+2],
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1300,Part of Protein,,,,,[Mg+2],
,,,MG:B:1301,Part of Protein,,,,,[Mg+2],
,,2NG1,,,,,,,
,,,DIO:A:800,invalid,,,,,C1COCCO1,
,,,EDO:A:971,invalid,,,,,C(CO)O,
,,,EDO:A:973,invalid,,,,,C(CO)O,
,,,GDP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1NG1,,,,,,,
,,,ACY:A:950,invalid,,,,,CC(=O)O,
,,,ACY:A:951,invalid,,,,,CC(=O)O,
,,,ACY:A:952,invalid,,,,,CC(=O)O,
,,,ACY:A:953,invalid,,,,,CC(=O)O,
,,,CD:A:701,invalid,,,,,[Cd+2],
,,,CD:A:751,invalid,,,,,[Cd+2],
,,,CD:A:752,invalid,,,,,[Cd+2],
,,,EDO:A:970,invalid,,,,,C(CO)O,
,,,EDO:A:971,invalid,,,,,C(CO)O,
,,,EDO:A:972,invalid,,,,,C(CO)O,
,,,GDP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:912,Part of Protein,,,,,[Mg+2],
,,2C03,,,,,,,
,,,DIO:A:1298,invalid,,,,,C1COCCO1,
,,,DIO:A:1299,invalid,,,,,C1COCCO1,
,,,DIO:A:1300,invalid,,,,,C1COCCO1,
,,,DIO:A:1301,invalid,,,,,C1COCCO1,
,,,DIO:A:1302,invalid,,,,,C1COCCO1,
,,,DIO:A:1303,invalid,,,,,C1COCCO1,
,,,DIO:A:1304,invalid,,,,,C1COCCO1,
,,,DIO:B:1300,invalid,,,,,C1COCCO1,
,,,DIO:B:1301,invalid,,,,,C1COCCO1,
,,,DIO:B:1302,invalid,,,,,C1COCCO1,
,,,DIO:B:1303,invalid,,,,,C1COCCO1,
,,,DIO:B:1304,invalid,,,,,C1COCCO1,
,,,DIO:B:1305,invalid,,,,,C1COCCO1,
,,,DIO:B:1306,invalid,,,,,C1COCCO1,
,,,EDO:A:1297,invalid,,,,,C(CO)O,
,,,EDO:B:1298,invalid,,,,,C(CO)O,
,,,EDO:B:1299,invalid,,,,,C(CO)O,
,,,GDP:A:1296,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1297,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1JPJ,,,,,,,
,,,GNP:A:967,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,1JPN,,,,,,,
,,,ACY:A:952,invalid,,,,,CC(=O)O,
,,,ACY:A:953,invalid,,,,,CC(=O)O,
,,,ACY:B:950,invalid,,,,,CC(=O)O,
,,,ACY:B:951,invalid,,,,,CC(=O)O,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:900,Part of Protein,,,,,[Ca+2],
,,,GNP:A:911,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:910,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5LGA,,,,,,,
,,,6VH:A:501,valid,ic50,=,0.23,nM,C[C@]12CCCC(=C/C=C3/C[C@H](C[C@@H](C3=C)O)O)[C@@H]1CC[C@@H]2[C@H](CC#CC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O,
,,4FHH,,,,,,,
,,,0U3:A:501,valid,ic50,=,35,nM,CCC(CC)(c1ccc(c(c1)C)OC[C@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO,
,,4IA1,,,,,,,
,,,BIV:A:501,valid,,,,,C[C@]12CCC/C(=CC=C/3C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H]2C(CCCC(C)(C)O)CCCC(C)(C)O,
,,3O1E,,,,,,,
,,,H97:A:1,valid,,,,,C[C@]12CCC/C(=CC=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O,
,,4FHI,,,,,,,
,,,0S4:A:501,valid,ic50,=,100,nM,CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)NO,
,,3O1D,,,,,,,
,,,G72:A:1,valid,,,,,C[C@]12CCC/C(=CC=C3C[C@H](C[C@@H](C3)O)O)/[C@@H]1CC[C@@H]2[C@@H](CCCC(C)(C)O)CC#CC(C(F)(F)F)(C(F)(F)F)O,
,Family. Representative Entry is ,1MH1,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,2W2T,,,,,,,
,,,GDP:A:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1180,Part of Protein,,,,,[Mg+2],
,,2P2L,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,2W2V,,,,,,,
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5MT9,,,,,,,
,,,SRO:O:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:G:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:I:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Q:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Y:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:E:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:K:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:A:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:S:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:W:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:M:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:S:102,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:C:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:R:102,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,CL:Z:101,invalid,,,,,[Cl-],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:T:102,invalid,,,,,[Cl-],
,,,CL:F:102,invalid,,,,,[Cl-],
,,,CL:P:101,invalid,,,,,[Cl-],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:R:101,Part of Protein,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,ZN:T:101,Part of Protein,,,,,[Zn+2],
,,,ZN:H:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ARG:N:101,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:L:101,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:103,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:103,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,5EMS,,,,,,,
,,,IPH:A:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:I:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:E:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:K:101,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:F:101,invalid,,,,,[Cl-],
,,2OMI,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:J:401,invalid,,,,,[Cl-],
,,,RCO:A:301,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:306,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:303,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:302,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:305,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:304,valid,,,,,c1cc(cc(c1)O)O,
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,2OM1,,,,,,,
,,,GOL:T:1101,invalid,,,,,C(C(CO)O)O,
,,,RCO:1:1007,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:3:1006,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:1011,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:1009,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:1014,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:1002,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:1013,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:1004,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:Q:1003,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:S:1008,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:U:1001,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:X:1015,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:1016,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:1012,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:1005,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:1010,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:1018,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:1017,valid,,,,,c1cc(cc(c1)O)O,
,,,SCN:B:905,invalid,,,,,C(#N)[S-],
,,,SCN:D:906,invalid,,,,,C(#N)[S-],
,,,SCN:R:903,invalid,,,,,C(#N)[S-],
,,,SCN:Y:904,invalid,,,,,C(#N)[S-],
,,,SCN:B:901,invalid,,,,,C(#N)[S-],
,,,SCN:H:902,invalid,,,,,C(#N)[S-],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:802,Part of Protein,,,,,[Zn+2],
,,,ZN:R:803,Part of Protein,,,,,[Zn+2],
,,,ZN:Y:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,ZN:H:805,Part of Protein,,,,,[Zn+2],
,,4AJX,,,,,,,
,,,16E:A:1022,invalid,,,,,C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,16E:H:1031,invalid,,,,,C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,RCO:D:1029,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:B:1030,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:1022,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:J:1029,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:L:1030,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:1022,valid,,,,,c1cc(cc(c1)O)O,
,,,IMD:D:1030,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:K:1022,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:L:1031,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:H:1032,Part of Protein,,,,,[Na+],
,,,NA:B:1031,invalid,,,,,[Na+],
,,,ZN:F:1029,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1030,Part of Protein,,,,,[Zn+2],
,,1QIY,,,,,,,
,,,CL:J:1002,invalid,,,,,[Cl-],
,,,CL:L:1002,invalid,,,,,[Cl-],
,,,IPH:A:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:E:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:I:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:K:22,valid,,,,,c1ccc(cc1)O,
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,2OLY,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:F:404,invalid,,,,,[Cl-],
,,,CL:H:401,invalid,,,,,[Cl-],
,,,CL:H:405,invalid,,,,,[Cl-],
,,,CL:J:403,invalid,,,,,[Cl-],
,,,GOL:F:701,invalid,,,,,C(C(CO)O)O,
,,,RCO:A:501,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:B:506,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:504,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:503,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:502,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:505,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:J:507,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:508,valid,,,,,c1cc(cc(c1)O)O,
,,,URE:A:603,invalid,,,,,C(=O)(N)N,
,,,URE:C:607,invalid,,,,,C(=O)(N)N,
,,,URE:E:605,invalid,,,,,C(=O)(N)N,
,,,URE:F:601,invalid,,,,,C(=O)(N)N,
,,,URE:G:602,invalid,,,,,C(=O)(N)N,
,,,URE:G:606,invalid,,,,,C(=O)(N)N,
,,,URE:I:604,invalid,,,,,C(=O)(N)N,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,4E7V,,,,,,,
,,,CL:2:102,invalid,,,,,[Cl-],
,,,CL:4:102,invalid,,,,,[Cl-],
,,,CL:6:102,invalid,,,,,[Cl-],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:F:101,invalid,,,,,[Cl-],
,,,CL:N:102,invalid,,,,,[Cl-],
,,,CL:P:102,invalid,,,,,[Cl-],
,,,CL:Z:102,invalid,,,,,[Cl-],
,,,CRS:1:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:3:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:5:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:A:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:E:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:G:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:I:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:K:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:M:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:O:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:Q:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:S:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:U:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:W:101,valid,,,,,Cc1cccc(c1)O,
,,,CRS:Y:101,valid,,,,,Cc1cccc(c1)O,
,,,ZN:2:101,Part of Protein,,,,,[Zn+2],
,,,ZN:4:101,Part of Protein,,,,,[Zn+2],
,,,ZN:6:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ZN:N:101,Part of Protein,,,,,[Zn+2],
,,,ZN:P:101,Part of Protein,,,,,[Zn+2],
,,,ZN:Z:101,Part of Protein,,,,,[Zn+2],
,,1BEN,,,,,,,
,,,CL:D:32,invalid,,,,,[Cl-],
,,,HBD:C:101,valid,,,,,c1cc(ccc1C(=O)N)O,
,,,HBD:D:102,valid,,,,,c1cc(ccc1C(=O)N)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,5HPU,,,,,,,
,,,IPH:A:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:101,valid,,,,,c1ccc(cc1)O,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,1EV3,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:D:32,invalid,,,,,[Cl-],
,,,CRS:A:22,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:22,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:23,valid,,,,,Cc1cccc(c1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,5UDP,,,,,,,
,,,IPH:A:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:I:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:E:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:K:101,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,NA:C:102,Part of Protein,,,,,[Na+],
,,5HRQ,,,,,,,
,,,IPH:A:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:I:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:E:101,valid,,,,,c1ccc(cc1)O,
,,,IPH:K:101,valid,,,,,c1ccc(cc1)O,
,,,CL:H:101,invalid,,,,,[Cl-],
,,,CL:F:101,invalid,,,,,[Cl-],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,1ZNJ,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:H:31,invalid,,,,,[Cl-],
,,,IPH:A:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:33,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:E:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:I:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:K:22,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,2OMG,,,,,,,
,,,ARF:A:704,invalid,,,,,C(=O)N,
,,,ARF:B:703,invalid,,,,,C(=O)N,
,,,ARF:D:701,invalid,,,,,C(=O)N,
,,,ARF:E:705,invalid,,,,,C(=O)N,
,,,ARF:F:702,invalid,,,,,C(=O)N,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CRS:A:502,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:501,valid,,,,,Cc1cccc(c1)O,
,,,CRS:E:503,valid,,,,,Cc1cccc(c1)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,URE:A:602,invalid,,,,,C(=O)(N)N,
,,,URE:A:605,invalid,,,,,C(=O)(N)N,
,,,URE:B:604,invalid,,,,,C(=O)(N)N,
,,,URE:C:603,invalid,,,,,C(=O)(N)N,
,,,URE:D:606,invalid,,,,,C(=O)(N)N,
,,,URE:E:601,invalid,,,,,C(=O)(N)N,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,1TYL,,,,,,,
,,,CL:D:32,invalid,,,,,[Cl-],
,,,TYL:C:100,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1MPJ,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:D:32,invalid,,,,,[Cl-],
,,,IPH:A:200,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1ZEG,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:D:32,invalid,,,,,[Cl-],
,,,IPH:A:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:B:33,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:22,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1ZEH,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:D:32,invalid,,,,,[Cl-],
,,,CRS:A:22,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:22,valid,,,,,Cc1cccc(c1)O,
,,,CRS:D:33,valid,,,,,Cc1cccc(c1)O,
,,,CRS:D:34,valid,,,,,Cc1cccc(c1)O,
,,,CRS:D:35,valid,,,,,Cc1cccc(c1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,2OM0,,,,,,,
,,,CL:B:903,invalid,,,,,[Cl-],
,,,CL:D:904,invalid,,,,,[Cl-],
,,,CL:R:905,invalid,,,,,[Cl-],
,,,CL:Y:906,invalid,,,,,[Cl-],
,,,CL:B:902,invalid,,,,,[Cl-],
,,,CL:H:901,invalid,,,,,[Cl-],
,,,RCO:1:713,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:3:706,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:714,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:701,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:712,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:705,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:702,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:703,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:Q:710,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:S:711,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:U:704,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:X:718,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:716,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:715,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:707,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:709,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:717,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:708,valid,,,,,c1cc(cc(c1)O)O,
,,,URE:1:1008,invalid,,,,,C(=O)(N)N,
,,,URE:A:1001,invalid,,,,,C(=O)(N)N,
,,,URE:C:1002,invalid,,,,,C(=O)(N)N,
,,,URE:D:1010,invalid,,,,,C(=O)(N)N,
,,,URE:E:1003,invalid,,,,,C(=O)(N)N,
,,,URE:G:1004,invalid,,,,,C(=O)(N)N,
,,,URE:I:1005,invalid,,,,,C(=O)(N)N,
,,,URE:Q:1006,invalid,,,,,C(=O)(N)N,
,,,URE:S:1007,invalid,,,,,C(=O)(N)N,
,,,URE:U:1012,invalid,,,,,C(=O)(N)N,
,,,URE:D:1011,invalid,,,,,C(=O)(N)N,
,,,URE:G:1009,invalid,,,,,C(=O)(N)N,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:802,Part of Protein,,,,,[Zn+2],
,,,ZN:R:803,Part of Protein,,,,,[Zn+2],
,,,ZN:Y:804,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,ZN:H:805,Part of Protein,,,,,[Zn+2],
,,1EV6,,,,,,,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:D:304,invalid,,,,,[Cl-],
,,,CRS:A:306,valid,,,,,Cc1cccc(c1)O,
,,,CRS:A:312,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:307,valid,,,,,Cc1cccc(c1)O,
,,,CRS:E:308,valid,,,,,Cc1cccc(c1)O,
,,,CRS:G:309,valid,,,,,Cc1cccc(c1)O,
,,,CRS:I:310,valid,,,,,Cc1cccc(c1)O,
,,,CRS:K:311,valid,,,,,Cc1cccc(c1)O,
,,,NA:C:305,Part of Protein,,,,,[Na+],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,5MAM,,,,,,,
,,,ZN:5:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:R:101,Part of Protein,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,ZN:T:101,Part of Protein,,,,,[Zn+2],
,,,ZN:3:101,Part of Protein,,,,,[Zn+2],
,,,ZN:H:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,SRO:O:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:G:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:I:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Q:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:0:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Y:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:E:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:K:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Y:102,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:2:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:3:103,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:W:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:M:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:C:101,valid,Kd,=,3.34,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:X:101,invalid,,,,,[Cl-],
,,,CL:T:102,invalid,,,,,[Cl-],
,,,CL:5:102,invalid,,,,,[Cl-],
,,,CL:F:102,invalid,,,,,[Cl-],
,,,CL:3:102,invalid,,,,,[Cl-],
,,,CL:P:101,invalid,,,,,[Cl-],
,,1TYM,,,,,,,
,,,CL:D:32,invalid,,,,,[Cl-],
,,,TYL:C:100,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,4AKJ,,,,,,,
,,,CL:B:1031,invalid,,,,,[Cl-],
,,,CL:D:1031,invalid,,,,,[Cl-],
,,,IPH:C:1022,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:1023,valid,,,,,c1ccc(cc1)O,
,,,ZN:D:1030,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1030,Part of Protein,,,,,[Zn+2],
,,,16E:B:1022,invalid,,,,,C(CCCCCCCC(=O)O)CCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,3GKY,,,,,,,
,,,CL:B:32,invalid,,,,,[Cl-],
,,,CL:D:32,invalid,,,,,[Cl-],
,,,IPH:C:100,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1WAV,,,,,,,
,,,IPH:A:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:C:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:F:31,valid,,,,,c1ccc(cc1)O,
,,,IPH:G:22,valid,,,,,c1ccc(cc1)O,
,,,IPH:H:31,valid,,,,,c1ccc(cc1)O,
,,,IPH:J:31,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1LPH,,,,,,,
,,,CL:D:32,invalid,,,,,[Cl-],
,,,IPH:C:100,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:31,Part of Protein,,,,,[Zn+2],
,,,ZN:D:31,Part of Protein,,,,,[Zn+2],
,,1EVR,,,,,,,
,,,CL:D:304,invalid,,,,,[Cl-],
,,,CL:J:303,invalid,,,,,[Cl-],
,,,NA:J:305,Part of Protein,,,,,[Na+],
,,,RCO:A:306,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:312,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:B:313,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:307,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:308,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:309,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:310,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:311,valid,,,,,c1cc(cc(c1)O)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,2OLZ,,,,,,,
,,,GOL:K:701,invalid,,,,,C(C(CO)O)O,
,,,RCO:A:605,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:604,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:602,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:603,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:606,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:601,valid,,,,,c1cc(cc(c1)O)O,
,,,SCN:B:502,invalid,,,,,C(#N)[S-],
,,,SCN:H:501,invalid,,,,,C(#N)[S-],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:H:401,Part of Protein,,,,,[Zn+2],
,,1QIZ,,,,,,,
,,,CL:J:1002,invalid,,,,,[Cl-],
,,,CL:L:1002,invalid,,,,,[Cl-],
,,,RCO:A:22,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:22,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:22,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:G:22,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:I:22,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:K:22,valid,,,,,c1cc(cc(c1)O)O,
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,5MT3,,,,,,,
,,,SRO:O:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:G:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:D:102,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:I:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:Q:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:K:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:A:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:S:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:E:102,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:W:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:C:101,valid,Kd,=,3.12,mM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:F:101,Part of Protein,,,,,[Zn+2],
,,,ZN:E:101,invalid,,,,,[Zn+2],
,,,ZN:T:101,Part of Protein,,,,,[Zn+2],
,,,ZN:H:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:T:102,invalid,,,,,[Cl-],
,,,CL:H:102,invalid,,,,,[Cl-],
,,,CL:F:102,invalid,,,,,[Cl-],
,,,ARG:N:101,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:L:101,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:103,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:F:103,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,1UZ9,,,,,,,
,,,CL:B:1031,invalid,,,,,[Cl-],
,,,CRS:A:1022,valid,,,,,Cc1cccc(c1)O,
,,,UZ9:B:1029,Part of Protein,,,,,C[C@H](CCC(=O)NCCCC[C@@H](C(=O)O)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C,
,,,ZN:B:1030,Part of Protein,,,,,[Zn+2],
,,4AJZ,,,,,,,
,,,IPH:D:1032,valid,,,,,c1ccc(cc1)O,
,,,CL:D:1031,invalid,,,,,[Cl-],
,,,ZN:D:1030,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1030,Part of Protein,,,,,[Zn+2],
,,6CK2,,,,,,,
,,,ZN:D:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,CL:D:102,invalid,,,,,[Cl-],
,,,IPH:C:101,valid,,,,,c1ccc(cc1)O,
,,2OMH,,,,,,,
,,,ARF:D:702,invalid,,,,,C(=O)N,
,,,ARF:F:701,invalid,,,,,C(=O)N,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,RCO:A:502,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:503,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:E:501,valid,,,,,c1cc(cc(c1)O)O,
,,,URE:A:601,invalid,,,,,C(=O)(N)N,
,,,URE:C:603,invalid,,,,,C(=O)(N)N,
,,,URE:E:604,invalid,,,,,C(=O)(N)N,
,,,URE:F:602,invalid,,,,,C(=O)(N)N,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,1Q4V,,,,,,,
,,,IPH:C:200,valid,,,,,c1ccc(cc1)O,
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:102,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5U9J,,,,,,,
,,,IPA:A:302,invalid,,,,,CC(C)O,
,,,GER:A:301,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,GER:B:301,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3OLL,,,,,,,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,3OMQ,,,,,,,
,,,W23:A:1,valid,,,,,c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F,
,,,W23:B:1,valid,,,,,c1cc2c(cc1O)CC[N@](C2)S(=O)(=O)C(F)(F)F,
,,3OMO,,,,,,,
,,,WV7:A:1,valid,,,,,c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F,
,,,WV7:B:1,valid,,,,,c1cc2c(cc1O)CCN(C2)C(=O)C(F)(F)F,
,,3OLS,,,,,,,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,1M2Z,,,,,,,
,,,BOG:A:501,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:778,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:779,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DEX:A:301,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,DEX:D:401,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,Family. Representative Entry is ,2BYS,,,,,,,
,,,LOB:A:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:B:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:C:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:D:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:E:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:F:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:G:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:H:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:I:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,,LOB:J:301,valid,Kd,=,0.3,nM,C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C@H](c3ccccc3)O,
,,2WNC,,,,,,,
,,,TKT:A:300,valid,Kd,=,479,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4,
,,,TKT:B:300,valid,Kd,=,479,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4,
,,,TKT:C:300,valid,Kd,=,479,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4,
,,,TKT:D:300,valid,Kd,=,479,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4,
,,,TKT:E:300,valid,Kd,=,479,nM,CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c3c[nH]c4c3cccc4,
,,2XYT,,,,,,,
,,,TC9:B:1206,valid,Ki,=,509.2,nM,C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC,
,,,TC9:D:1206,valid,Ki,=,509.2,nM,C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC,
,,,TC9:F:1206,valid,Ki,=,509.2,nM,C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC,
,,,TC9:G:1206,valid,Ki,=,509.2,nM,C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC,
,,,TC9:H:1206,valid,Ki,=,509.2,nM,C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC,
,,2YMD,,,,,,,
,,,GOL:A:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1211,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1214,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1213,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1217,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1215,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1215,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1215,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1217,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1215,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:1216,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:1214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:1207,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:1214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:1214,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SRO:A:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:1212,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:C:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:D:1214,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:E:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:F:1214,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:G:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:H:1206,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:I:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:J:1213,valid,Kd,=,693,uM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,4DBM,,,,,,,
,,,0J0:A:302,valid,Kd,=,24,nM,CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C,
,,,0J0:B:300,valid,Kd,=,24,nM,CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C,
,,,0J0:C:300,valid,Kd,=,24,nM,CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C,
,,,0J0:D:300,valid,Kd,=,24,nM,CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C,
,,,0J0:E:306,valid,Kd,=,24,nM,CN1c2ccccc2C(=CC1=O)OCc3cn(nn3)C4C[C@H]5CC[C@@H](C4)[N+]5(C)C,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,3C79,,,,,,,
,,,IM4:A:301,valid,Kd,=,63,nM,c1cc(ncc1CN2CCN/C2=N[N+](=O)[O-])Cl,
,,,IM4:B:302,valid,Kd,=,63,nM,c1cc(ncc1CN2CCN/C2=N[N+](=O)[O-])Cl,
,,,IM4:C:303,valid,Kd,=,63,nM,c1cc(ncc1CN2CCN/C2=N[N+](=O)[O-])Cl,
,,,IM4:D:304,valid,Kd,=,63,nM,c1cc(ncc1CN2CCN/C2=N[N+](=O)[O-])Cl,
,,,IPA:A:404,invalid,,,,,CC(C)O,
,,,IPA:C:401,invalid,,,,,CC(C)O,
,,,IPA:D:402,invalid,,,,,CC(C)O,
,,2BYR,,,,,,,
,,,MLK:A:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:B:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:C:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:D:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:E:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:F:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:G:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:H:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:I:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:J:301,valid,Kd,=,2.8,nM,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,4XHE,,,,,,,
,,,40P:C:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:D:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:H:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:I:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:F:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:A:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:G:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:J:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:B:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,40P:E:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O,
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:I:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CL:J:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,2WNJ,,,,,,,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZY7:A:301,valid,Kd,=,330,nM,COc1ccc(c(c1)OC)C=C2/CCCN=C2c3cccnc3,
,,,ZY7:B:301,valid,Kd,=,330,nM,COc1ccc(c(c1)OC)C=C2/CCCN=C2c3cccnc3,
,,,ZY7:C:301,valid,Kd,=,330,nM,COc1ccc(c(c1)OC)C=C2/CCCN=C2c3cccnc3,
,,,ZY7:D:301,valid,Kd,=,330,nM,COc1ccc(c(c1)OC)C=C2/CCCN=C2c3cccnc3,
,,,ZY7:E:301,valid,Kd,=,330,nM,COc1ccc(c(c1)OC)C=C2/CCCN=C2c3cccnc3,
,,2PGZ,,,,,,,
,,,COC:A:401,valid,Kd,=,1.8,uM,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,,,COC:D:401,valid,Kd,=,1.8,uM,C[N@]1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC,
,,,NAG:B:402,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,PG4:B:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:403,invalid,,,,,C(COCCOCCOCCO)O,
,,2XNV,,,,,,,
,,,VU3:A:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:B:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:C:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:D:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:E:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:F:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:G:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:H:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:I:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,,VU3:J:301,valid,Ki,=,5,uM,c1ccc(cc1)C2CCN(CC2)CCc3cc4ccccc4[nH]3,
,,5AIN,,,,,,,
,,,QMR:A:1207,valid,,,,,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:C:1207,valid,,,,,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:B:1207,valid,,,,,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:E:1207,valid,,,,,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:D:1207,valid,,,,,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,2WN9,,,,,,,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,ZY5:A:301,valid,Kd,=,3,nM,COc1cc(ccc1C=C2/CCCN=C2c3cccnc3)O,
,,,ZY5:B:301,valid,Kd,=,3,nM,COc1cc(ccc1C=C2/CCCN=C2c3cccnc3)O,
,,,ZY5:C:301,valid,Kd,=,3,nM,COc1cc(ccc1C=C2/CCCN=C2c3cccnc3)O,
,,,ZY5:D:301,valid,Kd,=,3,nM,COc1cc(ccc1C=C2/CCCN=C2c3cccnc3)O,
,,,ZY5:E:301,valid,Kd,=,3,nM,COc1cc(ccc1C=C2/CCCN=C2c3cccnc3)O,
,,3C84,,,,,,,
,,,IPA:A:404,invalid,,,,,CC(C)O,
,,,IPA:B:407,invalid,,,,,CC(C)O,
,,,IPA:C:402,invalid,,,,,CC(C)O,
,,,IPA:C:406,invalid,,,,,CC(C)O,
,,,IPA:C:408,invalid,,,,,CC(C)O,
,,,IPA:D:401,invalid,,,,,CC(C)O,
,,,IPA:D:405,invalid,,,,,CC(C)O,
,,,MG:C:410,invalid,,,,,[Mg+2],
,,,MG:E:409,invalid,,,,,[Mg+2],
,,,TH4:A:301,valid,Kd,=,14,nM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:B:302,valid,Kd,=,14,nM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:C:303,valid,Kd,=,14,nM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:D:304,valid,Kd,=,14,nM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,2XYS,,,,,,,
,,,SY9:A:1206,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,,SY9:B:1206,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,,SY9:C:1206,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,,SY9:D:1206,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,,SY9:E:1206,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,,SY9:E:1207,valid,Ki,=,38,nM,c1ccc2c(c1)[C@]34CC[N@@]5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5,
,,4BFQ,,,,,,,
,,,083:C:303,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:C:301,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:E:303,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:E:301,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:E:302,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:C:302,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:D:301,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:D:303,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:A:302,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:D:302,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:A:303,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:B:302,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:B:301,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,083:A:301,valid,,,,,Cc1cc(nc(n1)/C(=N/c2c3ccccc3cc(n2)c4ccccn4)/N)C,
,,,GOL:D:1206,invalid,,,,,C(C(CO)O)O,
,,4XK9,,,,,,,
,,,41J:E:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:A:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:G:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:D:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:I:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:C:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:J:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:B:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:H:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,41J:F:301,valid,,,,,C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)C/C(=C/CCC3=NC[C@@H]1C)/C)(C)O)C)O)C=C,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:J:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,2YME,,,,,,,
,,,CWB:A:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:B:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:C:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:D:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:E:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:F:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:G:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:H:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:I:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,CWB:J:1207,valid,Kd,=,343,uM,Cn1c2ccccc2c(n1)C(=O)NC3C[C@H]4CCC[C@@H](C3)N4C,
,,,NA:I:1208,invalid,,,,,[Na+],
,,,NAG:A:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1208,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1209,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:1206,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:1208,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1RJ9,,,,,,,
,,,GCP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,1OKK,,,,,,,
,,,BZP:A:1296,invalid,,,,,C1CN(CCN1)C(=O)O,
,,,BZP:A:1297,invalid,,,,,C1CN(CCN1)C(=O)O,
,,,EDO:D:1309,invalid,,,,,C(CO)O,
,,,EDO:D:1310,invalid,,,,,C(CO)O,
,,,EDO:D:1311,invalid,,,,,C(CO)O,
,,,EDO:D:1312,invalid,,,,,C(CO)O,
,,,GCP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1299,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2J7P,,,,,,,
,,,EDO:A:1297,invalid,,,,,C(CO)O,
,,,EDO:A:1298,invalid,,,,,C(CO)O,
,,,EDO:D:1306,invalid,,,,,C(CO)O,
,,,EDO:D:1307,invalid,,,,,C(CO)O,
,,,EDO:E:1306,invalid,,,,,C(CO)O,
,,,EDO:E:1307,invalid,,,,,C(CO)O,
,,,GNP:A:1400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:1400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:1400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,IOD:A:1299,invalid,,,,,[I-],
,,,IOD:A:1300,invalid,,,,,[I-],
,,,IOD:A:1301,invalid,,,,,[I-],
,,,IOD:A:1302,invalid,,,,,[I-],
,,,IOD:A:1303,invalid,,,,,[I-],
,,,IOD:B:1297,invalid,,,,,[I-],
,,,IOD:B:1298,invalid,,,,,[I-],
,,,IOD:B:1299,invalid,,,,,[I-],
,,,IOD:B:1300,invalid,,,,,[I-],
,,,IOD:B:1301,invalid,,,,,[I-],
,,,IOD:B:1302,invalid,,,,,[I-],
,,,IOD:D:1308,invalid,,,,,[I-],
,,,IOD:D:1309,invalid,,,,,[I-],
,,,IOD:D:1310,invalid,,,,,[I-],
,,,IOD:E:1308,invalid,,,,,[I-],
,,,IOD:E:1310,invalid,,,,,[I-],
,,,K:D:1402,Part of Protein,,,,,[K+],
,,,K:E:1402,Part of Protein,,,,,[K+],
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,MG:D:1401,Part of Protein,,,,,[Mg+2],
,,,MG:E:1401,Part of Protein,,,,,[Mg+2],
,,2CNW,,,,,,,
,,,5GP:D:3001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:E:3001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:F:3001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP ALF:A:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:B:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:C:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:D:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:E:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:F:1001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,,,MG:D:1002,Part of Protein,,,,,[Mg+2],
,,,MG:E:1002,Part of Protein,,,,,[Mg+2],
,,,MG:F:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2V5E,,,,,,,
,,,EDO:A:1351,invalid,,,,,C(CO)O,
,,,EDO:A:1352,invalid,,,,,C(CO)O,
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:A:1354,invalid,,,,,C(CO)O,
,,,NAG:B:1135,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GU4 YYJ:C:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,5O4F,,,,,,,
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,invalid,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,8VE:B:305,valid,Ki,=,208,uM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,,8VE:A:302,valid,Ki,=,208,uM,CN1[C@H]2CN[C@@H]([C@H]2C(=N1)C(=O)O)C(=O)O,
,,6JMV,,,,,,,
,,,ACT:B:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:312,invalid,,,,,CC(=O)[O-],
,,,ACT:B:310,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,CL:B:313,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,NA:B:315,Part of Protein,,,,,[Na+],
,,,NA:B:314,invalid,,,,,[Na+],
,,,SYM:A:301,valid,,,,,C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O,
,,,SYM:B:302,valid,,,,,C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O,
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:307,Part of Protein,,,,,[Zn+2],
,,4MH5,,,,,,,
,,,K:A:302,Part of Protein,,,,,[K+],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GGL:A:301,valid,Ki,=,7.43,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,3U92,,,,,,,
,,,CL:A:262,invalid,,,,,[Cl-],
,,,CL:B:264,invalid,,,,,[Cl-],
,,,KAI:A:258,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:258,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:A:259,Part of Protein,,,,,[Zn+2],
,,,ZN:A:260,Part of Protein,,,,,[Zn+2],
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:259,Part of Protein,,,,,[Zn+2],
,,,ZN:B:260,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:263,Part of Protein,,,,,[Zn+2],
,,4E0W,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,K:A:304,Part of Protein,,,,,[K+],
,,,K:A:305,Part of Protein,,,,,[K+],
,,,KAI:A:301,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,4NWC,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,K:A:902,Part of Protein,,,,,[K+],
,,,K:A:901,Part of Protein,,,,,[K+],
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2QE:A:905,valid,Ki,=,1.74,uM,COC(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O,
,,4G8N,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,G8M:A:301,valid,Kd,=,63,nM,C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O,
,,,K:A:304,Part of Protein,,,,,[K+],
,,,K:A:305,Part of Protein,,,,,[K+],
,,6F28,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,CG8:B:305,valid,Ki,=,2.15,uM,CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,,CG8:A:302,valid,Ki,=,2.15,uM,CN1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6S38,,,,,,,
,,,QIC:B:601,valid,Kd,=,3.7,uM,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,
,,,QIC:A:601,valid,Kd,=,3.7,uM,C1[C@H](C([C@@H](CC1(C(=O)O)O)O)O)O,
,,6S37,,,,,,,
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,SAL:A:601,valid,Kd,=,24,uM,c1ccc(c(c1)C(=O)O)O,
,,6S3B,,,,,,,
,,,BEZ:A:601,valid,Kd,=,90.8,uM,c1ccc(cc1)C(=O)O,
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,6S33,,,,,,,
,,,DHB:B:601,valid,Kd,=,6.4,uM,c1cc(c(cc1C(=O)O)O)O,
,,,DHB:B:602,valid,Kd,=,6.4,uM,c1cc(c(cc1C(=O)O)O)O,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4P6X,,,,,,,
,,,HCY:A:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:C:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:G:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:I:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:K:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:E:900,valid,Ki,=,91,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,3K22,,,,,,,
,,,JZR:A:1731,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:B:1731,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZR:B:778,invalid,,,,,CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JZS:A:1,valid,,,,,Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O,
,,,JZS:B:1,valid,,,,,Cc1cc(c2cnn(c2c1)c3cccc(c3)C(=O)N[C@H](C)C(=O)N)NCC(C(F)(F)F)(C(F)(F)F)O,
,,3MNO,,,,,,,
,,,DEX:A:784,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:786,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:785,invalid,,,,,C(#N)[S-],
,,,SCN:A:787,invalid,,,,,C(#N)[S-],
,,3E7C,,,,,,,
,,,866:A:1,valid,,,,,CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl,
,,,866:B:2,valid,,,,,CCN(C[C@@](CNC(=O)c1cnn(c1N)c2ccc(cc2)F)(C(F)(F)F)O)C(=O)c3c(cccc3Cl)Cl,
,,,GOL:A:778,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:778,invalid,,,,,C(C(CO)O)O,
,,3MNP,,,,,,,
,,,DEX:A:784,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:786,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:785,invalid,,,,,C(#N)[S-],
,,,SCN:A:787,invalid,,,,,C(#N)[S-],
,,3MNE,,,,,,,
,,,DEX:A:784,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:785,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3R42,,,,,,,
,,,GLN VAL PRO SER ASP PRO TYR ASN TYR:B:445,valid,Kd,=,84,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C=O)CC(=O)N)Cc3ccc(O)cc3)CCC2)CC(=O)[O-])CO)CCC1)C(C)C)C([NH3+])CCC(=O)N,
,Family. Representative Entry is ,6LI0,,,,,,,
,,,PEG:A:1410,invalid,,,,,C(COCCO)O,
,,,PEG:A:1422,invalid,,,,,C(COCCO)O,
,,,PEG:A:1423,invalid,,,,,C(COCCO)O,
,,,PEG:A:1424,invalid,,,,,C(COCCO)O,
,,,PEG:A:1428,invalid,,,,,C(COCCO)O,
,,,PEG:A:1427,invalid,,,,,C(COCCO)O,
,,,PEG:A:1426,invalid,,,,,C(COCCO)O,
,,,PEG:A:1425,invalid,,,,,C(COCCO)O,
,,,OLC:A:1420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,FLC:A:1414,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,EN6:A:1401,valid,,,,,Cc1c(c(n(n1)c2cccc3c2sc(c3)Cc4cccc(c4)C(F)(F)F)CO)C(=O)NCCO,
,,,FMN:A:1402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3OEN,,,,,,,
,,,GLU:A:1001,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,3OEM,,,,,,,
,,,OEM:A:287,valid,,,,,CN[C@H](CC(=O)O)C(=O)O,
,,3OEK,,,,,,,
,,,ASP:A:1001,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,4JWY,,,,,,,
,,,1N4:A:301,valid,,,,,CCCc1cnn(c1[C@H](C(=O)O)N)O,
,,3OEL,,,,,,,
,,,DGL:A:287,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,Family. Representative Entry is ,2Z81,,,,,,,
,,,NAG:A:821,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN:C:1,Part of Protein,,,,,,
,,,PCJ:A:1,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC,
,,3A7C,,,,,,,
,,,LU:A:1001,invalid,,,,,[Lu+3],
,,,NAG:A:821,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:C:1,Part of Protein,,,,,,
,,,PDK:A:581,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCCCCCCCC,
,Family. Representative Entry is ,6LIT,,,,,,,
,,,2OH:B:501,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,2OH:A:501,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,Family. Representative Entry is ,1N4K,,,,,,,
,,,I3P:A:1000,valid,Kd,=,0.09,nM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1G3Q,,,,,,,
,,,ADP:A:238,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:239,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5L3R,,,,,,,
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GCP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:D:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1G4U,,,,,,,
,,,AF3:R:1002,valid,,,,,F[Al](F)F,
,,,GDP:R:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:R:1001,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WIU,,,,,,,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:1223,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1217,invalid,,,,,C(COCCO)O,
,,,PEG:A:1218,invalid,,,,,C(COCCO)O,
,,,PEG:A:1222,invalid,,,,,C(COCCO)O,
,,,PEG:A:1219,invalid,,,,,C(COCCO)O,
,,,PEG:A:1215,invalid,,,,,C(COCCO)O,
,,,PEG:A:1216,invalid,,,,,C(COCCO)O,
,,,PEG:A:1220,invalid,,,,,C(COCCO)O,
,,,PEG:A:1221,invalid,,,,,C(COCCO)O,
,,,PEG:A:1214,invalid,,,,,C(COCCO)O,
,,,AQD:A:1201,valid,,,,,C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl,
,,5WIV,,,,,,,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PO4:A:1203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:1217,invalid,,,,,C(COCCO)O,
,,,PEG:A:1222,invalid,,,,,C(COCCO)O,
,,,PEG:A:1218,invalid,,,,,C(COCCO)O,
,,,PEG:A:1219,invalid,,,,,C(COCCO)O,
,,,PEG:A:1215,invalid,,,,,C(COCCO)O,
,,,PEG:A:1216,invalid,,,,,C(COCCO)O,
,,,PEG:A:1223,invalid,,,,,C(COCCO)O,
,,,PEG:A:1220,invalid,,,,,C(COCCO)O,
,,,PEG:A:1221,invalid,,,,,C(COCCO)O,
,,,NA:A:1224,Part of Protein,,,,,[Na+],
,,,AQD:A:1201,valid,,,,,C[C@@H]1[C@@H](CCN1Cc2ccccc2)NC(=O)c3cc(c(cc3OC)NC)Cl,
,Family. Representative Entry is ,5AVF,,,,,,,
,,,TAU:A:501,valid,Kd,=,3.2,uM,C(CS(=O)(=O)O)N,
,,,TAU:B:501,valid,Kd,=,3.2,uM,C(CS(=O)(=O)O)N,
,,5AVE,,,,,,,
,,,SER:A:501,valid,Kd,=,3.6,uM,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2OI9,,,,,,,
,,,GLN LEU SER PRO PHE PRO PHE ASP LEU:Q:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])Cc3ccccc3)CCC2)Cc2ccccc2)CCC1)CO)CC(C)C)C([NH3+])CCC(=O)N,
,,2E7L,,,,,,,
,,,GLN LEU SER PRO PHE PRO PHE ASP LEU:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])Cc3ccccc3)CCC2)Cc2ccccc2)CCC1)CO)CC(C)C)C([NH3+])CCC(=O)N,
,,,GLN LEU SER PRO PHE PRO PHE ASP LEU:Q:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])Cc3ccccc3)CCC2)Cc2ccccc2)CCC1)CO)CC(C)C)C([NH3+])CCC(=O)N,
,Family. Representative Entry is ,4JWX,,,,,,,
,,,1N4:A:301,valid,,,,,CCCc1cnn(c1[C@H](C(=O)O)N)O,
,,2A5S,,,,,,,
,,,GLU:A:1001,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1J6X,,,,,,,
,,,MET:A:601,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:161,Part of Protein,,,,,[Zn+2],
,,,ZN:B:161,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1UPR,,,,,,,
,,,4IP:A:2154,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1N1I,,,,,,,
,,,HIS:C:501,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,IMD:B:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,5WBF,,,,,,,
,,,LAC:C:302,valid,Kd,=,155,uM,C[C@H](C(=O)O)O,
,,,LAC:B:301,valid,Kd,=,155,uM,C[C@H](C(=O)O)O,
,,,LAC:A:301,valid,Kd,=,155,uM,C[C@H](C(=O)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6OFR,,,,,,,
,,,BOG:A:805,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:804,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:801,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:802,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:806,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:803,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:807,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MG:A:808,Part of Protein,,,,,[Mg+2],
,,,MG:A:809,Part of Protein,,,,,[Mg+2],
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3FUR,,,,,,,
,,,CL:A:478,invalid,,,,,[Cl-],
,,,Z12:A:1,valid,Ki,=,10,nM,c1ccc2c(c1)cc(cn2)Oc3c(cc(cc3Cl)NS(=O)(=O)c4ccc(cc4Cl)Cl)Cl,
,,5GTP,,,,,,,
,,,MYR:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,3LMP,,,,,,,
,,,CEK:A:23,valid,Ki,=,14,nM,CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cccc5c4cccc5)OC)O)C)O,
,,5GTN,,,,,,,
,,,Q35:A:501,valid,,,,,CC[C@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC,
,,3VN2,,,,,,,
,,,TLS:A:501,valid,,,,,CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5nc6ccccc6n5C)C,
,,5GTO,,,,,,,
,,,MYR:A:502,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,T35:A:501,valid,,,,,CC[C@@H](c1cc(no1)c2ccc(cc2)OC(C)(C)C(=O)O)OC(=O)N(Cc3ccccc3)C(=O)Nc4cc(cc(c4)OC)OC,
,,3V9Y,,,,,,,
,,,24L:A:501,valid,,,,,CC(=O)C1=C(C=C2[C@@](C1=O)(c3c(cc(c(c3O2)C(=O)NCc4cc(cc5c4cccc5)CCCC(=O)O)OC)O)C)O,
,,4F9M,,,,,,,
,,,FCM:A:501,valid,,,,,CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F,
,,3CWD,,,,,,,
,,,LNA:A:1,valid,,,,,CCCCCC=C/C/C(=CCCCCCCCC(=O)O)/[N+](=O)[O-],
,,,LNA:B:1,valid,,,,,CCCCCC=C/C/C(=CCCCCCCCC(=O)O)/[N+](=O)[O-],
,,,LNB:A:478,valid,,,,,CCCCCC=C(/CC=C/CCCCCCCC(=O)O)[N+](=O)[O-],
,,,LNB:B:478,valid,,,,,CCCCCC=C(/CC=C/CCCCCCCC(=O)O)[N+](=O)[O-],
,,2Q59,,,,,,,
,,,240:A:5001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O,
,,,240:B:7001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)OC)OC(F)(F)F)Cc4ccccc4O[C@@H](C)C(=O)O,
,,1ZGY,,,,,,,
,,,BRL:A:503,valid,ic50,=,0.5,uM,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,3FEJ,,,,,,,
,,,CTM:A:1,valid,ic50,=,0.74,uM,CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O,
,,3CS8,,,,,,,
,,,BRL:A:503,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6PWS,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,MMA:A:303,valid,Ki,=,1.6,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,6PWR,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,MAN NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,4REF,,,,,,,
,,,3N0:A:302,valid,,,,,CCCCCC(=O)c1cc(c(c(c1)O)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,4WHG,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,3NB:A:302,valid,,,,,CCCCCCCC(=O)c1cc(c(c(c1)O)O)O,
,,4RE8,,,,,,,
,,,3MJ:A:302,valid,,,,,CCCCCCCCCCCC(=O)c1cc(c(c(c1)O)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4MGA,,,,,,,
,,,27L:A:601,valid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)O,
,,,27L:B:601,valid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)O,
,Family. Representative Entry is ,1OXQ,,,,,,,
,,,ALA VAL PRO ILE ALA GLN LYS SER GLU:F:1,valid,Ki,=,0.5,uM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,P33:D:1300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,,1OXN,,,,,,,
,,,ALA GLU ALA VAL PRO TRP LYS SER GLU:F:1,valid,Ki,=,2.1,uM,O=C(NC(C(=O)NC(C=O)C(C)C)C)C(NC(=O)C([NH3+])C)CCC(=O)[O-],
,,,P33:D:1300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1005,Part of Protein,,,,,[Zn+2],
,,3F7G,,,,,,,
,,,389:E:1,valid,,,,,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(c2ccccc2)c3ccccc3)N,
,,,P33:D:300,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1TJY,,,,,,,
,,,PAV:A:400,valid,,,,,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,Family. Representative Entry is ,1BTN,,,,,,,
,,,I3P:A:107,valid,Kd,=,40,uM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1JYQ,,,,,,,
,,,MAZ PTR PTM ASN:H:200,valid,Kd,=,2,nM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)OCc2cc(N)ccc2)Cc2ccc(OP(=O)([O-])[O-])cc2)(C(=O)NC(C(=O)[O-])CC(=O)N)C)cc1)([O-])[O-],
,,,MAZ PTR PTM ASN:L:200,valid,Kd,=,2,nM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)OCc2cc(N)ccc2)Cc2ccc(OP(=O)([O-])[O-])cc2)(C(=O)NC(C(=O)[O-])CC(=O)N)C)cc1)([O-])[O-],
,,3MXY,,,,,,,
,,,GLN ASN GLY PTR VAL ASN PRO THR TYR:L:681,valid,Kd,=,384.8,nM,P(=O)(Oc1ccc(CC(NC(=O)CN)C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])Cc3ccc(O)cc3)C(O)C)CCC2)CC(=O)N)C(C)C)cc1)([O-])[O-],
,,3WA4,,,,,,,
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,ACY:A:202,invalid,,,,,CC(=O)O,
,,,SER ASP PTR MET ASN MET THR PRO:B:190,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCSC)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)C,
,,3MXC,,,,,,,
,,,GLN ASN GLY PTR GLU ASN PRO THR TYR:L:681,valid,Kd,=,286.1,nM,P(=O)(Oc1ccc(CC(NC(=O)CN)C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)[O-])C[CH2-])C(O)C)CCC2)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,3N7Y,,,,,,,
,,,PTR VAL ASN VAL 011:D:1,valid,Ka,=,10000000,M^-1,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCCCCCCC(=O)N2)cc1)([O-])[O-],
,,,PTR VAL ASN VAL 011:E:1,valid,Ka,=,10000000,M^-1,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCCCCCCC(=O)N2)cc1)([O-])[O-],
,,,PTR VAL ASN VAL 011:F:1,valid,Ka,=,10000000,M^-1,P(=O)(Oc1ccc(CC2C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NCCCCCCC(=O)N2)cc1)([O-])[O-],
,,2AOB,,,,,,,
,,,S1S:A:1201,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:A:1401,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:A:1501,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:A:1601,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:A:1701,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:B:1301,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:C:2201,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:C:2401,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:C:2501,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:C:2601,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:D:2301,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:D:2701,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,1JYR,,,,,,,
,,,ALA PRO SER PTR VAL ASN VAL GLN ASN:L:1000,valid,Kd,=,18,nM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])C)CCC2)CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)N)CCC(=O)N)C(C)C)CC(=O)N)C(C)C)cc1)([O-])[O-],
,,1ZFP,,,,,,,
,,,BE2 GLU PTR ILE ASN GLN NH2:I:1,valid,ic50,=,26,nM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)c2c(N)cccc2)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCC(=O)N)CC(=O)N)C(CC)C)cc1)([O-])[O-],
,,,ZN:E:1,Part of Protein,,,,,[Zn+2],
,,2AOA,,,,,,,
,,,P33:B:501,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,S1S:A:201,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:A:401,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,,S1S:B:301,valid,,,,,c1ccc2c(c1)cccc2C[C@@H]3CC=C[C@@H]([C@@H](C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O,
,,1TZE,,,,,,,
,,,LYS PRO PHE PTR VAL ASN VAL NH2:I:1,valid,ic50,=,0.148,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCCC[NH3+])CCC2)Cc2ccccc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(C)C)CC(=O)N)C(C)C)cc1)([O-])[O-],
,Family. Representative Entry is ,5OUH,,,,,,,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,,DMS:E:303,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,L0B:C:305,invalid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:304,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:306,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:D:303,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:E:304,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,5AFH,,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,L0B:E:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:D:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:B:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5AFK,,,,,,,
,,,5VU:A:1207,valid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,5VU:E:1207,invalid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,5VU:E:1208,valid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,5VU:C:1208,valid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,5VU:D:1206,valid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,5VU:B:1207,valid,ic50,=,132,uM,c1cc(c(cc1F)F)NC(=O)N2CCCC2,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,L0B:D:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:E:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:B:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GOL:C:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1207,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1206,invalid,,,,,C(C(CO)O)O,
,,5AFN,,,,,,,
,,,NAG:D:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OJD:D:1215,valid,ic50,=,34,uM,c1ccc(cc1)CC[C@@H]2CC(=O)NC2,
,,,OJD:E:1215,valid,ic50,=,34,uM,c1ccc(cc1)CC[C@@H]2CC(=O)NC2,
,,,OJD:C:1215,valid,ic50,=,34,uM,c1ccc(cc1)CC[C@@H]2CC(=O)NC2,
,,,OJD:A:1215,valid,ic50,=,34,uM,c1ccc(cc1)CC[C@@H]2CC(=O)NC2,
,,,OJD:B:1217,valid,ic50,=,34,uM,c1ccc(cc1)CC[C@@H]2CC(=O)NC2,
,,,GOL:D:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1208,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1207,invalid,,,,,C(C(CO)O)O,
,,,L0B:D:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:E:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:B:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,BMA:A:303,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,MAN:A:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,5AFJ,,,,,,,
,,,NAG:D:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:E:1208,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1208,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1208,invalid,,,,,C(C(CO)O)O,
,,,42R:A:1206,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:D:1205,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:B:1206,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:E:1206,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:E:1205,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:B:1205,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:C:1206,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:D:1206,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:A:1205,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,42R:C:1205,valid,ic50,=,42,uM,C[C@@]1(CN(C(=CC1=O)c2ccc(cc2)Br)C)O,
,,,L0B:E:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:D:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:B:1207,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,MAN:D:304,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,BMA:D:303,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,5AFL,,,,,,,
,,,GOL:D:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1206,invalid,,,,,C(C(CO)O)O,
,,,TLA:B:1205,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,L0B:C:1206,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:D:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:E:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:A:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1205,valid,,,,,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,FHV:E:1207,valid,ic50,=,398,uM,Cc1cccc(c1)NC(=O)N2CCCC2,
,,,NAG NAG BMA BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,7A78,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,PLM:A:601,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1US5,,,,,,,
,,,EDO:A:1314,invalid,,,,,C(CO)O,
,,,GLU:A:1315,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1US4,,,,,,,
,,,EDO:A:1314,invalid,,,,,C(CO)O,
,,,GLU:A:1313,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2RC8,,,,,,,
,,,CL:A:295,invalid,,,,,[Cl-],
,,,CL:A:296,invalid,,,,,[Cl-],
,,,CL:B:295,invalid,,,,,[Cl-],
,,,DSN:A:901,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:A:902,valid,,,,,C([C@H](C(=O)O)N)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:296,invalid,,,,,C(C(CO)O)O,
,,2RC9,,,,,,,
,,,1AC:A:1001,valid,,,,,C1CC1(C(=O)O)N,
,,,1AC:B:1002,valid,,,,,C1CC1(C(=O)O)N,
,,2RC7,,,,,,,
,,,BR:A:295,invalid,,,,,[Br-],
,,,CL:A:296,invalid,,,,,[Cl-],
,,,CL:A:297,invalid,,,,,[Cl-],
,,,CL:A:298,invalid,,,,,[Cl-],
,,,CL:A:299,invalid,,,,,[Cl-],
,,,CL:B:295,invalid,,,,,[Cl-],
,,,CL:B:296,invalid,,,,,[Cl-],
,,,CL:B:297,invalid,,,,,[Cl-],
,,,GLY:B:901,valid,,,,,C(C(=O)O)N,
,,,GLY:B:902,valid,,,,,C(C(=O)O)N,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1RDT,,,,,,,
,,,570:D:478,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)Nc4ccccc4C(=O)c5ccccc5,
,,,L79:A:463,valid,Ki,=,6,nM,CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)C=CC(=O)O)(C)C)C,
,Family. Representative Entry is ,6E7R,,,,,,,
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:D:406,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,HYS:D:402,valid,,,,,CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O,
,,,HYS:B:503,valid,,,,,CS(=O)(=O)Nc1ccc(cc1)OC[C@H](CNCCc2ccc(c(c2)Cl)Cl)O,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,,NA:A:508,Part of Protein,,,,,[Na+],
,,6E7T,,,,,,,
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:503,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,HYY:B:506,valid,,,,,CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O,
,,,HYY:D:507,valid,,,,,CCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O,
,,6E7U,,,,,,,
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:D:406,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,HX7:B:503,valid,,,,,CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O,
,,,HX7:D:402,valid,,,,,CCCCN(CCc1ccc(c(c1)Cl)Cl)C[C@@H](COc2ccc(cc2)NS(=O)(=O)C)O,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG:D:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2HRL,,,,,,,
,,,NAG:A:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CEQ BGC NGA GAL SIA SIA:A:206,valid,,,,,[Si](CCOC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(OC3C(NC(=O)C)CC(O)C(CO)O3)C(CO)O2)C(CO)O1)(C)(C)C,
,,1O7S,,,,,,,
,,,CYS:A:1147,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,NAG:A:1145,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1146,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,2G5R,,,,,,,
,,,NAG:A:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NXD:A:145,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)C(=O)N)O)O)(C(=O)O)OC)O,
,,2DF3,,,,,,,
,,,NAG:A:301,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA SIA:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,Family. Representative Entry is ,5A8E,,,,,,,
,,,XTK:A:501,valid,Kd,=,0.042,nM,Cc1ccc(c2c1[nH]c(c2)C#N)OC[C@H](CNC(C)(C)C)O,
,,,MHA:A:801,invalid,,,,,C(C(=O)N)N(CC(=O)O)CC(=O)O,
,,,OLC:A:2003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2001,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,4BVN,,,,,,,
,,,OLC:A:2002,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2001,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2007,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2006,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,P32:A:1361,valid,,,,,CC(C)(C)NC[C@@H](COc1cccc2c1CC(=N2)C#N)O,
,,,MHA:A:1362,invalid,,,,,C(C(=O)N)N(CC(=O)O)CC(=O)O,
,,,NA:A:1360,Part of Protein,,,,,[Na+],
,,,NA:A:1359,Part of Protein,,,,,[Na+],
,,4AMJ,,,,,,,
,,,2CV:A:1361,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1362,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1363,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1364,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1365,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1366,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1367,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:1368,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:1359,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:1362,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:1363,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:1364,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,CVD:A:1359,valid,,,,,COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O,
,,,CVD:B:1360,valid,,,,,COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O,
,,,NA:A:1360,Part of Protein,,,,,[Na+],
,,,NA:B:1361,Part of Protein,,,,,[Na+],
,,2Y00,,,,,,,
,,,2CV:A:501,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:502,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:503,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:504,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:A:505,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:501,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:502,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:503,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:504,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,2CV:B:505,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,NA:A:1359,Part of Protein,,,,,[Na+],
,,,Y00:A:601,valid,,,,,C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O,
,,,Y00:B:601,valid,,,,,C[C@H](CCc1ccc(cc1)O)NCCc2ccc(c(c2)O)O,
,,,Y01:A:401,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,Y01:A:402,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,Y01:B:401,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,Y01:B:402,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,Family. Representative Entry is ,1M6P,,,,,,,
,,,M6P:A:200,valid,Kd,=,8,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:200,valid,Kd,=,8,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MN:A:199,Part of Protein,,,,,[Mn+2],
,,,MN:B:199,Part of Protein,,,,,[Mn+2],
,,1C39,,,,,,,
,,,MN:A:199,Part of Protein,,,,,[Mn+2],
,,,MN:B:199,Part of Protein,,,,,[Mn+2],
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MAN MAN M6P:F:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)([O-])[O-],
,,,MAN MAN M6P:E:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)([O-])[O-],
,,2RLB,,,,,,,
,,,M6D:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6D:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAG:A:3001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:4001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2RL7,,,,,,,
,,,ACT:B:318,invalid,,,,,CC(=O)[O-],
,,,ACT:B:319,invalid,,,,,CC(=O)[O-],
,,,ACT:C:155,invalid,,,,,CC(=O)[O-],
,,,ACT:C:156,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,CAC:B:317,invalid,,,,,C[As](=O)(C)[O-],
,,,GOL:A:155,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:157,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3K41,,,,,,,
,,,M6D:A:500,valid,Kd,=,150,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6D:B:501,valid,Kd,=,150,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2RL8,,,,,,,
,,,M6D:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6D:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,NAG:A:3001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:4001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2RL9,,,,,,,
,,,MN:A:3000,Part of Protein,,,,,[Mn+2],
,,,MN:B:3001,Part of Protein,,,,,[Mn+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MAN MAN M6P:C:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)([O-])[O-],
,,,MAN MAN M6P:D:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)([O-])[O-],
,Family. Representative Entry is ,2RCA,,,,,,,
,,,GLY:A:901,valid,Kd,=,16.4,nM,C(C(=O)O)N,
,,,GLY:A:902,valid,Kd,=,16.4,nM,C(C(=O)O)N,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,2RCB,,,,,,,
,,,DSN:A:901,valid,,,,,C([C@H](C(=O)O)N)O,
,,,DSN:B:902,valid,,,,,C([C@H](C(=O)O)N)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2FH5,,,,,,,
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:270,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5II5,,,,,,,
,,,PGE:A:4204,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4202,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4205,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4203,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5II4,,,,,,,
,,,PGE:A:4204,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4202,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4205,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4203,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:4206,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4S15,,,,,,,
,,,4D8:A:601,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,
,,,4D8:B:601,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)O)O)C)C,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1QSC,,,,,,,
,,,ACE TYR PRO ILE GLN GLU THR:D:248,valid,Kd,=,210,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)[O-])CCC(=O)N)C(NC(=O)C1N(C(=O)C(NC(=O)C)Cc2ccc(O)cc2)CCC1)C(CC)C,
,,,ACE TYR PRO ILE GLN GLU THR:E:248,valid,Kd,=,210,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)[O-])CCC(=O)N)C(NC(=O)C1N(C(=O)C(NC(=O)C)Cc2ccc(O)cc2)CCC1)C(CC)C,
,,,ACE TYR PRO ILE GLN GLU THR:F:248,valid,Kd,=,210,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)[O-])CCC(=O)N)C(NC(=O)C1N(C(=O)C(NC(=O)C)Cc2ccc(O)cc2)CCC1)C(CC)C,
,,1CA9,,,,,,,
,,,GLY GLN VAL PRO PHE SER LYS GLU GLU CYS:G:422,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(C)C)CCC1)Cc1ccccc1)CO)CCCC[NH3+])CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-],
,,,GLY GLN VAL PRO PHE SER LYS GLU GLU CYS:H:419,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)C(C)C)CCC1)Cc1ccccc1)CO)CCCC[NH3+])CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,6NIG,,,,,,,
,,,NAG NAG:A:606,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:803,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:802,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,KQD:C:801,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1,
,,,KQD:A:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1,
,,,KQD:D:601,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1,
,,,KQD:B:801,valid,,,,,c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@@H]1c1ccccc1,
,Family. Representative Entry is ,5OLZ,,,,,,,
,,,NA:A:1234,Part of Protein,,,,,[Na+],
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1232,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1202,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1230,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1228,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1229,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,TAR:A:1231,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,PGE:A:1233,invalid,,,,,C(COCCOCCO)O,
,,,T4E:A:1201,valid,Kd,=,250,pM,c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O,
,,5IU7,,,,,,,
,,,OLB:A:2429,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2425,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2430,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2427,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2428,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2424,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,6DY:A:2401,valid,Ki,=,1.1,nM,c1ccc(cc1)C2CCN(CC2)CCNc3nc(n4c(n3)nc(n4)c5ccco5)N,
,,,OLC:A:2431,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,6ZDV,,,,,,,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,QGW:A:1201,valid,,,,,CCCc1cc2c(cc1OC(=O)C)OC(=C(C2=O)c3nc(cs3)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLB:A:1206,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,5K2C,,,,,,,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PEG:A:1226,invalid,,,,,C(COCCO)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,ZMA:A:1201,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,4EIY,,,,,,,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NA:A:2402,Part of Protein,,,,,[Na+],
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLC:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2424,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2425,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2427,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2428,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,PEG:A:2429,invalid,,,,,C(COCCO)O,
,,,PEG:A:2430,invalid,,,,,C(COCCO)O,
,,,ZMA:A:2401,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,6JZH,,,,,,,
,,,OLA:A:2019,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2008,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2010,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2020,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2017,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2013,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2012,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2006,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2007,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2016,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2018,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2014,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2011,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2009,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2015,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2021,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:2022,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2024,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2023,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NA:A:2001,Part of Protein,,,,,[Na+],
,,,ZMA:A:2002,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,6LPJ,,,,,,,
,,,MYS:A:2424,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2417,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2409,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2407,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2426,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2414,invalid,,,,,CCCCCCCCCCCCCCC,
,,,TRD:A:2425,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2420,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2422,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2427,invalid,,,,,CCCCCCCCCCCCC,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OCT:A:2413,invalid,,,,,CCCCCCCC,
,,,OCT:A:2412,invalid,,,,,CCCCCCCC,
,,,OCT:A:2421,invalid,,,,,CCCCCCCC,
,,,8K6:A:2410,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2419,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2418,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,HEX:A:2408,invalid,,,,,CCCCCC,
,,,ER0:A:2416,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,ER0:A:2423,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,NA:A:2402,Part of Protein,,,,,[Na+],
,,,D10:A:2411,invalid,,,,,CCCCCCCCCC,
,,,UND:A:2415,invalid,,,,,CCCCCCCCCCC,
,,,ZMA:A:2401,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,D12:A:2406,invalid,,,,,CCCCCCCCCCCC,
,,5K2B,,,,,,,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,ZMA:A:1201,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,OLB:A:1206,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,5IUA,,,,,,,
,,,OLB:A:2429,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2423,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2427,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2428,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2424,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2425,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2430,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,6DX:A:2401,valid,Ki,=,1.5,nM,c1ccc(cc1)N2CCN(CC2)CCCNc3nc(n4c(n3)nc(n4)c5ccco5)N,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,6LPK,,,,,,,
,,,MYS:A:2424,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2417,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2409,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2407,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2426,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2414,invalid,,,,,CCCCCCCCCCCCCCC,
,,,TRD:A:2425,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2420,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2422,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2427,invalid,,,,,CCCCCCCCCCCCC,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OCT:A:2413,invalid,,,,,CCCCCCCC,
,,,OCT:A:2412,invalid,,,,,CCCCCCCC,
,,,OCT:A:2421,invalid,,,,,CCCCCCCC,
,,,8K6:A:2410,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2419,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2418,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,HEX:A:2408,invalid,,,,,CCCCCC,
,,,ER0:A:2416,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,ER0:A:2423,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,NA:A:2402,Part of Protein,,,,,[Na+],
,,,D10:A:2411,invalid,,,,,CCCCCCCCCC,
,,,UND:A:2415,invalid,,,,,CCCCCCCCCCC,
,,,ZMA:A:2401,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,D12:A:2406,invalid,,,,,CCCCCCCCCCCC,
,,5OLV,,,,,,,
,,,OLC:A:1229,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1228,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1206,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC OLC:A:1220,invalid,,,,,,
,,,9Y2:A:1201,valid,Kd,=,320,nM,CC(C)(C)CC(=O)Nc1c(cc(cc1F)C(=O)Nc2nccs2)F,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,5IU4,,,,,,,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2425,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2424,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,ZMA:A:2401,valid,Ki,=,0.53,nM,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,OLC:A:2430,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2429,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLB:A:2428,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2427,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,6PS7,,,,,,,
,,,OLA:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1202,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,ZMA:A:1201,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,NA:A:1228,Part of Protein,,,,,[Na+],
,,,CLR:A:1212,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1213,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1211,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLB:A:1214,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,6LPL,,,,,,,
,,,MYS:A:2424,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2417,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2409,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2407,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2426,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:2414,invalid,,,,,CCCCCCCCCCCCCCC,
,,,TRD:A:2425,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2420,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2422,invalid,,,,,CCCCCCCCCCCCC,
,,,TRD:A:2427,invalid,,,,,CCCCCCCCCCCCC,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OCT:A:2413,invalid,,,,,CCCCCCCC,
,,,OCT:A:2412,invalid,,,,,CCCCCCCC,
,,,OCT:A:2421,invalid,,,,,CCCCCCCC,
,,,8K6:A:2410,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2419,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,8K6:A:2418,invalid,,,,,CCCCCCCCCCCCCCCCCC,
,,,HEX:A:2408,invalid,,,,,CCCCCC,
,,,ER0:A:2416,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,ER0:A:2423,invalid,,,,,C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCCC(=O)OC[C@H]([C@H](CO)O)O,
,,,NA:A:2402,Part of Protein,,,,,[Na+],
,,,D10:A:2411,invalid,,,,,CCCCCCCCCC,
,,,UND:A:2415,invalid,,,,,CCCCCCCCCCC,
,,,ZMA:A:2401,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,D12:A:2406,invalid,,,,,CCCCCCCCCCCC,
,,5OM1,,,,,,,
,,,CL:A:1233,invalid,,,,,[Cl-],
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1206,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1207,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1230,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1228,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1229,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1231,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1232,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,T4E:A:1201,valid,Kd,=,250,pM,c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O,
,,5IUB,,,,,,,
,,,OLB:A:2423,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2427,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2424,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2425,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2422,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2421,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLA:A:2405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:2429,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2428,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,6DV:A:2401,valid,Ki,=,0.35,nM,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCN4CCN(CC4)c5ccc(cc5F)F,
,,6ZDR,,,,,,,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,QGE:A:1201,valid,,,,,CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,5K2D,,,,,,,
,,,OLC:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,ZMA:A:1201,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,OLB:A:1210,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:1206,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,PEG:A:1225,invalid,,,,,C(COCCO)O,
,,5VRA,,,,,,,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,NA:A:2402,Part of Protein,,,,,[Na+],
,,,OLB:A:2422,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,ZMA:A:2401,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,5OM4,,,,,,,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1206,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:1230,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1233,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1228,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1229,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1231,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1225,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1232,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,T4E:A:1201,valid,Kd,=,250,pM,c1ccc(cc1)c2c(nnc(n2)N)c3ccc(c(c3)Cl)O,
,,5IU8,,,,,,,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2425,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2424,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:2429,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2428,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2431,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2430,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:2406,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,6DZ:A:2401,valid,Ki,=,18,nM,CN1CCN(CC1)CCNc2nc(n3c(n2)nc(n3)c4ccco4)N,
,,,HTO:A:2402,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,OLB:A:2427,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:2426,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,5MZP,,,,,,,
,,,OLC:A:2426,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2424,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2429,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2428,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2427,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2430,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2425,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2405,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,,CFF:A:2401,valid,,,,,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,TAR:A:2431,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,5MZJ,,,,,,,
,,,OLA:A:2422,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2426,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2420,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2415,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2416,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2419,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2417,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2425,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2418,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2424,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2421,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2423,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:2429,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2428,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2427,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2432,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2431,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2430,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2433,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:2403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2402,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:2404,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NA:A:2400,Part of Protein,,,,,[Na+],
,,,TEP:A:2401,valid,,,,,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,5OLG,,,,,,,
,,,SCN:A:1224,invalid,,,,,C(#N)[S-],
,,,SCN:A:1223,invalid,,,,,C(#N)[S-],
,,,SCN:A:1226,invalid,,,,,C(#N)[S-],
,,,SCN:A:1225,invalid,,,,,C(#N)[S-],
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1227,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1229,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1228,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CIT:A:1230,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1202,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NA:A:1231,Part of Protein,,,,,[Na+],
,,,ZMA:A:1201,valid,Kd,=,2.5,nM,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,5K2A,,,,,,,
,,,CLR:A:1205,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1204,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,CLR:A:1203,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:1214,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1226,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1213,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLA:A:1218,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1220,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1221,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1224,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1219,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,NA:A:1202,Part of Protein,,,,,[Na+],
,,,ZMA:A:1201,valid,,,,,c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O,
,,,PEG:A:1225,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1I4D,,,,,,,
,,,GDP:D:200,valid,Kd,=,3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1M7E,,,,,,,
,,,ASN GLY TYR GLU ASN PRO THR TYR LYS:D:501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)N)Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C)Cc1ccc(O)cc1)CCCC[NH3+],
,,,ASN GLY TYR GLU ASN PRO THR TYR LYS:E:501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)N)Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C)Cc1ccc(O)cc1)CCCC[NH3+],
,,,ASN GLY TYR GLU ASN PRO THR TYR LYS:F:501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)N)Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C)Cc1ccc(O)cc1)CCCC[NH3+],
,Family. Representative Entry is ,1SR7,,,,,,,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,MOF:A:301,valid,Kd,=,0.08,nM,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C,
,,,MOF:B:302,valid,Kd,=,0.08,nM,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)c5ccco5)C)O)Cl)C,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SQN,,,,,,,
,,,NDR:A:1001,valid,Kd,=,0.4,nM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,,NDR:B:2001,valid,Kd,=,0.4,nM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,3ZRB,,,,,,,
,,,GOL:A:1934,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1935,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1936,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1933,invalid,,,,,C(C(CO)O)O,
,,,OR8:A:1000,valid,,,,,Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C,
,,,ORC:B:1000,valid,,,,,Cc1c(c(on1)C)c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)C,
,,,SO4:A:1933,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4APU,,,,,,,
,,,A2K:B:1933,valid,,,,,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2C(=O)C5CC5)C=C)c6ccc(cc6)c7cccnc7,
,,,OR8:A:1933,valid,,,,,Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C,
,,,SO4:A:1934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HQ5,,,,,,,
,,,GKK:A:934,valid,ic50,=,16,nM,C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N,
,,,GKK:B:2,valid,ic50,=,16,nM,C[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N,
,,,GOL:A:935,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:934,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZUC,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T98:A:201,valid,ic50,=,1.7,nM,CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C,
,,,T98:B:202,valid,ic50,=,1.7,nM,CC1(c2cc(ccc2NC(=S)O1)c3ccc(n3C)C#N)C,
,,3ZR7,,,,,,,
,,,GOL:A:1933,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1935,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1936,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1937,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1938,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1933,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1934,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1935,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1936,invalid,,,,,C(C(CO)O)O,
,,,OR8:A:1000,valid,,,,,Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C,
,,,OR8:B:1000,valid,,,,,Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3c(nn(c3Cl)C)C,
,,,SO4:A:1934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3D90,,,,,,,
,,,NOG:A:1001,valid,,,,,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,,NOG:B:2001,valid,,,,,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,3ZRA,,,,,,,
,,,ORB:A:1000,valid,,,,,Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F,
,,,ORB:B:1000,valid,,,,,Cc1c(c(on1)C)S(=O)(=O)N[C@H](C)c2ccc(cc2)c3cc(cnc3Cl)F,
,,,SO4:A:1933,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3G8O,,,,,,,
,,,30X:A:1,valid,ic50,=,125,nM,C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N,
,,,30X:B:2,valid,ic50,=,125,nM,C[C@@H](C(=O)N(C)C)[N@@](CC(F)(F)F)c1ccc(c(c1)C(F)(F)F)C#N,
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KBA,,,,,,,
,,,SO4:A:934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WOW:A:1,valid,ic50,=,16,nM,Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C,
,,,WOW:B:2,valid,ic50,=,16,nM,Cc1ccccc1CN(c2ccc(c(c2)Cl)C#N)[C@H]3CC[N@@](C3)S(=O)(=O)C,
,,4A2J,,,,,,,
,,,AS0:A:1000,valid,,,,,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)C=NO,
,,,AS0:B:1000,valid,,,,,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)C=NO,
,,,SO4:A:1934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2W8Y,,,,,,,
,,,486:A:1000,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,,,EDO:B:1934,invalid,,,,,C(CO)O,
,,,NDR:B:1000,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,,SO4:A:1934,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1A28,,,,,,,
,,,STR:A:1,valid,Ki,=,5.1,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:2,valid,Ki,=,5.1,nM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,Family. Representative Entry is ,3FAL,,,,,,,
,,,LO2:B:1,valid,ic50,=,165,nM,CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,,LO2:D:1,valid,ic50,=,165,nM,CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,,REA:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,REA:C:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,3FC6,,,,,,,
,,,LX2:B:1,valid,,,,,c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5,
,,,LX2:D:1,valid,,,,,c1ccc(cc1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5,
,,,REA:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,REA:C:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,Family. Representative Entry is ,6K0T,,,,,,,
,,,CTU:C:501,valid,,,,,C/C(=C1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7,
,,,CTU:A:501,valid,,,,,C/C(=C1/c2ccc(cc2COc3c1ccc(c3)F)Cc4c(nc5n4cccc5Cl)C6CC6)/C7=NOC(=O)N7,
,Family. Representative Entry is ,1PBQ,,,,,,,
,,,DK1:A:1001,valid,Ki,=,0.54,uM,c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl,
,,,DK1:B:1002,valid,Ki,=,0.54,uM,c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl,
,,1Y20,,,,,,,
,,,1AC:A:1001,valid,Ki,=,4.8,uM,C1CC1(C(=O)O)N,
,,1PB7,,,,,,,
,,,GLY:A:901,valid,,,,,C(C(=O)O)N,
,,1Y1Z,,,,,,,
,,,192:A:293,valid,Ki,=,0.831,mM,C1CC(C1)(C(=O)O)N,
,,1PB8,,,,,,,
,,,DSN:A:901,valid,Ki,=,7.02,uM,C([C@H](C(=O)O)N)O,
,,1Y1M,,,,,,,
,,,AC5:A:1001,valid,Ki,=,15.3,mM,C1CCC(C1)(C(=O)O)N,
,,,AC5:B:1002,valid,Ki,=,15.3,mM,C1CCC(C1)(C(=O)O)N,
,,1PB9,,,,,,,
,,,4AX:A:901,valid,Ki,=,241,uM,C1[C@H](C(=O)NO1)N,
,Family. Representative Entry is ,5UFF,,,,,,,
,,,BGC GAL FUC:B:1,valid,Kd,=,57.1,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,3E6J,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,6BSX,,,,,,,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,GDP:A:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,ACT:C:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,E7S:A:204,valid,,,,,Cc1cc2c(cc1C)nc([nH]2)CO,
,,,E7S:C:204,valid,,,,,Cc1cc2c(cc1C)nc([nH]2)CO,
,,,E7S:D:204,valid,,,,,Cc1cc2c(cc1C)nc([nH]2)CO,
,,,E7S:B:204,valid,,,,,Cc1cc2c(cc1C)nc([nH]2)CO,
,,7BTD,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GNP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,7BTC,,,,,,,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4O25,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4O2R,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4O2L,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,TRS:B:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5YXH,,,,,,,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,1XTQ,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,3SEA,,,,,,,
,,,ACT:B:1,invalid,,,,,CC(=O)[O-],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:178,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1GT4,,,,,,,
,,,UNA:A:1160,valid,Kd,=,0.3,uM,CCCCCCCCCCC=O,
,,,UNA:B:1158,valid,Kd,=,0.3,uM,CCCCCCCCCCC=O,
,,1PBO,,,,,,,
,,,SES:A:160,valid,,,,,CCCCc1c([se]c(n1)N)CCC,
,,,SES:B:160,valid,,,,,CCCCc1c([se]c(n1)N)CCC,
,,1G85,,,,,,,
,,,3OL:A:1001,valid,Kd,=,3.3,uM,CCCCC[C@H](C=C)O,
,,,3OL:A:1002,valid,Kd,=,3.3,uM,CCCCC[C@H](C=C)O,
,,,3OL:B:1003,valid,Kd,=,3.3,uM,CCCCC[C@H](C=C)O,
,,,3OL:B:1004,valid,Kd,=,3.3,uM,CCCCC[C@H](C=C)O,
,,1GT1,,,,,,,
,,,3OM:B:1159,valid,Kd,=,1.2,uM,CCCCC[C@@H](C=C)O,
,,,ANC:A:1161,valid,Kd,=,1,uM,c1ccc2cc3c(cccc3N)cc2c1,
,,,ANC:B:1158,valid,Kd,=,1,uM,c1ccc2cc3c(cccc3N)cc2c1,
,,,PRZ:A:1160,valid,Kd,=,3.3,uM,CC(C)Cc1c(nccn1)OC,
,,2HLV,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,LIK:A:999,valid,,,,,CCCCC(=C)CCC(=C)CC(=O)O,
,,1GT3,,,,,,,
,,,3OM:A:1161,valid,Kd,=,1.2,uM,CCCCC[C@@H](C=C)O,
,,,3OM:B:1158,valid,Kd,=,1.2,uM,CCCCC[C@@H](C=C)O,
,,,DHM:A:1160,valid,Kd,=,0.35,uM,C[C@H](CCCC(C)(C)O)C=C,
,,,DHM:B:1159,valid,Kd,=,0.35,uM,C[C@H](CCCC(C)(C)O)C=C,
,,1GT5,,,,,,,
,,,BZQ:A:1160,valid,Kd,=,0.8,uM,c1ccc(cc1)C(=O)c2ccccc2,
,,,BZQ:B:1158,valid,Kd,=,0.8,uM,c1ccc(cc1)C(=O)c2ccccc2,
,,1HN2,,,,,,,
,,,3OL:B:3003,valid,Kd,=,3.3,uM,CCCCC[C@H](C=C)O,
,,,ANC:A:3001,valid,Kd,=,1,uM,c1ccc2cc3c(cccc3N)cc2c1,
,,,ANC:B:3002,valid,Kd,=,1,uM,c1ccc2cc3c(cccc3N)cc2c1,
,Family. Representative Entry is ,1RPJ,,,,,,,
,,,ALL:A:291,valid,Kd,=,0.33,uM,C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:289,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1FHX,,,,,,,
,,,4IP:A:1001,valid,Kd,=,0.027,uM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:1002,valid,Kd,=,0.027,uM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1BH2,,,,,,,
,,,GSP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:357,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1FWV,,,,,,,
,,,MAG SGA FUC:B:1,valid,Kd,=,0.19,mM,S(=O)(=O)(OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(CO)OC(O)C2NC(=O)C)OC(CO)C1O)[O-],
,,1DQO,,,,,,,
,,,ASG:A:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)O)O,
,,1FWU,,,,,,,
,,,MAG FUC SGA:B:1,valid,Kd,=,0.2,mM,S(=O)(=O)(OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(OC)OC2CO)OC(CO)C1O)[O-],
,Family. Representative Entry is ,3N7S,,,,,,,
,,,3N6:A:1,valid,Kd,<,20,nM,c1ccc2c(c1)CN(C(=O)N2)C3CCN(CC3)C(=O)N[C@H](Cc4cc(c(c(c4)Br)O)Br)C(=O)N[C@@H](CCCCN)C(=O)N5CCN(CC5)c6ccncc6,
,,,3N7:B:1,valid,,,,,Cc1cc(nc(n1)Nc2ccc3c(c2)cn[nH]3)Nc4cc([nH]n4)C5CC5,
,,,SO4:C:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5AUL,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,SER ASP PTR MET ASN MET THR PRO:B:190,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCSC)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)C,
,,1H9O,,,,,,,
,,,PTR VAL PRO MET LEU:B:1,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])Cc2ccc(OP(=O)([O-])[O-])cc2)C(C)C)CCC1)C(=O)NC(C(=O)[O-])CC(C)C)C,
,Family. Representative Entry is ,1FZQ,,,,,,,
,,,GDP:A:301,valid,Kd,=,24,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:A:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NH4:A:501,invalid,,,,,[NH4+],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1W9O,,,,,,,
,,,BEZ:A:1274,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,THR ASN GLU TYR TYR VAL:S:2,valid,Kd,=,0.74,mM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(C)C,
,,,THR ASN GLU TYR TYR VAL:T:2,valid,Kd,=,0.74,mM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(C)C,
,,1W9Q,,,,,,,
,,,BEZ:A:1274,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,THR ASN GLU PHE ALA PHE:S:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)C)Cc1ccccc1,
,,1OBZ,,,,,,,
,,,ACT:A:1274,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1275,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1273,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1274,invalid,,,,,CC(=O)[O-],
,,,GLU THR LEU GLU ASP SER VAL PHE:P:5,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CO)C(C)C)Cc1ccccc1,
,,1V1T,,,,,,,
,,,BEZ:A:1274,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,THR ASN GLU TYR LYS VAL:S:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1)CCCC[NH3+])C(C)C,
,,,THR ASN GLU TYR LYS VAL:T:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1)CCCC[NH3+])C(C)C,
,,1W9E,,,,,,,
,,,BEZ:A:1274,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,THR ASN GLU PHE TYR PHE:R:3,valid,Kd,=,1,mM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccccc1,
,,,THR ASN GLU PHE TYR PHE:S:2,valid,Kd,=,1,mM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccccc1,
,,,THR ASN GLU PHE TYR PHE:T:2,valid,Kd,=,1,mM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccccc1,
,Family. Representative Entry is ,1Y3A,,,,,,,
,,,GDP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:356,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:357,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:358,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3SP6,,,,,,,
,,,IL2:A:901,valid,,,,,CC#CC[C@@H](C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O,
,Family. Representative Entry is ,3KMZ,,,,,,,
,,,EQO:A:2,valid,,,,,CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C,
,,,EQO:B:1,valid,,,,,CC1(CC=C(c2c1ccc(c2)/C=C/c3ccc(cc3)C(=O)O)C#Cc4ccccc4)C,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:422,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:422,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3CH5,,,,,,,
,,,GDP:A:220,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,,SO4:A:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2GNK,,,,,,,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1NHZ,,,,,,,
,,,486:A:800,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,,,HEZ:A:901,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:902,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:903,invalid,,,,,C(CCCO)CCO,
,Family. Representative Entry is ,6B8O,,,,,,,
,,,SO4:F:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,EDO:F:205,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,IOD:B:203,invalid,,,,,[I-],
,,,IOD:C:202,invalid,,,,,[I-],
,,,IOD:E:202,invalid,,,,,[I-],
,,,IOD:A:203,invalid,,,,,[I-],
,,,IOD:B:202,invalid,,,,,[I-],
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:202,invalid,,,,,[I-],
,,,PSF:C:203,valid,,,,,CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC,
,,,PSF:B:204,valid,,,,,CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC,
,,,PSF:D:205,valid,,,,,CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC,
,Family. Representative Entry is ,5XPL,,,,,,,
,,,8C9:A:501,valid,ic50,=,20,nM,CCCC[C@@H](CCC(=O)c1ccc(cc1)O)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC/C3=CC=C4C[C@H](C(=C)[C@@H](C4)O)O)C,
,Family. Representative Entry is ,1OFU,,,,,,,
,,,GDP:A:1318,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1318,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1KAO,,,,,,,
,,,GDP:A:170,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:168,Part of Protein,,,,,[Mg+2],
,,,MG:A:169,Part of Protein,,,,,[Mg+2],
,,3RAP,,,,,,,
,,,GTP:R:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:S:181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:R:200,Part of Protein,,,,,[Mg+2],
,,,MG:S:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1GMN,,,,,,,
,,,EPE:A:306,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:301,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,IDS SGN IDS SGN IDS:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(OS(=O)(=O)[O-])C(O)CC(C(=O)[O-])O4)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(O)OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,3L0E,,,,,,,
,,,G58:A:1,valid,ic50,=,10,nM,Cn1cc(nc1)S(=O)(=O)[N@@](Cc2ccc(cc2)c3cccc(c3)S(=O)(=O)C)Cc4c(cccc4Cl)F,
,Family. Representative Entry is ,1LV0,,,,,,,
,,,GER:A:1000,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1J6W,,,,,,,
,,,MET:A:601,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:176,Part of Protein,,,,,[Zn+2],
,,,ZN:B:176,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4F2Q,,,,,,,
,,,QUS:A:301,valid,Ki,=,0.042,uM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4F2O,,,,,,,
,,,QUS:A:301,valid,Ki,=,0.042,uM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,3DP4,,,,,,,
,,,AMQ:A:374,valid,Kd,=,43,nM,Cc1c(c(no1)O)C[C@@H](C(=O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4F22,,,,,,,
,,,KAI:A:301,valid,Ki,=,30.26,uM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,4F3B,,,,,,,
,,,GLU:A:301,valid,Ki,=,1.271,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,3RT8,,,,,,,
,,,CWD:A:401,valid,,,,,C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,3M3F,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,P99:A:800,valid,,,,,c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,3LSX,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,PZI:A:802,valid,,,,,C1CC(=O)N(C1)CC(=O)N,
,,,ZN:A:262,Part of Protein,,,,,[Zn+2],
,,3LSW,,,,,,,
,,,4MP:A:801,valid,,,,,COc1ccc(cc1)C(=O)N2CCCC2=O,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5CK5,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,GDP:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5CK4,,,,,,,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1RZX,,,,,,,
,,,ACE VAL LYS GLU SER LEU VAL:B:1,valid,Kd,=,80,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(C)C)CCCC[NH3+])CCC(=O)[O-])CO)CC(C)C)C(C)C,
,,5I7Z,,,,,,,
,,,PEG:A:301,invalid,,,,,C(COCCO)O,
,,,LEU PRO PRO GLU GLU ARG LEU ILE:B:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CCC(=O)[O-])CCC(=O)[O-])CCCNC(=[NH2+])N)CC(C)C)C(CC)C,
,Family. Representative Entry is ,1JX6,,,,,,,
,,,AI2:A:400,valid,,,,,[B-]1(O[C@@]2([C@](O1)([C@H](CO2)O)O)C)(O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5TWO,,,,,,,
,,,7MV:A:501,valid,,,,,c1ccc(cc1)CNC(=O)c2ccc3c(c2)ccn3Cc4ccc(c(c4)F)Cl,
,,6FZJ,,,,,,,
,,,IOD:B:551,invalid,,,,,[I-],
,,,IOD:A:551,invalid,,,,,[I-],
,,,EDK:A:550,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,,,EDK:B:550,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,,,CL:A:552,invalid,,,,,[Cl-],
,,,CL:A:554,invalid,,,,,[Cl-],
,,,CL:B:552,invalid,,,,,[Cl-],
,,,CL:A:553,invalid,,,,,[Cl-],
,,6FZP,,,,,,,
,,,NA:A:553,Part of Protein,,,,,[Na+],
,,,NA:A:552,Part of Protein,,,,,[Na+],
,,,NA:A:551,invalid,,,,,[Na+],
,,,EDK:A:550,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,,6FZF,,,,,,,
,,,EDK:A:4000,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,,,EDK:B:4000,valid,,,,,CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4,
,Family. Representative Entry is ,5L3V,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5TYI,,,,,,,
,,,LYS PHE GLU GLY 99Y ASP ASN GLU 48V:M:1,valid,Kd,=,0.13,uM,O=C([O-])CC1C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NCC(=O)[N-]C(Cc2ccc(C(=O)[O-])cc2)C(=O)N1,
,,,LYS PHE GLU GLY 99Y ASP ASN GLU 48V:P:1,valid,Kd,=,0.13,uM,O=C([O-])CC1C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NCC(=O)[N-]C(Cc2ccc(C(=O)[O-])cc2)C(=O)N1,
,,,LYS PHE GLU GLY 99Y ASP ASN GLU 48V:N:1,valid,Kd,=,0.13,uM,O=C([O-])CC1C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NCC(=O)[N-]C(Cc2ccc(C(=O)[O-])cc2)C(=O)N1,
,,,LYS PHE GLU GLY 99Y ASP ASN GLU 48V:L:1,valid,Kd,=,0.13,uM,O=C([O-])CC1C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)NC(C)C(=O)NCC(=O)[N-]C(Cc2ccc(C(=O)[O-])cc2)C(=O)N1,
,,5U1Q,,,,,,,
,,,CL:D:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:M:101,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,LYS PHE GLU GLY TYR ASP ASN GLU 48V:N:1,valid,Kd,=,1.1,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CCC=O)C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,,LYS PHE GLU GLY TYR ASP ASN GLU 48V:L:1,valid,Kd,=,1.1,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CCC=O)C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,,LYS PHE GLU GLY TYR ASP ASN GLU 48V:M:1,valid,Kd,=,1.1,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CCC=O)C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,,LYS PHE GLU GLY TYR ASP ASN GLU 48V:P:1,valid,Kd,=,1.1,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CCC=O)C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,5U06,,,,,,,
,,,K:B:601,Part of Protein,,,,,[K+],
,,,LYS PHE GLU GLY 1PA ASP ASN GLU 48V:P:1,valid,Kd,=,0.22,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(CC(=O)[O-])cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,,LYS PHE GLU GLY 1PA ASP ASN GLU 48V:L:1,valid,Kd,=,0.22,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(CC(=O)[O-])cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,,LYS PHE GLU GLY 1PA ASP ASN GLU 48V:N:1,valid,Kd,=,0.22,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(CC(=O)[O-])cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC(CC[CH-][O-])C(=O)NC(C(=O)N)CSCC(=O)NC(CCCC[NH3+])C(=O)NC(Cc2ccccc2)C(=O)N1,
,,5EEL,,,,,,,
,,,FMT NA :D:602,invalid,,,,,,
,,,FMT NA :E:602,invalid,,,,,,
,,,FMT NA :A:602,invalid,,,,,,
,,,FMT NA :C:602,invalid,,,,,,
,,,FMT NA :F:602,invalid,,,,,,
,,,FMT NA :B:601,invalid,,,,,,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:L:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:Q:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:M:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:R:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:P:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,SER PHE GLU GLY TYR ASP ASN 73C AEA:N:1,valid,Kd,=,0.83,uM,O=C([O-])CCC1C(=O)NCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(CC(=O)[O-])C(=O)NC(CC(=O)N)C(=O)NC2C(=O)NC(C(=O)N)CSCC(=O)NC(C(=O)NC(Cc3ccccc3)C(=O)N1)COCC=CCOC2,
,,,MLA:E:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:F:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:D:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:601,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,4K81,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GTP:H:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:H:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1OT6,,,,,,,
,,,HC4:A:169,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,1UWP,,,,,,,
,,,HC4:X:1126,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,SO4:X:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HY8,,,,,,,
,,,HC4:A:201,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,2QJ7,,,,,,,
,,,HC4:A:126,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,1OT9,,,,,,,
,,,HC4:A:169,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,4I3A,,,,,,,
,,,HC4:A:201,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,4WLA,,,,,,,
,,,HC4:A:201,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,4I39,,,,,,,
,,,HC4:A:201,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,3VE4,,,,,,,
,,,HC4:A:201,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,Family. Representative Entry is ,6FX0,,,,,,,
,,,E9T:A:501,valid,,,,,c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC6CC(C4)CC(C6)C5)O,
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,5APK,,,,,,,
,,,76E:B:1501,valid,ic50,=,0.04,uM,c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F,
,,,76E:A:1487,valid,ic50,=,0.04,uM,c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F,
,,4WQP,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3SX:B:601,valid,,,,,CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3,
,,,3SX:A:601,valid,,,,,CC(C)CN(Cc1ccc(cc1)N2CCN(CC2)C(=O)C)S(=O)(=O)Cc3ccccc3,
,Family. Representative Entry is ,4ZDM,,,,,,,
,,,GLY:A:301,valid,Kd,=,31,nM,C(C(=O)O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3UB7,,,,,,,
,,,ACM:A:301,valid,,,,,CC(=O)N,
,,,ACM:B:301,valid,,,,,CC(=O)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UB9,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,NHY:A:301,valid,,,,,C(=O)(N)NO,
,,,NHY:B:301,valid,,,,,C(=O)(N)NO,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MG7,,,,,,,
,,,27H:A:601,valid,,,,,CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C,
,,,27H:B:601,valid,,,,,CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)c3ccc(cc3)O)(C(C)C)O)C,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3E70,,,,,,,
,,,GDP:C:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:2001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1FAO,,,,,,,
,,,4IP:A:274,valid,Kd,=,0.043,uM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4IVG,,,,,,,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4J0B,,,,,,,
,,,CO:A:802,Part of Protein,,,,,[Co+2],
,,,CO:B:801,invalid,,,,,[Co+2],
,,,CO:B:802,invalid,,,,,[Co+2],
,,,CO:A:801,invalid,,,,,[Co+2],
,,,MG:B:805,Part of Protein,,,,,[Mg+2],
,,,MG:A:805,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:B:803,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:A:803,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,Family. Representative Entry is ,5WYZ,,,,,,,
,,,7VF:B:901,valid,Kd,=,21,nM,Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O,
,,,7VF:A:901,valid,Kd,=,21,nM,Cc1cc(ccc1O)c2ccnc3c2ccc(c3)O,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4QBZ,,,,,,,
,,,NAG NAG BMA MAN BMA:C:1,invalid,,,,,,
,,,NAG:A:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,D80:A:917,valid,,,,,CCCCc1nc2c(o1)c3ccccc3nc2N,
,,,D80:B:901,valid,,,,,CCCCc1nc2c(o1)c3ccccc3nc2N,
,,4R07,,,,,,,
,,,NAG:C:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,URI:D:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:C:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:B:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:A:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,UCG:D:902,valid,Kd,=,4.8,uM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:B:902,valid,Kd,=,4.8,uM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:A:902,valid,Kd,=,4.8,uM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:C:902,valid,Kd,=,4.8,uM,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3W3J,,,,,,,
,,,SO4:A:1022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:922,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:919,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1013,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,C09:B:901,valid,,,,,CCOCc1[nH]c2c3ccccc3nc(c2n1)N,
,,,C09:A:1014,valid,,,,,CCOCc1[nH]c2c3ccccc3nc(c2n1)N,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:B:923,invalid,,,,,C(C(CO)O)O,
,,4QC0,,,,,,,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XG1:B:901,valid,,,,,CCCCn1cc2c3ccccc3nc(c2n1)N,
,,,XG1:A:910,valid,,,,,CCCCn1cc2c3ccccc3nc(c2n1)N,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6ZJZ,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:E:1,invalid,,,,,,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:920,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,QLH:A:921,valid,ic50,=,120,nM,c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F,
,,,QLH:B:918,valid,ic50,=,120,nM,c1cc2c(ccc(c2nc1)C#N)N3C[C@H](C[C@H](C3)N)C(F)(F)F,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,FMT:B:919,invalid,,,,,C(=O)O,
,,3WN4,,,,,,,
,,,NAG:A:920,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:921,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,D87:A:901,valid,,,,,CCCCc1cc2c3ccccc3nc(c2o1)N,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,3W3K,,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,L07:B:901,valid,,,,,CCCc1nc2c(s1)c3ccccc3nc2N,
,,,L07:A:901,valid,,,,,CCCc1nc2c(s1)c3ccccc3nc2N,
,,,NAG:B:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5AWB,,,,,,,
,,,NAG:A:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,M0A:A:901,valid,,,,,CCCCc1nc2c(n1Cc3cccc(c3)CN)c4ccccc4nc2N,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4R08,,,,,,,
,,,URI:D:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:C:902,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:B:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:A:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,NAG:A:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,UCG:B:915,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:D:902,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:C:901,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,UCG:A:915,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@H]5O)N6C=CC(=O)NC6=O)COP(=O)(O)O)OP(=O)(O4)O)N=C(NC2=O)N,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3W3L,,,,,,,
,,,NAG NAG BMA MAN MAN:G:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:N:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:M:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:P:1,invalid,,,,,,
,,,NAG:B:1017,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1016,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1017,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:919,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1016,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:911,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RX8:B:1018,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,RX8:C:901,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,RX8:D:902,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,RX8:D:901,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,5WYX,,,,,,,
,,,NAG:B:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:915,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:914,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,CU8:B:901,valid,Kd,=,0.22,uM,Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N,
,,,CU8:A:916,valid,Kd,=,0.22,uM,Cc1cccc(c1)c2ccnc3n2ncc3C(=O)N,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3W3N,,,,,,,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,RX8:A:1020,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,RX8:B:901,valid,,,,,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,NAG:A:1018,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1017,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1019,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1016,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:919,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:921,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:920,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:916,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,GOL:A:1021,invalid,,,,,C(C(CO)O)O,
,,4R0A,,,,,,,
,,,NAG:A:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,URI:A:901,valid,Kd,=,55,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,5AWD,,,,,,,
,,,NAG:A:913,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:917,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:912,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,IDQ:A:901,valid,,,,,CCCCc1nc2c(n1Cc3ccc(cc3)CN)c4ccccc4nc2N,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,7A79,,,,,,,
,,,PLM:A:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2DT3,,,,,,,
,,,MAN:B:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:B:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG NAG NAG NAG NAG:C:1,valid,Kd,=,18,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,1ZB5,,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,TRP PRO TRP:B:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2c3c([nH]c2)cccc3)CCC1)Cc1c2c([nH]c1)cccc2,
,,,TRP PRO TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2c3c([nH]c2)cccc3)CCC1)Cc1c2c([nH]c1)cccc2,
,,2DSU,,,,,,,
,,,BMA:B:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,MAN:B:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:C:4,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG NAG NAG:C:1,valid,,,,,,
,,1ZBC,,,,,,,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,TRP PRO TRP:C:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2c3c([nH]c2)cccc3)CCC1)Cc1c2c([nH]c1)cccc2,
,,2DT0,,,,,,,
,,,NAG NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2DT1,,,,,,,
,,,NAG NDG BMA:B:1,Part of Protein,,,,,,
,,,NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,5NTW,,,,,,,
,,,98N:D:601,valid,ic50,=,0.6,nM,CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C,
,,,98N:C:601,valid,ic50,=,0.6,nM,CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C,
,,,98N:A:601,valid,ic50,=,0.6,nM,CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C,
,,,98N:B:601,valid,ic50,=,0.6,nM,CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C,
,,5NTN,,,,,,,
,,,98H:B:601,valid,,,,,C[C@H](CC/C=C(C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,
,,,98H:A:601,valid,,,,,C[C@H](CC/C=C(C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,
,,,98H:D:601,valid,,,,,C[C@H](CC/C=C(C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,
,,,98H:C:601,valid,,,,,C[C@H](CC/C=C(C)/CO)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C,
,,5NU1,,,,,,,
,,,8YB:B:601,valid,ic50,=,1,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl,
,,,8YB:A:601,valid,ic50,=,1,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3Cl)c4cccc(c4)Cl,
,,5NTI,,,,,,,
,,,C3S:C:601,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:A:601,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:B:601,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:D:601,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,6G05,,,,,,,
,,,EF5:A:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4,
,,,EF5:B:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)C(=O)c3ccccc3)c4ccccc4,
,,6G07,,,,,,,
,,,EEZ:D:601,valid,Kd,=,35.5,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl,
,,,EEZ:A:601,valid,Kd,=,35.5,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl,
,,,EEZ:C:601,valid,Kd,=,35.5,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl,
,,,EEZ:B:601,valid,Kd,=,35.5,nM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)Cl,
,,6FZU,,,,,,,
,,,EE8:B:601,valid,ic50,=,216,uM,CCOc1ccc(cc1Cl)NC(=O)C,
,,,EE8:A:601,valid,ic50,=,216,uM,CCOc1ccc(cc1Cl)NC(=O)C,
,Family. Representative Entry is ,4GCZ,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1OBX,,,,,,,
,,,CO:A:1271,Part of Protein,,,,,[Co+2],
,,,CO:A:1272,Part of Protein,,,,,[Co+2],
,,,GLU THR LEU GLU ASP SER VAL PHE:B:5,valid,Kd,=,1.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CO)C(C)C)Cc1ccccc1,
,,,SO4:A:1273,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OBY,,,,,,,
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1272,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THR ASN GLU PHE TYR ALA:P:2,valid,Kd,=,2.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)Cc1ccc(O)cc1)C,
,,,THR ASN GLU PHE TYR ALA:Q:1,valid,Kd,=,2.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CC(=O)N)CCC(=O)[O-])Cc1ccccc1)Cc1ccc(O)cc1)C,
,Family. Representative Entry is ,5ELT,,,,,,,
,,,U   A   A   U  :F:1,valid,,,,,,
,,,U   A   A   U  :E:0,valid,,,,,,
,Family. Representative Entry is ,1ION,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5G5W,,,,,,,
,,,R8C:A:1778,valid,ic50,=,0.0027,uM,C[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F,
,,,EDO:A:1777,invalid,,,,,C(CO)O,
,,4UDC,,,,,,,
,,,CPS:A:1777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,DEX:A:1778,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,5NFT,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,8W8:A:804,valid,,,,,C[C@@H]([C@@H](c1cccc(c1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C(F)(F)F,
,,4CSJ,,,,,,,
,,,NN7:A:1778,valid,ic50,=,4.9,nM,Cc1cc(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3c4ccc(cc4)F)C,
,,,EDO:A:1777,invalid,,,,,C(CO)O,
,,6EL7,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,B9T:A:802,valid,,,,,C[C@@H]([C@@H](c1cnc(nc1)C2CC2)Oc3ccc(cc3Br)C#N)NC(=O)C(C)(F)F,
,,5NFP,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,CPS:A:801,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,8W5:A:804,valid,,,,,CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C,
,,4UDD,,,,,,,
,,,CPS:A:1780,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1778,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:1779,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CV7:A:1782,valid,,,,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O,
,,,EDO:A:1781,invalid,,,,,C(CO)O,
,,6EL9,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,B9W:A:802,valid,ic50,=,3.8,nM,CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F,
,,6EL6,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,B9Q:A:802,valid,ic50,=,6.3,nM,C[C@@H]([C@@H](c1ccc(nc1)OC)Oc2ccc3c(c2)cnn3c4ccc(cc4)F)NC(=O)C5CC5,
,,5G3J,,,,,,,
,,,CPS:A:1777,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,EDO:A:1778,invalid,,,,,C(CO)O,
,,,E7T:A:1779,valid,ic50,=,63,nM,CC[C@@H]1C[C@@]([C@H](c2c1c(c(c(c2)F)F)O)Nc3cccc4c3C=CC(=O)N4)(C(F)(F)F)O,
,Family. Representative Entry is ,1JD5,,,,,,,
,,,ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA:B:1,valid,Kd,=,0.24,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C(CC)C)Cc1ccccc1)Cc1ccc(O)cc1)C)C(NC(=O)C([NH3+])C)C(CC)C,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3VQ2,,,,,,,
,,,LP4 LP5 MYR DAO:D:300,valid,,,,,P(=O)(OC1C(OC(=O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)C(NC(=O)CC(OC(O)CCCCCCCCCCC)CCCCCCCCC)C(OCC2C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)([O-])[O-])O2)OC1CO)([O-])[O-],
,,,LP4 LP5 MYR DAO:C:300,valid,,,,,P(=O)(OC1C(OC(=O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)C(NC(=O)CC(OC(O)CCCCCCCCCCC)CCCCCCCCC)C(OCC2C(O)C(OC(=O)CC(O)CCCCCCCCCCC)C(NC(=O)CC(O)CCCCCCCCCCC)C(OP(=O)([O-])[O-])O2)OC1CO)([O-])[O-],
,,,NAG:A:800,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4RGA,,,,,,,
,,,GYP GZL NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(C(O)CO)OC1OCC1C(O)C(O)C(O)C(OC)O1)C,
,,,GYP GZL NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(C(O)CO)OC1OCC1C(O)C(O)C(O)C(OC)O1)C,
,Family. Representative Entry is ,1PUJ,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1N46,,,,,,,
,,,PFA:A:462,valid,Ki,=,0.03,nM,Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3,
,,,PFA:B:463,valid,Ki,=,0.03,nM,Cc1cc(cc(c1Oc2ccc(c(c2)C(C)C)O)C)N3C(=O)NC(=O)C=N3,
,,2PIN,,,,,,,
,,,4HY:A:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:B:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,LEG:A:501,valid,,,,,CCCCCCc1ccc(cc1)C(=O)C=C,
,,,LEG:B:502,valid,,,,,CCCCCCc1ccc(cc1)C(=O)C=C,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GWS,,,,,,,
,,,T3:X:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,2J4A,,,,,,,
,,,OEF:A:1461,valid,,,,,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)CCC(=O)O)Br,
,,3D57,,,,,,,
,,,4HY:A:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:B:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NQ2,,,,,,,
,,,4HY:A:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,ARS:A:600,invalid,,,,,[As],
,,,ARS:A:601,invalid,,,,,[As],
,,,ARS:A:602,invalid,,,,,[As],
,,,ARS:A:603,invalid,,,,,[As],
,,,ARS:A:604,invalid,,,,,[As],
,,,NA:A:700,invalid,,,,,[Na+],
,,1XZX,,,,,,,
,,,CAC:X:501,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:X:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:X:503,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:X:504,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:X:505,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:X:506,invalid,,,,,C[As](=O)(C)[O-],
,,,T3:X:500,valid,Kd,=,0.06,nM,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,3JZC,,,,,,,
,,,4HY:A:1,valid,ic50,~,1,nM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,1NQ0,,,,,,,
,,,4HY:A:500,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,ARS:A:600,invalid,,,,,[As],
,,,ARS:A:601,invalid,,,,,[As],
,,,ARS:A:602,invalid,,,,,[As],
,,,ARS:A:603,invalid,,,,,[As],
,,,ARS:A:604,invalid,,,,,[As],
,,,ARS:A:605,invalid,,,,,[As],
,Family. Representative Entry is ,4MGB,,,,,,,
,,,XDH:A:601,valid,,,,,CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,,XDH:B:601,valid,,,,,CC(C)(c1cc(c(c(c1)Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2X00,,,,,,,
,,,GYN:A:301,valid,Kd,=,0.0047,nM,C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CCC=C([C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O,
,,,GYN:B:301,valid,Kd,=,0.0047,nM,C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CCC=C([C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O,
,,,GYN:C:301,valid,Kd,=,0.0047,nM,C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CCC=C([C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O,
,,,GYN:D:301,valid,Kd,=,0.0047,nM,C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CCC=C([C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O,
,,,GYN:E:301,valid,Kd,=,0.0047,nM,C[C@@H]1C[C@@H]2CC[C@@H](/C(=C/[C@H]3C(=C(CC[C@@]34CCCN=C4CCC=C([C@@H]1O2)/C)[C@@H]5C[C@@H](C(=O)O5)C)C)/C)O,
,Family. Representative Entry is ,4EYG,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,IPA:B:403,invalid,,,,,CC(C)O,
,,,VNL:A:401,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:B:402,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,4EYK,,,,,,,
,,,DHB:A:401,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,4EY3,,,,,,,
,,,PHB:A:401,valid,,,,,c1cc(ccc1C(=O)O)O,
,Family. Representative Entry is ,2YJD,,,,,,,
,,,YJD:A:1498,valid,,,,,CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O,
,,,YJD:B:1498,valid,,,,,CC(C)Oc1nc2ccccc2n1c3ccc(cc3)O,
,Family. Representative Entry is ,6NWC,,,,,,,
,,,L6P:A:201,valid,ic50,=,18,nM,c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N,
,Family. Representative Entry is ,4MG9,,,,,,,
,,,27K:A:601,valid,,,,,CCCCOC(=O)c1ccc(cc1)O,
,,,27K:B:601,valid,,,,,CCCCOC(=O)c1ccc(cc1)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5C4O,,,,,,,
,,,4F1:A:601,valid,ic50,=,6.1,nM,c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YPQ,,,,,,,
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,4F1:A:601,valid,ic50,=,7,nM,c1ccc2c(c1)c(nn2C(=O)c3c(cccc3Cl)C(F)(F)F)c4ccc(cc4)C(=O)O,
,,5YP6,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN:B:688,invalid,,,,,,
,,,4CX:A:601,valid,ic50,>,0.0000316,M,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(c(c2)C(F)(F)F)c3ccc(c(c3)C#N)CC(C)C,
,,6Q6O,,,,,,,
,,,CHD:A:502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:503,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,HKE:A:501,valid,ic50,=,29,nM,C[C@@H](C(=O)OC(C)C)N(c1c(cccc1Cl)Cl)C(=O)c2ccco2,
,Family. Representative Entry is ,5AZ8,,,,,,,
,,,AAC:B:101,invalid,,,,,CC(=O)NCC(=O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6NWK,,,,,,,
,,,DEX:A:301,valid,Ki,=,20,nM,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,ACE:A:303,invalid,,,,,CC=O,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,6NWL,,,,,,,
,,,HCY:A:301,valid,Ki,=,43,nM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,TLA:A:304,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EPE:A:305,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SCN:A:306,invalid,,,,,C(#N)[S-],
,,,SCN:A:308,invalid,,,,,C(#N)[S-],
,,6W9L,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,TUS:A:301,valid,,,,,CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO,
,Family. Representative Entry is ,6RNK,,,,,,,
,,,OLC:A:410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:414,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,KAZ:A:401,valid,,,,,CN1CCN(CC1)Cc2ccc(cc2)c3cccc(c3)C(=O)Nc4ccccc4CC(=O)O,
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,6IBB,,,,,,,
,,,GOL:C:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,OLC:C:405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:401,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:401,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:C:402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:C:403,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,H95:A:410,valid,,,,,C[C@H](CC[C@H](C)O)O,
,,6Z10,,,,,,,
,,,OLC:A:412,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:405,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:411,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:408,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:403,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:404,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:413,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:409,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:410,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:407,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:406,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Q4T:A:401,valid,,,,,c1cc(c(c(c1)C(=O)Nc2ccc(cc2CC(=O)O)F)F)c3cc(c(cc3F)Cl)O[C@@H]4CCCNC4,
,,,CL:A:415,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1X1R,,,,,,,
,,,GDP:A:1179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1180,Part of Protein,,,,,[Mg+2],
,,3KKO,,,,,,,
,,,GNP:A:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:P:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:180,Part of Protein,,,,,[Mg+2],
,,,MG:B:180,Part of Protein,,,,,[Mg+2],
,,,MG:P:180,Part of Protein,,,,,[Mg+2],
,,,SO4:A:181,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:181,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:181,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KKQ,,,,,,,
,,,GDP:A:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:180,Part of Protein,,,,,[Mg+2],
,,3KKP,,,,,,,
,,,GNP:A:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:180,Part of Protein,,,,,[Mg+2],
,,1X1S,,,,,,,
,,,GNP:A:179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:180,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4IO2,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,GLU:A:303,valid,Kd,=,203,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:303,valid,Kd,=,203,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,4IO5,,,,,,,
,,,ALA:A:301,valid,Kd,=,9,uM,C[C@@H](C(=O)O)N,
,,,ALA:B:301,valid,Kd,=,9,uM,C[C@@H](C(=O)O)N,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,4IO6,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,MET:A:301,valid,Kd,=,15,uM,CSCC[C@@H](C(=O)O)N,
,,,MET:B:301,valid,Kd,=,15,uM,CSCC[C@@H](C(=O)O)N,
,,4IO3,,,,,,,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,ASP:A:301,valid,Kd,=,875,nM,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:301,valid,Kd,=,875,nM,C([C@@H](C(=O)O)N)C(=O)O,
,,4IO4,,,,,,,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,SER:B:301,valid,Kd,=,24,uM,C([C@@H](C(=O)O)N)O,
,,,SER:A:301,valid,Kd,=,24,uM,C([C@@H](C(=O)O)N)O,
,,4IO7,,,,,,,
,,,PHE:A:301,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:301,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2PYY,,,,,,,
,,,GLU:A:1620,valid,Kd,=,0.000023,M,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:2620,valid,Kd,=,0.000023,M,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:3620,valid,Kd,=,0.000023,M,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3W9R,,,,,,,
,,,A8S:A:201,valid,Kd,=,0.66,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5FBK,,,,,,,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MG:B:611,Part of Protein,,,,,[Mg+2],
,,,MG:B:610,Part of Protein,,,,,[Mg+2],
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:B:607,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:B:608,invalid,,,,,[Cl-],
,,,BCT:B:609,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:609,invalid,,,,,C(=O)(O)[O-],
,,,TCR:B:601,valid,,,,,c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O,
,,,TCR:A:601,valid,,,,,c1ccc2c(c1)c3c([nH]2)CN[C@@H](C3)C(=O)O,
,Family. Representative Entry is ,3M1I,,,,,,,
,,,GTP:A:1177,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1178,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WGD,,,,,,,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,1ZEI,,,,,,,
,,,CL:B:55,invalid,,,,,[Cl-],
,,,CL:C:55,invalid,,,,,[Cl-],
,,,CRS:A:54,valid,,,,,Cc1cccc(c1)O,
,,,CRS:B:56,valid,,,,,Cc1cccc(c1)O,
,,,CRS:C:56,valid,,,,,Cc1cccc(c1)O,
,,,CRS:D:54,valid,,,,,Cc1cccc(c1)O,
,,,CRS:E:54,valid,,,,,Cc1cccc(c1)O,
,,,CRS:E:55,valid,,,,,Cc1cccc(c1)O,
,,,CRS:F:54,valid,,,,,Cc1cccc(c1)O,
,,,CRS:F:55,valid,,,,,Cc1cccc(c1)O,
,,,ZN:B:54,Part of Protein,,,,,[Zn+2],
,,,ZN:C:54,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1ZC3,,,,,,,
,,,GNP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:C:600,Part of Protein,,,,,[Mg+2],
,,1ZC4,,,,,,,
,,,GNP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,,,MG:C:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5DXE,,,,,,,
,,,EST:A:1000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:1000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,6D1U,,,,,,,
,,,NA:A:2202,invalid,,,,,[Na+],
,,,NA:C:2202,invalid,,,,,[Na+],
,,,NA:C:2204,invalid,,,,,[Na+],
,,,NA:C:2203,invalid,,,,,[Na+],
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2Q1H,,,,,,,
,,,AS4:A:301,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,NA:A:248,Part of Protein,,,,,[Na+],
,,,NA:A:249,Part of Protein,,,,,[Na+],
,,4LTW,,,,,,,
,,,486:A:302,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,,,486:A:303,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STR:A:301,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,2Q3Y,,,,,,,
,,,1CA:A:247,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,GOL:A:248,invalid,,,,,C(C(CO)O)O,
,,,PRO ALA ILE LEU TYR ALA LEU LEU SER SER:B:18,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)C(CC)C)CC(C)C)Cc1ccc(O)cc1)C)CC(C)C)CC(C)C)CO)CO,
,,2Q1V,,,,,,,
,,,GOL:A:249,invalid,,,,,C(C(CO)O)O,
,,,PDN:A:248,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,Family. Representative Entry is ,5UR6,,,,,,,
,,,8KM:A:207,valid,ic50,=,87,nM,Cc1ccc(cc1)CS(=O)(=O)Nc2ccc(c(c2)C3CC3)C#N,
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WG8,,,,,,,
,,,6AS:A:201,valid,,,,,CCCCCCSC1=C([C@@](C(CC1=O)(C)C)(/C=C/C(=CC(=O)O)/C)O)C,
,,3K3K,,,,,,,
,,,A8S:B:1001,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,3K90,,,,,,,
,,,A8S:A:192,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,A8S:D:192,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,ACY:B:192,invalid,,,,,CC(=O)O,
,,,GOL:B:3968,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:192,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3968,invalid,,,,,C(C(CO)O)O,
,,5YGV,,,,,,,
,,,8V6:B:301,valid,,,,,Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=CC(=O)O)/C)O)(C)C,
,,,8V6:A:300,valid,,,,,Cc1ccc(cc1)C#CCO[C@H]2CC([C@](C(=C2)C)(/C=C/C(=CC(=O)O)/C)O)(C)C,
,,3NJO,,,,,,,
,,,CL:B:192,invalid,,,,,[Cl-],
,,,NA:A:193,Part of Protein,,,,,[Na+],
,,,P2M:B:300,valid,,,,,c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3,
,,,PYV:A:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,SO4:A:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UR5,,,,,,,
,,,8KP:A:207,valid,,,,,CCc1cc(cc(c1C#N)C)NS(=O)(=O)Cc2ccc(cc2)C,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3CV0,,,,,,,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,PHE ASN GLU LEU SER HIS LEU:B:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCC(=O)[O-])CC(C)C)CO)Cc1nc[nH]c1)CC(C)C,
,,3CVL,,,,,,,
,,,HIS GLU GLU LEU ALA LYS LEU:B:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CC(C)C)C)CCCC[NH3+])CC(C)C,
,,3CVP,,,,,,,
,,,GLY THR LEU SER ASN ARG ALA SER LYS LEU:B:5,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C)C)CO)CCCC[NH3+])CC(C)C,
,,3CVN,,,,,,,
,,,ARG ASP ARG ALA ALA LYS LEU:B:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C)C)CCCC[NH3+])CC(C)C,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:15,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:17,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:20,invalid,,,,,C(CO)O,
,,,EDO:A:21,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2Z7X,,,,,,,
,,,NAG:A:911,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:921,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:811,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1)C,
,,,NAG NAG BMA:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN:E:1,Part of Protein,,,,,,
,,,NAG NDG MAN:D:1,Part of Protein,,,,,,
,,,SER LYS LYS LYS LYS PCJ:C:2,valid,,,,,S(CC(NC(=O)CCCCCCCCCCCCCCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CO)CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,3C4M,,,,,,,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6KKB,,,,,,,
,,,8HO:X:501,valid,,,,,Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3,
,Family. Representative Entry is ,1G16,,,,,,,
,,,CO:A:301,Part of Protein,,,,,[Co+2],
,,,CO:A:305,Part of Protein,,,,,[Co+2],
,,,CO:B:304,Part of Protein,,,,,[Co+2],
,,,CO:C:302,Part of Protein,,,,,[Co+2],
,,,CO:C:306,Part of Protein,,,,,[Co+2],
,,,CO:D:303,Part of Protein,,,,,[Co+2],
,,,CO:D:307,Part of Protein,,,,,[Co+2],
,,,CO:D:308,Part of Protein,,,,,[Co+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4Z8Y,,,,,,,
,,,ZN:B:204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,1G17,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1M7B,,,,,,,
,,,GTP:A:538,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:550,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2AG4,,,,,,,
,,,IPA:A:1501,invalid,,,,,CC(C)O,
,,,IPA:A:1502,invalid,,,,,CC(C)O,
,,,IPA:A:1503,invalid,,,,,CC(C)O,
,,,IPA:A:1506,invalid,,,,,CC(C)O,
,,,IPA:A:1508,invalid,,,,,CC(C)O,
,,,IPA:B:1504,invalid,,,,,CC(C)O,
,,,IPA:B:1505,invalid,,,,,CC(C)O,
,,,IPA:B:1507,invalid,,,,,CC(C)O,
,,,IPA:B:1510,invalid,,,,,CC(C)O,
,,,IPA:B:1511,invalid,,,,,CC(C)O,
,,,IPA:B:1512,invalid,,,,,CC(C)O,
,,,IPA:B:1513,invalid,,,,,CC(C)O,
,,,LP3:A:2341,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LP3:B:2342,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,OLA:A:3628,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:B:3629,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,1TJJ,,,,,,,
,,,ACT:A:3320,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3321,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3322,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3323,invalid,,,,,CC(=O)[O-],
,,,ACT:C:3324,invalid,,,,,CC(=O)[O-],
,,,CL:A:801,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:C:803,invalid,,,,,[Cl-],
,,,DAO:B:1364,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,EPE:A:900,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,IPA:A:1503,invalid,,,,,CC(C)O,
,,,IPA:B:1515,invalid,,,,,CC(C)O,
,,,IPA:C:1511,invalid,,,,,CC(C)O,
,,,IPA:C:1513,invalid,,,,,CC(C)O,
,,,IPA:C:1514,invalid,,,,,CC(C)O,
,,,LPE:A:2483,valid,,,,,CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,LPE:B:2485,valid,,,,,CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,LPE:C:2488,valid,,,,,CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,PFS:A:2482,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C,
,,,PFS:B:2484,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C,
,,,PFS:C:2486,valid,,,,,CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C,
,,2AG9,,,,,,,
,,,IPA:A:1501,invalid,,,,,CC(C)O,
,,,IPA:A:1502,invalid,,,,,CC(C)O,
,,,IPA:A:1503,invalid,,,,,CC(C)O,
,,,IPA:A:1505,invalid,,,,,CC(C)O,
,,,IPA:A:1508,invalid,,,,,CC(C)O,
,,,IPA:A:1513,invalid,,,,,CC(C)O,
,,,IPA:A:1514,invalid,,,,,CC(C)O,
,,,IPA:A:1515,invalid,,,,,CC(C)O,
,,,IPA:A:1516,invalid,,,,,CC(C)O,
,,,IPA:A:1517,invalid,,,,,CC(C)O,
,,,IPA:B:1504,invalid,,,,,CC(C)O,
,,,IPA:B:1506,invalid,,,,,CC(C)O,
,,,IPA:B:1507,invalid,,,,,CC(C)O,
,,,IPA:B:1511,invalid,,,,,CC(C)O,
,,,MYR:B:3045,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2AF9,,,,,,,
,,,DAO:A:1364,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1365,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,IPA:A:1510,invalid,,,,,CC(C)O,
,,,IPA:A:1511,invalid,,,,,CC(C)O,
,,,MYR:A:3045,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,OLA:A:3629,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,2AG2,,,,,,,
,,,CH5:B:2341,valid,,,,,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,CH5:C:2342,valid,,,,,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,CL:A:801,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,CL:C:803,invalid,,,,,[Cl-],
,,,DAO:B:1364,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,EPE:A:900,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,IPA:A:1502,invalid,,,,,CC(C)O,
,,,IPA:A:1504,invalid,,,,,CC(C)O,
,,,IPA:B:1508,invalid,,,,,CC(C)O,
,,,IPA:B:1509,invalid,,,,,CC(C)O,
,,,IPA:B:1515,invalid,,,,,CC(C)O,
,,,IPA:C:1510,invalid,,,,,CC(C)O,
,,,IPA:C:1511,invalid,,,,,CC(C)O,
,,,IPA:C:1512,invalid,,,,,CC(C)O,
,,,IPA:C:1513,invalid,,,,,CC(C)O,
,,,IPA:C:1514,invalid,,,,,CC(C)O,
,,,LP3:A:2344,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LP3:A:2345,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LP3:B:2343,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LP3:C:2346,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,MYR:B:3046,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:C:3045,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,OLA:B:3628,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:C:3629,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,2HFN,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3MZI,,,,,,,
,,,FMN:A:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2HFO,,,,,,,
,,,FMN:A:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:I:154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1MFG,,,,,,,
,,,GLU TYR LEU GLY LEU ASP VAL PRO VAL:B:1247,valid,Kd,~,50,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])Cc2ccc(O)cc2)CC(C)C)CC(C)C)CC(=O)[O-])C(C)C)CCC1)C(C)C,
,,6Q0U,,,,,,,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,TYR TYR GLU SER GLY TRP LEU:C:-4,valid,,,,,,
,,,TYR TYR GLU SER GLY TRP LEU:D:-4,valid,,,,,,
,,1MFL,,,,,,,
,,,GLU PTR LEU GLY LEU ASP VAL PRO VAL:B:1251,valid,Kd,~,128,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(=O)[O-])C(C)C)CCC1)C(C)C,
,,6Q0M,,,,,,,
,,,NA:B:104,Part of Protein,,,,,[Na+],
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,CL:B:102,invalid,,,,,[Cl-],
,,,CL:B:101,invalid,,,,,[Cl-],
,,,TYR TYR GLU SER ASP TRP LEU:D:-4,valid,,,,,,
,,,TYR TYR GLU SER ASP TRP LEU:C:-4,valid,,,,,,
,,,ACT:A:101,invalid,,,,,CC(=O)[O-],
,,6Q0N,,,,,,,
,,,THR GLY TYR GLU THR TRP VAL:D:-5,valid,,,,,,
,,,THR GLY TYR GLU THR TRP VAL:C:-3,valid,,,,,,
,Family. Representative Entry is ,5ZKC,,,,,,,
,,,3C0:A:501,valid,Kd,=,6.4,nM,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C,
,,5YC8,,,,,,,
,,,3C0:A:501,valid,Kd,=,6.4,nM,C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4)C,
,Family. Representative Entry is ,6W9K,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,TUA:A:301,valid,,,,,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,
,,,SER LEU LEU LYS LYS LEU LEU LEU ALA PRO:B:142,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C)CC(C)C)CC(C)C)CC(C)C)CCCC[NH3+])CCCC[NH3+])CC(C)C)CC(C)C)C([NH3+])CO,
,Family. Representative Entry is ,1F5N,,,,,,,
,,,GNP:A:593,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:595,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1DZK,,,,,,,
,,,PRZ:A:700,valid,Kd,=,0.8,uM,CC(C)Cc1c(nccn1)OC,
,,,PRZ:B:700,valid,Kd,=,0.8,uM,CC(C)Cc1c(nccn1)OC,
,,1HQP,,,,,,,
,,,PRZ:A:160,valid,,,,,CC(C)Cc1c(nccn1)OC,
,,1DZP,,,,,,,
,,,BZQ:A:600,valid,ic50,=,3.6,uM,c1ccc(cc1)C(=O)c2ccccc2,
,,,BZQ:B:600,valid,ic50,=,3.6,uM,c1ccc(cc1)C(=O)c2ccccc2,
,,1E00,,,,,,,
,,,DHM:A:600,valid,ic50,=,0.8,uM,C[C@H](CCCC(C)(C)O)C=C,
,,,DHM:B:600,valid,ic50,=,0.8,uM,C[C@H](CCCC(C)(C)O)C=C,
,,1E06,,,,,,,
,,,IPB:A:600,valid,ic50,=,2.5,uM,Cc1ccc(c(c1)O)C(C)C,
,,,IPB:B:600,valid,ic50,=,2.5,uM,Cc1ccc(c(c1)O)C(C)C,
,,1DZJ,,,,,,,
,,,SES:A:700,valid,ic50,=,1.3,uM,CCCCc1c([se]c(n1)N)CCC,
,,,SES:B:700,valid,ic50,=,1.3,uM,CCCCc1c([se]c(n1)N)CCC,
,,1DZM,,,,,,,
,,,BZM:A:600,valid,ic50,=,3.9,uM,c1ccc(cc1)COC(=O)c2ccccc2,
,,,BZM:B:600,valid,ic50,=,3.9,uM,c1ccc(cc1)COC(=O)c2ccccc2,
,,1E02,,,,,,,
,,,UNA:A:600,valid,ic50,=,0.7,uM,CCCCCCCCCCC=O,
,,,UNA:B:600,valid,ic50,=,0.7,uM,CCCCCCCCCCC=O,
,Family. Representative Entry is ,5VKM,,,,,,,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,Family. Representative Entry is ,3B9Q,,,,,,,
,,,MLI:A:1,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,4XAQ,,,,,,,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,40F:A:601,valid,Ki,=,71.7,nM,C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N,
,,,40F:B:601,valid,Ki,=,71.7,nM,C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N,
,,4XAS,,,,,,,
,,,40H:A:601,valid,Ki,=,260,nM,C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N,
,,,40H:B:601,valid,Ki,=,260,nM,C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N,
,Family. Representative Entry is ,5L3S,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GNP:E:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:G:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:H:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:H:402,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,MG:G:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,G:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:E:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:G:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,G:C:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4K79,,,,,,,
,,,A2G GAL:G:1,valid,Ka,=,22100,M^-1,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:F:1,valid,Ka,=,22100,M^-1,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:E:1,valid,Ka,=,22100,M^-1,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,4K5U,,,,,,,
,,,GAL:D:301,valid,Ka,=,9600,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:301,valid,Ka,=,9600,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:301,valid,Ka,=,9600,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:301,valid,Ka,=,9600,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6ESN,,,,,,,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,BWE:A:601,valid,ic50,=,0.009,uM,CCS(=O)(=O)c1ccc(cc1)[C@H](C(=O)Nc2cc(cs2)c3cc(cc(c3OC)F)C#N)NC(=O)C,
,,5APH,,,,,,,
,,,DMS:A:1511,invalid,,,,,CS(=O)C,
,,,VYI:A:1510,valid,ic50,=,0.06,uM,c1ccc(c(c1)Nc2cccc3c2CN(CCO3)S(=O)(=O)c4ccc(cc4)F)F,
,,5APJ,,,,,,,
,,,NA:A:1509,Part of Protein,,,,,[Na+],
,,,76E:A:1508,valid,ic50,=,0.04,uM,c1cc(cc(c1)S(=O)(=O)N2CCOc3ccc(cc3C2)NC(=O)c4c(cccc4Cl)F)C(F)(F)F,
,,3KYT,,,,,,,
,,,HC2:A:1001,valid,,,,,CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,
,,5G44,,,,,,,
,,,DMS:A:1514,invalid,,,,,CS(=O)C,
,,,SWX:A:1511,valid,,,,,c1cc(ccc1CO)c2cncnc2,
,,,NA:A:1513,Part of Protein,,,,,[Na+],
,,,YTZ:A:1512,valid,,,,,c1cc(ccc1N)S(=O)(=O)Nc2nccs2,
,,,I6G:A:1510,valid,,,,,Cc1c(nc2c(ccc(c2n1)O)OC)C,
,,3L0L,,,,,,,
,,,HC3:A:1001,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,HC3:B:1001,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,4WXJ,,,,,,,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1FNN,,,,,,,
,,,ADP:A:398,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:390,Part of Protein,,,,,[Mg+2],
,,,MG:B:391,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2ZSH,,,,,,,
,,,GA3:A:345,valid,,,,,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,2ZSI,,,,,,,
,,,GA4:A:345,valid,,,,,C[C@@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)O)OC2=O)O,
,Family. Representative Entry is ,3W9F,,,,,,,
,,,I3P:C:2001,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:A:2001,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:D:2001,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:2001,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1LB6,,,,,,,
,,,LYS GLN GLU PRO GLN GLU ILE ASP PHE:B:601,valid,Kd,=,84,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC(=O)N)CCC(=O)[O-])CCC1)CCC(=O)N)CCC(=O)[O-])C(CC)C)CC(=O)[O-])Cc1ccccc1,
,,1LB5,,,,,,,
,,,GLN MET PRO THR GLU ASP GLU TYR:B:601,valid,,,,,S(CCC(NC(=O)C([NH3+])CCC(=O)N)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C(O)C)CCC1)C,
,Family. Representative Entry is ,5DX3,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,EST:B:1000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,6PIT,,,,,,,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,2LIG,,,,,,,
,,,ASP:A:189,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,PHN:A:390,invalid,,,,,c1cc2ccc3cccnc3c2nc1,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1U8Z,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,1U90,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,1U8Y,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2R40,,,,,,,
,,,20E:D:9001,valid,,,,,C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O,
,,,EPH:A:600,valid,,,,,CCCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC=CCCC=CCCC=CC)CO[P@](=O)(O)OCCN,
,,,FLC:D:9400,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:D:9500,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3OJI,,,,,,,
,,,PYV:A:210,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:210,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DSC,,,,,,,
,,,A8S:A:301,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,A8S:B:301,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5GMH,,,,,,,
,,,SO4:B:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:926,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:922,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:919,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:919,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:925,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:927,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:921,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:923,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:920,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:924,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RX8:B:901,valid,Kd,=,0.49,uM,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,RX8:A:901,valid,Kd,=,0.49,uM,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5GMF,,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:D:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:909,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:910,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:908,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GMP:C:901,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:901,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:C:902,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:D:901,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:D:903,Part of Protein,,,,,[Ca+2],
,,,CA:D:902,Part of Protein,,,,,[Ca+2],
,,,U   U   U   U  :H:1,valid,,,,,,
,,,U   U   U   U  :G:1,valid,,,,,,
,,,U   U   U   U  :F:1,valid,,,,,,
,,,U   U   U   U  :E:1,valid,,,,,,
,Family. Representative Entry is ,5HYR,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,4MGD,,,,,,,
,,,27N:A:601,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O,
,,,27N:B:601,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4MG8,,,,,,,
,,,27J:B:601,valid,,,,,C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O,
,,,27J:A:601,valid,,,,,C[C@H]1CCC[C@@H](CCCCCc2cc(cc(c2C(=O)O1)O)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3GN8,,,,,,,
,,,DEX:A:247,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,DEX:B:247,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,Family. Representative Entry is ,5DXG,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,EST:A:1000,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,3H3G,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4UXU,,,,,,,
,,,MLK:A:1213,valid,,,,,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,MLK:B:1213,valid,,,,,CC[N@]1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)C[C@@H](C8=O)C,
,,,EPE:B:1214,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1216,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1214,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1215,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EDO:B:1215,invalid,,,,,C(CO)O,
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,NAG:A:2214,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2214,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:B:1217,Part of Protein,,,,,[Na+],
,,,NA:A:1218,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2W0Z,,,,,,,
,,,ALA PRO PRO PRO ARG PRO PRO LYS PRO:B:6,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C([NH3+])C)CCC3)CCC2)CCC1)CCCNC(=[NH2+])N)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C=O)CCC3)CCCC[NH3+])CCC2)CCC1,
,Family. Representative Entry is ,6Q67,,,,,,,
,,,BGC:A:601,valid,Kd,=,0.17,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5CMK,,,,,,,
,,,LI:A:302,Part of Protein,,,,,[Li+],
,,,LI:B:302,Part of Protein,,,,,[Li+],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,LY5:B:301,valid,ic50,=,30,nM,C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)O,
,,4H8I,,,,,,,
,,,11W:A:301,valid,,,,,c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:B:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4BDQ,,,,,,,
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,CYS:A:804,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:804,valid,,,,,C([C@@H](C(=O)O)N)S,
,,2XXW,,,,,,,
,,,CL:B:901,invalid,,,,,[Cl-],
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1SD3,,,,,,,
,,,SYM:A:998,valid,,,,,C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O,
,,,SYM:B:999,valid,,,,,C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O,
,,2XXX,,,,,,,
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,2XXR,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,3QXM,,,,,,,
,,,NDZ:A:301,valid,Ki,=,33,nM,C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O,
,,,NDZ:B:302,valid,Ki,=,33,nM,C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O,
,,1S9T,,,,,,,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:B:2002,invalid,,,,,[Cl-],
,,,QUS:A:1001,valid,Ki,=,253,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,,QUS:B:1002,valid,Ki,=,253,nM,C([C@@H](C(=O)O)N)N1C(=O)NC(=O)O1,
,,4BDR,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,KAI:A:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,CYS:B:804,valid,,,,,C([C@@H](C(=O)O)N)S,
,,2XXT,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,KAI:A:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,5CMM,,,,,,,
,,,SYM:A:301,valid,,,,,C[C@H](C[C@@H](C(=O)[O-])N)C(=O)O,
,,2XXU,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,4BDN,,,,,,,
,,,CYS:D:804,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:A:804,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,NA:C:902,Part of Protein,,,,,[Na+],
,,,NA:D:902,Part of Protein,,,,,[Na+],
,,,GLU:C:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLY CYS:B:803,valid,,,,,SCC(NC(=O)CN)C=O,
,,1S50,,,,,,,
,,,GLU:A:999,valid,Ki,=,1.4,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,2XXV,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,KAI:A:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:900,valid,,,,,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,4BDL,,,,,,,
,,,GLU:A:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:900,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,1S7Y,,,,,,,
,,,GLU:A:551,valid,Ki,=,1.4,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:552,valid,Ki,=,1.4,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1TT1,,,,,,,
,,,KAI:A:998,valid,Ki,=,64.6,nM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,,,KAI:B:999,valid,Ki,=,64.6,nM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,Family. Representative Entry is ,4D3W,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,NGA GAL:B:1,valid,Kd,=,0.85,uM,,
,,,A2G GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,6Y9J,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,4AF9,,,,,,,
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,GLC GAL:B:1,valid,,,,,,
,,,GOL:A:1268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1270,invalid,,,,,C(COCCO)O,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4ASL,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NGA GAL:B:1,valid,Kd,=,2.1,uM,,
,,4AFA,,,,,,,
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1270,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1268,invalid,,,,,C(COCCO)O,
,,,GLC GAL:B:1,valid,,,,,,
,,4AFC,,,,,,,
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1270,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1271,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1272,invalid,,,,,C(COCCO)O,
,,,GLC GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,4FIL,,,,,,,
,,,ZN:D:415,Part of Protein,,,,,[Zn+2],
,,,ZN:C:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:414,Part of Protein,,,,,[Zn+2],
,,,ZN:C:411,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:412,Part of Protein,,,,,[Zn+2],
,,,ZN:B:408,Part of Protein,,,,,[Zn+2],
,,,ZN:D:410,Part of Protein,,,,,[Zn+2],
,,,ZN:C:407,invalid,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:407,Part of Protein,,,,,[Zn+2],
,,,ZN:D:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:415,Part of Protein,,,,,[Zn+2],
,,,ZN:D:414,Part of Protein,,,,,[Zn+2],
,,,ZN:C:413,Part of Protein,,,,,[Zn+2],
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:405,Part of Protein,,,,,[Zn+2],
,,,ZN:B:411,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:D:409,Part of Protein,,,,,[Zn+2],
,,,ZN:D:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:413,Part of Protein,,,,,[Zn+2],
,,,ZN:B:417,Part of Protein,,,,,[Zn+2],
,,,ZN:A:413,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:C:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:D:405,Part of Protein,,,,,[Zn+2],
,,,ZN:D:411,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:C:412,Part of Protein,,,,,[Zn+2],
,,,ZN:D:413,Part of Protein,,,,,[Zn+2],
,,,ZN:B:416,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:D:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:414,Part of Protein,,,,,[Zn+2],
,,,ZN:B:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:412,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:410,Part of Protein,,,,,[Zn+2],
,,,ZN:D:408,Part of Protein,,,,,[Zn+2],
,,,ZN:B:415,invalid,,,,,[Zn+2],
,,,ZN:C:409,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:410,Part of Protein,,,,,[Zn+2],
,,,ZN:D:412,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:407,Part of Protein,,,,,[Zn+2],
,,,EDO:D:419,invalid,,,,,C(CO)O,
,,,EDO:D:417,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:D:416,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:D:418,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,0UE:B:401,valid,Kd,=,0.034,uM,CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN,
,,,0UE:D:401,valid,Kd,=,0.034,uM,CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN,
,,,0UE:C:401,valid,Kd,=,0.034,uM,CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN,
,,,0UE:A:401,valid,Kd,=,0.034,uM,CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN,
,Family. Representative Entry is ,4J26,,,,,,,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,5ZM0,,,,,,,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MES:A:610,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:612,invalid,,,,,[Cl-],
,,,CL:A:611,invalid,,,,,[Cl-],
,,6FN3,,,,,,,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:614,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6FN2,,,,,,,
,,,CL:A:607,invalid,,,,,[Cl-],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:606,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,HDF:A:602,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H]([C@@H]([C@H](CO)O)O)O,
,Family. Representative Entry is ,4C4M,,,,,,,
,,,ASG BDP ASG BDP:B:1,valid,,,,,,
,,,ZN:A:1193,Part of Protein,,,,,[Zn+2],
,,,CA:A:1194,Part of Protein,,,,,[Ca+2],
,,,CA:A:1195,Part of Protein,,,,,[Ca+2],
,,,ACT:A:1200,invalid,,,,,CC(=O)[O-],
,,4C4N,,,,,,,
,,,CL:B:1195,invalid,,,,,[Cl-],
,,,CA:B:1193,Part of Protein,,,,,[Ca+2],
,,,CA:A:1192,Part of Protein,,,,,[Ca+2],
,,,CA:B:1194,Part of Protein,,,,,[Ca+2],
,,,CA:A:1193,Part of Protein,,,,,[Ca+2],
,,,ZN:B:1192,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1191,Part of Protein,,,,,[Zn+2],
,,,IDS SGN IDS SGN IDS SGN:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)CC(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(O)OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,SGN IDS SGN IDS SGN IDS:D:1,valid,,,,,,
,Family. Representative Entry is ,2PJL,,,,,,,
,,,047:A:600,valid,ic50,=,190,nM,Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4,
,,,047:B:700,valid,ic50,=,190,nM,Cc1ccc(cc1)n2cc(c3c2cccc3)CNCC4CCCCC4,
,Family. Representative Entry is ,5WGQ,,,,,,,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,4OAR,,,,,,,
,,,2S0:A:1001,valid,ic50,=,0.038,nM,CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)OC(=O)C,
,,2OVH,,,,,,,
,,,AS0:A:301,valid,ic50,=,1,nM,C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(COC)OC)c5ccc(cc5)C=NO,
,Family. Representative Entry is ,4ZGM,,,,,,,
,,,32M:A:201,valid,ic50,=,357,nM,CCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,32M:B:101,valid,ic50,=,357,nM,CCCCCCCCOCCOCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,1LR8,,,,,,,
,,,IHS:A:30,valid,Kd,=,10,nM,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,5K13,,,,,,,
,,,6Q7:A:501,valid,Ki,=,1.8,nM,CC(C)(C)c1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)C)c4ccc(cc4)C(=O)O,
,Family. Representative Entry is ,3KFC,,,,,,,
,,,61X:A:1,valid,ic50,=,2.8,nM,CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F,
,,,61X:B:1,valid,ic50,=,2.8,nM,CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F,
,,,61X:D:1,valid,ic50,=,2.8,nM,CS(=O)(=O)c1cccc(c1)Oc2cccc(c2)c3ccnc4c3cccc4C(F)(F)F,
,,1PQ9,,,,,,,
,,,44B:A:1501,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F,
,,,44B:B:2501,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F,
,,,44B:C:3501,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F,
,,,44B:D:4501,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)NCC(F)(F)F,
,,,BNS:A:1500,valid,,,,,c1ccc(cc1)S(=O)(=O)O,
,,,BNS:B:2500,valid,,,,,c1ccc(cc1)S(=O)(=O)O,
,,,BNS:C:3500,valid,,,,,c1ccc(cc1)S(=O)(=O)O,
,,,BNS:D:4500,valid,,,,,c1ccc(cc1)S(=O)(=O)O,
,,4RAK,,,,,,,
,,,652:A:503,valid,Ki,=,14,nM,CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O,
,,,652:B:502,valid,Ki,=,14,nM,CC(C)(c1ccccc1Cl)c2nc(cn2c3ccc(cc3)c4cccc(c4)S(=O)(=O)C)C(C)(C)O,
,,,BU1:A:501,invalid,,,,,C(CCO)CO,
,,,BU1:A:502,invalid,,,,,C(CCO)CO,
,,,BU1:B:501,invalid,,,,,C(CCO)CO,
,,6S4T,,,,,,,
,,,KVB:A:501,valid,Ki,=,0.00000079,M,c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F,
,,,KVB:A:502,valid,Ki,=,0.00000079,M,c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(cc5)CC(=O)O)cccc3C(F)(F)F,
,,6K9H,,,,,,,
,,,D40:B:501,valid,Ki,=,600,nM,CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O,
,,,D40:A:501,valid,Ki,=,600,nM,CC(C)(C)OC(=O)N1CC[C@@]2([C@@H]1c3ccccc3)c4ccccc4NC2=O,
,,1UPV,,,,,,,
,,,444:A:462,valid,,,,,c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,1PQ6,,,,,,,
,,,965:A:1500,valid,,,,,c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4,
,,,965:B:2500,valid,,,,,c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4,
,,,965:D:3500,valid,,,,,c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4,
,,,IPA:A:1501,invalid,,,,,CC(C)O,
,,,IPA:B:2501,invalid,,,,,CC(C)O,
,,6S4N,,,,,,,
,,,KUW:D:501,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:B:501,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:A:501,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:B:502,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:D:502,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:D:503,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,KUW:C:501,valid,Kd,=,1.6,uM,CC(C)N1C(=O)C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(cc(cn4)CC(=O)O)Cl,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UPW,,,,,,,
,,,444:A:1462,valid,,,,,c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,5JY3,,,,,,,
,,,6OX:D:501,valid,Ki,=,12,nM,CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O,
,,,6OX:C:501,valid,Ki,=,12,nM,CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O,
,,,6OX:B:501,valid,Ki,=,12,nM,CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O,
,,,6OX:A:501,valid,Ki,=,12,nM,CC(C)(c1cn(c(n1)C(C)(C)c2c(cccc2Cl)Cl)c3ccc(cc3F)c4cc(c(c(c4)S(=O)(=O)C)CO)F)O,
,,,BU1:B:502,invalid,,,,,C(CCO)CO,
,,,BU1:D:502,invalid,,,,,C(CCO)CO,
,,6S5K,,,,,,,
,,,KWE:A:501,valid,Ki,=,0.00000079,M,c1ccc(cc1)CCCCNC2=C(C(=O)N(C2=O)Cc3ccccc3)Cc4ccccc4,
,Family. Representative Entry is ,1U18,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HSM:A:401,valid,,,,,c1c(nc[nH]1)CCN,
,,,HSM:B:402,valid,,,,,c1c(nc[nH]1)CCN,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1D01,,,,,,,
,,,ACE MET LEU SER VAL GLU GLU GLU GLY:G:575,valid,,,,,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC[CH2-])CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C(C)C)CO)CC(C)C)C,
,,,ACE MET LEU SER VAL GLU GLU GLU GLY:H:575,valid,,,,,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC[CH2-])CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C(C)C)CO)CC(C)C)C,
,,,ACE MET LEU SER VAL GLU GLU GLU GLY:I:575,valid,,,,,S(CCC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC[CH2-])CCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C(C)C)CO)CC(C)C)C,
,,1CZY,,,,,,,
,,,ACE PRO GLN GLN ALA THR ASP ASP:D:203,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CCC(=O)N)CCC(=O)N)C)C(O)C)CC(=O)[O-])CC(=O)[O-],
,,,ACE PRO GLN GLN ALA THR ASP ASP:E:204,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)CCC(=O)N)CCC(=O)N)C)C(O)C)CC(=O)[O-])CC(=O)[O-],
,,1D00,,,,,,,
,,,ACE PRO VAL GLN GLU THR NH2:I:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:J:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:K:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:L:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:M:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:N:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:O:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,,ACE PRO VAL GLN GLU THR NH2:P:249,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(C)C)CCC(=O)N)CCC(=O)[O-])C(O)C,
,,1D0J,,,,,,,
,,,ACE GLY ALA ALA GLN GLU GLU:G:232,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C)C)CCC(=O)N)CCC(=O)[O-])C,
,,,ACE GLY ALA ALA GLN GLU GLU:H:232,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C)C)CCC(=O)N)CCC(=O)[O-])C,
,,,ACE GLY ALA ALA GLN GLU GLU:I:230,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C)C)CCC(=O)N)CCC(=O)[O-])C,
,,,ACE GLY ALA ALA GLN GLU GLU:J:231,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C)C)CCC(=O)N)CCC(=O)[O-])C,
,,,ACE GLY ALA ALA GLN GLU GLU:K:232,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C)C)C)CCC(=O)N)CCC(=O)[O-])C,
,,1D0A,,,,,,,
,,,ACE PRO ILE GLN GLU GLU:G:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,,,ACE PRO ILE GLN GLU GLU:H:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,,,ACE PRO ILE GLN GLU GLU:I:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,,,ACE PRO ILE GLN GLU GLU:J:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,,,ACE PRO ILE GLN GLU GLU:K:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,,,ACE PRO ILE GLN GLU GLU:L:261,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(CC)C)CCC(=O)N)CCC(=O)[O-])CCC(=O)[O-],
,Family. Representative Entry is ,6A5Y,,,,,,,
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9CR:D:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9R0:A:501,valid,,,,,c1cc(c(c(c1)Cl)c2c(c(on2)C3CC3)COC4CC5(C4)CCN(C5)c6nc7ccc(cc7s6)C(=O)O)Cl,
,Family. Representative Entry is ,2QT5,,,,,,,
,,,ACY:A:2,invalid,,,,,CC(=O)O,
,,,ACY:A:244,invalid,,,,,CC(=O)O,
,,,ASN ASN LEU GLN ASP GLY THR GLU VAL:X:1006,valid,Kd,~,9.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CN)C(O)C)CCC(=O)[O-])C(C)C,
,,,ASN ASN LEU GLN ASP GLY THR GLU VAL:Y:2006,valid,Kd,~,9.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CN)C(O)C)CCC(=O)[O-])C(C)C,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1I7E,,,,,,,
,,,IBS:A:2001,valid,,,,,C(C(=O)CO[P@](=O)(O)OC1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6KS1,,,,,,,
,,,OLB:A:404,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:403,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:406,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:405,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:407,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLC:A:408,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,LPX:A:409,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OCCN)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,OLA:A:402,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,5LWY,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:L:201,invalid,,,,,C(C(CO)O)O,
,,,OLB:A:407,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:403,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:405,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:408,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:402,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:404,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:409,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:406,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLA:A:410,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,2D0N,,,,,,,
,,,PRO SER ILE ASP ARG SER THR LYS PRO:B:233,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CO)C(CC)C)CC(=O)[O-])CCCNC(=[NH2+])N)CO)C(O)C,
,,,PRO SER ILE ASP ARG SER THR LYS PRO:D:233,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CO)C(CC)C)CC(=O)[O-])CCCNC(=[NH2+])N)CO)C(O)C,
,Family. Representative Entry is ,5U1M,,,,,,,
,,,ACE LEU TYR ALA SER SER ASN PRO ALA PTR:B:1000,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(C)C)Cc3ccc(O)cc3)C)CO)CO)CC(=O)N)CCC2)C)C(=O)[O-])cc1)([O-])[O-],
,Family. Representative Entry is ,4OEE,,,,,,,
,,,IDY GNX:B:1,valid,Kd,=,1.73,uM,S(=O)(=O)(OC1C(O)C(CO)OC(OC2C(O)C(OS(=O)(=O)[O-])C(OC)OC2C(=O)[O-])C1NS(=O)(=O)[O-])[O-],
,,1BFC,,,,,,,
,,,SGN IDS SGN IDS SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(OC5C(O)C(NS(=O)(=O)[O-])C(O)OC5COS(=O)(=O)[O-])OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,1BFB,,,,,,,
,,,SGN IDS SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,4OEG,,,,,,,
,,,IDY SUS:B:1,valid,Kd,=,9.01,uM,S(=O)(=O)(OCC1C(O)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC)OC2C(=O)[O-])O1)[O-],
,,4OEF,,,,,,,
,,,IDY SGN:B:1,valid,Kd,=,17.5,uM,S(=O)(=O)(OCC1C(O)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC)OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,6IIU,,,,,,,
,,,CLR:A:9003,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:9005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:9004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,A8X:A:9001,valid,Ki,=,11,nM,c1ccc2c(c1)c3c(n2CCC(=O)O)CC[C@H](C3)NS(=O)(=O)c4ccc(cc4)F,
,,,GOL:A:9006,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:9002,invalid,,,,,[Zn+2],
,Family. Representative Entry is ,2OG2,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MLI:A:400,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1E96,,,,,,,
,,,GTP:A:200,valid,Kd,=,2.7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5UC1,,,,,,,
,,,MPD:B:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CPS:B:803,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:803,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:802,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:B:802,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CL:B:805,invalid,,,,,[Cl-],
,,,CL:A:805,invalid,,,,,[Cl-],
,,,CL:A:804,invalid,,,,,[Cl-],
,,,CL:B:804,invalid,,,,,[Cl-],
,,,EDO:B:809,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,486:B:801,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,,,486:A:801,valid,,,,,CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N(C)C)C)O,
,Family. Representative Entry is ,3RSJ,,,,,,,
,,,GAL NGA GAL SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL SIA NGA GAL SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,,NGA GAL SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(C=O)OC1O)C,
,,,NGA GAL SIA:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(C=O)OC1O)C,
,Family. Representative Entry is ,1Y2F,,,,,,,
,,,WAI:A:300,valid,Kd,=,12,uM,Cc1ccc(cc1Cl)Nc2nccc(n2)c3ccnc(c3)N4CCN(CC4)CCN,
,,1Y2G,,,,,,,
,,,CL3:A:301,valid,Kd,=,83.1,uM,CC(=O)N(C)c1cccc(c1)c2nnc3n2nc(cc3)c4ccccc4,
,,1S1S,,,,,,,
,,,WAC:B:301,valid,,,,,CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O,
,,1S1J,,,,,,,
,,,IQZ:A:301,valid,,,,,c1ccc2c(c1)c3c([nH]2)[C@@H]4CCCC[N@]4CC3=O,
,Family. Representative Entry is ,4Q0K,,,,,,,
,,,GA3:A:201,valid,Kd,=,13.4,uM,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5LXB,,,,,,,
,,,7A9:E:302,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:D:302,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:C:302,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:H:301,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:J:302,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:G:302,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,7A9:B:301,valid,,,,,c1cc2c3c(c1)C(=O)N(C[C@@H]3CCC2)[C@@H]4CN5CCC4CC5,
,,,NAG:J:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4N6H,,,,,,,
,,,PGE:A:1214,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1213,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1221,invalid,,,,,C(COCCOCCO)O,
,,,OLA:A:1201,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1216,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1215,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1217,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1202,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:1223,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1222,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1212,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:1220,Part of Protein,,,,,[Na+],
,,,EJ4:A:1219,valid,,,,,c1ccc2c(c1)c3c([nH]2)[C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC8CC8,
,,,TLA:A:1218,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6TOD,,,,,,,
,,,SOG:B:421,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:419,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:425,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:426,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:421,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:427,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:423,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:419,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:427,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:428,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:424,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:430,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:428,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:423,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:429,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:426,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:424,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:422,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:425,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:420,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:422,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:420,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGW:A:429,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:431,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,CIT:A:406,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:B:432,Part of Protein,,,,,[Na+],
,,,NA:A:430,Part of Protein,,,,,[Na+],
,,,7MA:A:401,valid,,,,,CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C,
,,,7MA:B:401,valid,,,,,CCN(Cc1cccnc1)C(=O)CN(c2ccc(nc2)OC)S(=O)(=O)c3ccccc3C,
,,6TOS,,,,,,,
,,,SOG:A:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:420,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:419,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PGW:B:405,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:404,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,NA:A:419,Part of Protein,,,,,[Na+],
,,,NRE:B:401,valid,,,,,C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br,
,,,NRE:A:401,valid,,,,,C[C@H]1CC[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(cn3)Br,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIT:A:404,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,6TOT,,,,,,,
,,,SOG:A:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:404,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NRK:A:401,valid,,,,,Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F,
,,,NRK:B:401,valid,,,,,Cc1c(cnc(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F)c4cccc(c4)F,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGW:A:410,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:A:409,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,6TP6,,,,,,,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGW:B:409,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:A:411,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,NT5:A:401,valid,,,,,Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4,
,,,NT5:B:401,valid,,,,,Cc1ccc(c(c1)C(=O)N2C[C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:410,invalid,,,,,[Cl-],
,,6TO7,,,,,,,
,,,NA:B:427,Part of Protein,,,,,[Na+],
,,,NA:A:427,Part of Protein,,,,,[Na+],
,,,SOG:B:421,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:419,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:425,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:421,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:423,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:419,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:424,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:423,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:424,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:422,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:425,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:420,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:418,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:422,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:420,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:417,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:404,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SUV:B:401,valid,,,,,Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5,
,,,SUV:A:401,valid,,,,,Cc1ccc(c(c1)C(=O)N2CCN(CC[C@H]2C)c3nc4cc(ccc4o3)Cl)n5nccn5,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGW:A:426,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:B:426,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,CIT:A:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6TQ4,,,,,,,
,,,PGW:B:404,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,PGW:A:404,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC,
,,,SOG:B:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:411,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:406,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:409,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:408,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:407,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:405,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:412,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:410,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NV8:A:401,valid,,,,,c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4,
,,,NV8:B:401,valid,,,,,c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5ccccc5o4,
,,,NA:A:413,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2AK5,,,,,,,
,,,ARG PRO PRO LYS PRO ARG PRO ARG:D:904,valid,Kd,=,14,uM,O=C(C([NH3+])CCCNC(=[NH2+])N)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)N4C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC4)CCCNC(=[NH2+])N)CCC3)CCCC[NH3+])CCC2)CCC1,
,Family. Representative Entry is ,4APO,,,,,,,
,,,ALA GLU ASP ASP VAL GLU:E:1,valid,Kd,=,12.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-],
,,,ALA GLU ASP ASP VAL GLU:D:1,valid,Kd,=,12.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-],
,,,SO4:B:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,12P:B:1326,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1VLT,,,,,,,
,,,ASP:A:389,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,5L3W,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4XAR,,,,,,,
,,,IOD:A:608,invalid,,,,,[I-],
,,,IOD:A:605,invalid,,,,,[I-],
,,,IOD:A:609,invalid,,,,,[I-],
,,,IOD:A:607,invalid,,,,,[I-],
,,,IOD:A:602,invalid,,,,,[I-],
,,,IOD:A:604,invalid,,,,,[I-],
,,,IOD:A:603,invalid,,,,,[I-],
,,,IOD:A:606,invalid,,,,,[I-],
,,,40F:A:601,valid,Ki,=,107,nM,C1C[C@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(C(=O)O)N,
,Family. Representative Entry is ,1DDV,,,,,,,
,,,THR PRO PRO SER PRO PHE:B:1001,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C3N(C(=O)C([NH3+])C(O)C)CCC3)CCC2)CO)CCC1)Cc1ccccc1,
,Family. Representative Entry is ,1SE0,,,,,,,
,,,ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C(CC)C)Cc1ccccc1)Cc1ccc(O)cc1)C)C(NC(=O)C([NH3+])C)C(CC)C,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,1SDZ,,,,,,,
,,,ALA VAL ALA PHE TYR ILE PRO ASP GLN ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C(CC)C)Cc1ccc(O)cc1)Cc1ccccc1)C)C(NC(=O)C([NH3+])C)C(C)C,
,,,ZN:A:155,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1FCH,,,,,,,
,,,TYR GLN SER LYS LEU:C:1,valid,Kd,=,70,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)N)CO)CCCC[NH3+])CC(C)C,
,,,TYR GLN SER LYS LEU:D:1,valid,Kd,=,70,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)CCC(=O)N)CO)CCCC[NH3+])CC(C)C,
,Family. Representative Entry is ,6VEA,,,,,,,
,,,NA:A:402,invalid,,,,,[Na+],
,,,GLY:A:401,valid,,,,,C(C(=O)O)N,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:A:403,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,1U3D,,,,,,,
,,,ANP:A:511,valid,Kd,=,75,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:518,invalid,,,,,[Cl-],
,,,FAD:A:510,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:514,Part of Protein,,,,,[Mg+2],
,,,MG:A:515,Part of Protein,,,,,[Mg+2],
,,,MG:A:516,Part of Protein,,,,,[Mg+2],
,,,MG:A:517,Part of Protein,,,,,[Mg+2],
,,,NDS:A:512,invalid,,,,,CC[N+](C)(C)CCCS(=O)(=O)[O-],
,Family. Representative Entry is ,1SEM,,,,,,,
,,,ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG:C:1,valid,Kd,=,43,uM,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C)CCC3)CCC2)CCC1)C(C)C)N1C(C(=O)N2C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC2)CCC1,
,,,ACE PRO PRO PRO VAL PRO PRO ARG ARG ARG:D:1,valid,Kd,=,43,uM,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C)CCC3)CCC2)CCC1)C(C)C)N1C(C(=O)N2C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC2)CCC1,
,,2SEM,,,,,,,
,,,ACE PRO PRO PRO VAL IPG PRO ARG ARG:C:1,valid,,,,,O=C(N(C(C)C)CC(=O)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1)C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C)CCC3)CCC2)CCC1)C(C)C,
,,,ACE PRO PRO PRO VAL IPG PRO ARG ARG:D:11,valid,,,,,O=C(N(C(C)C)CC(=O)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1)C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C)CCC3)CCC2)CCC1)C(C)C,
,,3SEM,,,,,,,
,,,PRO PRO PRO VAL NMC PRO ARG ARG ARG:C:2,valid,,,,,O=C(N(CC(=O)N1C(C=O)CCC1)CC1CC1)C(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(C)C,
,,,PRO PRO PRO VAL NMC PRO ARG ARG ARG:D:12,valid,,,,,O=C(N(CC(=O)N1C(C=O)CCC1)CC1CC1)C(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(C)C,
,Family. Representative Entry is ,4J24,,,,,,,
,,,EST:C:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:D:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,Family. Representative Entry is ,4KMZ,,,,,,,
,,,K:A:302,invalid,,,,,[K+],
,,,FOL:A:301,valid,Kd,=,2.7,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:303,invalid,,,,,[Cl-],
,,4KN0,,,,,,,
,,,K:A:302,invalid,,,,,[K+],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,MTX:A:301,valid,Kd,=,40,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,4KN1,,,,,,,
,,,K:A:302,invalid,,,,,[K+],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,04J:A:301,valid,Kd,=,144,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,3EA5,,,,,,,
,,,GDP MG:A:220,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)CO1)[O-].[Mg+2],
,,,GDP MG:C:220,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)CO1)[O-].[Mg+2],
,,,MG:A:221,Part of Protein,,,,,[Mg+2],
,,,MG:C:221,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5L7G,,,,,,,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,6QE:A:1102,valid,Ki,=,16,nM,Cc1c(c(on1)COc2cccc(c2F)F)c3ccc(cc3)CNS(=O)(=O)C4(CC4)C,
,,,LYS SER LEU LEU GLN GLN LEU LEU THR GLU:B:1432,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CC(C)C)CC(C)C)CCC(=O)N)CCC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,5L7H,,,,,,,
,,,6QG:A:1101,valid,Ki,=,50,nM,Cc1c-2c(on1)COc3cccc(c3)CCCS(=O)(=O)NCc4ccc2cc4,
,,,NHE:A:1102,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,LYS SER LEU LEU GLN GLN LEU LEU THR GLU:B:1432,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CC(C)C)CC(C)C)CCC(=O)N)CCC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,5L7E,,,,,,,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,MPD:A:1102,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,LYS SER LEU LEU GLN GLN LEU LEU THR GLU:B:432,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CC(C)C)CC(C)C)CCC(=O)N)CCC(=O)N)CC(C)C)CC(C)C)C(O)C,
,,,6Q0:A:1106,valid,Ki,=,0.25,uM,Cc1c(c(on1)C)c2ccc(cc2)CNS(=O)(=O)c3ccccc3,
,,,NHE:A:1101,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6CS8,,,,,,,
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,F9Y:B:501,valid,Kd,~,100,uM,c1cc(cc2c1cc[nH]2)C#N,
,,,F9Y:B:502,valid,Kd,~,100,uM,c1cc(cc2c1cc[nH]2)C#N,
,,,F9Y:A:501,valid,Kd,~,100,uM,c1cc(cc2c1cc[nH]2)C#N,
,,,F9Y:A:502,valid,Kd,~,100,uM,c1cc(cc2c1cc[nH]2)C#N,
,,5NIY,,,,,,,
,,,GNP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6FQD,,,,,,,
,,,K:B:501,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6N6N,,,,,,,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GCP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6DLX,,,,,,,
,,,GXY:B:501,valid,Kd,~,480,uM,COc1cc(c(cc1Br)OC)N,
,,,GXY:A:502,valid,Kd,~,480,uM,COc1cc(c(cc1Br)OC)N,
,,,GXY:A:501,valid,Kd,~,480,uM,COc1cc(c(cc1Br)OC)N,
,,,GXY:B:502,valid,Kd,~,480,uM,COc1cc(c(cc1Br)OC)N,
,,,NH4:A:505,invalid,,,,,[NH4+],
,,,NH4:B:504,invalid,,,,,[NH4+],
,,,NH4:B:503,invalid,,,,,[NH4+],
,,,NH4:A:506,invalid,,,,,[NH4+],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,,NH4:A:507,invalid,,,,,[NH4+],
,,,NH4:A:510,invalid,,,,,[NH4+],
,,,NH4:B:507,invalid,,,,,[NH4+],
,,,NH4:A:508,invalid,,,,,[NH4+],
,,,NH4:B:510,invalid,,,,,[NH4+],
,,,NH4:A:504,invalid,,,,,[NH4+],
,,,NH4:B:509,invalid,,,,,[NH4+],
,,,NH4:B:508,invalid,,,,,[NH4+],
,,,NH4:B:506,invalid,,,,,[NH4+],
,,,NH4:B:511,invalid,,,,,[NH4+],
,,,NH4:A:509,invalid,,,,,[NH4+],
,,,NH4:B:505,invalid,,,,,[NH4+],
,,,PEG:A:511,invalid,,,,,C(COCCO)O,
,,6NC4,,,,,,,
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,NH4:A:508,invalid,,,,,[NH4+],
,,,NH4:B:522,invalid,,,,,[NH4+],
,,,NH4:B:515,invalid,,,,,[NH4+],
,,,NH4:B:519,invalid,,,,,[NH4+],
,,,NH4:B:510,invalid,,,,,[NH4+],
,,,NH4:B:509,invalid,,,,,[NH4+],
,,,NH4:A:507,invalid,,,,,[NH4+],
,,,NH4:A:506,invalid,,,,,[NH4+],
,,,NH4:B:517,invalid,,,,,[NH4+],
,,,NH4:B:516,invalid,,,,,[NH4+],
,,,NH4:A:505,invalid,,,,,[NH4+],
,,,NH4:B:514,invalid,,,,,[NH4+],
,,,NH4:B:520,invalid,,,,,[NH4+],
,,,NH4:B:513,invalid,,,,,[NH4+],
,,,NH4:B:512,invalid,,,,,[NH4+],
,,,NH4:A:509,invalid,,,,,[NH4+],
,,,NH4:B:518,invalid,,,,,[NH4+],
,,,NH4:B:521,invalid,,,,,[NH4+],
,,,NH4:A:504,invalid,,,,,[NH4+],
,,,NH4:B:511,invalid,,,,,[NH4+],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6NC1,,,,,,,
,,,K:B:501,invalid,,,,,[K+],
,,,K:B:502,invalid,,,,,[K+],
,,,K:B:503,invalid,,,,,[K+],
,,,K:A:502,invalid,,,,,[K+],
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,6CVD,,,,,,,
,,,4ME:B:501,valid,Kd,~,100,uM,COC(=O)c1cccc2c1cc[nH]2,
,,,4ME:A:502,valid,Kd,~,100,uM,COC(=O)c1cccc2c1cc[nH]2,
,,,4ME:B:502,valid,Kd,~,100,uM,COC(=O)c1cccc2c1cc[nH]2,
,,,4ME:A:501,valid,Kd,~,100,uM,COC(=O)c1cccc2c1cc[nH]2,
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NH4:A:503,invalid,,,,,[NH4+],
,,,NH4:A:504,invalid,,,,,[NH4+],
,Family. Representative Entry is ,4F06,,,,,,,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,NA:A:411,invalid,,,,,[Na+],
,,,PHB:A:401,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:A:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EVS,,,,,,,
,,,PHB:A:408,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1V3S,,,,,,,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1V9O,,,,,,,
,,,ADP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5IKB,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,KAI:A:301,valid,Kd,=,1.9,nM,CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O,
,Family. Representative Entry is ,6RZ6,,,,,,,
,,,OLC:A:2017,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2009,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2019,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2007,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2014,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2013,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2015,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2006,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2011,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2012,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2008,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2018,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2010,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2016,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,KNW:A:2001,valid,,,,,c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F,
,,,OLA:A:2025,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2026,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2024,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2020,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2027,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2028,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2029,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2022,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2023,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2021,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,TLA:A:2003,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,1PE:A:2030,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CLR:A:2002,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,6RZ7,,,,,,,
,,,KNW:A:2001,valid,,,,,c1cc(c2c(c1)N(C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3)OCCCCc4cc(ccc4Cl)F,
,,,OLA:A:2019,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2025,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2008,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2005,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2024,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2010,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2020,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2017,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2013,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2012,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2007,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2006,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2018,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2016,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2014,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2022,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2011,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2023,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2015,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2021,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:2009,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLC:A:2003,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:2004,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:2002,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PGE:A:2026,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5DT6,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5ICT,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2O4J,,,,,,,
,,,VD4:A:500,valid,Ki,=,0.08,nM,C/C(=C/1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O,
,,1RJK,,,,,,,
,,,VDZ:A:500,valid,,,,,C[C@@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,1RKG,,,,,,,
,,,VD1:A:500,valid,,,,,CC[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C,
,,1RK3,,,,,,,
,,,VDX:A:500,valid,Kd,=,0.37,nM,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,2O4R,,,,,,,
,,,VD5:A:500,valid,Ki,=,0.4,nM,C/C(=C1/CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](C(=C)[C@@H](C3)O)O)C)/CCCC(C)(C)O,
,,1RKH,,,,,,,
,,,VD2:A:500,valid,,,,,CC1[C@@H](CC(=CC=C2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)C[C@H]1O)O,
,Family. Representative Entry is ,6E4V,,,,,,,
,,,BOG:A:805,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:804,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:801,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:802,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:803,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HWS:A:806,valid,,,,,C/C/1=CC2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)/C=C(C)/CCO)O=C(N(O5)CCC[C@@H](C(=O)OCC1)NC(=O)C)/C=C(C)/CCO,
,Family. Representative Entry is ,4TJX,,,,,,,
,,,ALA ASP SER ASN PRO ILE ARG PRO VAL THR:B:1,valid,,,,,,
,Family. Representative Entry is ,1DS6,,,,,,,
,,,GDP:A:194,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:193,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6HLP,,,,,,,
,,,PEG:A:1530,invalid,,,,,C(COCCO)O,
,,,PEG:A:1532,invalid,,,,,C(COCCO)O,
,,,PEG:A:1527,invalid,,,,,C(COCCO)O,
,,,PEG:A:1529,invalid,,,,,C(COCCO)O,
,,,PEG:A:1525,invalid,,,,,C(COCCO)O,
,,,PEG:A:1526,invalid,,,,,C(COCCO)O,
,,,PEG:A:1542,invalid,,,,,C(COCCO)O,
,,,PEG:A:1518,invalid,,,,,C(COCCO)O,
,,,PEG:A:1531,invalid,,,,,C(COCCO)O,
,,,PEG:A:1521,invalid,,,,,C(COCCO)O,
,,,PEG:A:1541,invalid,,,,,C(COCCO)O,
,,,PEG:A:1528,invalid,,,,,C(COCCO)O,
,,,PEG:A:1538,invalid,,,,,C(COCCO)O,
,,,PEG:A:1537,invalid,,,,,C(COCCO)O,
,,,PEG:A:1535,invalid,,,,,C(COCCO)O,
,,,PEG:A:1524,invalid,,,,,C(COCCO)O,
,,,PEG:A:1534,invalid,,,,,C(COCCO)O,
,,,PEG:A:1519,invalid,,,,,C(COCCO)O,
,,,PEG:A:1522,invalid,,,,,C(COCCO)O,
,,,PEG:A:1517,invalid,,,,,C(COCCO)O,
,,,PEG:A:1520,invalid,,,,,C(COCCO)O,
,,,PEG:A:1536,invalid,,,,,C(COCCO)O,
,,,PEG:A:1523,invalid,,,,,C(COCCO)O,
,,,PEG:A:1533,invalid,,,,,C(COCCO)O,
,,,OLC:A:1514,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1513,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1512,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1516,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1540,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1539,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1515,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CIT:A:1502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,OLA:A:1507,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1503,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1505,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1504,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,GAW:A:1501,valid,,,,,Cc1ccccc1c2cc(ncc2N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C,
,,6HLO,,,,,,,
,,,OLA:A:1512,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1513,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1507,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1518,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1517,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1515,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1519,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1503,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1516,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1504,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1514,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1505,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,CIT:A:1502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,OLC:A:1522,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1521,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1520,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,GBQ:A:1501,valid,,,,,C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)c4ccc(cc4)F,
,Family. Representative Entry is ,5JQ1,,,,,,,
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,ZPF:B:1003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O,
,,,ZPF:A:1004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(CO[C@H]1O2)CO)O)O,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,5JPV,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,GLC GAL:C:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,1MR3,,,,,,,
,,,EDO:F:2065,invalid,,,,,C(CO)O,
,,,EDO:F:2067,invalid,,,,,C(CO)O,
,,,EDO:F:2069,invalid,,,,,C(CO)O,
,,,EDO:F:2071,invalid,,,,,C(CO)O,
,,,EDO:F:2072,invalid,,,,,C(CO)O,
,,,EDO:F:2073,invalid,,,,,C(CO)O,
,,,EDO:F:2074,invalid,,,,,C(CO)O,
,,,EDO:F:2075,invalid,,,,,C(CO)O,
,,,EDO:F:2076,invalid,,,,,C(CO)O,
,,,EDO:F:2077,invalid,,,,,C(CO)O,
,,,EOH:F:2046,invalid,,,,,CCO,
,,,EOH:F:2047,invalid,,,,,CCO,
,,,EOH:F:2048,invalid,,,,,CCO,
,,,EOH:F:2049,invalid,,,,,CCO,
,,,G3D:F:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,GOL:F:950,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:954,invalid,,,,,C(C(CO)O)O,
,,,MG:F:801,Part of Protein,,,,,[Mg+2],
,,,PDO:F:2008,invalid,,,,,C(CO)CO,
,,,PDO:F:2009,invalid,,,,,C(CO)CO,
,Family. Representative Entry is ,1XKW,,,,,,,
,,,188:A:1001,valid,,,,,C[N@@]12[C@H]3CS[C@@H]1[C@H]4CSC5=[N]4[Fe]2(Oc6c5cccc6)OC3=O,
,,,EDO:A:4001,invalid,,,,,C(CO)O,
,,,LDA:A:2001,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:2002,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:2003,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:2004,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:2005,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3004,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5X2N,,,,,,,
,,,NA:A:961,Part of Protein,,,,,[Na+],
,,,NA:C:961,Part of Protein,,,,,[Na+],
,,,ALA:D:951,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:A:951,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:B:951,valid,,,,,C[C@@H](C(=O)O)N,
,,,ALA:C:951,valid,,,,,C[C@@H](C(=O)O)N,
,,,NAG:C:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:D:971,invalid,,,,,[Cl-],
,,,CL:B:971,invalid,,,,,[Cl-],
,,5X2M,,,,,,,
,,,NAG:C:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:907,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:903,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:905,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:904,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:906,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:902,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLN:B:951,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:A:951,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:C:951,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:D:951,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,NA:C:961,Part of Protein,,,,,[Na+],
,,,NA:A:961,Part of Protein,,,,,[Na+],
,,,NA:D:961,Part of Protein,,,,,[Na+],
,,,CL:B:971,invalid,,,,,[Cl-],
,,,CL:D:971,invalid,,,,,[Cl-],
,,,CA:L:971,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1CX4,,,,,,,
,,,CMP:A:440,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,4JVA,,,,,,,
,,,1OR:A:501,valid,,,,,CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O,
,,,1OR:A:502,valid,,,,,CCCN(CCC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O,
,Family. Representative Entry is ,4LSJ,,,,,,,
,,,LSJ:A:801,valid,Ki,=,0.268,nM,CC/C(=C/1c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C,
,,,LSJ:A:802,valid,Ki,=,0.268,nM,CC/C(=C/1c2ccccc2OCc3c1c(ccc3)OC)/c4cccc(c4)NS(=O)(=O)C,
,Family. Representative Entry is ,6FU4,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,HSM:A:401,valid,Kd,=,639,nM,c1c(nc[nH]1)CCN,
,,,HSM:D:401,valid,Kd,=,639,nM,c1c(nc[nH]1)CCN,
,,,HSM:B:401,valid,Kd,=,639,nM,c1c(nc[nH]1)CCN,
,,,HSM:C:401,valid,Kd,=,639,nM,c1c(nc[nH]1)CCN,
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:C:404,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4ZJS,,,,,,,
,,,4P0:B:301,valid,,,,,CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,
,,,4P0:D:301,valid,,,,,CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,
,,,4P0:E:301,valid,,,,,CC(=O)C1=CCC[C@@H]2CC[C@H]1N2,
,Family. Representative Entry is ,4COV,,,,,,,
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,CA:A:1269,Part of Protein,,,,,[Ca+2],
,,,GAL GLA:B:1,valid,Kd,=,4.4,uM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,4COU,,,,,,,
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4COZ,,,,,,,
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:1273,invalid,,,,,CC(=O)[O-],
,,,NAG GAL:B:1,valid,Kd,=,14.82,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,4COW,,,,,,,
,,,ACT:A:1272,invalid,,,,,CC(=O)[O-],
,,,CA:A:1269,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1273,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1274,invalid,,,,,C(C(CO)O)O,
,,,NGA GAL:B:1,valid,Kd,=,5.15,uM,,
,,4COY,,,,,,,
,,,CA:A:1270,Part of Protein,,,,,[Ca+2],
,,,ACT:A:1273,invalid,,,,,CC(=O)[O-],
,,,NAG GAL:B:1,valid,Kd,=,9.42,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5KVM,,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:900,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,THR TYR PHE ALA VAL LEU MET VAL SER:B:383,valid,,,,,,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1EWK,,,,,,,
,,,EPE:A:901,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:902,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:903,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLU:A:701,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,NAG:A:801,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:803,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:804,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4MS4,,,,,,,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,2C0:A:501,valid,,,,,c1cc(ccc1[C@@H](CC(=O)O)CN)Cl,
,,4MR7,,,,,,,
,,,NAG NAG FUC MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUC MAN:D:1,invalid,,,,,,
,,,2BV:A:501,valid,,,,,C[C@@H](c1ccc(c(c1)Cl)Cl)NC[C@@H](CP(=O)(CC2CCCCC2)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4MQF,,,,,,,
,,,2BQ:A:501,valid,,,,,c1cc(ccc1[C@](CN)(CS(=O)(=O)O)O)Cl,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC MAN:D:1,invalid,,,,,,
,,,NAG NAG FUC MAN MAN MAN:C:1,invalid,,,,,,
,,4MS1,,,,,,,
,,,NAG NAG MAN BMA:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,381:A:501,valid,,,,,C1CCC(CC1)CP(=O)(CCCN)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4MR8,,,,,,,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,2BW:A:507,valid,,,,,CCOC(OCC)P(=O)(CCCN)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC BMA BMA:C:1,invalid,,,,,,
,,4MS3,,,,,,,
,,,ABU:A:501,valid,,,,,C(CC(=O)O)CN,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4MR9,,,,,,,
,,,NAG NAG FUC MAN:C:1,invalid,,,,,,
,,,2BX:A:501,valid,,,,,CC1(CO[C@H](CN1)CC(=O)O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1GWN,,,,,,,
,,,GTP:A:1201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:1201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,MG:C:1202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5C1M,,,,,,,
,,,4VO:A:401,valid,Ki,=,16,pM,C[C@@]12C[C@@]34C=C[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N[C@H]2c7ccccc7)OC,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,P6G:A:407,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,CLR:A:404,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,OLC:A:403,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:402,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,1FHW,,,,,,,
,,,I5P:A:1001,valid,Kd,=,0.33,uM,C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,I5P:B:1002,valid,Kd,=,0.33,uM,C1([C@@H]([C@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,SO4:B:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FGY,,,,,,,
,,,4IP:A:1101,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1YTV,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1NTV,,,,,,,
,,,ASN PHE ASP ASN PRO VAL TYR ARG LYS THR:B:5,valid,,,,,,
,,,PO4:A:200,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OQN,,,,,,,
,,,ASN GLY TYR GLU ASN PRO THR TYR LYS:C:1501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)N)Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C)Cc1ccc(O)cc1)CCCC[NH3+],
,,,ASN GLY TYR GLU ASN PRO THR TYR LYS:D:1501,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)N)Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C)Cc1ccc(O)cc1)CCCC[NH3+],
,,,I3P:A:1601,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,I3P:B:1602,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,1NU2,,,,,,,
,,,ASN PHE ASP ASN PRO VAL TYR ARG LYS THR:B:5,valid,,,,,,
,,,I3P:A:200,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5AZ7,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1N7F,,,,,,,
,,,ALA THR VAL ARG THR TYR SER CYS:C:1,valid,,,,,,
,,,ALA THR VAL ARG THR TYR SER CYS:D:1,valid,,,,,,
3.2.1.50,,,,,,,,,
,Family. Representative Entry is ,2VC9,,,,,,,
,,,CA:A:1912,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1911,invalid,,,,,C(C(CO)O)O,
,,,NOK:A:1909,valid,Kd,=,3.6,nM,CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO,
,,2VCA,,,,,,,
,,,CA:A:1917,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1915,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1912,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1916,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4AAX,,,,,,,
,,,CA:A:2494,Part of Protein,,,,,[Ca+2],
,,,NA:A:2495,invalid,,,,,[Na+],
,,,NGA:A:4641,valid,Kd,=,199,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,4A45,,,,,,,
,,,CA:A:2496,Part of Protein,,,,,[Ca+2],
,,,NA:A:2497,Part of Protein,,,,,[Na+],
,,,GAL NGA:B:1,valid,Kd,=,294,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,4A41,,,,,,,
,,,CA:A:2494,Part of Protein,,,,,[Ca+2],
,,,GAL:A:2495,valid,Kd,=,591,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:2496,invalid,,,,,[Na+],
,,,NA:A:2497,invalid,,,,,[Na+],
,,4A44,,,,,,,
,,,CA:A:1501,Part of Protein,,,,,[Ca+2],
,,,NA:A:1503,Part of Protein,,,,,[Na+],
,,,NA:A:1502,Part of Protein,,,,,[Na+],
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,SER A2G:A:1506,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,CIT:A:1505,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
3.5.1.6,,,,,,,,,
,Family. Representative Entry is ,2VL1,,,,,,,
,,,GLY GLY:A:601,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:B:601,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:B:703,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:C:601,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:C:703,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:C:805,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:D:601,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,GLY GLY:D:703,valid,Ki,=,45,mM,O=C([O-])CNC(=O)CN,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,2V8G,,,,,,,
,,,BAL:A:600,valid,,,,,C(CN)C(=O)O,
,,,BAL:D:600,valid,,,,,C(CN)C(=O)O,
,,,BCN:A:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,2V8H,,,,,,,
,,,BCN:A:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:601,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,URP:A:600,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,URP:B:600,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,URP:C:600,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,URP:D:600,valid,,,,,C(CNC(=O)N)C(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
1.13.11.54,,,,,,,,,
,Family. Representative Entry is ,5I8T,,,,,,,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,LAC:A:202,valid,,,,,C[C@H](C(=O)O)O,
,,5I91,,,,,,,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,KMT:A:202,valid,,,,,CSCCC(=O)C(=O)O,
,,5I8S,,,,,,,
,,,LEA:A:202,valid,,,,,CCCCC(=O)O,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,5I8Y,,,,,,,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,KMT:A:202,valid,,,,,CSCCC(=O)C(=O)O,
,,5I93,,,,,,,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,69O:A:202,valid,,,,,CCCC(=O)C(=O)O,
3.7.1.8,,,,,,,,,
,Family. Representative Entry is ,4LXH,,,,,,,
,,,C1E:A:301,valid,,,,,c1ccc(cc1)C(=O)C=CC(=C(/C(=O)O)O)Cl,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,4LXI,,,,,,,
,,,22J:A:301,valid,,,,,c1ccc(c(c1)C(=O)[C@@H](/C=C/C(=O)C(=O)O)F)F,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,4LYE,,,,,,,
,,,HPK:A:301,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,Family. Representative Entry is ,2WUF,,,,,,,
,,,GOL:A:1289,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1290,invalid,,,,,C(C(CO)O)O,
,,,KEM:B:1289,valid,Kd,=,51,uM,C[C@H](C=CC(=O)C(=O)[O-])C(=O)CC[C@@H]1[C@H]2CC[C@@H]([C@]2(CCC1=O)C)O,
,,,SCN:A:1290,invalid,,,,,C(#N)[S-],
,,2WUE,,,,,,,
,,,KEK:B:1289,valid,,,,,C[C@H](C=CC(=O)C(=O)[O-])C(=O)CCc1ccccc1Cl,
,,,SCN:A:1290,invalid,,,,,C(#N)[S-],
,,,SCN:A:1291,invalid,,,,,C(#N)[S-],
,,5JZS,,,,,,,
,,,FGZ:B:1000,valid,ic50,=,0.54,mM,c1c(cc(c(c1Cl)O)Cl)C(=O)O,
,,2WUG,,,,,,,
,,,GOL:B:1291,invalid,,,,,C(C(CO)O)O,
,,,HPK:A:1290,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,,,HPK:B:1290,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,,,SCN:A:1291,invalid,,,,,C(#N)[S-],
,,5JZB,,,,,,,
,,,6OT:B:301,valid,ic50,=,0.41,mM,c1c(cc(cc1Cl)Cl)S(=O)(=O)N,
,,,6OT:A:301,valid,ic50,=,0.41,mM,c1c(cc(cc1Cl)Cl)S(=O)(=O)N,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2RHW,,,,,,,
,,,C0E:A:288,valid,,,,,c1cc(ccc1C(=O)C=CC(=C(C(=O)O)O)F)F,
,,,MLI:A:2,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:287,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:1,invalid,,,,,[Na+],
,,3V1M,,,,,,,
,,,HPK:A:288,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,,,MLI:A:287,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,3V1K,,,,,,,
,,,MLA:A:287,valid,,,,,C(C(=O)O)C(=O)O,
,,2PUH,,,,,,,
,,,HPK:A:289,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,,,MLI:A:288,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:287,invalid,,,,,[Na+],
,,2PUJ,,,,,,,
,,,HPZ:A:289,valid,,,,,c1ccc(cc1)C(=O)C=CC=C(/C(=O)O)O,
,,,MLI:A:288,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:287,invalid,,,,,[Na+],
,,2RHT,,,,,,,
,,,C1E:A:287,valid,,,,,c1ccc(cc1)C(=O)C=CC(=C(/C(=O)O)O)Cl,
,,,MLI:A:288,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:1,invalid,,,,,[Na+],
,,3V1N,,,,,,,
,,,BEZ:A:288,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,HPK:A:289,valid,,,,,c1ccc(cc1)C(=O)CC=CC(=O)C(=O)[O-],
,,,MLA:A:287,invalid,,,,,C(C(=O)O)C(=O)O,
1.1.3.7,,,,,,,,,
,Family. Representative Entry is ,5OC1,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ANN:A:601,valid,,,,,COc1ccc(cc1)C(=O)O,
1.3.1.12,,,,,,,,,
,Family. Representative Entry is ,3GGO,,,,,,,
,,,ENO:B:3168,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,ENO:C:3167,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,NAI:A:2372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:3372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:4372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:1372,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3GGG,,,,,,,
,,,NAD:A:3686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:4686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:5686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:6686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TYR:B:6959,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:C:5959,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,3GGP,,,,,,,
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:B:314,invalid,,,,,[Cl-],
,,,HPP:B:313,valid,,,,,c1cc(ccc1CCC(=O)O)O,
,,,HPP:C:313,valid,,,,,c1cc(ccc1CCC(=O)O)O,
,,,NAD:A:312,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:312,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:312,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:312,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2G5C,,,,,,,
,,,NAD:A:3686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:4686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:5686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:6686,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3B1F,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.2.1.54,,,,,,,,,
,Family. Representative Entry is ,3EDF,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3EDK,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3EDJ,,,,,,,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
1.6.1.2,,,,,,,,,
,Family. Representative Entry is ,2OOR,,,,,,,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:500,valid,Kd,=,300,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:600,valid,Kd,=,300,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TXP:C:400,valid,Kd,=,27,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=C[C@@H](C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1X14,,,,,,,
,,,NAD:B:1395,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1X15,,,,,,,
,,,NAD:B:1395,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1DJL,,,,,,,
,,,GOL:A:1137,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2137,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1136,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2136,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1138,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2138,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PT9,,,,,,,
,,,GOL:A:220,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:230,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,,TAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=S)N,
,,1U31,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:420,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1NM5,,,,,,,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:400,valid,Kd,=,20,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,Kd,=,20,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAP:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1U28,,,,,,,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAP:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1HZZ,,,,,,,
,,,NAD:A:400,valid,Kd,=,30,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAP:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1U2G,,,,,,,
,,,APR:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,NDP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2FSV,,,,,,,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:600,valid,Kd,~,20,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAP:C:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1PNO,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1PNQ,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.14.13.8,,,,,,,,,
,Family. Representative Entry is ,2XVF,,,,,,,
,,,FAD:A:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1446,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:1448,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1447,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,4USR,,,,,,,
,,,FAD:A:1355,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1356,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2XVE,,,,,,,
,,,FAD:B:465,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:465,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:469,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:467,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:465,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:466,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:467,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:466,invalid,,,,,[N+](=O)([O-])[O-],
,,2XVJ,,,,,,,
,,,FAD:A:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1447,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IND:A:1450,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:B:1449,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,IND:C:1450,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,MES:B:1450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NO3:A:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1448,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,OXY:A:1451,invalid,,,,,O=O,
,,,OXY:B:1451,invalid,,,,,O=O,
,,,OXY:C:1451,invalid,,,,,O=O,
,,2XVI,,,,,,,
,,,FAD:A:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:1450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1450,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NO3:A:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:1449,invalid,,,,,[N+](=O)([O-])[O-],
,,,OXY:A:1451,invalid,,,,,O=O,
,,,OXY:B:1451,invalid,,,,,O=O,
,,,OXY:C:1450,invalid,,,,,O=O,
,,2XLT,,,,,,,
,,,EPE:A:1457,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1457,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:1453,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA0:A:501,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O,
,,,NA0:B:501,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O,
,,,NA0:C:501,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O,
,,,NA0:D:501,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O,
,,,PEG:A:1453,invalid,,,,,C(COCCO)O,
,,,PEG:A:1454,invalid,,,,,C(COCCO)O,
,,,PEG:A:1455,invalid,,,,,C(COCCO)O,
,,,PEG:A:1456,invalid,,,,,C(COCCO)O,
,,,PEG:B:1453,invalid,,,,,C(COCCO)O,
,,,PEG:B:1454,invalid,,,,,C(COCCO)O,
,,,PEG:B:1455,invalid,,,,,C(COCCO)O,
,,,PEG:B:1456,invalid,,,,,C(COCCO)O,
,,,PEG:C:1453,invalid,,,,,C(COCCO)O,
,,,PEG:C:1454,invalid,,,,,C(COCCO)O,
,,,PEG:C:1455,invalid,,,,,C(COCCO)O,
,,,PEG:D:1454,invalid,,,,,C(COCCO)O,
,,,PEG:D:1455,invalid,,,,,C(COCCO)O,
,,,PEG:D:1456,invalid,,,,,C(COCCO)O,
,,,PEG:D:1457,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4USQ,,,,,,,
,,,FAD:F:1360,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:1361,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.1.1.18,,,,,,,,,
,Family. Representative Entry is ,4L8V,,,,,,,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,3NT4,,,,,,,
,,,INS:A:801,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:802,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,NAI:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3NT2,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAI:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
3.4.11.21,,,,,,,,,
,Family. Representative Entry is ,4DYO,,,,,,,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,SD4:A:504,valid,,,,,C([C@@H](C(=O)O)N)C(=O)NO,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
1.14.11.18,,,,,,,,,
,Family. Representative Entry is ,2A1X,,,,,,,
,,,AKG:A:451,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:450,Part of Protein,,,,,[Fe+2],
3.1.3.24,,,,,,,,,
,Family. Representative Entry is ,2B1Q,,,,,,,
,,,MG:A:245,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,Ki,=,26,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2D2V,,,,,,,
,,,MG:A:246,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,Ki,=,100,mM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1TJ5,,,,,,,
,,,MG:A:247,Part of Protein,,,,,[Mg+2],
,,,MG:A:248,Part of Protein,,,,,[Mg+2],
,,,PO4:A:246,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,2B1R,,,,,,,
,,,MG:A:246,Part of Protein,,,,,[Mg+2],
,,,BGC BGC:B:1,valid,Ki,=,101,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,1U2S,,,,,,,
,,,GLC:A:245,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:246,Part of Protein,,,,,[Mg+2],
3.1.1.24,,,,,,,,,
,Family. Representative Entry is ,2XUA,,,,,,,
,,,SHF:H:1265,valid,,,,,CC(=O)CCC(=O)O,
1.3.99.4,,,,,,,,,
,Family. Representative Entry is ,4C3Y,,,,,,,
,,,FAD:H:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ANB:H:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:E:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:C:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:G:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:F:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:B:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:D:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,ANB:A:601,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,PG4:B:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:E:561,Part of Protein,,,,,[Na+],
,,,NA:G:561,Part of Protein,,,,,[Na+],
,,,NA:A:561,Part of Protein,,,,,[Na+],
,,,NA:C:561,Part of Protein,,,,,[Na+],
,,4C3X,,,,,,,
,,,CL:A:571,invalid,,,,,[Cl-],
,,,CL:F:571,invalid,,,,,[Cl-],
,,,CL:H:571,invalid,,,,,[Cl-],
,,,CL:C:571,invalid,,,,,[Cl-],
,,,CL:D:571,invalid,,,,,[Cl-],
,,,CL:E:571,invalid,,,,,[Cl-],
,,,CL:B:571,invalid,,,,,[Cl-],
,,,CL:G:571,invalid,,,,,[Cl-],
,,,PG4:A:583,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:H:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:583,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:582,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:584,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:581,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:E:561,Part of Protein,,,,,[Na+],
,,,NA:C:561,Part of Protein,,,,,[Na+],
,,,NA:G:561,Part of Protein,,,,,[Na+],
,,,NA:A:561,Part of Protein,,,,,[Na+],
,,,FAD:F:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:551,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GLC FRU:N:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:O:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:M:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:T:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:I:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:S:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:R:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:J:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:L:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:K:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:Q:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:P:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
1.13.11.11,,,,,,,,,
,Family. Representative Entry is ,6PYZ,,,,,,,
,,,ZIQ:B:403,valid,,,,,C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N,
,,,ZIQ:D:403,valid,,,,,C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N,
,,,ZIQ:A:403,valid,,,,,C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N,
,,,ZIQ:C:403,valid,,,,,C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N,
,,,H7S:D:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:C:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:A:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:B:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5TI9,,,,,,,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:401,invalid,,,,,O=O,
,,,OXY:B:401,invalid,,,,,O=O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NFK:C:402,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O,
,,,NFK:D:402,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O,
,,6PYY,,,,,,,
,,,H7S:D:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:D:403,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:C:403,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:C:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:A:403,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:A:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:B:402,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,H7S:B:403,valid,ic50,=,424,uM,c1cc2c(cc1F)c(c[nH]2)[C@@H]3CC(=O)NC3=O,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,2NW9,,,,,,,
,,,FT6:A:307,valid,,,,,c1cc2c(cc1F)[nH]cc2C[C@@H](C(=O)O)N,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MN:B:307,Part of Protein,,,,,[Mn+2],
,,,MN:B:308,Part of Protein,,,,,[Mn+2],
,,3BK9,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TRP:A:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,3E08,,,,,,,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TRP:A:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:C:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:E:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:F:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:G:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:402,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:H:403,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
5.3.99.4,,,,,,,,,
,Family. Representative Entry is ,3B6H,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MXD:A:551,valid,Kd,=,3.4,uM,c1c([n+](c(nc1N2CCCCC2)N)[O-])N,
,,,MXD:B:551,valid,Kd,=,3.4,uM,c1c([n+](c(nc1N2CCCCC2)N)[O-])N,
,Family. Representative Entry is ,3B99,,,,,,,
,,,HEM:A:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:600,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,U51:A:700,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
,,,U51:A:701,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
,,,U51:A:702,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
,,,U51:B:700,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
,,,U51:B:701,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
,,,U51:B:702,valid,Kd,=,1.9,uM,CCCCCC/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CC=CCCCC(=O)O)N=N2,
2.4.1.68,,,,,,,,,
,Family. Representative Entry is ,6X5H,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:D:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,GDP:A:601,valid,Ki,=,3.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:601,valid,Ki,=,3.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:601,valid,Ki,=,3.6,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6X5T,,,,,,,
,,,NAG NAG BMA MAN NAG:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN NAG:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN NAG:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN NAG:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,GDP:F:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:G:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:H:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:750,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:751,invalid,,,,,C(C(CO)O)O,
,,6X5R,,,,,,,
,,,EDO:B:753,invalid,,,,,C(CO)O,
,,,EDO:A:751,invalid,,,,,C(CO)O,
,,,EDO:A:752,invalid,,,,,C(CO)O,
,,,EDO:B:751,invalid,,,,,C(CO)O,
,,,GDP:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG:C:700,valid,,,,,O=C(NC1C(NC(=O)C)C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(O)C(OC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)C(CO)O2)C(CO)O1)CC(N)C=O,
,,,ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG:D:700,valid,,,,,O=C(NC1C(NC(=O)C)C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(O)C(OC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)C(CO)O2)C(CO)O1)CC(N)C=O,
,,,MN:B:800,Part of Protein,,,,,[Mn+2],
,,,MN:A:800,Part of Protein,,,,,[Mn+2],
,,,GOL:B:752,invalid,,,,,C(C(CO)O)O,
,,6VLG,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:C:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PGE:D:602,invalid,,,,,C(COCCOCCO)O,
,,,PG4:C:602,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,6VLD,,,,,,,
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN MAN NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GDP:A:609,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:609,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6TKV,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAG NAG BMA MAN MAN NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
2.7.4.6,,,,,,,,,
,Family. Representative Entry is ,1F3F,,,,,,,
,,,D4D:B:163,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)OP(=O)(O)O,
,,,D4T:B:161,valid,Kd,=,21.3,uM,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O,
,,,D4T:A:160,valid,Kd,=,21.3,uM,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O,
,,,D4T:C:164,valid,Kd,=,21.3,uM,CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O,
,,,MG:B:166,invalid,,,,,[Mg+2],
,,,MG:A:165,invalid,,,,,[Mg+2],
,,,MG:C:167,invalid,,,,,[Mg+2],
,,,PO4:B:162,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1F6T,,,,,,,
,,,MG:A:163,invalid,,,,,[Mg+2],
,,,MG:B:164,invalid,,,,,[Mg+2],
,,,MG:C:165,invalid,,,,,[Mg+2],
,,,TBD:A:160,valid,,,,,[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O,
,,,TBD:B:161,valid,,,,,[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O,
,,,TBD:C:162,valid,,,,,[BH3-][P@@+](O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)O)OP(=O)(O)O,
,,1NDP,,,,,,,
,,,ADP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:161,invalid,,,,,[Mg+2],
,,3FKB,,,,,,,
,,,EDO:A:157,invalid,,,,,C(CO)O,
,,,EDO:B:157,invalid,,,,,C(CO)O,
,,,EDO:D:158,invalid,,,,,C(CO)O,
,,,EDO:F:157,invalid,,,,,C(CO)O,
,,,EDO:F:158,invalid,,,,,C(CO)O,
,,,GOL:C:157,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:157,invalid,,,,,C(C(CO)O)O,
,,,MG:A:156,invalid,,,,,[Mg+2],
,,,MG:F:156,invalid,,,,,[Mg+2],
,,,TNM:A:160,valid,,,,,C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O,
,,,TNM:F:160,valid,,,,,C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O,
,,,TNM MG:B:160,valid,,,,,P(=O)(OP(=O)([O-])COC(Cn1c2ncnc(N)c2nc1)C)([O-])[O-].[Mg+2],
,,,TNM MG:C:160,valid,,,,,P(=O)(OP(=O)([O-])COC(Cn1c2ncnc(N)c2nc1)C)([O-])[O-].[Mg+2],
,,,TNM MG:E:160,valid,,,,,P(=O)(OP(=O)([O-])COC(Cn1c2ncnc(N)c2nc1)C)([O-])[O-].[Mg+2],
,,,TNV MG:D:160,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OP(=O)([O-])COC(Cn1c2ncnc(N)c2nc1)C)[O-].[Mg+2],
,,1KDN,,,,,,,
,,,ADP:A:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:C:157,invalid,,,,,F[Al](F)F,
,,,AF3:A:157,invalid,,,,,F[Al](F)F,
,,,AF3:B:157,invalid,,,,,F[Al](F)F,
,,,MG:C:156,invalid,,,,,[Mg+2],
,,,MG:A:156,invalid,,,,,[Mg+2],
,,,MG:B:156,invalid,,,,,[Mg+2],
,,1LWX,,,,,,,
,,,AZD:A:156,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-],
,,,AZD:B:156,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-],
,,,AZD:C:156,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)N=[N+]=[N-],
,,,MG:A:157,invalid,,,,,[Mg+2],
,,,MG:C:157,invalid,,,,,[Mg+2],
,,1NDC,,,,,,,
,,,MG:A:161,invalid,,,,,[Mg+2],
,,,TYD:A:160,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,2BEF,,,,,,,
,,,BEF ADP:A:157,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,BEF ADP:B:157,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,BEF ADP:C:157,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,MG:A:156,invalid,,,,,[Mg+2],
,,,MG:B:156,invalid,,,,,[Mg+2],
,,,MG:C:156,invalid,,,,,[Mg+2],
,,4CP5,,,,,,,
,,,EOI:A:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,,EOI:F:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,,EOI:E:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,,EOI:D:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,,EOI:C:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,,EOI:B:1156,valid,Kd,=,452,uM,C[C@H](Cn1cnc2c1ncnc2N)OC[P@@](=O)(OP(=O)(O)OP(=O)(O)O)S,
,,1B4S,,,,,,,
,,,ADP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:162,invalid,,,,,[Mg+2],
,,,MG:B:162,invalid,,,,,[Mg+2],
,,,MG:C:162,invalid,,,,,[Mg+2],
,,,PO4:A:161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1S5Z,,,,,,,
,,,PO4:C:1161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SON:A:1160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)CP(=O)(O)O)O)O)N,
,,1MN7,,,,,,,
,,,ABT:A:1160,valid,,,,,B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O,
,,,ABT:B:2160,valid,,,,,B=P(O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])O[P@](=O)(O)OP(=O)(O)O,
,,,MG:A:1165,invalid,,,,,[Mg+2],
,,,MG:B:2165,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3EM1,,,,,,,
,,,MG:A:142,invalid,,,,,[Mg+2],
,,,MG:B:142,invalid,,,,,[Mg+2],
,,,TYD:A:143,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:143,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3EVO,,,,,,,
,,,MG:A:142,invalid,,,,,[Mg+2],
,,,MG:B:142,invalid,,,,,[Mg+2],
,,,TYD:A:160,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:161,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3ELH,,,,,,,
,,,DUD:A:160,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:B:161,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:C:162,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:D:163,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:E:164,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:F:165,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:161,invalid,,,,,[Mg+2],
,,,MG:B:162,invalid,,,,,[Mg+2],
,,,MG:C:163,invalid,,,,,[Mg+2],
,,,MG:D:164,invalid,,,,,[Mg+2],
,,,MG:E:165,invalid,,,,,[Mg+2],
,,,MG:F:166,invalid,,,,,[Mg+2],
,,3GP9,,,,,,,
,,,GDP:A:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:140,Part of Protein,,,,,[Mg+2],
,,,MG:B:140,Part of Protein,,,,,[Mg+2],
,,,MG:C:140,Part of Protein,,,,,[Mg+2],
,,,MG:D:140,Part of Protein,,,,,[Mg+2],
,,,MG:E:140,Part of Protein,,,,,[Mg+2],
,,,MG:F:140,Part of Protein,,,,,[Mg+2],
,,,PO4:A:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:139,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3EJM,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,3FBB,,,,,,,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:C:202,invalid,,,,,[Mg+2],
,,,MG:D:202,invalid,,,,,[Mg+2],
,,,MG:E:202,invalid,,,,,[Mg+2],
,,,MG:F:202,invalid,,,,,[Mg+2],
,,,UDP:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:E:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3EMT,,,,,,,
,,,DGI:A:201,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:B:201,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,3FCV,,,,,,,
,,,DUD:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,DUD:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,3EIC,,,,,,,
,,,MG:B:161,invalid,,,,,[Mg+2],
,,,MG:C:162,invalid,,,,,[Mg+2],
,,,MG:D:163,invalid,,,,,[Mg+2],
,,,MG:E:164,invalid,,,,,[Mg+2],
,,,MG:F:165,invalid,,,,,[Mg+2],
,,,MG:A:160,invalid,,,,,[Mg+2],
,,,UDP:A:161,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:162,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:163,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:164,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:E:165,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:166,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3EVM,,,,,,,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,YYY:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O,
,,,YYY:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O,
,,3B6B,,,,,,,
,,,DGI:A:139,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:C:141,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:E:143,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:F:144,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:B:140,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:D:142,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:138,invalid,,,,,[Mg+2],
,,,MG:C:138,invalid,,,,,[Mg+2],
,,,MG:E:138,invalid,,,,,[Mg+2],
,,,MG:F:138,invalid,,,,,[Mg+2],
,,,MG:B:138,invalid,,,,,[Mg+2],
,,,MG:D:138,invalid,,,,,[Mg+2],
,,3FCW,,,,,,,
,,,MG:A:160,invalid,,,,,[Mg+2],
,,,MG:B:161,invalid,,,,,[Mg+2],
,,,MG:C:162,invalid,,,,,[Mg+2],
,,,MG:D:163,invalid,,,,,[Mg+2],
,,,MG:E:164,invalid,,,,,[Mg+2],
,,,MG:F:165,invalid,,,,,[Mg+2],
,,,UDP:A:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:E:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:138,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2B8Q,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:D:204,Part of Protein,,,,,[Mg+2],
,,,MG:E:206,Part of Protein,,,,,[Mg+2],
,,,MG:F:205,Part of Protein,,,,,[Mg+2],
,,,PO4:C:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TYD:A:160,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:161,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:162,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:163,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:164,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:F:165,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3DKD,,,,,,,
,,,GDP:A:143,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:143,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:142,invalid,,,,,[Mg+2],
,,,MG:B:142,invalid,,,,,[Mg+2],
,,3DDI,,,,,,,
,,,MG:A:142,invalid,,,,,[Mg+2],
,,,MG:B:142,invalid,,,,,[Mg+2],
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3FBE,,,,,,,
,,,GDP:A:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:138,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:160,Part of Protein,,,,,[Mg+2],
,,,MG:C:162,Part of Protein,,,,,[Mg+2],
,,,MG:D:163,Part of Protein,,,,,[Mg+2],
,,,MG:E:164,Part of Protein,,,,,[Mg+2],
,,,MG:F:165,Part of Protein,,,,,[Mg+2],
,,3ETM,,,,,,,
,,,CDP:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,3GPA,,,,,,,
,,,CDP:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:F:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,MG:C:202,invalid,,,,,[Mg+2],
,,,MG:D:202,invalid,,,,,[Mg+2],
,,,MG:E:202,invalid,,,,,[Mg+2],
,,,MG:F:202,invalid,,,,,[Mg+2],
,,,PO4:A:138,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ENA,,,,,,,
,,,DGI:A:201,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGI:B:201,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,3EE3,,,,,,,
,,,CDP:A:160,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:162,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:163,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:164,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:F:165,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP MG:B:161,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)[O-].[Mg+2],
,,,MG:A:161,invalid,,,,,[Mg+2],
,,,MG:C:163,invalid,,,,,[Mg+2],
,,,MG:D:164,invalid,,,,,[Mg+2],
,,,MG:E:165,invalid,,,,,[Mg+2],
,,,MG:F:166,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3NGU,,,,,,,
,,,ADP:A:152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3Q8U,,,,,,,
,,,ADP:A:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:158,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:159,Part of Protein,,,,,[Mg+2],
,,,MG:B:159,Part of Protein,,,,,[Mg+2],
,,,MG:D:159,Part of Protein,,,,,[Mg+2],
,,,MG:E:159,Part of Protein,,,,,[Mg+2],
,,,MG:F:159,Part of Protein,,,,,[Mg+2],
,,3Q86,,,,,,,
,,,GTP MG:A:158,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,GTP MG:B:158,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,3Q8V,,,,,,,
,,,MG:A:159,Part of Protein,,,,,[Mg+2],
,,,MG:B:159,Part of Protein,,,,,[Mg+2],
,,,MG:D:159,Part of Protein,,,,,[Mg+2],
,,,UDP:A:158,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:158,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:158,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1WKL,,,,,,,
,,,ADP:A:646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:856,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:900,Part of Protein,,,,,[Mg+2],
,,,PHS:A:138,invalid,,,,,OP(=O)O,
,Family. Representative Entry is ,1ZS6,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6XPS,,,,,,,
,,,MG:C:202,invalid,,,,,[Mg+2],
,,,MG:A:202,invalid,,,,,[Mg+2],
,,,MG:B:202,invalid,,,,,[Mg+2],
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6XPV,,,,,,,
,,,TYD:E:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:G:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:H:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,6XPW,,,,,,,
,,,CDP:B:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,PO4:C:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6XPU,,,,,,,
,,,MG:A:201,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,IDP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O,
,,,IDP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O,
,,,IDP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O,
,,6XPT,,,,,,,
,,,UDP:E:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:G:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:H:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:G:201,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,6XP7,,,,,,,
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4UOH,,,,,,,
,,,ADP:C:1152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:1153,invalid,,,,,[Mg+2],
,,4UOG,,,,,,,
,,,YYY:A:1152,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O,
,,,YYY:C:1152,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O,
,,,YYY:B:1152,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:1153,invalid,,,,,[Mg+2],
,,,MG:B:1153,invalid,,,,,[Mg+2],
,,,MG:C:1153,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2AZ3,,,,,,,
,,,CDP:A:1100,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:1200,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:1300,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:1400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:E:1500,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:F:1600,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:G:1700,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:H:1800,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:I:1900,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1NHK,,,,,,,
,,,CMP:L:146,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:R:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1NLK,,,,,,,
,,,ADP:L:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:R:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:L:146,invalid,,,,,[Mg+2],
,,,MG:R:146,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1UCN,,,,,,,
,,,ADP:A:1160,valid,Kd,=,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2160,valid,Kd,=,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:3160,valid,Kd,=,6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1162,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:2162,Part of Protein,,,,,[Ca+2],
,,,CA:C:1001,Part of Protein,,,,,[Ca+2],
,,,CA:C:3162,Part of Protein,,,,,[Ca+2],
,,,PO4:A:1161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3161,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TRS:B:1003,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1BE4,,,,,,,
,,,PCG:A:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:C:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,3BBB,,,,,,,
,,,DA:C:153,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,DA:E:153,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,DG:B:153,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DG:C:154,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DG:E:154,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DG:F:153,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,1NUE,,,,,,,
,,,GDP:A:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:161,invalid,,,,,[Mg+2],
,,,MG:C:161,invalid,,,,,[Mg+2],
,,1BHN,,,,,,,
,,,35G:A:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:B:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:C:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:D:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:E:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,35G:F:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,GDP:A:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2HVD,,,,,,,
,,,ADP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3BBF,,,,,,,
,,,DTT:B:162,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:F:162,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GDP:A:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:160,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:161,invalid,,,,,[Mg+2],
,,,MG:B:161,invalid,,,,,[Mg+2],
,,,MG:C:161,invalid,,,,,[Mg+2],
,,,MG:D:161,invalid,,,,,[Mg+2],
,,,MG:E:161,invalid,,,,,[Mg+2],
,,,MG:F:161,invalid,,,,,[Mg+2],
,,2HVE,,,,,,,
,,,ADP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.4.3.6,,,,,,,,,
,Family. Representative Entry is ,2CFD,,,,,,,
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,CU:B:701,Part of Protein,,,,,[Cu+2],
,,,GOL:A:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:726,invalid,,,,,C(C(CO)O)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,NA:B:703,Part of Protein,,,,,[Na+],
,,,R4A:A:705,valid,Ki,=,32,nM,CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,R4A:B:705,valid,Ki,=,32,nM,CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BT3,,,,,,,
,,,CU:A:1629,Part of Protein,,,,,[Cu+2],
,,,GOL:A:1635,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1636,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1637,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1638,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1639,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1640,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1630,Part of Protein,,,,,[Na+],
,,,R4A:A:1631,valid,Ki,=,37,nM,CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,SO4:A:1632,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1633,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1634,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CFK,,,,,,,
,,,CU:A:1629,Part of Protein,,,,,[Cu+2],
,,,GOL:A:1635,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1636,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1637,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1638,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1639,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1640,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1641,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1630,Part of Protein,,,,,[Na+],
,,,R5A:A:1631,valid,,,,,CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2,
,,,R5B:A:1632,valid,,,,,CN(C)c1cccc(c1)OCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2,
,,,SO4:A:1633,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1634,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1642,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CG0,,,,,,,
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:724,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:726,invalid,,,,,C(C(CO)O)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,R9A:A:705,valid,,,,,CN(C)c1cccc(c1)OCCCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2,
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZPS,,,,,,,
,,,HY1:A:703,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:703,valid,,,,,c1ccc(cc1)CC=O,
,,,CU:B:701,Part of Protein,,,,,[Cu+2],
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,2CG1,,,,,,,
,,,11R:A:1631,valid,,,,,CN(C)c1cccc(c1)OCCCCCCCCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,CU:A:1629,Part of Protein,,,,,[Cu+2],
,,,GOL:A:1633,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1634,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1635,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1636,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1630,Part of Protein,,,,,[Na+],
,,,SO4:A:1632,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5ZPQ,,,,,,,
,,,HY1:A:703,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:703,valid,,,,,c1ccc(cc1)CC=O,
,,,CU:B:701,Part of Protein,,,,,[Cu+2],
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,5ZPR,,,,,,,
,,,HY1:A:703,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:703,valid,,,,,c1ccc(cc1)CC=O,
,,,CU:B:701,Part of Protein,,,,,[Cu+2],
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,5ZPT,,,,,,,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,,HY1:B:703,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:A:702,valid,,,,,c1ccc(cc1)CC=O,
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,CU:B:701,Part of Protein,,,,,[Cu+2],
,,2CFW,,,,,,,
,,,CU:A:701,Part of Protein,,,,,[Cu+2],
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:724,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:726,invalid,,,,,C(C(CO)O)O,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,R7U:A:705,valid,,,,,CN(C)c1cccc(c1)OCCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2,
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CFG,,,,,,,
,,,CU:A:1628,Part of Protein,,,,,[Cu+2],
,,,CU:B:1630,Part of Protein,,,,,[Cu+2],
,,,GOL:A:1631,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:A:1632,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:A:1633,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:A:1634,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1629,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1634,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1635,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1636,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1637,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1638,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,GOL:B:1639,invalid,Ki,=,36,nM,C(C(CO)O)O,
,,,NA:A:1629,Part of Protein,,,,,[Na+],
,,,NA:B:1631,Part of Protein,,,,,[Na+],
,,,R4A:A:1630,valid,,,,,CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,R4A:B:1632,valid,,,,,CN(C)c1cccc(c1)OCCCCC2=CCN3C4=C5C(=CC=CN5[Ru]367(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=CC24,
,,,SO4:B:1628,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1633,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CFL,,,,,,,
,,,CU:A:1629,Part of Protein,,,,,[Cu+2],
,,,GOL:A:1635,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1636,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1637,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1638,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1639,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1630,Part of Protein,,,,,[Na+],
,,,R6A:A:1631,valid,,,,,CN(C)c1cccc(c1)OCCCCCCC2=C3C=CC4=CC=CN5C4=C3N([Ru]567(N8CCCCC8C9N6CCCC9)N1CCCCC1C1N7CCC=C1)C=C2,
,,,SO4:A:1632,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1633,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1634,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1D6Z,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CU:A:801,Part of Protein,,,,,[Cu+2],
,,,CU:B:801,Part of Protein,,,,,[Cu+2],
,,,GOL:A:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3003,invalid,,,,,C(C(CO)O)O,
,,,HY1:A:2001,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:3001,valid,,,,,c1ccc(cc1)CC=O,
,,,PEA:A:2003,valid,,,,,c1ccc(cc1)CC[NH3+],
,,,PEO:A:2002,invalid,,,,,OO,
,,,PEO:B:3002,invalid,,,,,OO,
,,1D6Y,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CU:A:801,Part of Protein,,,,,[Cu+2],
,,,CU:B:801,Part of Protein,,,,,[Cu+2],
,,,GOL:B:2004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3003,invalid,,,,,C(C(CO)O)O,
,,,HY1:A:2001,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:3001,valid,,,,,c1ccc(cc1)CC=O,
,,,NO:A:2002,invalid,,,,,[N]=O,
,,,NO:B:3002,invalid,,,,,[N]=O,
,,,PEA:A:2003,valid,,,,,c1ccc(cc1)CC[NH3+],
,,1D6U,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CU:A:801,Part of Protein,,,,,[Cu+2],
,,,CU:B:801,Part of Protein,,,,,[Cu+2],
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3002,invalid,,,,,C(C(CO)O)O,
,,,HY1:A:2001,valid,,,,,c1ccc(cc1)CC=O,
,,,HY1:B:3001,valid,,,,,c1ccc(cc1)CC=O,
,,,PEA:A:2003,valid,,,,,c1ccc(cc1)CC[NH3+],
,Family. Representative Entry is ,2PNC,,,,,,,
,,,CA:A:805,Part of Protein,,,,,[Ca+2],
,,,CA:A:806,Part of Protein,,,,,[Ca+2],
,,,CA:B:805,Part of Protein,,,,,[Ca+2],
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
,,,CL:A:807,invalid,,,,,[Cl-],
,,,CL:B:807,invalid,,,,,[Cl-],
,,,CL:B:808,invalid,,,,,[Cl-],
,,,CLU:A:808,valid,Ki,=,466,uM,c1cc(c(c(c1)Cl)N=C2NCCN2)Cl,
,,,CLU:B:809,valid,Ki,=,466,uM,c1cc(c(c(c1)Cl)N=C2NCCN2)Cl,
,,,CU:A:804,Part of Protein,,,,,[Cu+2],
,,,CU:B:804,Part of Protein,,,,,[Cu+2],
,,,NAG NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
3.4.23.45,,,,,,,,,
,Family. Representative Entry is ,3ZKN,,,,,,,
,,,WZV:A:1398,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,,,WZV:B:1398,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:H:1218,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1218,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1399,invalid,,,,,CS(=O)C,
,,,DMS:B:1399,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3ZKI,,,,,,,
,,,WZV:A:1398,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,,,WZV:B:1398,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,Family. Representative Entry is ,6JSZ,,,,,,,
,,,C7O:A:401,valid,ic50,=,1.9,nM,C[C@]1(C2(CCS(=O)(=O)CC2)CSC(=N1)N)c3cc(ccc3F)NC(=O)c4cnc(cn4)OCF,
,,,CL:A:402,invalid,,,,,[Cl-],
,,3ZKS,,,,,,,
,,,WZV:A:1398,valid,,,,,C[C@]1(CC(=O)N(C(=N1)N)C)c2cccc(c2)NC(=O)c3ccc(cn3)OCC(F)(F)F,
,,3ZLQ,,,,,,,
,,,6T9:A:1398,valid,ic50,=,0.904,uM,CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F,
,,,6T9:B:1398,valid,ic50,=,0.904,uM,CCOc1ccc(nc1)C(=O)Nc2ccc(c(c2)[C@@]3(C(COC(=N3)N)(F)F)C)F,
1.5.1.38,,,,,,,,,
,Family. Representative Entry is ,6DQO,,,,,,,
,,,FMN:A:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,4PU0,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4PTZ,,,,,,,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.21.20,,,,,,,,,
,Family. Representative Entry is ,1T32,,,,,,,
,,,OHH:A:901,valid,Ki,=,38,nM,CN(C1CCN(CC1)C(=O)c2ccc3ccccc3c2)C(=O)c4cc5ccccc5cc4C(=O)[C@@H](c6cccc7c6cccc7)P(=O)(O)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
3.6.1.27,,,,,,,,,
,Family. Representative Entry is ,6CB2,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OLC:A:305,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:307,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:308,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:309,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:306,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
1.11.1.14,,,,,,,,,
,Family. Representative Entry is ,6A6Q,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,HEB:A:401,valid,,,,,CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C,
2.4.1.38,,,,,,,,,
,Family. Representative Entry is ,1FGX,,,,,,,
,,,U5P:B:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
1.1.1.34,,,,,,,,,
,Family. Representative Entry is ,2Q6B,,,,,,,
,,,HR2:A:3001,valid,ic50,=,0.3,nM,CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR2:A:3002,valid,ic50,=,0.3,nM,CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR2:C:3003,valid,ic50,=,0.3,nM,CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR2:D:3004,valid,ic50,=,0.3,nM,CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CCZ,,,,,,,
,,,5HI:A:876,valid,Kd,=,51.7,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3,
,,,5HI:B:876,valid,Kd,=,51.7,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3,
,,,5HI:C:876,valid,Kd,=,51.7,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3,
,,,5HI:D:876,valid,Kd,=,51.7,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)N[C@H](CO)c3ccccc3,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CCW,,,,,,,
,,,4HI:B:1,valid,Kd,=,13.5,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3,
,,,4HI:B:2,valid,Kd,=,13.5,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3,
,,,4HI:C:4,valid,Kd,=,13.5,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3,
,,,4HI:D:3,valid,Kd,=,13.5,nM,CC(C)c1c(nc(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)C(=O)NCc3ccccc3,
,,3CDA,,,,,,,
,,,8HI:A:2,valid,Kd,=,26.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,8HI:B:1,valid,Kd,=,26.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,8HI:C:4,valid,Kd,=,26.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,8HI:D:3,valid,Kd,=,26.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccc(cc2)S(=O)(=O)N)c3ccccc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,3CCT,,,,,,,
,,,3HI:B:1,valid,Kd,=,27.4,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O,
,,,3HI:B:2,valid,Kd,=,27.4,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O,
,,,3HI:C:4,valid,Kd,=,27.4,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O,
,,,3HI:D:3,valid,Kd,=,27.4,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O,
,,1HWK,,,,,,,
,,,117:A:2,valid,ic50,=,8,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,
,,,117:B:1,valid,ic50,=,8,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,
,,,117:C:4,valid,ic50,=,8,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,
,,,117:D:3,valid,ic50,=,8,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4,
,,,ADP:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:105,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1DQ8,,,,,,,
,,,COA:A:100,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:101,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:102,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:103,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DTT:B:302,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:301,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MAH:A:200,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:B:201,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:D:202,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:D:203,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,1HWI,,,,,,,
,,,115:A:2,valid,ic50,=,28,nM,CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F,
,,,115:B:1,valid,ic50,=,28,nM,CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F,
,,,115:C:4,valid,ic50,=,28,nM,CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F,
,,,115:D:3,valid,ic50,=,28,nM,CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)O)O)O)c3ccc(cc3)F,
,,,ADP:B:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1HWJ,,,,,,,
,,,116:A:2,valid,ic50,=,10,nM,CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,116:B:1,valid,ic50,=,10,nM,CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,116:C:4,valid,ic50,=,10,nM,CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,116:D:3,valid,ic50,=,10,nM,CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,ADP:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:105,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:106,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3BGL,,,,,,,
,,,RID:A:2,valid,ic50,=,4.5,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4,
,,,RID:B:1,valid,ic50,=,4.5,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4,
,,,RID:C:4,valid,ic50,=,4.5,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4,
,,,RID:D:3,valid,ic50,=,4.5,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccccc3)S(=O)(=O)N4CCOCC4,
,,3CD7,,,,,,,
,,,882:A:1,valid,Kd,=,14.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:A:2,valid,Kd,=,14.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:C:4,valid,Kd,=,14.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:D:3,valid,Kd,=,14.3,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,3CD5,,,,,,,
,,,7HI:A:2,valid,Kd,=,12.7,nM,CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4,
,,,7HI:B:1,valid,Kd,=,12.7,nM,CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4,
,,,7HI:D:3,valid,Kd,=,12.7,nM,CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4,
,,,7HI:D:876,valid,Kd,=,12.7,nM,CCc1c(c2c(n1CC[C@H](C[C@H](CC(=O)O)O)O)CCCCC2)C(=O)Nc3ccc(cc3)c4ccccc4,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q1L,,,,,,,
,,,882:A:876,valid,ic50,=,12.4,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:A:877,valid,ic50,=,12.4,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:C:876,valid,ic50,=,12.4,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,882:D:876,valid,ic50,=,12.4,nM,CC(C)n1c(c(c(c1C(=O)Nc2ccccc2)c3ccc(cc3)F)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,2Q6C,,,,,,,
,,,HR1:A:3002,valid,ic50,=,16.7,nM,CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR1:B:3001,valid,ic50,=,16.7,nM,CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR1:C:3004,valid,ic50,=,16.7,nM,CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,HR1:D:3003,valid,ic50,=,16.7,nM,CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2R4F,,,,,,,
,,,RIE:A:876,valid,ic50,=,1.5,nM,CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,RIE:B:876,valid,ic50,=,1.5,nM,CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,RIE:C:876,valid,ic50,=,1.5,nM,CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,RIE:D:876,valid,ic50,=,1.5,nM,CC(C)c1c(n(nc1C(=O)N(C)[C@H](C)c2ccccc2)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CD0,,,,,,,
,,,6HI:B:1,valid,Kd,=,26.9,nM,CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,6HI:B:2,valid,Kd,=,26.9,nM,CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,6HI:C:4,valid,Kd,=,26.9,nM,CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,6HI:D:3,valid,Kd,=,26.9,nM,CC(C)n1c(c(nc1C(=O)NCc2ccc(cc2)F)c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,1HW9,,,,,,,
,,,ADP:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:105,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SIM:A:4,valid,ic50,=,11,nM,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,,SIM:B:3,valid,ic50,=,11,nM,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,,SIM:C:1,valid,ic50,=,11,nM,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,,SIM:C:2,valid,ic50,=,11,nM,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,,1HW8,,,,,,,
,,,114:A:2,valid,ic50,=,23,nM,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,114:B:1,valid,ic50,=,23,nM,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,114:C:4,valid,ic50,=,23,nM,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,114:D:3,valid,ic50,=,23,nM,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,ADP:B:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3CDB,,,,,,,
,,,9HI:A:1,valid,Kd,=,95.7,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N,
,,,9HI:A:2,valid,Kd,=,95.7,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N,
,,,9HI:C:4,valid,Kd,=,95.7,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N,
,,,9HI:D:3,valid,Kd,=,95.7,nM,CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)S(=O)(=O)Nc4ccc(cc4)C(=O)N,
,,1HWL,,,,,,,
,,,ADP:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FBI:A:2,valid,ic50,=,5,nM,CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,FBI:B:1,valid,ic50,=,5,nM,CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,FBI:C:4,valid,ic50,=,5,nM,CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,,FBI:D:3,valid,ic50,=,5,nM,CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(=O)O)O)O,
,,1DQA,,,,,,,
,,,COA:A:101,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:102,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:103,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:104,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MAH:A:201,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:B:202,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:C:204,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,MAH:D:203,valid,,,,,CC(CC(=O)O)(CC(=O)O)O,
,,,NAP:A:1,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3KH5,,,,,,,
,,,ADP:A:281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:284,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:A:1605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:282,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:285,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LFZ,,,,,,,
,,,ADP:A:282,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:A:284,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ATP:A:281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5WPJ,,,,,,,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5WPK,,,,,,,
,,,HMG:B:502,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,HMG:A:500,valid,,,,,C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O,
,,,PE4:B:505,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:501,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
2.1.1.57,,,,,,,,,
,Family. Representative Entry is ,3ELW,,,,,,,
,,,GP3:A:4634,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N,
,,,SAM:A:4633,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ELU,,,,,,,
,,,SAM:A:4633,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:4634,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4635,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4636,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4637,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EMD,,,,,,,
,,,GTA:A:401,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,SFG:A:293,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ELD,,,,,,,
,,,SFG:A:293,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ELY,,,,,,,
,,,PEG:A:5465,invalid,,,,,C(COCCO)O,
,,,SAH:A:887,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:293,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:294,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:295,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:296,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:297,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3EMB,,,,,,,
,,,GTG:A:4634,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,SAM:A:4633,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:4635,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4636,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4N49,,,,,,,
,,,SAM:A:601,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,NA:A:603,invalid,,,,,[Na+],
,,,MGT:A:602,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3GCZ,,,,,,,
,,,GOL:A:3545,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3546,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3547,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:4633,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3ER9,,,,,,,
,,,3AT:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,GOL:A:880,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:890,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:900,invalid,,,,,C(C(CO)O)O,
,,,U   U  :D:600,valid,,,,,,
,,2GA9,,,,,,,
,,,AGS:D:482,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:483,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CA:D:480,Part of Protein,,,,,[Ca+2],
,,,CA:D:481,Part of Protein,,,,,[Ca+2],
2.1.1.133,,,,,,,,,
,Family. Representative Entry is ,1CBF,,,,,,,
,,,PO4:A:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
4.2.1.151,,,,,,,,,
,Family. Representative Entry is ,6O9A,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,3HB:B:302,valid,,,,,c1cc(cc(c1)O)C(=O)O,
,,,3HB:A:302,valid,,,,,c1cc(cc(c1)O)C(=O)O,
3.6.5.-,,,,,,,,,
,Family. Representative Entry is ,4IDN,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GNP:A:501,valid,Kd,=,5.77,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:501,valid,Kd,=,5.77,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,6B9D,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,6B9E,,,,,,,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6B9F,,,,,,,
,,,GDP ALF:A:506,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:B:506,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,4IDQ,,,,,,,
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GDP ALF:B:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:D:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:C:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:A:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,P6G:C:504,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:504,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:504,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4IDO,,,,,,,
,,,GDP ALF:B:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:A:501,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5VGR,,,,,,,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5UQW,,,,,,,
,,,GDP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,5US4,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,5USJ,,,,,,,
,,,MG:D:1001,Part of Protein,,,,,[Mg+2],
,,,MG:E:1001,Part of Protein,,,,,[Mg+2],
,,,MG:C:1001,Part of Protein,,,,,[Mg+2],
,,,MG:F:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,GNP:B:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:F:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5HCN,,,,,,,
,,,DAO:A:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,GCP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5HCI,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GDP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5KSP,,,,,,,
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,5KSO,,,,,,,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5KSY,,,,,,,
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5GOE,,,,,,,
,,,GDP:A:901,valid,Kd,=,45.7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5GOF,,,,,,,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,GTP:A:901,valid,Kd,=,90.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5KSZ,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,GCP:A:703,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,5KU1,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:704,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6P0I,,,,,,,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,NL7:B:405,invalid,,,,,COc1cc(cnc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O,
,,,NA:B:410,Part of Protein,,,,,[Na+],
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,CA:B:406,Part of Protein,,,,,[Ca+2],
,,6P0O,,,,,,,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,6P0J,,,,,,,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,6P0M,,,,,,,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,NLM:B:501,invalid,,,,,c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O)Cl,
,,,GDP:B:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:503,invalid,,,,,[Cl-],
,,6P0K,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GDP:B:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NLV:B:503,invalid,,,,,c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O,
,,6P0N,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NLS:B:504,invalid,,,,,c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,GDP:B:505,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6P0L,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,GDP:B:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NLJ:B:502,invalid,,,,,COc1c(cccn1)NS(=O)(=O)c2ccc(cc2)S(=O)(=O)O,
,Family. Representative Entry is ,2QTV,,,,,,,
,,,GNP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:210,Part of Protein,,,,,[Mg+2],
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5M04,,,,,,,
,,,GDP:A:401,valid,Kd,=,0.46,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6JFK,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CIT:A:802,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5KUT,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,GDP:C:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
2.5.1.58,,,,,,,,,
,Family. Representative Entry is ,1MZC,,,,,,,
,,,BNE:B:1003,valid,ic50,=,0.06,nM,CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#N)[C@@](C)(c4cncn4C)N,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1SA4,,,,,,,
,,,FPP:B:440,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,JAN:B:441,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N,
,,,ZN:B:439,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4GTM,,,,,,,
,,,7TM:B:503,valid,ic50,=,9.2,nM,CCCCCCNC(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,FPP:B:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,1S63,,,,,,,
,,,778:B:3012,valid,Ki,=,0.9,nM,c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N,
,,,FPP:B:3011,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1TN7,,,,,,,
,,,ACY:A:3004,invalid,,,,,CC(=O)O,
,,,ACY:B:3002,invalid,,,,,CC(=O)O,
,,,FII:B:1,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,LYS LYS SER LYS THR LYS CYS VAL ILE PHE:C:2004,valid,,,,,SCC(NC(=O)C(NC(=O)C(N)C(O)C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccccc1)C(CC)C)C(C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3E30,,,,,,,
,,,ED4:B:1003,valid,,,,,CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3E37,,,,,,,
,,,ED5:B:1,valid,ic50,=,4050,nM,Cc1ccccc1S(=O)(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1LD8,,,,,,,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:A:905,invalid,,,,,CC(=O)O,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,U49:B:1003,valid,ic50,=,3.5,nM,c1cc2ccc3cc2c(c1)N4CCC(C4=O)NCc5cncn5Cc6ccc(c(c6)O3)C#N,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3PZ4,,,,,,,
,,,3PZ:B:429,valid,ic50,=,6,nM,Cn1cncc1CN2C[C@H]([N@@](Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccccc5,
,,,FPP:B:428,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,3KSL,,,,,,,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,SZH:B:438,valid,,,,,C[C@@H](CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)COC(=O)C(C(F)(F)F)NN,
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,3E32,,,,,,,
,,,ED2:B:1003,valid,,,,,Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1JCQ,,,,,,,
,,,739:B:3012,valid,,,,,CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@H](CS)N,
,,,ACY:A:3002,invalid,,,,,CC(=O)O,
,,,FPP:B:3011,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1O1S,,,,,,,
,,,1NH:B:2001,valid,Ki,=,49,nM,C/C(=CCO[P@](=O)(O)OP(=O)(O)O)/CCC=C(/C)COCc1cccc(c1)C(=O)c2ccccc2,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,4GTR,,,,,,,
,,,7TR:B:502,valid,,,,,CCN(CC)C(=O)Oc1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4ccc(cc4)OC)C#N)Cc5cncn5C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,FPP:B:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,2ZIR,,,,,,,
,,,FPP:B:902,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GOL:A:921,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:923,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:924,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:925,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:927,invalid,,,,,C(C(CO)O)O,
,,,NH7:B:903,valid,ic50,=,6.4,nM,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3cc4cc(cc(c4o3)c5ccccc5)C(=O)NN6CCOCC6)O,
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,1TN8,,,,,,,
,,,ACY:B:3002,invalid,,,,,CC(=O)O,
,,,FII:B:1,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,GLY CYS VAL LEU SER:C:2005,valid,,,,,SCC(NC(=O)C[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CO)CC(C)C)C(C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3E34,,,,,,,
,,,ED1:B:1003,valid,,,,,CC(C)(C)OC(=O)N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(=O)O,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,4GTO,,,,,,,
,,,7TO:B:502,valid,ic50,=,10.5,nM,Cn1cncc1CN2C[C@H](N(Cc3c2ccc(c3)C#N)S(=O)(=O)c4ccc(cc4)OC)Cc5ccc(cc5)OS(=O)(=O)C(F)(F)F,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,FPP:B:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,1JCS,,,,,,,
,,,ACY:B:3002,invalid,,,,,CC(=O)O,
,,,ACY:B:3003,invalid,,,,,CC(=O)O,
,,,FII:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,THR LYS CYS VAL PHE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCCC[NH3+])CS)C(C)C)Cc1ccccc1)C(=O)[O-])C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3KSQ,,,,,,,
,,,FPP:B:438,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,Z96:B:439,valid,ic50,=,0.38,nM,CC(C)(C)OC(=O)N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[C@H](c5cncn5C)O)Cl,
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,1JCR,,,,,,,
,,,ACY:A:3003,invalid,,,,,CC(=O)O,
,,,ACY:B:3002,invalid,,,,,CC(=O)O,
,,,CYS VAL PHE MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CS)C(C)C)Cc1ccccc1)C(=O)[O-])C,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3E33,,,,,,,
,,,ED7:B:1003,valid,,,,,Cc1ccccc1S(=O)(=O)[N@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1O1R,,,,,,,
,,,GRG:B:2001,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1LD7,,,,,,,
,,,FPP:B:1002,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,U66:B:1003,valid,ic50,=,1.1,nM,c1cc2ccc3cc2c(c1)N4CC[C@@H](C4=O)NCCc5cncn5CC6=CCC(C(C6)O3)C#N,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1O5M,,,,,,,
,,,336:B:3001,valid,ic50,=,1.9,nM,c1c(cc(c2c1CCc3cc(cnc3[C@@H]2C4CCN(CC4)C(=O)CC5CCN(CC5)C(=O)N)Br)Br)Cl,
,,,FPP:B:2001,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,1O1T,,,,,,,
,,,2NH:B:3001,valid,,,,,CC[C@H](C)[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CSCC=C(/C)CCC=C(/C)CCC=C(C)C)NC(=O)C,
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,2IEJ,,,,,,,
,,,ACT:A:903,invalid,,,,,CC(=O)[O-],
,,,ACT:A:905,invalid,,,,,CC(=O)[O-],
,,,ACT:B:940,invalid,,,,,CC(=O)[O-],
,,,ACT:B:941,invalid,,,,,CC(=O)[O-],
,,,ACT:B:942,invalid,,,,,CC(=O)[O-],
,,,FII:B:944,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,S48:B:943,valid,,,,,Cn1cc(nc1)S(=O)(=O)[N@@](CC(=O)OC)[C@H]2Cc3cc(ccc3N(C2)Cc4cncn4C)c5ccccc5,
,,,ZN:B:939,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3DRA,,,,,,,
,,,B3P:A:307,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,GRG:B:1721,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,ZN:B:391,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1N4Q,,,,,,,
,,,CL:C:1301,invalid,,,,,[Cl-],
,,,CL:D:1306,invalid,,,,,[Cl-],
,,,CL:F:1309,invalid,,,,,[Cl-],
,,,CL:G:1311,invalid,,,,,[Cl-],
,,,CL:H:1312,invalid,,,,,[Cl-],
,,,CL:J:1315,invalid,,,,,[Cl-],
,,,CL:K:1317,invalid,,,,,[Cl-],
,,,GER:R:1300,Part of Protein,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,MGM:B:1401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MGM:D:1402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MGM:F:1403,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MGM:H:1404,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MGM:J:1405,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MGM:L:1406,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CCN(C)CCO[P@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:378,Part of Protein,,,,,[Zn+2],
,,,ZN:D:378,Part of Protein,,,,,[Zn+2],
,,,ZN:F:378,Part of Protein,,,,,[Zn+2],
,,,ZN:H:378,Part of Protein,,,,,[Zn+2],
,,,ZN:J:378,Part of Protein,,,,,[Zn+2],
,,,ZN:L:378,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1TN6,,,,,,,
,,,ACY:A:3004,invalid,,,,,CC(=O)O,
,,,ACY:B:3001,invalid,,,,,CC(=O)O,
,,,FII:B:1,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
2.3.2.23,,,,,,,,,
,Family. Representative Entry is ,6NYO,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:E:102,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,U94:A:301,valid,,,,,COCC(=O)N[C@@H](Cc1ccc(cc1)c2cc(cc(c2)Cl)Cl)[C@@H]([C@H](C(=O)O)O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5NGZ,,,,,,,
,,,2BG:A:201,valid,Kd,=,1.3,mM,c1ccc2c(c1)nc(s2)CN,
5.3.1.5,,,,,,,,,
,Family. Representative Entry is ,2GYI,,,,,,,
,,,HYA:A:960,valid,Ki,<,100,nM,C([C@H]([C@@H](/C(=N/O)/O)O)O)O,
,,,HYA:B:970,valid,Ki,<,100,nM,C([C@H]([C@@H](/C(=N/O)/O)O)O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,1S5M,,,,,,,
,,,GLC:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,NA:A:2004,Part of Protein,,,,,[Na+],
,,,NA:A:2005,Part of Protein,,,,,[Na+],
,,3KBM,,,,,,,
,,,CD:A:391,invalid,,,,,[Cd+2],
,,,CD:A:392,invalid,,,,,[Cd+2],
,,,GLC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,4QEH,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,32O:A:403,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,3U3H,,,,,,,
,,,03W:A:400,valid,,,,,C([C@H](C(O)O)O)O,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MRD:A:2000,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1XID,,,,,,,
,,,ASC:A:389,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,4DUO,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,XYL:A:403,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,4QE5,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,RUU:A:403,valid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,6RNF,,,,,,,
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,1XIH,,,,,,,
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,SOR:A:389,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,4ZBC,,,,,,,
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:405,invalid,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:A:406,invalid,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GLC:B:406,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:408,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,FRU:A:410,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:408,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:409,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:409,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,4QEE,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,Z6J:A:403,valid,,,,,C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O,
,,1XIG,,,,,,,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,XYL:A:389,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XYC,,,,,,,
,,,3MF:A:950,valid,,,,,CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO,
,,,3MF:B:960,valid,,,,,CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:900,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,5ZYE,,,,,,,
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,2XIS,,,,,,,
,,,MG:A:391,Part of Protein,,,,,[Mg+2],
,,,MG:A:392,Part of Protein,,,,,[Mg+2],
,,,XYL:A:390,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XYM,,,,,,,
,,,GLO:A:950,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,GLO:B:960,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,OH:A:1700,invalid,,,,,[OH-],
,,,OH:B:1800,invalid,,,,,[OH-],
,,8XIA,,,,,,,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,XLS:A:389,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,1XIJ,,,,,,,
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,THE:A:389,valid,,,,,C([C@H]([C@@H](C(=O)[O-])O)O)O,
,,4XIS,,,,,,,
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,MN:A:392,Part of Protein,,,,,[Mn+2],
,,,XLS:A:393,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XYS:A:394,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,1GW9,,,,,,,
,,,CA:A:1387,Part of Protein,,,,,[Ca+2],
,,,CA:A:1388,Part of Protein,,,,,[Ca+2],
,,,IOD:A:1391,invalid,,,,,[I-],
,,,IOD:A:1392,invalid,,,,,[I-],
,,,IOD:A:1393,invalid,,,,,[I-],
,,,IOD:A:1394,invalid,,,,,[I-],
,,,IOD:A:1395,invalid,,,,,[I-],
,,,IOD:A:1396,invalid,,,,,[I-],
,,,IOD:A:1397,invalid,,,,,[I-],
,,,IOD:A:1398,invalid,,,,,[I-],
,,,IOD:A:1399,invalid,,,,,[I-],
,,,IOD:A:1400,invalid,,,,,[I-],
,,,IOD:A:1401,invalid,,,,,[I-],
,,,IOD:A:1402,invalid,,,,,[I-],
,,,IOD:A:1403,invalid,,,,,[I-],
,,,IOD:A:1404,invalid,,,,,[I-],
,,,IOD:A:1405,invalid,,,,,[I-],
,,,IOD:A:1406,invalid,,,,,[I-],
,,,IOD:A:1407,invalid,,,,,[I-],
,,,IOD:A:1408,invalid,,,,,[I-],
,,,IOD:A:1409,invalid,,,,,[I-],
,,,IOD:A:1410,invalid,,,,,[I-],
,,,IOD:A:1411,invalid,,,,,[I-],
,,,IOD:A:1412,invalid,,,,,[I-],
,,,IOD:A:1413,invalid,,,,,[I-],
,,,IOD:A:1414,invalid,,,,,[I-],
,,,IOD:A:1415,invalid,,,,,[I-],
,,,IOD:A:1416,invalid,,,,,[I-],
,,,IOD:A:1417,invalid,,,,,[I-],
,,,IOD:A:1418,invalid,,,,,[I-],
,,,IOD:A:1419,invalid,,,,,[I-],
,,,LXC:A:1389,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,LXC:A:1390,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,1XIC,,,,,,,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,XLS:A:389,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,1XII,,,,,,,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,,XUL:A:389,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,6QNI,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,GLC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,4ZB5,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1XYB,,,,,,,
,,,GLO:A:950,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,GLO:B:960,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:900,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,4ZB2,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,FRU:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6QNJ,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,GLC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,4QE4,,,,,,,
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,34V:A:404,valid,,,,,C1[C@@H]([C@@H]([C@@](O1)(CO)O)O)O,
,,4ZB0,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,invalid,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:405,invalid,,,,,[Mn+2],
,,,GLC:B:406,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:406,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,FRU:A:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,4QE1,,,,,,,
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,RUU:A:403,valid,,,,,C1[C@@H]([C@@H]([C@](O1)(CO)O)O)O,
,,6RND,,,,,,,
,,,GLC:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,1S5N,,,,,,,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,NA:A:2004,Part of Protein,,,,,[Na+],
,,,NA:A:2005,Part of Protein,,,,,[Na+],
,,,OH:A:2006,invalid,,,,,[OH-],
,,,XYL:A:1001,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XIF,,,,,,,
,,,GLC:A:389,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,3XIS,,,,,,,
,,,MG:A:391,Part of Protein,,,,,[Mg+2],
,,,MG:A:392,Part of Protein,,,,,[Mg+2],
,,,XLS:A:393,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XYS:A:393,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,6QND,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GLO:A:401,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,1XIE,,,,,,,
,,,ASO:A:389,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:390,Part of Protein,,,,,[Mn+2],
,,,MN:A:391,Part of Protein,,,,,[Mn+2],
,,3KBN,,,,,,,
,,,GLO:A:401,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,,NI:A:391,Part of Protein,,,,,[Ni+2],
,,,NI:A:392,Part of Protein,,,,,[Ni+2],
,,,NI:A:393,Part of Protein,,,,,[Ni+2],
,,6QNC,,,,,,,
,,,CO:A:403,Part of Protein,,,,,[Co+2],
,,,GLC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1XLI,,,,,,,
,,,GLT:A:400,valid,Ki,=,33,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O,
,,,GLT:B:400,valid,Ki,=,33,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O,
,,,MN:A:398,Part of Protein,,,,,[Mn+2],
,,,MN:A:399,Part of Protein,,,,,[Mn+2],
,,,MN:B:398,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,1DID,,,,,,,
,,,DIG:A:400,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,DIG:B:400,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,MN:A:398,Part of Protein,,,,,[Mn+2],
,,,MN:A:399,Part of Protein,,,,,[Mn+2],
,,,MN:B:398,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,1XLC,,,,,,,
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:399,Part of Protein,,,,,[Mg+2],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XLJ,,,,,,,
,,,MN:A:399,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1DIE,,,,,,,
,,,MG:A:398,Part of Protein,,,,,[Mg+2],
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:398,Part of Protein,,,,,[Mg+2],
,,,MG:B:399,Part of Protein,,,,,[Mg+2],
,,,NOJ:A:400,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:400,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,1XLF,,,,,,,
,,,GCO:A:400,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,,GCO:B:400,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O,
,,,MN:A:398,Part of Protein,,,,,[Mn+2],
,,,MN:A:399,Part of Protein,,,,,[Mn+2],
,,,MN:B:398,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,4XIA,,,,,,,
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:399,Part of Protein,,,,,[Mg+2],
,,,SOR:A:400,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:400,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,1XLM,,,,,,,
,,,AL:A:398,Part of Protein,,,,,[Al+3],
,,,AL:A:399,Part of Protein,,,,,[Al+3],
,,,AL:B:398,Part of Protein,,,,,[Al+3],
,,,AL:B:399,Part of Protein,,,,,[Al+3],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,5XIA,,,,,,,
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:399,Part of Protein,,,,,[Mg+2],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XLG,,,,,,,
,,,AL:A:399,Part of Protein,,,,,[Al+3],
,,,AL:B:399,Part of Protein,,,,,[Al+3],
,,,MG:A:398,Part of Protein,,,,,[Mg+2],
,,,MG:B:398,Part of Protein,,,,,[Mg+2],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XLD,,,,,,,
,,,MN:A:398,Part of Protein,,,,,[Mn+2],
,,,MN:A:399,Part of Protein,,,,,[Mn+2],
,,,MN:B:398,Part of Protein,,,,,[Mn+2],
,,,MN:B:399,Part of Protein,,,,,[Mn+2],
,,,XYL:A:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:400,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,Family. Representative Entry is ,1XIM,,,,,,,
,,,CO:A:395,Part of Protein,,,,,[Co+2],
,,,CO:A:396,Part of Protein,,,,,[Co+2],
,,,CO:B:395,Part of Protein,,,,,[Co+2],
,,,CO:B:396,Part of Protein,,,,,[Co+2],
,,,CO:C:395,Part of Protein,,,,,[Co+2],
,,,CO:C:396,Part of Protein,,,,,[Co+2],
,,,CO:D:395,Part of Protein,,,,,[Co+2],
,,,CO:D:396,Part of Protein,,,,,[Co+2],
,,,XYL:A:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:C:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:D:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,2XIN,,,,,,,
,,,CO:A:395,Part of Protein,,,,,[Co+2],
,,,CO:A:396,Part of Protein,,,,,[Co+2],
,,,CO:B:395,Part of Protein,,,,,[Co+2],
,,,CO:B:396,Part of Protein,,,,,[Co+2],
,,,CO:C:395,Part of Protein,,,,,[Co+2],
,,,CO:C:396,Part of Protein,,,,,[Co+2],
,,,CO:D:395,Part of Protein,,,,,[Co+2],
,,,CO:D:396,Part of Protein,,,,,[Co+2],
,,,SOR:A:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:C:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,8XIM,,,,,,,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:C:395,Part of Protein,,,,,[Mg+2],
,,,MG:D:395,Part of Protein,,,,,[Mg+2],
,,,XLS:A:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:D:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,2XIM,,,,,,,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:A:396,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:396,Part of Protein,,,,,[Mg+2],
,,,MG:C:395,Part of Protein,,,,,[Mg+2],
,,,MG:C:396,Part of Protein,,,,,[Mg+2],
,,,MG:D:395,Part of Protein,,,,,[Mg+2],
,,,MG:D:396,Part of Protein,,,,,[Mg+2],
,,,XYL:A:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:C:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:D:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1XIN,,,,,,,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:C:395,Part of Protein,,,,,[Mg+2],
,,,MG:D:395,Part of Protein,,,,,[Mg+2],
,,,XYL:A:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:C:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:D:397,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,3XIM,,,,,,,
,,,CO:A:395,Part of Protein,,,,,[Co+2],
,,,CO:A:396,Part of Protein,,,,,[Co+2],
,,,CO:B:395,Part of Protein,,,,,[Co+2],
,,,CO:B:396,Part of Protein,,,,,[Co+2],
,,,CO:C:395,Part of Protein,,,,,[Co+2],
,,,CO:C:396,Part of Protein,,,,,[Co+2],
,,,CO:D:395,Part of Protein,,,,,[Co+2],
,,,CO:D:396,Part of Protein,,,,,[Co+2],
,,,SOR:A:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:C:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:397,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,5XIN,,,,,,,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:C:395,Part of Protein,,,,,[Mg+2],
,,,MG:D:395,Part of Protein,,,,,[Mg+2],
,,,XLS:A:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:D:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,9XIM,,,,,,,
,,,MN:A:395,Part of Protein,,,,,[Mn+2],
,,,MN:A:396,Part of Protein,,,,,[Mn+2],
,,,MN:B:395,Part of Protein,,,,,[Mn+2],
,,,MN:B:396,Part of Protein,,,,,[Mn+2],
,,,MN:C:395,Part of Protein,,,,,[Mn+2],
,,,MN:C:396,Part of Protein,,,,,[Mn+2],
,,,MN:D:395,Part of Protein,,,,,[Mn+2],
,,,MN:D:396,Part of Protein,,,,,[Mn+2],
,,,XLS:A:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:D:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,6XIM,,,,,,,
,,,MG:A:395,Part of Protein,,,,,[Mg+2],
,,,MG:A:396,Part of Protein,,,,,[Mg+2],
,,,MG:B:395,Part of Protein,,,,,[Mg+2],
,,,MG:B:396,Part of Protein,,,,,[Mg+2],
,,,MG:C:395,Part of Protein,,,,,[Mg+2],
,,,MG:C:396,Part of Protein,,,,,[Mg+2],
,,,MG:D:395,Part of Protein,,,,,[Mg+2],
,,,MG:D:396,Part of Protein,,,,,[Mg+2],
,,,XLS:A:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:D:397,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,Family. Representative Entry is ,5NH6,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYL:C:502,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:B:502,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:D:502,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,XYL:A:502,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,5NHA,,,,,,,
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:C:502,Part of Protein,,,,,[Mn+2],
,,,MN:D:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,SOR:A:503,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:D:503,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:C:503,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SOR:B:503,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NH9,,,,,,,
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:C:503,Part of Protein,,,,,[Mn+2],
,,,MN:C:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,XLS:B:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:504,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:D:504,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP:D:501,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:501,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,5NH7,,,,,,,
,,,XLS:D:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,XYS:A:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:507,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYP:C:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:507,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NHE,,,,,,,
,,,CD:D:502,invalid,,,,,[Cd+2],
,,,CD:C:501,invalid,,,,,[Cd+2],
,,,CD:B:501,invalid,,,,,[Cd+2],
,,,CD:B:502,invalid,,,,,[Cd+2],
,,,CD:A:502,invalid,,,,,[Cd+2],
,,,CD:D:501,invalid,,,,,[Cd+2],
,,,CD:C:502,invalid,,,,,[Cd+2],
,,,CD:A:501,invalid,,,,,[Cd+2],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP:B:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:507,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYS:B:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:503,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:503,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XLS:A:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,5NH8,,,,,,,
,,,XLS:D:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:504,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:507,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:509,Part of Protein,,,,,[Ca+2],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYP:C:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:501,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:D:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,5NHC,,,,,,,
,,,CO:D:501,Part of Protein,,,,,[Co+2],
,,,CO:D:502,Part of Protein,,,,,[Co+2],
,,,CO:C:502,Part of Protein,,,,,[Co+2],
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,CO:B:501,Part of Protein,,,,,[Co+2],
,,,CO:C:501,Part of Protein,,,,,[Co+2],
,,,CO:B:502,Part of Protein,,,,,[Co+2],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,HYP:B:504,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:D:504,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:C:504,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,HYP:A:504,invalid,,,,,C1[C@H](CN[C@@H]1C(=O)O)O,
,,,XUL:D:503,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:B:503,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:C:503,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,,XUL:A:503,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)O,
,,5NHD,,,,,,,
,,,XLS:D:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:A:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:B:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XLS:C:503,valid,,,,,C([C@H]([C@@H]([C@H](C=O)O)O)O)O,
,,,XYP:D:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:507,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:508,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:506,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,NI:D:502,Part of Protein,,,,,[Ni+2],
,,,NI:C:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:502,Part of Protein,,,,,[Ni+2],
,,,NI:A:502,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,NI:D:501,Part of Protein,,,,,[Ni+2],
,,,NI:C:502,Part of Protein,,,,,[Ni+2],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XYS:D:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:D:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:C:504,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:507,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:A:505,invalid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
1.3.99.1,,,,,,,,,
,Family. Representative Entry is ,1Q9I,,,,,,,
,,,FAD:A:9805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:9810,Part of Protein,,,,,[Na+],
,,,TEO:A:9806,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,1JRZ,,,,,,,
,,,FAD:A:1805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:2806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1810,Part of Protein,,,,,[Na+],
,,,NA:B:2810,Part of Protein,,,,,[Na+],
,,1KSS,,,,,,,
,,,FAD:A:1805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1810,Part of Protein,,,,,[Na+],
,,1LJ1,,,,,,,
,,,FAD:A:1700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1701,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1801,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,,NA:B:810,Part of Protein,,,,,[Na+],
,,1QJD,,,,,,,
,,,FAD:A:1573,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1576,invalid,,,,,C(C(CO)O)O,
,,,HEC:A:1569,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:1570,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:1571,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:1572,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,NA:A:1575,Part of Protein,,,,,[Na+],
,,,TEO:A:1574,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,1P2H,,,,,,,
,,,FAD:A:805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,,TEO:A:806,valid,,,,,C(=C(O)/[O-])[C@H](C(=O)[O-])O,
,,1M64,,,,,,,
,,,FAD:A:3000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4000,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:3001,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:4001,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:3002,Part of Protein,,,,,[Na+],
,,,NA:B:4002,Part of Protein,,,,,[Na+],
,,1KSU,,,,,,,
,,,FAD:A:2805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:2806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:3806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,,NA:B:810,Part of Protein,,,,,[Na+],
,,1JRY,,,,,,,
,,,FAD:A:1805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:2806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1810,Part of Protein,,,,,[Na+],
,,,NA:B:2810,Part of Protein,,,,,[Na+],
,,1P2E,,,,,,,
,,,ACY:A:811,invalid,,,,,CC(=O)O,
,,,FAD:A:805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,2B7R,,,,,,,
,,,FAD:A:1805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1810,Part of Protein,,,,,[Na+],
,,1E39,,,,,,,
,,,FAD:A:805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,GOL:A:850,invalid,,,,,C(C(CO)O)O,
,,,HEC:A:801,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:802,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:803,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:804,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,NA:A:810,Part of Protein,,,,,[Na+],
,,2B7S,,,,,,,
,,,FAD:A:1805,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FUM:A:1806,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:A:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:803,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:804,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:1810,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2BS3,,,,,,,
,,,CIT:A:1657,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:1657,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,F3S:B:1241,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:E:1241,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1656,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1656,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1240,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:1240,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HEM:C:1255,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:1256,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:1255,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:1256,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LMT:C:1257,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:F:1257,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,NA:A:1658,Part of Protein,,,,,[Na+],
,,,NA:D:1658,Part of Protein,,,,,[Na+],
,,,SF4:B:1242,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1242,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1QLB,,,,,,,
,,,CA:A:1658,Part of Protein,,,,,[Ca+2],
,,,CA:D:1658,Part of Protein,,,,,[Ca+2],
,,,F3S:B:1241,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:E:1241,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FAD:A:1656,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1656,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:1240,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:1240,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FUM:A:1657,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:1657,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,HEM:C:1255,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:1256,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:1255,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:1256,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LMT:C:1257,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:F:1257,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,SF4:B:1242,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1242,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,1D4D,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:603,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:604,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SIN:A:700,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,1QO8,,,,,,,
,,,FAD:A:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:605,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:603,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:604,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:603,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:604,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
4.2.1.81,,,,,,,,,
,Family. Representative Entry is ,2DW7,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2004,Part of Protein,,,,,[Mg+2],
,,,MG:E:2005,Part of Protein,,,,,[Mg+2],
,,,MG:F:2006,Part of Protein,,,,,[Mg+2],
,,,MG:G:2007,Part of Protein,,,,,[Mg+2],
,,,MG:H:2008,Part of Protein,,,,,[Mg+2],
,,,MG:I:2009,Part of Protein,,,,,[Mg+2],
,,,MG:J:2010,Part of Protein,,,,,[Mg+2],
,,,MG:K:2011,Part of Protein,,,,,[Mg+2],
,,,MG:L:2012,Part of Protein,,,,,[Mg+2],
,,,MG:M:2013,Part of Protein,,,,,[Mg+2],
,,,MG:N:2014,Part of Protein,,,,,[Mg+2],
,,,MG:O:2015,Part of Protein,,,,,[Mg+2],
,,,MG:P:2016,Part of Protein,,,,,[Mg+2],
,,,SRT:A:1001,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:1002,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:1003,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:1004,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:E:1005,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:F:1006,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:G:1007,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:H:1008,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:I:1009,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:J:1010,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:K:1011,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:L:1012,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:M:1013,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:N:1014,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:O:1015,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:P:1016,valid,Ki,=,20,uM,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,2DW6,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:C:2003,Part of Protein,,,,,[Mg+2],
,,,MG:D:2004,Part of Protein,,,,,[Mg+2],
,,,TAR:A:1001,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:1002,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:1003,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:1004,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
6.2.1.12,,,,,,,,,
,Family. Representative Entry is ,5BSR,,,,,,,
,,,AMP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5BSV,,,,,,,
,,,4UW:A:600,valid,,,,,COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,5BSW,,,,,,,
,,,4UW:A:600,valid,,,,,COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,4UW:B:600,valid,,,,,COC1=CC(=CCC1=O)/C=C/C(=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,5BST,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,4UU:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CCC(=O)C=C4)O)O)N,
,,5BSU,,,,,,,
,,,4UV:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)/C=C/C4=CC(=O)C(=O)C=C4)O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,5BSM,,,,,,,
,,,ATP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,invalid,,,,,[Mg+2],
6.1.1.20,,,,,,,,,
,Family. Representative Entry is ,2RHQ,,,,,,,
,,,GAX:A:352,valid,,,,,c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,2RHS,,,,,,,
,,,GAX:A:1,valid,,,,,c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4,
,,,GAX:C:2,valid,,,,,c1ccnc(c1)N2CCN(CC2)S(=O)(=O)c3cccc(c3)NC(=O)Nc4nccs4,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:C:3,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1B7Y,,,,,,,
,,,FYA:A:1002,valid,,,,,c1ccc(cc1)C[C@@H](CO[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TEG,,,,,,,
,,,DAH:A:416,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,5MGH,,,,,,,
,,,PHE:A:501,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,5MGW,,,,,,,
,,,PHE:A:501,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,5MGU,,,,,,,
,,,PHE:A:501,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,3CMQ,,,,,,,
,,,FA5:A:999,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,MG:A:416,invalid,,,,,[Mg+2],
17.-.-.-,,,,,,,,,
,Family. Representative Entry is ,4DXD,,,,,,,
,,,9PC:A:402,valid,,,,,c1cc(c(c(c1OCc2nc3cc(cnc3s2)Cl)F)C(=O)N)F,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3WGM,,,,,,,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2RHO,,,,,,,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,2RHL,,,,,,,
,,,GDP:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6RVN,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,Kd,=,18.2,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5XDV,,,,,,,
,,,ZI6:A:403,valid,,,,,c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5XDT,,,,,,,
,,,ZI7:A:403,valid,,,,,c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C(=O)N)F,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MB3:A:405,invalid,,,,,CN1CCCC1=O,
,,,MB3:A:404,valid,,,,,CN1CCCC1=O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6RVQ,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6SI9,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,Kd,=,18.2,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6RVP,,,,,,,
,,,MB3:A:403,valid,,,,,CN1CCCC1=O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5H5G,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6KVP,,,,,,,
,,,ZI1:A:403,valid,,,,,C[C@H](c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5H5H,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5H5I,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6KVQ,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DVX:A:403,valid,Kd,=,0.88,uM,[B-]1(n2c(ccc2CCC(=O)OC[C@H](c3nc(c(o3)Br)c4ccc(cc4)C(F)(F)F)Oc5ccc(c(c5F)C(=O)N)F)C=C6[N+]1=C(C=C6C)C)(F)F,
,,5XDW,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5MN4,,,,,,,
,,,GDP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MPD:A:1002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5XDU,,,,,,,
,,,ZI6:A:403,valid,,,,,c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)F)Br)C(F)(F)F,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1XEX,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3K05,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2090,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2091,invalid,,,,,C(C(CO)O)O,
,,,SEP GLN GLU TYR NH2:C:139,valid,Ki,=,51,uM,P(=O)(OCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])Cc1ccc(O)cc1)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,,,SEP GLN GLU TYR NH2:D:139,valid,Ki,=,51,uM,P(=O)(OCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])Cc1ccc(O)cc1)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,,2AZM,,,,,,,
,,,LYS LYS ALA THR GLN ALA SEP GLN GLU TYR:C:138,valid,,,,,P(=O)(OCC(NC(=O)C(N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,,,LYS LYS ALA THR GLN ALA SEP GLN GLU TYR:D:138,valid,,,,,P(=O)(OCC(NC(=O)C(N)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,Family. Representative Entry is ,6O0K,,,,,,,
,,,LBM:A:301,valid,Ki,=,0.018,nM,CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C,
,,,2PE:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,6O0O,,,,,,,
,,,F3Q:A:201,valid,Ki,=,5.3,nM,c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6,
,,,F3Q:C:201,valid,Ki,=,5.3,nM,c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6,
,,6O0P,,,,,,,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,LBM:A:301,valid,Ki,=,0.11,nM,CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C,
,,6O0L,,,,,,,
,,,PEG:C:303,invalid,,,,,C(COCCO)O,
,,,PEG:C:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,LBM:A:301,valid,Ki,=,3.2,nM,CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C,
,,,LBM:C:301,valid,Ki,=,3.2,nM,CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C,
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,6O0M,,,,,,,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,LBM:A:301,valid,Ki,=,0.46,nM,CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C,
,,4IEH,,,,,,,
,,,1E9:A:201,valid,Kd,=,14,nM,CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC3=NS(=O)(=O)c4c3ccc(c4)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl,
,,4MAN,,,,,,,
,,,1Y1:A:301,valid,,,,,CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl,
,,,1Y1:B:301,valid,,,,,CN(C)CCOc1cccc(c1CN2CCN(CC2)c3ccc(c(c3)Oc4ccc5c(c4)cc[nH]5)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])NCC7CCOCC7)c8ccc(cc8)Cl,
,,4AQ3,,,,,,,
,,,398:A:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,,398:B:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,,398:C:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,,398:D:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,,398:E:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,,398:F:1163,valid,ic50,=,37,nM,CCCCN(CCCC)C(=O)c1c(c(n(n1)c2ccc(cc2C(=O)N3CCc4ccccc4C3)C(=O)NS(=O)(=O)c5ccc6ccc(cc6c5)I)C)Cl,
,,4LVT,,,,,,,
,,,1XJ:B:301,valid,,,,,CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C,
,,,1XJ:A:301,valid,,,,,CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C,
,,4LXD,,,,,,,
,,,1XV:A:301,valid,,,,,c1cc(ccc1C2=C(COCC2)CN3CCN(CC3)c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])NC6CCOCC6)Cl,
,,6GL8,,,,,,,
,,,F3Q:A:301,valid,Kd,=,0.000000064,M,c1ccc(cc1)N(c2ccc(cc2)O)C(=O)c3cc(n4c3CCCC4)c5cc6c(cc5C(=O)N7Cc8ccccc8C[C@H]7CN9CCOCC9)OCO6,
,Family. Representative Entry is ,3QKD,,,,,,,
,,,CL:A:219,invalid,,,,,[Cl-],
,,,GOL:A:247,invalid,,,,,C(C(CO)O)O,
,,,HI0:A:218,valid,ic50,=,3,nM,CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl,
,,,HI0:B:218,valid,ic50,=,3,nM,CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)Nc3c4ccc(cc4ncn3)N5CCN(CC5)Cc6ccccc6c7ccc(cc7)Cl,
,,3WIZ,,,,,,,
,,,LC6:A:501,valid,ic50,=,0.0044,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:B:501,valid,ic50,=,0.0044,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2YXJ,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,GOL:A:247,invalid,,,,,C(C(CO)O)O,
,,,N3C:A:1001,valid,ic50,=,9,nM,CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl,
,,,N3C:B:2001,valid,ic50,=,9,nM,CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl,
,,4EHR,,,,,,,
,,,0Q5:A:301,valid,ic50,=,0.013,uM,CCCCc1c(c(nn1c2ccccc2)CO)c3ccc(cc3C(=O)N4CCc5ccccc5C4)C(=O)NS(=O)(=O)CC[Si](C)(C)C,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,3ZLN,,,,,,,
,,,H0Y:A:1197,valid,Kd,=,3.4,nM,c1ccc2c(c1)nc(s2)N/N=C/3CCCc4c3cc(cc4)c5cccc(n5)C(=O)O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1200,invalid,,,,,C(CO)O,
,,,EDO:A:1199,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,SO4:A:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SPF,,,,,,,
,,,B50:A:501,valid,Ki,=,138,uM,CN1CCN(CC1)CCCNC(=O)c2c(c(cn2CC[C@@H](CO)O)c3ccc(cc3)Cl)c4ccccc4,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:212,invalid,,,,,C(C(CO)O)O,
,,3ZK6,,,,,,,
,,,H1I:B:1198,valid,Kd,=,0.46,uM,C/C(=NNc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5,
,,,H1I:A:1198,valid,Kd,=,0.46,uM,C/C(=NNc1nc2ccccc2s1)/c3ccc(o3)c4cccc(c4)S(=O)(=O)NC(=O)CCCCCc5ccccc5,
,Family. Representative Entry is ,1W5F,,,,,,,
,,,G2P:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,G2P:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1RQ2,,,,,,,
,,,CIT:A:380,valid,ic50,=,3,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1RLU,,,,,,,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GSP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6SCS,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:R:434,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:Q:434,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:S:435,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:P:433,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,Family. Representative Entry is ,2W3L,,,,,,,
,,,DRO:A:1166,valid,,,,,Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl,
,,,DRO:B:1164,valid,,,,,Cc1c(c(nn1c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C(=O)N(c5ccccc5)c6ccccc6)Cl,
,Family. Representative Entry is ,6QGG,,,,,,,
,,,J1H:A:401,valid,,,,,C[N+](C)(CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl)CC(=O)O,
,,6QGH,,,,,,,
,,,1XJ:A:401,valid,,,,,CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C,
,,6QGK,,,,,,,
,,,J1Q:A:401,valid,,,,,CCCCN(CCCC)C(=O)c1cc(n(n1)c2ccccc2C(=O)N3Cc4ccccc4C[C@H]3CN)C,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,6QGJ,,,,,,,
,,,J1T:A:301,valid,,,,,COc1cc2c(cc1[C@H](CN3CCCC3)c4ccc(cc4)c5ccc(cc5)C(=O)NS(=O)(=O)c6ccc(c(c6)S(=O)(=O)C(F)(F)F)N[C@H](CCN7CCOCC7)CSc8ccccc8)OCO2,
,Family. Representative Entry is ,3WQT,,,,,,,
,,,MG:D:501,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,invalid,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,ANP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2VAP,,,,,,,
,,,GDP:A:1355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1W5B,,,,,,,
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1W5A,,,,,,,
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,1W58,,,,,,,
,,,G2P:1:1362,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:1:1363,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4A2B,,,,,,,
,,,AGS:A:1393,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:A:1394,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2CE7,,,,,,,
,,,ADP:A:1604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1607,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1608,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1608,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:1607,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1605,invalid,,,,,[Mg+2],
,,,MG:B:1608,invalid,,,,,[Mg+2],
,,,MG:C:1609,invalid,,,,,[Mg+2],
,,,MG:D:1609,invalid,,,,,[Mg+2],
,,,MG:E:1605,invalid,,,,,[Mg+2],
,,,MG:F:1608,invalid,,,,,[Mg+2],
,,,ZN:A:1603,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1606,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1607,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1607,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1603,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1606,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6Z4W,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6UMK,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6LL5,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6LL6,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6UNX,,,,,,,
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4N14,,,,,,,
,,,WR7:A:501,valid,Ki,=,23,uM,Cc1ncc(n1CCOC(=O)N[C@H](C(Cl)(Cl)Cl)Nc2ncccn2)[N+](=O)[O-],
,Family. Representative Entry is ,4ZGP,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1Z6T,,,,,,,
,,,ADP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3KTA,,,,,,,
,,,AP5:A:183,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,AP5:C:183,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,MG:A:184,Part of Protein,,,,,[Mg+2],
,,,MG:C:184,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2IYL,,,,,,,
,,,GDP:D:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:D:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q9C,,,,,,,
,,,GNP:A:950,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q9B,,,,,,,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:B:900,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,GNP:A:950,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:952,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:953,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:954,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:956,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:958,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:959,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:955,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:957,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1TW6,,,,,,,
,,,ALA VAL PRO ILE ALA GLN LYS SER GLU:C:1,valid,Ki,=,0.34,nM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS SER GLU:D:1,valid,Ki,=,0.34,nM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,BTB:B:331,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:441,invalid,,,,,C(CO)O,
,,,EDO:B:442,invalid,,,,,C(CO)O,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,2I3H,,,,,,,
,,,ALA VAL PRO TRP:C:1,valid,Ki,=,0.04,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)Cc1c2c([nH]c1)cccc2,
,,,ALA VAL PRO TRP:D:1,valid,Ki,=,0.04,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)Cc1c2c([nH]c1)cccc2,
,,,BTB:B:401,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3F7H,,,,,,,
,,,419:A:1,valid,,,,,C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC,
,,,419:B:1,valid,,,,,C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)C(c3ccccc3)c4ccccc4)C(C)(C)C)NC,
,,,BTB:B:173,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:174,invalid,,,,,C(CO)O,
,,,EDO:B:175,invalid,,,,,C(CO)O,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3GTA,,,,,,,
,,,851:A:1,valid,,,,,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC,
,,,851:B:1,valid,,,,,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc4c(cccc4s3)c5ccccc5)NC,
,,,BTB:B:173,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:174,invalid,,,,,C(CO)O,
,,,EDO:B:175,invalid,,,,,C(CO)O,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3GT9,,,,,,,
,,,516:A:1,valid,,,,,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC,
,,,516:B:1,valid,,,,,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2c3nc(cs3)c4cccc5c4cccc5)NC,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,2I3I,,,,,,,
,,,618:A:501,valid,Ki,=,0.05,uM,Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C,
,,,618:B:501,valid,Ki,=,0.05,uM,Cc1cc(n(n1)c2ccccc2)NC(=O)[C@@H]3C(S[C@H]4N3C(=O)[C@@H](C=CC4)NC(=O)[C@H](C)NC)(C)C,
,,,BTB:B:301,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,3F7I,,,,,,,
,,,BTB:B:173,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:B:174,invalid,,,,,C(CO)O,
,,,EDO:B:175,invalid,,,,,C(CO)O,
,,,G13:A:1,valid,,,,,C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC,
,,,G13:B:1,valid,,,,,C[C@@H](C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@H](CC2)NC(=O)c3cccc4c3cccc4)C(C)(C)C)NC,
,,,LI:B:1002,Part of Protein,,,,,[Li+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4XZS,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1XB0,,,,,,,
,,,ALA VAL PRO ILE ALA GLN LYS:G:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS:H:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS:I:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS:J:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS:K:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ALA VAL PRO ILE ALA GLN LYS:L:901,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:603,Part of Protein,,,,,[Zn+2],
,,,ZN:D:602,Part of Protein,,,,,[Zn+2],
,,,ZN:D:700,Part of Protein,,,,,[Zn+2],
,,,ZN:D:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:703,Part of Protein,,,,,[Zn+2],
,,,ZN:E:702,Part of Protein,,,,,[Zn+2],
,,,ZN:E:800,Part of Protein,,,,,[Zn+2],
,,,ZN:E:801,Part of Protein,,,,,[Zn+2],
,,,ZN:E:803,Part of Protein,,,,,[Zn+2],
,,,ZN:F:802,Part of Protein,,,,,[Zn+2],
,,,ZN:F:900,Part of Protein,,,,,[Zn+2],
,,,ZN:F:901,Part of Protein,,,,,[Zn+2],
,,,ZN:F:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2R75,,,,,,,
,,,01G:1:614,valid,Kd,=,714,nM,C1COCCN1c2nc3c(n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC3=O)N,
,,,MG:1:615,invalid,,,,,[Mg+2],
,,2R6R,,,,,,,
,,,GDP:1:339,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6SAT,,,,,,,
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:P:434,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,,,ASP ASP LEU ASP VAL PRO SER PHE LEU GLN:Q:434,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(C)C)CC(=O)[O-])C(C)C)CCC1)CO,
,Family. Representative Entry is ,4A2A,,,,,,,
,,,ATP:A:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.2.1.14,,,,,,,,,
,Family. Representative Entry is ,4TX6,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,38B:A:401,valid,ic50,=,2.6,uM,CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1,
,,,38B:B:401,valid,ic50,=,2.6,uM,CC1=Nc2c(c(no2)c3ccccc3OC)C(=O)N1,
,,2XTK,,,,,,,
,,,AZM:A:1339,valid,ic50,=,164,uM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,AZM:B:1339,valid,ic50,=,164,uM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,,PO4:A:1340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1341,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1342,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1343,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1344,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1345,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1346,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1347,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1341,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1342,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1343,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1344,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1345,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1346,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1347,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XVN,,,,,,,
,,,CL:B:1338,invalid,,,,,[Cl-],
,,,CL:B:1339,invalid,,,,,[Cl-],
,,,KLS:A:1338,valid,ic50,=,112,uM,CNC(=O)NC(=N)Nc1ccccc1,
,,,KLS:B:1340,valid,ic50,=,112,uM,CNC(=O)NC(=N)Nc1ccccc1,
,,2XUC,,,,,,,
,,,CL:A:1341,invalid,,,,,[Cl-],
,,,CL:B:1342,invalid,,,,,[Cl-],
,,,PO4:A:1340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1341,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,XRG:A:1338,valid,ic50,=,79,uM,[H]/N=C(NC)/NC(=O)NC,
,,,XRG:A:1339,valid,ic50,=,79,uM,[H]/N=C(NC)/NC(=O)NC,
,,,XRG:B:1338,valid,ic50,=,79,uM,[H]/N=C(NC)/NC(=O)NC,
,,,XRG:B:1339,valid,ic50,=,79,uM,[H]/N=C(NC)/NC(=O)NC,
,,,XRG:C:1337,valid,ic50,=,79,uM,[H]/N=C(NC)/NC(=O)NC,
,Family. Representative Entry is ,3N17,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3N1A,,,,,,,
,,,CHQ:A:1514,valid,,,,,c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2,
,,3N13,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3N18,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,3N15,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2WK2,,,,,,,
,,,PEG:A:1568,invalid,,,,,C(COCCO)O,
,,,PEG:A:1569,invalid,,,,,C(COCCO)O,
,,,PEG:A:1570,invalid,,,,,C(COCCO)O,
,,,SN5 SN5:C:1,valid,,,,,S=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=S)C)C(O)OC1CO)C,
,,,SN5 NGT SN5:B:1,valid,Ki,=,0.15,uM,S=C(NC1C(O)C(OC2C(NC(=S)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(CO)OC2SC(C)=NC2C1O)C,
,,2WM0,,,,,,,
,,,DIO:A:1565,invalid,,,,,C1COCCO1,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:A:1566,invalid,,,,,C(COCCO)O,
,,,NAG NGT NAG:B:1,valid,Ki,=,0.25,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(CO)OC2SC(C)=NC2C1O)C,
,,5Z7O,,,,,,,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1NH6,,,,,,,
,,,NAG NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,2WLZ,,,,,,,
,,,DIO:A:1562,invalid,,,,,C1COCCO1,
,,,DIO:A:1563,invalid,,,,,C1COCCO1,
,,,DIO:A:1564,invalid,,,,,C1COCCO1,
,,,DIO:A:1565,invalid,,,,,C1COCCO1,
,,,DIO:A:1566,invalid,,,,,C1COCCO1,
,,,NGT NAG:A:1569,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(CO)OC2SC(C)=NC2C1O)C,
,,,PEG:A:1567,invalid,Ki,=,25,uM,C(COCCO)O,
,,,PEG:A:1568,invalid,Ki,=,25,uM,C(COCCO)O,
,,2WLY,,,,,,,
,,,DIO:A:1563,invalid,,,,,C1COCCO1,
,,,DIO:A:1564,invalid,,,,,C1COCCO1,
,,,DIO:A:1565,invalid,,,,,C1COCCO1,
,,,DIO:A:1566,invalid,,,,,C1COCCO1,
,,,DIO:A:1567,invalid,,,,,C1COCCO1,
,,,PEG:A:1568,invalid,,,,,C(COCCO)O,
,,,PEG:A:1569,invalid,,,,,C(COCCO)O,
,,,PEG:A:1570,invalid,,,,,C(COCCO)O,
,,,SN5 NGT:A:1571,valid,Ki,=,30,uM,S=C(NC1C(O)C(O)C(CO)OC1OC1C(CO)OC2SC(C)=NC2C1O)C,
,,5Z7P,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,1K9T,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1EIB,,,,,,,
,,,NAG NAG NAG NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(OC4C(O)C(NC(=O)C)C(O)OC4CO)OC3CO)OC2CO)OC1CO)C,
,,5Z7N,,,,,,,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,NDG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C.O=C(NC1C(O)C(O)C(CO)OC1O)C,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,1FFR,,,,,,,
,,,NAG NAG NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C.O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,1X6N,,,,,,,
,,,AO3:A:601,valid,,,,,CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O,
,,5Z7M,,,,,,,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,NDG NAG NAG NAG NAG NAG:B:1,valid,,,,,,
,,,NAG NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,1EHN,,,,,,,
,,,NAG NAG NAG NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(OC4C(O)C(NC(=O)C)C(O)OC4CO)OC3CO)OC2CO)OC1CO)C,
,,1FFQ,,,,,,,
,,,NAA AMI NAA:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,Family. Representative Entry is ,4MB4,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GLY:A:608,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:606,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:607,invalid,,,,,C(C(=O)O)N,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,4HME,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4HMD,,,,,,,
,,,NAG NGO:A:901,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(CO)OC2OC(C)[NH2+]C2C1O)C,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,4MB5,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GLY:A:613,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:606,invalid,,,,,C(C(=O)O)N,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:614,invalid,,,,,C(COCCO)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C.O=C(NC1C(O)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,3WQV,,,,,,,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:A:508,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GCS GCS GCS GCS GCS:B:1,valid,Kd,=,6.2,uM,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])C(OC3C(O)C([NH3+])COC3CO)OC2CO)OC1CO)C1C([NH3+])C(O)C(OC2C([NH3+])C(O)C(O)C(CO)O2)C(CO)O1,
,,3WQW,,,,,,,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:A:508,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GCS GCS GCS GCS GCS:B:1,valid,,,,,O(C1C(O)C([NH3+])C(OC2C(O)C([NH3+])C(OC3C(O)C([NH3+])COC3CO)OC2CO)OC1CO)C1C([NH3+])C(O)C(OC2C([NH3+])C(O)C(O)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,3ALG,,,,,,,
,,,EDO:A:360,invalid,,,,,C(CO)O,
,,,EDO:A:361,invalid,,,,,C(CO)O,
,,,EDO:A:362,invalid,,,,,C(CO)O,
,,,EDO:A:363,invalid,,,,,C(CO)O,
,,,EDO:A:364,invalid,,,,,C(CO)O,
,,,EDO:A:365,invalid,,,,,C(CO)O,
,,,EDO:A:366,invalid,,,,,C(CO)O,
,,,EDO:A:367,invalid,,,,,C(CO)O,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,PO4:A:357,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:358,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:359,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1W9U,,,,,,,
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0AR DPR HSE HIS UN1:C:1434,valid,Kd,=,0.81,uM,O=C([O-])CCCC1C(=O)NC(CCCN=C(NC(=O)C)N)C(=O)N2C(C(=O)NC3C(=O)N(C(Cc4nc[nH]c4)C(=O)N1)C(O)C3)CCC2,
,,,0AR DPR HSE HIS UN1:D:1434,valid,Kd,=,0.81,uM,O=C([O-])CCCC1C(=O)NC(CCCN=C(NC(=O)C)N)C(=O)N2C(C(=O)NC3C(=O)N(C(Cc4nc[nH]c4)C(=O)N1)C(O)C3)CCC2,
,,3CHD,,,,,,,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WRG:A:800,valid,ic50,=,12,uM,[H]/N=C(NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC,
,,,WRG:B:900,valid,ic50,=,12,uM,[H]/N=C(NCCC[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)O)NC(=O)C)/NC(=O)NC,
,,3CH9,,,,,,,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XRG:A:439,valid,ic50,=,500,uM,[H]/N=C(NC)/NC(=O)NC,
,,,XRG:B:442,valid,ic50,=,500,uM,[H]/N=C(NC)/NC(=O)NC,
,,3CHF,,,,,,,
,,,ACE DAL VR0 MEA ASP:C:440,valid,ic50,=,4.3,uM,O=C(NC(=NCCCC(NC(=O)C(NC(=O)C)C)C(=O)N(C(C(=O)NC(C(=O)[O-])CC(=O)[O-])Cc1ccccc1)C)N)NC,
,,,ACE DAL VR0 MEA ASP:D:440,valid,ic50,=,4.3,uM,O=C(NC(=NCCCC(NC(=O)C(NC(=O)C)C)C(=O)N(C(C(=O)NC(C(=O)[O-])CC(=O)[O-])Cc1ccccc1)C)N)NC,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CHE,,,,,,,
,,,ACE VR0 MEA ASP:C:439,valid,ic50,=,5.1,uM,O=C(NC(=NCCCC(NC(=O)C)C(=O)N(C(C(=O)NC(C(=O)[O-])CC(=O)[O-])Cc1ccccc1)C)N)NC,
,,,ACE VR0 MEA ASP:D:439,valid,ic50,=,5.1,uM,O=C(NC(=NCCCC(NC(=O)C)C(=O)N(C(C(=O)NC(C(=O)[O-])CC(=O)[O-])Cc1ccccc1)C)N)NC,
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:441,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:442,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:443,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A3B,,,,,,,
,,,CFF:A:1433,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:A:1434,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:A:1435,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:2433,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:2434,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:B:2435,valid,ic50,=,469,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A3E,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAA AMI NAA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,,NAA AMI NAA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,1W9V,,,,,,,
,,,SO4:A:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1440,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VR0 MEA IAS IAS DAL:C:1434,valid,Kd,=,0.46,uM,O=C(NC(=NCCCC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(=O)[O-])CC(=O)NC(C(=O)[O-])CC(=O)NC(C)C(=O)N1)N)NC,
,,,VR0 MEA IAS IAS DAL:D:1434,valid,Kd,=,0.46,uM,O=C(NC(=NCCCC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(=O)[O-])CC(=O)NC(C(=O)[O-])CC(=O)NC(C)C(=O)N1)N)NC,
,,2IUZ,,,,,,,
,,,D1H:A:1440,valid,Ki,=,2.8,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,D1H:B:1438,valid,Ki,=,2.8,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,SO4:A:1434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CHC,,,,,,,
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:437,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:438,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:439,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZRG:A:439,valid,ic50,=,81,uM,[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)NC(=O)NC,
,,,ZRG:B:440,valid,ic50,=,81,uM,[H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)NC(=O)NC,
,,1WNO,,,,,,,
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,MG:B:3439,Part of Protein,,,,,[Mg+2],
,,,NAG:B:2042,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1042,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:1212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2213,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2214,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A3C,,,,,,,
,,,PNX:A:1434,valid,Kd,=,43,uM,CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C,
,,,PNX:A:1435,valid,Kd,=,43,uM,CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C,
,,,PNX:B:2433,valid,Kd,=,43,uM,CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C,
,,,PNX:B:2434,valid,Kd,=,43,uM,CC(=O)CCCCN1C(=O)c2c(ncn2C)N(C1=O)C,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A3A,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEP:A:1433,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:A:1434,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:A:1435,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:A:1436,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:B:2433,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:B:2434,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:B:2435,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,,TEP:B:2436,valid,ic50,=,1500,uM,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,Family. Representative Entry is ,1LLO,,,,,,,
,,,NAA AMI NAA:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,1KR1,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KQZ,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1HVQ,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1KQY,,,,,,,
,,,GOL:A:950,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:951,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:952,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:953,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:954,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KR0,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,SO4:A:800,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1WAW,,,,,,,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1391,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:1397,invalid,,,,,CC(C)O,
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0AR DPR HSE HIS UN1:B:1392,valid,ic50,=,0.013,uM,O=C([O-])CCCC1C(=O)NC(CCCN=C(NC(=O)C)N)C(=O)N2C(C(=O)NC3C(=O)N(C(Cc4nc[nH]c4)C(=O)N1)C(O)C3)CCC2,
,,1WB0,,,,,,,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:1393,invalid,,,,,CC(C)O,
,,,SO4:A:1394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:469,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VR0 MEA IAS IAS DAL:B:1388,valid,ic50,=,4.5,uM,O=C(NC(=NCCCC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(=O)[O-])CC(=O)NC(C(=O)[O-])CC(=O)NC(C)C(=O)N1)N)NC,
,Family. Representative Entry is ,3A4X,,,,,,,
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:721,invalid,,,,,C(C(CO)O)O,
,,,MG:A:718,invalid,,,,,[Mg+2],
,,,MG:B:718,invalid,,,,,[Mg+2],
,,,SO4:A:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDG NAG NAG NAG:D:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NDG NAG NAG NAG:C:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,3A4W,,,,,,,
,,,MG:A:718,Part of Protein,,,,,[Mg+2],
,,,MG:B:718,Part of Protein,,,,,[Mg+2],
,,,NAG NAG NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,SO4:A:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3WH1,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,4IJ4,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,3W6C,,,,,,,
,,,NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3W6D,,,,,,,
,,,NAG NAG NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,3W6F,,,,,,,
,,,NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3G6M,,,,,,,
,,,CFF:A:1,valid,Ki,=,19.7,mM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,,,CFF:A:427,valid,Ki,=,19.7,mM,Cn1cnc2c1C(=O)N(C(=O)N2C)C,
,Family. Representative Entry is ,3CQL,,,,,,,
,,,GOL:A:248,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:245,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:244,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:245,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:246,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:244,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:246,valid,Ka,=,4,M^-1,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:247,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:248,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:249,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3WD1,,,,,,,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ST7:A:514,valid,ic50,=,0.022,uM,[H]/N=C(/NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)Cn3c(cnn3)CO/N=C/c4ccnc5c4cccc5)NC(=O)NC,
,,,PO3:A:513,invalid,,,,,[O-][P-](=O)[O-],
,,3WD4,,,,,,,
,,,A1L:A:511,valid,ic50,=,0.58,uM,[H]/N=C(NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,QUB:A:512,valid,,,,,C=CCO/N=C/c1ccnc2c1cccc2,
,,6JKF,,,,,,,
,,,BV0:B:502,valid,Kd,=,0.19,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,,,BV0:B:501,valid,Kd,=,0.19,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,,,BV0:A:501,valid,Kd,=,0.19,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,,1UR9,,,,,,,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1525,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1526,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1528,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1529,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1538,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1515,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1519,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1520,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1521,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1522,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1523,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1524,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1525,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1526,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1527,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1528,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1529,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1530,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1531,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1537,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1532,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1533,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1534,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1536,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1537,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1534,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1536,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDL PHJ NAG:D:1,valid,Ki,=,1.7,uM,O(N=C1C(NC(=O)C)C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)O1)C(=O)Nc1ccccc1,
,,,GDL PHJ NAG:C:1,valid,Ki,=,1.7,uM,O(N=C1C(NC(=O)C)C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)O1)C(=O)Nc1ccccc1,
,,1W1Y,,,,,,,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYP:A:1507,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:A:1508,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:A:1509,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:B:1506,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:B:1507,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:B:1508,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,,TYP:B:1509,valid,ic50,=,2.4,mM,c1cc(ccc1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2)O,
,,6JK9,,,,,,,
,,,BU0:A:501,valid,Ki,=,0.41,uM,C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O,
,,,BU0:B:501,valid,Ki,=,0.41,uM,C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O,
,,1H0G,,,,,,,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1502,invalid,,,,,C(C(CO)O)O,
,,,0AR DPR HSE HIS UN1:D:1,valid,,,,,O=C([O-])CCCC1C(=O)NC(CCCN=C(NC(=O)C)N)C(=O)N2C(C(=O)NC3C(=O)N(C(Cc4nc[nH]c4)C(=O)N1)C(O)C3)CCC2,
,,,0AR DPR HSE HIS UN1:C:1,valid,,,,,O=C([O-])CCCC1C(=O)NC(CCCN=C(NC(=O)C)N)C(=O)N2C(C(=O)NC3C(=O)N(C(Cc4nc[nH]c4)C(=O)N1)C(O)C3)CCC2,
,,1E6N,,,,,,,
,,,GOL:B:1509,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC1CO)C,
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Z2H,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,M6A:A:501,valid,ic50,=,8.3,uM,[H]/N=C(NCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC,
,,,CL:A:508,invalid,,,,,[Cl-],
,,4Z2K,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,M6E:A:501,valid,,,,,[H]/N=C(/NCCCCCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)NC(=O)NC,
,,3WD2,,,,,,,
,,,DTD:A:513,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,A1L:A:501,valid,ic50,=,0.58,uM,[H]/N=C(NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC,
,,1E6Z,,,,,,,
,,,NAG:B:505,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGO:A:502,valid,,,,,CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O,
,,,NGO:B:504,valid,,,,,CC1=[NH+][C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7C34,,,,,,,
,,,BER:B:501,valid,Ki,=,11.79,uM,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,,BER:A:501,valid,Ki,=,11.79,uM,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,1W1V,,,,,,,
,,,ALJ:A:1520,valid,ic50,=,6.3,mM,C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N,
,,,ALJ:B:1513,valid,ic50,=,6.3,mM,C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CCCN=C(N)N,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WD3,,,,,,,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A1L:A:501,valid,ic50,=,0.58,uM,[H]/N=C(NCCC[C@@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[N-][N+]#N)/NC(=O)NC,
,,1H0I,,,,,,,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1510,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VR0 MEA IAS IAS DAL:C:1,valid,,,,,O=C(NC(=NCCCC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(=O)[O-])CC(=O)NC(C(=O)[O-])CC(=O)NC(C)C(=O)N1)N)NC,
,,,VR0 MEA IAS IAS DAL:D:1,valid,,,,,O=C(NC(=NCCCC1C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(=O)[O-])CC(=O)NC(C(=O)[O-])CC(=O)NC(C)C(=O)N1)N)NC,
,,1E6R,,,,,,,
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAA AMI NAA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,,NAA AMI NAA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,4Z2I,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PO3:A:508,invalid,,,,,[O-][P-](=O)[O-],
,,,NA:A:503,invalid,,,,,[Na+],
,,,M6B:A:501,valid,ic50,=,0.036,uM,[H]/N=C(NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC,
,,,M6B:A:502,valid,ic50,=,0.036,uM,[H]/N=C(NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@H]2[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)OC(O2)(C)C)C)C)(C)O)OCC#C)C)/NC(=O)NC,
,,,MOH:A:509,invalid,,,,,CO,
,,1O6I,,,,,,,
,,,0HZ:A:1516,valid,Ki,=,0.65,mM,NULL,
,,,0HZ:B:1519,valid,Ki,=,0.65,mM,NULL,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1515,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W1P,,,,,,,
,,,GIO:A:1518,valid,ic50,=,5,mM,C1C[C@H]2C(=O)NCC(=O)N2C1,
,,,GIO:B:1501,valid,ic50,=,5,mM,C1C[C@H]2C(=O)NCC(=O)N2C1,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1W1T,,,,,,,
,,,CHQ:A:1513,valid,ic50,=,1.1,mM,c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2,
,,,CHQ:A:1514,valid,ic50,=,1.1,mM,c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2,
,,,CHQ:B:1512,valid,ic50,=,1.1,mM,c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2,
,,,CHQ:B:1513,valid,ic50,=,1.1,mM,c1c([nH]cn1)C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1507,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UR8,,,,,,,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1505,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDL NAG:C:1,valid,Ki,=,45,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,GDL NAG:D:1,valid,Ki,=,45,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,4Z2L,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,M6F:A:501,valid,,,,,[H]/N=C(NCCCNC(=O)O[C@H]1[C@@H]([C@H]([C@](C[C@H]([C@@H]([C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]1C)CC)(C)O)O)C)O)C)(C)O)OCC#C)C)/NC(=O)NC,
,,1OGG,,,,,,,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1506,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAA AMI NAA:C:1,valid,Ki,=,6.4,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,,NAA AMI NAA:D:1,valid,Ki,=,6.4,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,Family. Representative Entry is ,6ZE8,,,,,,,
,,,QGB:B:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,QGB:C:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,QGB:A:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,QGB:D:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,QGB:F:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,QGB:E:401,valid,ic50,=,23,nM,C[C@H]1CN([C@H](CO1)Cc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,,NA:E:402,Part of Protein,,,,,[Na+],
,,,NA:D:403,invalid,,,,,[Na+],
,,,NA:B:402,invalid,,,,,[Na+],
,,,NA:A:402,invalid,,,,,[Na+],
,,,NA:C:402,invalid,,,,,[Na+],
,,,NA:F:402,invalid,,,,,[Na+],
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,4WKH,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1HKK,,,,,,,
,,,ZN:A:1392,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1393,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1394,Part of Protein,,,,,[Zn+2],
,,,NAA AMI NAA:B:1,valid,ic50,=,40,nM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,,NAA AMI NAA:C:1,valid,ic50,=,40,nM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,4WK9,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5NRF,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,95Q:A:401,valid,ic50,=,163,nM,c1ccc(cc1)CN(CCc2ccc(cc2)Cl)C3CCN(CC3)c4[nH]nc(n4)N,
,,4WKF,,,,,,,
,,,NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6JK6,,,,,,,
,,,BV0:A:502,valid,Kd,=,1.12,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,,,BV0:A:501,valid,Kd,=,1.12,uM,CC1=CC=CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=O)NCc5cccnc5)C2=O,
,,5NR8,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,95N:A:401,valid,ic50,=,175,nM,CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]nc(n3)N,
,,5NRA,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,95K:A:401,valid,ic50,=,123,nM,CC(C)CN(CCc1ccc(cc1)Br)C2CCN(CC2)c3[nH]c(nn3)N,
,,6JJR,,,,,,,
,,,BU0:A:501,valid,Ki,=,0.049,uM,C[C@@H](c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccccc4)NC5=CC=CC=[N]5C3=O,
,Family. Representative Entry is ,4TXE,,,,,,,
,,,38F:A:401,valid,ic50,=,2.4,uM,Cc1ccc(cc1C)OC[C@H](CNC2Cc3ccccc3C2)O,
,,2UY4,,,,,,,
,,,AZM:A:1311,valid,Ki,=,21,uM,CC(=O)Nc1nnc(s1)S(=O)(=O)N,
,,2UY3,,,,,,,
,,,H33:A:1311,valid,Ki,=,600,uM,CN1c2c([nH]c(n2)Cl)C(=O)N(C1=O)C,
,,2UY5,,,,,,,
,,,H35:A:1313,valid,Ki,=,3.2,uM,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,Family. Representative Entry is ,3RM4,,,,,,,
,,,3RM:A:1,valid,Kd,=,1.69,uM,c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br,
,,,3RM:B:1,valid,Kd,=,1.69,uM,c1cc(ccc1OCCN2CCN(CC2)c3[nH]c(nn3)N)Br,
,,3RM8,,,,,,,
,,,RM8:A:417,valid,ic50,=,0.7,uM,Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4,
,,,RM8:B:417,valid,ic50,=,0.7,uM,Cc1c(c2ccccc2[nH]1)CN3CCN(CC3)c4ccccn4,
,,2YBT,,,,,,,
,,,DW0:A:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:A:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:B:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:B:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:C:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:C:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:D:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:D:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:E:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:E:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:F:1399,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,DW0:F:1400,valid,ic50,=,20,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c(ncn4C)N(C3=O)C,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1398,invalid,,,,,C(C(CO)O)O,
,,3RM9,,,,,,,
,,,613:A:1,valid,Kd,=,17,uM,[H]/N=C(N)/N1CCN(CC1)c2ccc(cc2)Cl,
,,,613:B:1,valid,Kd,=,17,uM,[H]/N=C(N)/N1CCN(CC1)c2ccc(cc2)Cl,
,,2YBU,,,,,,,
,,,CX9:A:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:A:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:B:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:B:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:C:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:C:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:D:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:D:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:E:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:E:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:F:1398,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,CX9:F:1399,valid,Ki,=,0.42,uM,Cn1cnc2c1C(=O)N(C(=O)N2C)CCCN3C(=O)c4c([nH]cn4)N(C3=O)C,
,,,GOL:A:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1397,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1397,invalid,,,,,C(C(CO)O)O,
,,3RME,,,,,,,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:417,invalid,,,,,C(C(CO)O)O,
,,,RME:A:418,valid,ic50,=,22,uM,Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-],
,,,RME:B:418,valid,ic50,=,22,uM,Cc1ccnc(c1)Nc2ccc(c(n2)NCCN3CCOCC3)[N+](=O)[O-],
,,3FY1,,,,,,,
,,,NAA AMI NA1:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(COC)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,,,NAA AMI NA1:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(COC)O2)C(CO)OC1OC1C(O)C2N=C(N(C)C)OC2C1CO)C,
,Family. Representative Entry is ,3B9A,,,,,,,
,,,NAG NAG NAG NAG NAG NAG:B:1,valid,Kd,=,0.09,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,3B9D,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,4DYG,,,,,,,
,,,MES:A:305,valid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:305,valid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,4J0L,,,,,,,
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,NAG NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5XSW,,,,,,,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NDG NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,,,NDG NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,Family. Representative Entry is ,4R5E,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,AO3:A:403,valid,Kd,=,0.000000064,M,CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@H]4[C@@H]([C@H]3O)N=C(O4)N(C)C)CO)CO)CO)O)O,
1.10.5.1,,,,,,,,,
,Family. Representative Entry is ,3UXH,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UXH:A:303,valid,ic50,=,0.061,nM,CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O,
,,,UXH:B:302,valid,ic50,=,0.061,nM,CN1c2c3c(cc(nc3c(c(c2N)Cl)N)C(=O)N)C1=O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,5LBY,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,6T2:A:303,valid,,,,,CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N,
,,,6T2:B:303,valid,,,,,CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2QX9,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ML2:A:233,valid,Kd,=,0.7,uM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC,
,,,ML2:A:234,valid,Kd,=,0.7,uM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,3OWX,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,XRA:A:233,valid,ic50,=,17600,nM,COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4,
,,,XRA:B:233,valid,ic50,=,17600,nM,COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,3TE7,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:230,invalid,,,,,c1c[nH+]c[nH]1,
,,,TE7:A:1,valid,ic50,=,59,nM,CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC,
,,,TE7:B:1,valid,ic50,=,59,nM,CN(C)CCNc1ccc2c3c1C(=O)c4cc(ccc4-n3cn2)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,4U7F,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K25:B:304,valid,,,,,CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,K25:B:301,valid,,,,,CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3TEM,,,,,,,
,,,6A1:A:501,valid,ic50,=,14,nM,C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O,
,,,6A1:B:501,valid,ic50,=,14,nM,C[N+](C)(CCNC1CCc2c3c1c(c4cc(ccc4n3cn2)OC)O)O,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,IMD:A:1,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,1SG0,,,,,,,
,,,FAD:A:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:433,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,STL:A:501,valid,Kd,=,35,nM,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:B:502,valid,Kd,=,35,nM,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
,,1XI2,,,,,,,
,,,CB1:A:501,valid,ic50,<,1,uM,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,CB1:B:502,valid,ic50,<,1,uM,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,FAD:A:1234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1233,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
,,,ZN:B:432,Part of Protein,,,,,[Zn+2],
,,3O73,,,,,,,
,,,FAD:A:238,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:238,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,O73:A:239,valid,Kd,=,19,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-],
,,,O73:A:240,valid,Kd,=,19,uM,Cc1c(c2c(n1C)C(=O)C=C(C2=O)NCCCCN)COc3ccc(cc3)[N+](=O)[O-],
,,,ZN:A:237,Part of Protein,,,,,[Zn+2],
,,,ZN:B:237,Part of Protein,,,,,[Zn+2],
,,4ZVM,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DM2:B:303,valid,Kd,=,274,nM,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,DM2:A:303,valid,Kd,=,274,nM,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,3GAM,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MXX:A:231,valid,ic50,=,4.1,uM,CC1=CC(=O)N(c2c1c(ccc2OC)OC)C,
,,,MXX:B:231,valid,ic50,=,4.1,uM,CC1=CC(=O)N(c2c1c(ccc2OC)OC)C,
,,,ZN:A:233,Part of Protein,,,,,[Zn+2],
,,,ZN:B:233,Part of Protein,,,,,[Zn+2],
,,1QR2,,,,,,,
,,,FAD:A:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:233,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
,,5LBW,,,,,,,
,,,V0L:A:303,valid,,,,,C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3,
,,,V0L:B:303,valid,,,,,C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3G5M,,,,,,,
,,,FAD:A:235,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:233,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,XM5:A:232,valid,ic50,=,54.1,uM,CN1c2c(ccc3c2OCO3)C(=CC1=O)OC,
,,,XM5:A:233,valid,ic50,=,54.1,uM,CN1c2c(ccc3c2OCO3)C(=CC1=O)OC,
,,,XM5:A:234,valid,ic50,=,54.1,uM,CN1c2c(ccc3c2OCO3)C(=CC1=O)OC,
,,,XM5:B:232,valid,ic50,=,54.1,uM,CN1c2c(ccc3c2OCO3)C(=CC1=O)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,3UXE,,,,,,,
,,,465:A:303,valid,ic50,=,0.0041,uM,CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O,
,,,465:B:304,valid,ic50,=,0.0041,uM,CN1c2c3c(cc(nc3c(c(c2N)Cl)N=C)C(=O)N)C1=O,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4ZVN,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,AO:B:303,valid,Kd,=,0.36,nM,CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C,
,,,AO:A:303,valid,Kd,=,0.36,nM,CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C,
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,4GQI,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,M49:B:303,valid,ic50,=,20.7,uM,CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C,
,,,M49:A:304,valid,ic50,=,20.7,uM,CC(=O)NCC[C@@H]1c2cc(ccc2NC1=O)NC(=O)C,
,,2QWX,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ML1:A:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:B:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,2QX4,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ML1:A:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:B:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,4U7H,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K25:B:304,valid,Kd,=,36.4,nM,CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,K25:B:301,valid,Kd,=,36.4,nM,CN(C)c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,2QR2,,,,,,,
,,,FAD:A:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:233,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,VK3:B:235,valid,,,,,CC1=CC(=O)c2ccccc2C1=O,
,,,VK3:B:236,valid,,,,,CC1=CC(=O)c2ccccc2C1=O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
,,2BZS,,,,,,,
,,,CB1:A:235,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,CB1:B:236,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,FAD:A:233,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
,,3OX1,,,,,,,
,,,695:B:233,valid,ic50,=,7100,nM,CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC,
,,,695:B:234,valid,ic50,=,7100,nM,CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,2QX8,,,,,,,
,,,CL:A:232,invalid,,,,,[Cl-],
,,,CL:A:233,invalid,,,,,[Cl-],
,,,FAD:A:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:236,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:234,invalid,,,,,C(C(CO)O)O,
,,,ML2:A:235,valid,Kd,=,0.7,uM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC,
,,,ML2:B:233,valid,Kd,=,0.7,uM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,3FW1,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MRD:A:234,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:235,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,STI:A:233,valid,ic50,=,80,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,4ZVK,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ET:B:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:A:303,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:B:304,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,3OWH,,,,,,,
,,,52X:A:232,valid,ic50,=,1900,nM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC,
,,,52X:B:232,valid,ic50,=,1900,nM,CC(=O)NCCc1c2cc(ccc2[nH]c1I)NC(=O)OC,
,,,FAD:A:434,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:433,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,4ZVL,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,AO:A:303,valid,Kd,=,29.4,nM,CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C,
,,,AO:B:301,valid,Kd,=,29.4,nM,CN(C)c1ccc2cc3ccc(cc3[nH+]c2c1)N(C)C,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,5LBZ,,,,,,,
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6T3:B:302,valid,,,,,c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5,
,,,6T3:A:302,valid,,,,,c1cc2cc(c1)-c3ccnc(n3)Nc4ccc(c(c4)COC/C=C/COC2)OCCN5CCCC5,
,,3OX3,,,,,,,
,,,4X4:A:233,valid,ic50,=,11,nM,COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5,
,,,4X4:B:233,valid,ic50,=,11,nM,COc1ccc2c([nH]1)c(c3n2cc4c3nccc4)CCNC(=O)c5ccco5,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,2QX6,,,,,,,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ML1:A:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:B:233,valid,Kd,=,1.4,uM,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,4U7G,,,,,,,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K17:B:303,valid,Kd,=,18.1,nM,c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,K17:A:303,valid,Kd,=,18.1,nM,c1[nH]c2c(n1)c(c(c(c2Br)Br)Br)Br,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,1ZX1,,,,,,,
,,,CB1:A:233,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,CB1:B:235,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,4GR9,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,372:A:303,valid,ic50,=,7,uM,CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N,
,,,372:B:304,valid,ic50,=,7,uM,CC(=O)Nc1ccc2c(c1)[C@H](C(=O)N2C)CC#N,
,,,FAD:B:303,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,3OX2,,,,,,,
,,,79X:A:233,valid,ic50,=,704,nM,COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O,
,,,79X:B:233,valid,ic50,=,704,nM,COc1cc-2c(cc1OC)C(=O)n3c2cc4c3ccc(c4)O,
,,,FAD:A:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:232,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:A:231,Part of Protein,,,,,[Zn+2],
,,,ZN:B:231,Part of Protein,,,,,[Zn+2],
,,3OVM,,,,,,,
,,,FAD:A:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:234,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MZC:A:233,valid,ic50,=,37100,nM,CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC,
,,,MZC:B:233,valid,ic50,=,37100,nM,CC(=O)NCCc1c[nH]c2c1cc(cc2)NC(=O)OC,
,,,ZN:A:232,Part of Protein,,,,,[Zn+2],
,,,ZN:B:232,Part of Protein,,,,,[Zn+2],
3.4.19.1,,,,,,,,,
,Family. Representative Entry is ,2HU5,,,,,,,
,,,GLY PHE:A:1001,valid,,,,,,
,,,GLY PHE:B:2001,valid,,,,,,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3002,invalid,,,,,C(C(CO)O)O,
,,2HU8,,,,,,,
,,,BE2 GLY PHE:A:1001,valid,,,,,,
,,,BE2 GLY PHE:B:2001,valid,,,,,,
,,2HU7,,,,,,,
,,,ACE PHE:A:1001,valid,,,,,,
,,,ACE PHE:B:2001,valid,,,,,,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
1.1.1.27,,,,,,,,,
,Family. Representative Entry is ,3VPH,,,,,,,
,,,NAD:A:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:403,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,FBP:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,OXM:C:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:401,valid,,,,,C(=O)(C(=O)O)N,
,,2V7P,,,,,,,
,,,NAD:A:1332,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1332,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1332,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1332,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:501,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:501,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:501,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:501,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,1V6A,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1VBI,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1HYH,,,,,,,
,,,NAD:A:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1T26,,,,,,,
,,,GBD:A:401,valid,ic50,=,0.14,uM,c1(c(nsn1)O)C(=O)O,
,,,NAI:A:416,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1T24,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXQ:A:417,valid,ic50,=,0.65,uM,c1(c(non1)O)C(=O)O,
,,1U5A,,,,,,,
,,,BIK:A:1001,valid,,,,,c1cc(cc2c1cc(c(c2)C(=O)O)O)O,
,,1CET,,,,,,,
,,,CLQ:A:1001,valid,Ki,=,1.3,mM,CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl,
,,1U4S,,,,,,,
,,,BIH:A:336,valid,,,,,c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O,
,,4PLZ,,,,,,,
,,,OXM:A:401,valid,,,,,C(=O)(C(=O)O)N,
,,,NAI:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1T2D,,,,,,,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:323,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXL:A:322,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1T25,,,,,,,
,,,GAG:A:337,valid,ic50,=,1.1,uM,c1c(c(no1)O)C(=O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2A94,,,,,,,
,,,AP0:A:336,valid,,,,,CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O,
,,1LDG,,,,,,,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1T2C,,,,,,,
,,,GOL:A:337,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1U4O,,,,,,,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDD:A:401,valid,,,,,c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O,
,,1XIV,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,RB2:A:500,valid,,,,,COC(C1CC(CCC1NC(C(O)O)O)Cl)O,
,,1T2E,,,,,,,
,,,GOL:A:338,invalid,,,,,C(C(CO)O)O,
,,,NAI:A:336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXM:A:337,valid,,,,,C(=O)(C(=O)O)N,
,,1OC4,,,,,,,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:1331,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:1331,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,1A5Z,,,,,,,
,,,CD:A:1,invalid,,,,,[Cd+2],
,,,CD:A:2,invalid,,,,,[Cd+2],
,,,CD:A:3,invalid,,,,,[Cd+2],
,,,FBP:A:353,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:354,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,NAD:A:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:355,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,4ZVV,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GN0:C:403,valid,ic50,=,0.003,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl,
,,,GN0:B:404,valid,ic50,=,0.003,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl,
,,,GN0:A:405,valid,ic50,=,0.003,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl,
,,,GN0:D:403,valid,ic50,=,0.003,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3ccc(cc3)N4CCOCC4)c5ccsc5)O)Cl,
,,5W8I,,,,,,,
,,,CIT:B:402,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:404,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:404,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:403,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:D:401,invalid,,,,,[Zn+2],
,,,ZN:A:402,invalid,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:402,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,MLA:B:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,9YD:D:403,valid,ic50,=,0.15,uM,c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F,
,,,9YD:A:403,valid,ic50,=,0.15,uM,c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F,
,,,9YD:C:402,valid,ic50,=,0.15,uM,c1cc(c(cc1c2cc(n(n2)c3nc(cs3)C(=O)O)O)F)F,
,,,DMS:D:405,invalid,,,,,CS(=O)C,
,,,DMS:B:403,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,4QO7,,,,,,,
,,,SO4:D:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:C:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:803,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,36V:A:803,valid,Kd,=,3.5,uM,c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-],
,,,36V:D:802,valid,Kd,=,3.5,uM,c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-],
,,,36V:C:803,valid,Kd,=,3.5,uM,c1ccc(cc1)C2CC(=O)C(C(=O)C2)Sc3ccccc3[N+](=O)[O-],
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,2OP:B:802,valid,,,,,C[C@@H](C(=O)O)O,
,,5W8H,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:D:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,MLA:B:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,DMS:D:402,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,9Y1:C:503,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:A:502,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:C:501,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:C:504,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:C:502,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:A:501,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,,9Y1:B:402,valid,ic50,=,23.4,uM,c1cc(ccc1c2cc(n(n2)c3nc(cs3)C(=O)O)C(F)(F)F)F,
,,5W8J,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,MLA:B:403,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:503,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:D:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,9Y7:B:402,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:A:501,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:A:502,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:C:403,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:C:402,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:D:402,valid,Kd,=,370,nM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:D:403,invalid,,,,,CS(=O)C,
,,,DMS:D:404,invalid,,,,,CS(=O)C,
,,,DMS:C:404,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,4AJE,,,,,,,
,,,2B4:A:1332,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,2B4:B:1333,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,2B4:C:1333,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,2B4:D:1333,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1332,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4I9H,,,,,,,
,,,1E4:C:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:A:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:E:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:G:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:B:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:D:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:H:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,,1E4:F:401,valid,Kd,=,0.068,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COc3cc(cc(c3)F)c4ccc(cn4)C(=O)O)O)O)O)O,
,,5KKC,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6V0:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,,6V0:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,,6V0:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,,6V0:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(=C5)C(=O)N)O)O)O)O)N,
,,4AJP,,,,,,,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1333,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,88N:A:1332,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:B:1333,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:D:1332,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:C:1334,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,4R68,,,,,,,
,,,EPE:C:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:803,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,W31:D:802,valid,ic50,=,6,nM,C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl,
,,,W31:B:803,valid,ic50,=,6,nM,C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl,
,,,W31:A:803,valid,ic50,=,6,nM,C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl,
,,,W31:C:803,valid,ic50,=,6,nM,C[C@@H](c1ccccc1)OC(=O)Cc2ccc(c(c2)SC3=C(C[C@@H](CC3=O)c4c(cccc4Cl)Cl)O)Cl,
,,,SO4:D:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5W8K,,,,,,,
,,,NAI:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MLA:B:403,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:401,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:503,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:503,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:D:503,invalid,,,,,C(C(=O)O)C(=O)O,
,,,9Y7:C:501,valid,ic50,=,0.672,uM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:D:501,valid,ic50,=,0.672,uM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,,9Y7:A:501,valid,ic50,=,0.672,uM,c1cc(ccc1Cc2c(nn(c2O)c3nc(cs3)C(=O)O)c4ccc(c(c4)F)F)S(=O)(=O)N,
,,5ZJD,,,,,,,
,,,NAI:H:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,MLI:F:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:G:402,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4AJH,,,,,,,
,,,2B4:B:1334,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,2B4:C:1336,valid,Kd,=,210,uM,c1cc(ccc1OC(C(=O)O)C(=O)O)Br,
,,,88S:A:1334,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:B:1333,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:C:1335,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:D:1335,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1332,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1337,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4RLS,,,,,,,
,,,SO4:C:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,49C:D:802,valid,ic50,=,0.36,uM,c1ccc2c(c1)CC[C@@]23CC(=C(C(=O)O3)Sc4ccccc4Cl)O,
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,2OP:C:803,invalid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:B:802,invalid,,,,,C[C@@H](C(=O)O)O,
,,4QO8,,,,,,,
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,36U:A:804,valid,Kd,=,1.8,uM,c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl,
,,,36U:D:803,valid,Kd,=,1.8,uM,c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl,
,,,36U:C:804,valid,Kd,=,1.8,uM,c1ccc(c(c1)SC2=C(C[C@@H](CC2=O)c3c(cccc3Cl)Cl)O)Cl,
,,,EPE:C:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,LAC:B:803,valid,,,,,C[C@H](C(=O)O)O,
,,4AJ4,,,,,,,
,,,MLI:A:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1332,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,VAB:A:1333,valid,Kd,=,130,uM,C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O,
,,,VAB:B:1333,valid,Kd,=,130,uM,C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O,
,,,VAB:C:1334,valid,Kd,=,130,uM,C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O,
,,,VAB:D:1334,valid,Kd,=,130,uM,C=CCSc1nc2ccc(cc2s1)NC(=O)CCC(=O)O,
,,4I8X,,,,,,,
,,,6P3:D:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:C:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:F:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:A:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:E:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:B:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:G:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,,6P3:H:401,valid,Kd,=,2300,uM,c1ccc(cc1)c2ccc(cn2)C(=O)O,
,,5W8L,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,9YA:A:402,valid,ic50,=,0.032,uM,c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N,
,,,9YA:C:402,valid,ic50,=,0.032,uM,c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N,
,,,9YA:B:402,valid,ic50,=,0.032,uM,c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N,
,,,9YA:D:402,valid,ic50,=,0.032,uM,c1ccc(cc1)c2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(cc6)S(=O)(=O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4AJN,,,,,,,
,,,88V:A:1332,valid,Kd,=,0.069,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88V:B:1333,valid,Kd,=,0.069,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88V:C:1332,valid,Kd,=,0.069,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88V:D:1332,valid,Kd,=,0.069,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,4M49,,,,,,,
,,,SO4:D:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,22Y:A:803,valid,Kd,=,5,uM,C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N,
,,,22Y:D:802,valid,Kd,=,5,uM,C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N,
,,,22Y:C:803,valid,Kd,=,5,uM,C[C@H](c1ccccc1)Nc2c(ncc(n2)c3cc(ccc3Cl)C(=O)O)N,
,,,EPE:C:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,LAC:B:803,valid,,,,,C[C@H](C(=O)O)O,
,,1I10,,,,,,,
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:B:806,invalid,,,,,CC(=O)[O-],
,,,ACT:C:809,invalid,,,,,CC(=O)[O-],
,,,ACT:D:812,invalid,,,,,CC(=O)[O-],
,,,ACT:E:815,invalid,,,,,CC(=O)[O-],
,,,ACT:F:818,invalid,,,,,CC(=O)[O-],
,,,ACT:G:821,invalid,,,,,CC(=O)[O-],
,,,ACT:H:824,invalid,,,,,CC(=O)[O-],
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:807,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:810,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:813,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:816,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:819,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:822,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXM:A:802,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:805,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:808,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:811,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:814,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:F:817,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:G:820,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:H:823,valid,,,,,C(=O)(C(=O)O)N,
,,4I9N,,,,,,,
,,,1E6:D:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:A:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:H:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:F:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:C:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:G:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:E:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E6:B:401,valid,Kd,=,360,uM,COc1cc(c(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl)OC[C@H](CO)O,
,,,1E5:C:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:E:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:D:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:F:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:A:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:H:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:B:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,,1E5:G:402,valid,Kd,=,1300,uM,c1cc(ncc1C(=O)O)c2cc(cc(c2)F)OCC(=O)O,
,,4AJK,,,,,,,
,,,88S:A:1332,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:B:1333,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:C:1333,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:D:1333,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1332,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5ES3,,,,,,,
,,,OXM:D:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:H:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:G:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:F:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:401,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:401,valid,,,,,C(=O)(C(=O)O)N,
,,6Q0D,,,,,,,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:500,invalid,,,,,C(C(CO)O)O,
,,,NAI:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,P8M:B:502,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,P8M:E:405,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,P8M:A:502,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,P8M:C:502,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,P8M:D:502,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,P8M:F:502,valid,ic50,=,22,nM,c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N,
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6Q13,,,,,,,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,P8V:C:402,valid,ic50,=,40,nM,Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N,
,,,P8V:D:402,valid,ic50,=,40,nM,Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N,
,,,P8V:B:402,valid,ic50,=,40,nM,Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N,
,,,P8V:A:402,valid,ic50,=,40,nM,Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4nc(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(=O)N,
,,4AJ2,,,,,,,
,,,52C:A:1333,valid,,,,,c1ccc(c(c1)c2[nH]nnn2)Cl,
,,,52C:B:1333,valid,,,,,c1ccc(c(c1)c2[nH]nnn2)Cl,
,,,52C:C:1333,valid,,,,,c1ccc(c(c1)c2[nH]nnn2)Cl,
,,,52C:D:1332,valid,,,,,c1ccc(c(c1)c2[nH]nnn2)Cl,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4AJJ,,,,,,,
,,,88R:B:1333,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,,88R:C:1335,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,,88S:A:1332,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:B:1332,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:C:1334,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,88S:D:1332,valid,Kd,=,770,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)N,
,,,DMS:C:1332,invalid,,,,,CS(=O)C,
,,,GOL:C:1333,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1333,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4AL4,,,,,,,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,W7E:A:1333,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:A:1334,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:B:1332,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:B:1333,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:C:1332,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:C:1333,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,W7E:D:1332,valid,Kd,=,0.13,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,5IXS,,,,,,,
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,6EY:B:403,valid,ic50,=,0.042,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl,
,,,6EY:A:403,valid,ic50,=,0.042,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl,
,,,6EY:D:802,valid,ic50,=,0.042,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl,
,,,6EY:C:403,valid,ic50,=,0.042,uM,c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl,
,,,TXD:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,TXD:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,TXD:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,EPE:B:401,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:401,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:401,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4AJI,,,,,,,
,,,88R:A:1332,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,,88R:B:1332,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,,88R:C:1332,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,,88R:D:1332,valid,Kd,=,280,uM,COc1ccc(cc1OC)CC(C(=O)O)C(=O)O,
,,3H3F,,,,,,,
,,,ACT:A:334,invalid,,,,,CC(=O)[O-],
,,,ACT:B:334,invalid,,,,,CC(=O)[O-],
,,,ACT:C:334,invalid,,,,,CC(=O)[O-],
,,,ACT:C:335,invalid,,,,,CC(=O)[O-],
,,,ACT:D:334,invalid,,,,,CC(=O)[O-],
,,,ACT:D:335,invalid,,,,,CC(=O)[O-],
,,,ACT:D:336,invalid,,,,,CC(=O)[O-],
,,,ACT:D:337,invalid,,,,,CC(=O)[O-],
,,,ACT:D:338,invalid,,,,,CC(=O)[O-],
,,,ACT:E:334,invalid,,,,,CC(=O)[O-],
,,,ACT:E:335,invalid,,,,,CC(=O)[O-],
,,,ACT:E:336,invalid,,,,,CC(=O)[O-],
,,,ACT:E:337,invalid,,,,,CC(=O)[O-],
,,,ACT:E:338,invalid,,,,,CC(=O)[O-],
,,,ACT:F:334,invalid,,,,,CC(=O)[O-],
,,,ACT:F:335,invalid,,,,,CC(=O)[O-],
,,,ACT:G:334,invalid,,,,,CC(=O)[O-],
,,,ACT:G:335,invalid,,,,,CC(=O)[O-],
,,,ACT:G:336,invalid,,,,,CC(=O)[O-],
,,,ACT:H:334,invalid,,,,,CC(=O)[O-],
,,,ACT:H:335,invalid,,,,,CC(=O)[O-],
,,,ACT:H:336,invalid,,,,,CC(=O)[O-],
,,,ACT:H:337,invalid,,,,,CC(=O)[O-],
,,,NAI:A:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXM:A:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:F:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:G:333,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:H:333,valid,,,,,C(=O)(C(=O)O)N,
,,4AJO,,,,,,,
,,,88N:A:1332,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:B:1333,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:C:1334,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,88N:D:1333,valid,Kd,=,0.093,uM,Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)C(=O)O,
,,,DMS:B:1332,invalid,,,,,CS(=O)C,
,,,DMS:C:1333,invalid,,,,,CS(=O)C,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1332,invalid,,,,,C(C(CO)O)O,
,,4JNK,,,,,,,
,,,SO4:D:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:C:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:802,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ZHK:C:803,valid,Kd,=,5.1,uM,C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl,
,,,ZHK:D:802,valid,Kd,=,5.1,uM,C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl,
,,,ZHK:A:803,valid,Kd,=,5.1,uM,C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl,
,,,NAI:C:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,LAC:B:803,valid,,,,,C[C@H](C(=O)O)O,
,,4AJL,,,,,,,
,,,88W:A:1333,valid,Kd,=,160,uM,CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C,
,,,88W:B:1333,valid,Kd,=,160,uM,CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C,
,,,88W:C:1336,valid,Kd,=,160,uM,CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C,
,,,88W:D:1333,valid,Kd,=,160,uM,CCNC(=O)NCCC(=O)Nc1ccc2c(c1)sc(n2)C,
,,,DMS:C:1333,invalid,,,,,CS(=O)C,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1334,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1332,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1337,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1338,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5NQB,,,,,,,
,,,MLI:C:401,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:402,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:402,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:401,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:402,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:401,valid,Ki,=,27,mM,C(C(=O)[O-])C(=O)[O-],
,,5NQQ,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OAA:D:402,valid,Ki,=,2.3,mM,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:C:402,valid,Ki,=,2.3,mM,C(C(=O)C(=O)O)C(=O)[O-],
,,4I9U,,,,,,,
,,,1E7:G:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:C:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:H:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:E:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:D:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:A:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:F:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,,1E7:B:401,valid,Kd,=,137,uM,COc1ccc(cc1NC(=O)CSc2ccc(cn2)C(=O)O)Cl,
,,4AJ1,,,,,,,
,,,AJ1:A:1333,valid,Kd,=,770,uM,CC(=O)Nc1ccc2c(c1)sc(n2)NC,
,,,AJ1:B:1333,valid,Kd,=,770,uM,CC(=O)Nc1ccc2c(c1)sc(n2)NC,
,,,AJ1:C:1333,valid,Kd,=,770,uM,CC(=O)Nc1ccc2c(c1)sc(n2)NC,
,,,AJ1:D:1334,valid,Kd,=,770,uM,CC(=O)Nc1ccc2c(c1)sc(n2)NC,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1333,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1334,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1335,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:1336,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,OXM:D:1332,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,1HYE,,,,,,,
,,,NAP:A:748,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5A1T,,,,,,,
,,,OXM:B:346,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:346,valid,,,,,C(=O)(C(=O)O)N,
,,,NAI:B:345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,4UUN,,,,,,,
,,,NAI:B:345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:345,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,2A92,,,,,,,
,,,NAI:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2AA3,,,,,,,
,,,AP0:A:1401,valid,,,,,CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O,
,,,AP0:B:1407,valid,,,,,CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O,
,,,AP0:C:1405,valid,,,,,CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O,
,,,AP0:D:1403,valid,,,,,CC(C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,9LDT,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1LTH,,,,,,,
,,,FBP:R:320,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:T:320,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,NAD:R:321,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:T:321,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:R:322,valid,,,,,C(=O)(C(=O)O)N,
,,1LLD,,,,,,,
,,,NAD:A:320,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:320,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1PZG,,,,,,,
,,,A3D:A:601,valid,Ki,=,25,mM,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:B:603,valid,Ki,=,25,mM,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:C:605,valid,Ki,=,25,mM,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:D:607,valid,Ki,=,25,mM,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1PZH,,,,,,,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:705,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:707,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXL:A:702,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:704,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:706,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:708,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1PZF,,,,,,,
,,,A3D:A:401,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:B:403,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:C:405,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,A3D:D:407,valid,,,,,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,,OXL:A:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:404,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:406,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:408,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,1LDM,,,,,,,
,,,NAD:A:330,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:331,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:332,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,1EZ4,,,,,,,
,,,NAD:A:1352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1353,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1354,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1355,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6CEP,,,,,,,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1I0Z,,,,,,,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:412,valid,,,,,C(=O)(C(=O)O)N,
,Family. Representative Entry is ,9LDB,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SOW,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXL:A:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:502,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,1LDN,,,,,,,
,,,FBP:A:353,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:353,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:E:353,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:F:353,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,NAD:A:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:352,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXM:A:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:F:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:G:351,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:H:351,valid,,,,,C(=O)(C(=O)O)N,
3.4.22.29,,,,,,,,,
,Family. Representative Entry is ,6T4C,,,,,,,
,,,K:C:405,Part of Protein,,,,,[K+],
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:B:302,invalid,,,,,[K+],
,,,K:A:307,Part of Protein,,,,,[K+],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSH:C:401,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,STE:A:301,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,6T48,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:A:309,Part of Protein,,,,,[K+],
,,,K:B:302,invalid,,,,,[K+],
,,,K:C:304,Part of Protein,,,,,[K+],
,,,K:A:308,Part of Protein,,,,,[K+],
,,,GSH:A:303,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CYS GLY:A:301,valid,,,,,SCC(N)C=O.O=C([O-])C[NH3+],
,,,CL:C:305,invalid,,,,,[Cl-],
,,,CL:C:306,invalid,,,,,[Cl-],
,,,STE:A:302,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6KU8,,,,,,,
,,,AG7:A:501,valid,,,,,CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccc(cc2)F)CC(=O)[C@H](C(C)C)NC(=O)c3cc(on3)C,
,Family. Representative Entry is ,4FVD,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,GLY SER ILE THR THR LEU GLY LYS PHE GLY:C:-1,valid,,,,,,
5.1.3.3,,,,,,,,,
,Family. Representative Entry is ,1NSZ,,,,,,,
,,,GLC:A:1400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1NS4,,,,,,,
,,,BGC:A:1400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1NS8,,,,,,,
,,,GLA:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1MN0,,,,,,,
,,,NI:A:349,Part of Protein,,,,,[Ni+2],
,,,XYS:A:348,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,XYS:B:348,valid,,,,,C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,1NSS,,,,,,,
,,,BGC:A:1400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1MMY,,,,,,,
,,,G6D:A:348,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,G6D:B:348,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,NA:A:349,Part of Protein,,,,,[Na+],
,,1L7K,,,,,,,
,,,GLA:A:500,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,1NS7,,,,,,,
,,,BGC:A:1400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1NSM,,,,,,,
,,,GAL:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:B:2401,Part of Protein,,,,,[Na+],
,,1MMZ,,,,,,,
,,,ARB:A:348,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:B:348,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,NA:A:349,Part of Protein,,,,,[Na+],
,,1NSR,,,,,,,
,,,BGC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:348,Part of Protein,,,,,[Na+],
,,1NSU,,,,,,,
,,,GLA:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1NS0,,,,,,,
,,,GLA:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1NSX,,,,,,,
,,,GAL:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,,1MMX,,,,,,,
,,,FUC:A:348,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:348,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NA:A:349,Part of Protein,,,,,[Na+],
,,1NS2,,,,,,,
,,,GAL:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:2400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NI:A:1401,Part of Protein,,,,,[Ni+2],
,,1MMU,,,,,,,
,,,BGC:A:348,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:348,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:349,Part of Protein,,,,,[Na+],
,,1NSV,,,,,,,
,,,BGC:A:1400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:1401,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1SO0,,,,,,,
,,,GAL:A:500,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:600,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:700,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:800,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
2.4.2.9,,,,,,,,,
,Family. Representative Entry is ,1UPF,,,,,,,
,,,SO4:A:599,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:799,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:599,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:799,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:599,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:799,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:599,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:799,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:899,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URF:A:999,valid,Ki,=,25,uM,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:999,valid,Ki,=,25,uM,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:999,valid,Ki,=,25,uM,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:999,valid,Ki,=,25,uM,C1=C(C(=O)NC(=O)N1)F,
,,1JLR,,,,,,,
,,,GTP:A:303,valid,Kd,=,465,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:301,valid,Kd,=,465,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:300,valid,Kd,=,465,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:302,valid,Kd,=,465,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:806,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JLS,,,,,,,
,,,PRP:B:301,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:B:3756,invalid,,,,,[Mg+2],
,,,PO4:A:1599,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3199,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:3599,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3699,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:2599,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3299,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:3399,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:3499,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:3799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,URA:A:400,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:300,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:600,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:500,valid,,,,,C1=CNC(=O)NC1=O,
,,1UPU,,,,,,,
,,,PO4:A:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U5P:A:999,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:999,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:999,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:999,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1BD4,,,,,,,
,,,PO4:A:799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:799,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:899,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,URA:A:999,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:999,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:999,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:999,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,1XTT,,,,,,,
,,,ACY:B:2252,invalid,,,,,CC(=O)O,
,,,ACY:D:4252,invalid,,,,,CC(=O)O,
,,,U5P:A:1250,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:2250,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:3250,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:4250,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1O5O,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U5P:A:600,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
4.3.1.2,,,,,,,,,
,Family. Representative Entry is ,1KKR,,,,,,,
,,,2AS:A:800,valid,,,,,C[C@H]([C]O)[C@@H](C(=O)(=O)O)N,
,,,2AS:A:801,valid,,,,,C[C@H]([C]O)[C@@H](C(=O)(=O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
1.1.1.218,,,,,,,,,
,Family. Representative Entry is ,2WZM,,,,,,,
,,,NA7:A:1284,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N,
,,,NA7:B:1284,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CO4)O)O)O)OP(=O)(O)O)N,
3.1.3.11,,,,,,,,,
,Family. Representative Entry is ,6AYU,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:403,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,F6P:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,6AYV,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,F6P:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MLI:A:409,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,3KC1,,,,,,,
,,,2T6:A:401,valid,ic50,=,1,nM,c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O,
,,,2T6:B:401,valid,ic50,=,1,nM,c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O,
,,,2T6:C:401,valid,ic50,=,1,nM,c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O,
,,,2T6:D:401,valid,ic50,=,1,nM,c1cc(c-2c(c1C(=O)N)Cc3c2ncs3)OCP(=O)(O)O,
,,1FSA,,,,,,,
,,,AMP:A:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:340,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MN:A:339,Part of Protein,,,,,[Mn+2],
,,,MN:B:339,Part of Protein,,,,,[Mn+2],
,,1RDY,,,,,,,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,1FPI,,,,,,,
,,,AHG:A:340,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:340,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,K:A:336,Part of Protein,,,,,[K+],
,,,K:A:337,Part of Protein,,,,,[K+],
,,,K:A:338,Part of Protein,,,,,[K+],
,,,K:B:336,Part of Protein,,,,,[K+],
,,,K:B:337,Part of Protein,,,,,[K+],
,,,K:B:338,Part of Protein,,,,,[K+],
,,1Q9D,,,,,,,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:411,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:414,Part of Protein,,,,,[Mg+2],
,,,MG:B:415,Part of Protein,,,,,[Mg+2],
,,,OI1:A:416,valid,ic50,=,1.87,uM,CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-],
,,,OI1:B:406,valid,ic50,=,1.87,uM,CCC[C@@H](C(=O)NCCc1ccc(cc1)O)[N+]2=C([C@@H]3Cc4ccccc4CN3C(=O)[C@@H]2Cc5ccc(cc5)O)[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:413,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1YZ0,,,,,,,
,,,AMP:A:1844,valid,Kd,=,2.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1841,valid,Kd,=,2.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:1843,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:1840,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:655,Part of Protein,,,,,[Mg+2],
,,,MG:B:656,Part of Protein,,,,,[Mg+2],
,,1NUX,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2342,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PO3:A:2340,invalid,,,,,[O-][P-](=O)[O-],
,,1RDZ,,,,,,,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,1FPF,,,,,,,
,,,AHG:A:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:336,Part of Protein,,,,,[Mn+2],
,,,MN:A:337,Part of Protein,,,,,[Mn+2],
,,,MN:B:336,Part of Protein,,,,,[Mn+2],
,,,MN:B:337,Part of Protein,,,,,[Mn+2],
,,1NV0,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2342,Part of Protein,,,,,[Mg+2],
,,,MG:A:2344,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2343,invalid,,,,,[Tl+],
,,1EYJ,,,,,,,
,,,AMP:A:341,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:342,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:339,Part of Protein,,,,,[Mg+2],
,,,MG:B:344,Part of Protein,,,,,[Mg+2],
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:343,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1FJ9,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:410,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:413,Part of Protein,,,,,[Zn+2],
,,,ZN:B:414,Part of Protein,,,,,[Zn+2],
,,1NV1,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2342,invalid,,,,,[Tl+],
,,,TL:A:2344,invalid,,,,,[Tl+],
,,,TL:A:2345,invalid,,,,,[Tl+],
,,,TL:A:2346,invalid,,,,,[Tl+],
,,,TL:A:2347,invalid,,,,,[Tl+],
,,,TL:A:2348,invalid,,,,,[Tl+],
,,1FPG,,,,,,,
,,,AHG:A:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:336,Part of Protein,,,,,[Mn+2],
,,,MN:A:337,Part of Protein,,,,,[Mn+2],
,,,MN:B:336,Part of Protein,,,,,[Mn+2],
,,,MN:B:337,Part of Protein,,,,,[Mn+2],
,,2QVU,,,,,,,
,,,FDP:A:338,valid,Kd,=,0.36,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:339,valid,Kd,=,0.36,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:A:340,Part of Protein,,,,,[Mg+2],
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:B:344,Part of Protein,,,,,[Mg+2],
,,,MG:B:345,Part of Protein,,,,,[Mg+2],
,,,PO4:A:342,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:343,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NUZ,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2342,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1YXI,,,,,,,
,,,F6P:A:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:340,Part of Protein,,,,,[Mg+2],
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:342,Part of Protein,,,,,[Mg+2],
,,,PO4:A:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:434,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QVV,,,,,,,
,,,FDP:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,PO4:A:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:339,Part of Protein,,,,,[Zn+2],
,,1FPD,,,,,,,
,,,AHG:A:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:336,Part of Protein,,,,,[Mn+2],
,,,MN:A:337,Part of Protein,,,,,[Mn+2],
,,,MN:B:336,Part of Protein,,,,,[Mn+2],
,,,MN:B:337,Part of Protein,,,,,[Mn+2],
,,1YYZ,,,,,,,
,,,AMP:A:435,valid,Kd,=,2.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:340,Part of Protein,,,,,[Mg+2],
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,PO4:A:434,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NV5,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2342,invalid,,,,,[Tl+],
,,,TL:A:2344,invalid,,,,,[Tl+],
,,,TL:A:2345,invalid,,,,,[Tl+],
,,,TL:A:2346,invalid,,,,,[Tl+],
,,,TL:A:2347,invalid,,,,,[Tl+],
,,,TL:A:2348,invalid,,,,,[Tl+],
,,1EYK,,,,,,,
,,,AMP:A:341,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:342,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:341,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:343,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:339,Part of Protein,,,,,[Zn+2],
,,,ZN:B:344,Part of Protein,,,,,[Zn+2],
,,4FBP,,,,,,,
,,,AMP:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1FPL,,,,,,,
,,,AHG:A:340,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:340,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,TL:A:336,invalid,,,,,[Tl+],
,,,TL:A:337,invalid,,,,,[Tl+],
,,,TL:A:338,invalid,,,,,[Tl+],
,,,TL:B:336,invalid,,,,,[Tl+],
,,,TL:B:337,invalid,,,,,[Tl+],
,,,TL:B:338,invalid,,,,,[Tl+],
,,1NUW,,,,,,,
,,,F6P:A:2336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2497,Part of Protein,,,,,[Mg+2],
,,,MG:A:2498,Part of Protein,,,,,[Mg+2],
,,,MG:A:2499,Part of Protein,,,,,[Mg+2],
,,,MG:A:2500,Part of Protein,,,,,[Mg+2],
,,,PO3:A:2496,invalid,,,,,[O-][P-](=O)[O-],
,,1NV6,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PI  TL:A:2340,invalid,,,,,,
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2344,invalid,,,,,[Tl+],
,,,TL:A:2345,invalid,,,,,[Tl+],
,,,TL:A:2351,invalid,,,,,[Tl+],
,,,TL:A:2352,invalid,,,,,[Tl+],
,,1FBH,,,,,,,
,,,AFP:A:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,AFP:B:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:A:337,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:337,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,1FPE,,,,,,,
,,,AHG:A:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:338,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:339,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:A:336,Part of Protein,,,,,[Mn+2],
,,,MN:A:337,Part of Protein,,,,,[Mn+2],
,,,MN:B:336,Part of Protein,,,,,[Mn+2],
,,,MN:B:337,Part of Protein,,,,,[Mn+2],
,,1LEV,,,,,,,
,,,CLI:A:342,valid,ic50,=,2.5,uM,c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl,
,,,CLI:F:339,valid,ic50,=,2.5,uM,c1c(cc(c2c1[nH]c(c2CCC(=O)O)C(=O)O)Cl)Cl,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:F:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MN:A:340,Part of Protein,,,,,[Mn+2],
,,,MN:A:341,Part of Protein,,,,,[Mn+2],
,,,MN:F:342,Part of Protein,,,,,[Mn+2],
,,,MN:F:343,Part of Protein,,,,,[Mn+2],
,,3KBZ,,,,,,,
,,,2T4:A:401,valid,ic50,=,124,nM,c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2,
,,,2T4:B:401,valid,ic50,=,124,nM,c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2,
,,,2T4:C:401,valid,ic50,=,124,nM,c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2,
,,,2T4:D:401,valid,ic50,=,124,nM,c1cc2c(c(c1)OCP(=O)(O)O)-c3c(sc(n3)N)C2,
,,1NUY,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2342,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NV3,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2343,invalid,,,,,[Tl+],
,,,TL:A:2344,invalid,,,,,[Tl+],
,,,TL:A:2351,invalid,,,,,[Tl+],
,,,TL:A:2352,invalid,,,,,[Tl+],
,,1EYI,,,,,,,
,,,F6P:A:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:341,Part of Protein,,,,,[Mg+2],
,,,MG:A:342,Part of Protein,,,,,[Mg+2],
,,,PO4:A:338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1CNQ,,,,,,,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:A:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:341,Part of Protein,,,,,[Zn+2],
,,,ZN:A:342,Part of Protein,,,,,[Zn+2],
,,,ZN:A:343,Part of Protein,,,,,[Zn+2],
,,1NV7,,,,,,,
,,,AMP:A:3337,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:4337,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:3336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:4336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:3341,Part of Protein,,,,,[Mg+2],
,,,MG:B:4341,Part of Protein,,,,,[Mg+2],
,,,PO4:A:3434,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4434,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:3351,invalid,,,,,[Tl+],
,,,TL:A:3352,invalid,,,,,[Tl+],
,,,TL:A:3353,invalid,,,,,[Tl+],
,,,TL:A:3354,invalid,,,,,[Tl+],
,,,TL:B:4351,invalid,,,,,[Tl+],
,,,TL:B:4352,invalid,,,,,[Tl+],
,,,TL:B:4353,invalid,,,,,[Tl+],
,,,TL:B:4354,invalid,,,,,[Tl+],
,,1FPJ,,,,,,,
,,,AHG:A:339,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AHG:B:339,valid,,,,,C([C@H]1[C@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O,
,,,AMP:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,TL:A:336,invalid,,,,,[Tl+],
,,,TL:A:337,invalid,,,,,[Tl+],
,,,TL:B:336,invalid,,,,,[Tl+],
,,,TL:B:337,invalid,,,,,[Tl+],
,,1KZ8,,,,,,,
,,,AMP:A:737,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:F:837,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:736,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:F:836,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MN:A:739,Part of Protein,,,,,[Mn+2],
,,,MN:F:839,Part of Protein,,,,,[Mn+2],
,,,PFE:A:738,valid,ic50,=,0.83,uM,CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO,
,,,PFE:F:838,valid,ic50,=,0.83,uM,CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n4)CO,
,,1NV4,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2342,Part of Protein,,,,,[Mg+2],
,,,MG:A:2344,Part of Protein,,,,,[Mg+2],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2340,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2341,invalid,,,,,[Tl+],
,,,TL:A:2343,invalid,,,,,[Tl+],
,,,TL:A:2345,invalid,,,,,[Tl+],
,,1FJ6,,,,,,,
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PO4:A:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,1FRP,,,,,,,
,,,AMP:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FDP:A:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,FDP:B:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,ZN:A:337,Part of Protein,,,,,[Zn+2],
,,,ZN:B:337,Part of Protein,,,,,[Zn+2],
,,6LW2,,,,,,,
,,,EW0:A:401,valid,ic50,=,0.029,uM,Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC,
,,,EW0:D:401,valid,ic50,=,0.029,uM,Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC,
,,,EW0:B:401,valid,ic50,=,0.029,uM,Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC,
,,,EW0:C:401,valid,ic50,=,0.029,uM,Cn1c(cc2c1c(ccc2Nc3cccc(c3)OC)Cl)C(=O)NS(=O)(=O)c4ccc(cc4)OC,
,,1FTA,,,,,,,
,,,AMP:A:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:338,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1NV2,,,,,,,
,,,F6P:A:2339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:2341,Part of Protein,,,,,[Mg+2],
,,,MG:A:2343,Part of Protein,,,,,[Mg+2],
,,,PI:A:2340,invalid,,,,,OP(=O)([O-])[O-],
,,,PO4:A:2338,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TL:A:2342,invalid,,,,,[Tl+],
,,,TL:A:2344,invalid,,,,,[Tl+],
,,,TL:A:2345,invalid,,,,,[Tl+],
,,,TL:A:2346,invalid,,,,,[Tl+],
,,,TL:A:2347,invalid,,,,,[Tl+],
,,,TL:A:2348,invalid,,,,,[Tl+],
,,1FBP,,,,,,,
,,,AMP:A:337,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:337,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,F6P:A:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:A:338,Part of Protein,,,,,[Mg+2],
,,,MG:B:338,Part of Protein,,,,,[Mg+2],
,,5FBP,,,,,,,
,,,F6P:A:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:A:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:336,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2JJK,,,,,,,
,,,R15:A:1336,valid,ic50,=,9,nM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl,
,,,R15:D:1336,valid,ic50,=,9,nM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)NCCCCCCCNC(=O)NS(=O)(=O)c2cccc(c2)Cl,
,,2VT5,,,,,,,
,,,ROK ROK:A:1337,valid,,,,,,
,,,ROK ROK:B:1337,valid,,,,,,
,,,ROK ROK:E:1337,valid,,,,,,
,,,ROK ROK:F:1337,valid,,,,,,
,,6LS5,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,EUF:A:401,invalid,,,,,CCSSc1nc2ccccc2s1,
,,,AMP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2WBB,,,,,,,
,,,RO3:A:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:B:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:C:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:D:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:E:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:F:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:G:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,,RO3:H:1336,valid,ic50,=,0.92,uM,Cc1ccc(cc1)S(=O)(=O)NC(=O)N=C2NC=C(S2)Br,
,,2Y5L,,,,,,,
,,,RO8:A:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:B:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:C:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:D:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:E:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:F:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:G:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,,RO8:H:1000,valid,ic50,=,0.33,uM,c1cc(cc(c1)Cl)S(=O)(=O)NC(=O)/N=C2/NC=C(S2)Br,
,,2WBD,,,,,,,
,,,RO5:A:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:B:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:C:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:D:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:E:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:F:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:G:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,,RO5:H:1337,valid,ic50,=,0.23,uM,CCc1cccc(c1)S(=O)(=O)NC(=O)Nc2ncc(s2)Br,
,,4MJO,,,,,,,
,,,2C1:G:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:H:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:E:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:B:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:C:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:A:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:F:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,,2C1:D:401,valid,Kd,=,0.6,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)Br,
,,2Y5K,,,,,,,
,,,YCU:A:1336,valid,ic50,=,0.22,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC,
,,,YCU:B:1336,valid,ic50,=,0.22,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC,
,,,YCU:C:1336,valid,ic50,=,0.22,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC,
,,,YCU:D:1336,valid,ic50,=,0.22,uM,Cc1cc(sc1CCOC)S(=O)(=O)NC(=O)Nc2cc(cc(n2)NC(=O)NC)OC,
,Family. Representative Entry is ,3LL4,,,,,,,
,,,2FP:A:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,2FP:B:301,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1UMG,,,,,,,
,,,2FP:A:400,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,3OI7,,,,,,,
,,,EDO:A:273,invalid,,,,,C(CO)O,
,,,EDO:A:274,invalid,,,,,C(CO)O,
,,,EDO:B:273,invalid,,,,,C(CO)O,
,,,EDO:C:274,invalid,,,,,C(CO)O,
,,,EDO:C:275,invalid,,,,,C(CO)O,
,,,EDO:D:273,invalid,,,,,C(CO)O,
,,,EDO:D:274,invalid,,,,,C(CO)O,
,,,EDO:D:275,invalid,,,,,C(CO)O,
,,,GOL:A:275,invalid,,,,,C(C(CO)O)O,
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,MG:B:311,Part of Protein,,,,,[Mg+2],
,,,MG:C:311,Part of Protein,,,,,[Mg+2],
,,,MG:D:311,Part of Protein,,,,,[Mg+2],
,,,NA:A:272,Part of Protein,,,,,[Na+],
,,,NA:B:272,Part of Protein,,,,,[Na+],
,,,NA:C:272,Part of Protein,,,,,[Na+],
,,,NA:C:273,Part of Protein,,,,,[Na+],
,,,NA:D:272,Part of Protein,,,,,[Na+],
,,,OI7:A:301,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,OI7:B:301,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,OI7:C:301,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,OI7:D:301,valid,,,,,C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2Q8M,,,,,,,
,,,AMP:A:341,valid,Ki,=,94,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:343,valid,Ki,=,94,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BG6:A:340,valid,Ki,~,700,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:A:351,invalid,,,,,[Cl-],
,,,CL:B:349,invalid,,,,,[Cl-],
,,,FBP:A:344,valid,ic50,=,6,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:342,valid,ic50,=,6,uM,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:347,Part of Protein,,,,,[Mg+2],
,,,MG:A:348,Part of Protein,,,,,[Mg+2],
,,,MG:B:345,Part of Protein,,,,,[Mg+2],
,,,MG:B:346,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4HE2,,,,,,,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,AMP:A:401,valid,ic50,=,3.65,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO3:A:402,invalid,,,,,[O-][P-](=O)[O-],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,5ET6,,,,,,,
,,,AMP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4HE1,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,F6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2OWZ,,,,,,,
,,,CIT:A:604,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,F6P:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,2QVR,,,,,,,
,,,CIT:A:335,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FDP:A:333,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,,MG:A:334,Part of Protein,,,,,[Mg+2],
,,2OX3,,,,,,,
,,,F6P:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,PEP:A:604,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3D1R,,,,,,,
,,,CA:A:337,Part of Protein,,,,,[Ca+2],
,,,CA:A:3500,Part of Protein,,,,,[Ca+2],
,,,CL:A:3503,invalid,,,,,[Cl-],
,,,FBP:A:3499,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:3502,Part of Protein,,,,,[Mg+2],
,,,MG:A:3504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1LBZ,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CA:A:291,Part of Protein,,,,,[Ca+2],
,,,CA:A:292,Part of Protein,,,,,[Ca+2],
,,,CA:B:590,Part of Protein,,,,,[Ca+2],
,,,CA:B:591,Part of Protein,,,,,[Ca+2],
,,,CA:B:592,Part of Protein,,,,,[Ca+2],
,,,FBP:A:295,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:595,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,1LBY,,,,,,,
,,,F6P:A:295,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:595,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MN:A:290,Part of Protein,,,,,[Mn+2],
,,,MN:A:291,Part of Protein,,,,,[Mn+2],
,,,MN:A:292,Part of Protein,,,,,[Mn+2],
,,,MN:B:590,Part of Protein,,,,,[Mn+2],
,,,MN:B:591,Part of Protein,,,,,[Mn+2],
,,,MN:B:592,Part of Protein,,,,,[Mn+2],
,,,PO4:A:293,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:593,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LBX,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CA:A:291,Part of Protein,,,,,[Ca+2],
,,,CA:B:590,Part of Protein,,,,,[Ca+2],
,,,CA:B:591,Part of Protein,,,,,[Ca+2],
,,,IPD:A:295,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:B:595,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
1.13.12.-,,,,,,,,,
,Family. Representative Entry is ,3W8X,,,,,,,
,,,FTK:A:601,valid,,,,,c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F,
,,,FTK:B:601,valid,,,,,c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,6FOQ,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:C:503,invalid,,,,,O=O,
,,,OXY:D:503,invalid,,,,,O=O,
,,,OXY:B:503,invalid,,,,,O=O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,,OXY:A:503,invalid,,,,,O=O,
,,6FP3,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,6FYE,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FYC,,,,,,,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FYB,,,,,,,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FOW,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,OXY:A:502,invalid,,,,,O=O,
,,,OXY:C:502,invalid,,,,,O=O,
,,,OXY:B:502,invalid,,,,,O=O,
,,,OXY:D:502,invalid,,,,,O=O,
,,6FYF,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3W8Z,,,,,,,
,,,HTK:B:601,valid,,,,,C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O,
,,,HTK:A:601,valid,,,,,C[C@@H](CC(=O)CC(=O)CC(=O)c1ccccc1)O,
,,,FAD:B:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6FYD,,,,,,,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3S5W,,,,,,,
,,,FAD:A:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:444,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:452,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:445,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ONH:A:445,valid,,,,,C(C[C@@H](C(=O)O)N)CNO,
,,,ONH:B:447,valid,,,,,C(C[C@@H](C(=O)O)N)CNO,
,,,PO4:A:444,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:446,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:446,invalid,,,,,[O-]P(=O)([O-])[O-],
2.3.1.74,,,,,,,,,
,Family. Representative Entry is ,1D6H,,,,,,,
,,,COA:A:390,valid,Kd,=,128,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1U0W,,,,,,,
,,,STL:A:2000,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:B:2001,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:C:2002,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,STL:D:2003,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,1CHW,,,,,,,
,,,HXC:A:390,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:B:391,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,1CGZ,,,,,,,
,,,STL:A:390,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,1CML,,,,,,,
,,,MLC:A:390,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,PIN:A:391,invalid,,,,,C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O,
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BQ6,,,,,,,
,,,COA:A:390,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CGK,,,,,,,
,,,NAR:A:390,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,Family. Representative Entry is ,1EE0,,,,,,,
,,,CAA:A:600,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:700,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,7BUR,,,,,,,
,,,NAR:A:401,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:B:401,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,CIT:A:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1TED,,,,,,,
,,,MYR:A:3045,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:3046,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:C:3047,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:D:3048,valid,,,,,CCCCCCCCCCCCCC(=O)O,
3.4.21.100,,,,,,,,,
,Family. Representative Entry is ,1NLU,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,IVA PHI TYB:B:1,valid,,,,,,
,,,IVA PHI TYB:C:1,valid,,,,,,
3.1.1.1,,,,,,,,,
,Family. Representative Entry is ,5FRD,,,,,,,
,,,PEG:B:1257,invalid,,,,,C(COCCO)O,
,,,FLC:B:1254,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,PGE:B:1253,invalid,,,,,C(COCCOCCO)O,
,,,CL:B:1256,invalid,,,,,[Cl-],
,,,CL:A:1258,invalid,,,,,[Cl-],
,,,COA:B:1255,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1257,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2H7C,,,,,,,
,,,COA:A:1,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:3,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:4,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:5,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:6,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NAG:B:279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:479,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:579,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:379,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:D:482,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:582,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SO4:A:185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:285,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:684,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:685,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MX1,,,,,,,
,,,NAG:A:179,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:279,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:479,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:579,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:679,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:680,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NDG:G:1,Part of Protein,,,,,,
,,,SIA:A:182,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:282,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:D:482,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:582,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,THA:A:1,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,THA:B:2,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,THA:C:3,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,THA:D:4,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,THA:E:5,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,,,THA:F:6,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)N,
,Family. Representative Entry is ,1K4Y,,,,,,,
,,,4PN:A:2001,valid,,,,,C1CCN(CC1)C2CCNCC2,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,Family. Representative Entry is ,1JU4,,,,,,,
,,,BEZ:A:584,valid,,,,,c1ccc(cc1)C(=O)O,
,,1L7Q,,,,,,,
,,,BEZ:A:600,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,5AOA,,,,,,,
,,,PG4:A:1283,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1284,invalid,,,,,C(COCCOCCOCCO)O,
,,,PPI:A:1285,valid,,,,,CCC(=O)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1293,invalid,,,,,C(CO)O,
,,,EDO:A:1292,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:A:1294,invalid,,,,,C(CO)O,
,,,CL:A:1295,invalid,,,,,[Cl-],
,,,PEG:A:1286,invalid,,,,,C(COCCO)O,
,,,PEG:A:1287,invalid,,,,,C(COCCO)O,
,,,PEG:A:1288,invalid,,,,,C(COCCO)O,
,,,PEG:A:1289,invalid,,,,,C(COCCO)O,
,,5AOC,,,,,,,
,,,PEG:A:1293,invalid,,,,,C(COCCO)O,
,,,PEG:A:1295,invalid,,,,,C(COCCO)O,
,,,PEG:A:1294,invalid,,,,,C(COCCO)O,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,EDO:A:1291,invalid,,,,,C(CO)O,
,,,EDO:A:1292,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1290,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,PG4:A:1284,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1285,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:1296,invalid,,,,,[Cl-],
,,,LEA:A:1283,valid,,,,,CCCCC(=O)O,
,,5AOB,,,,,,,
,,,EDO:A:1288,invalid,,,,,C(CO)O,
,,,EDO:A:1287,invalid,,,,,C(CO)O,
,,,EDO:A:1286,invalid,,,,,C(CO)O,
,,,EDO:A:1289,invalid,,,,,C(CO)O,
,,,PG4:A:1283,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1284,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:1292,invalid,,,,,C(COCCO)O,
,,,PEG:A:1291,invalid,,,,,C(COCCO)O,
,,,CL:A:1290,invalid,,,,,[Cl-],
,,,BUA:A:1285,valid,,,,,CCCC(=O)O,
,Family. Representative Entry is ,4OB6,,,,,,,
,,,S2T:A:401,valid,,,,,CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O,
,,,S2T:A:402,valid,,,,,CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O,
,,,S2T:A:403,valid,,,,,CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O,
,,4OU4,,,,,,,
,,,S2T:A:401,valid,,,,,CC(=O)O[C@@H](c1ccccc1Cl)C(=O)O,
,Family. Representative Entry is ,4UHF,,,,,,,
,,,BUA:A:1281,valid,,,,,CCCC(=O)O,
,,,BUA:A:1284,valid,,,,,CCCC(=O)O,
,,,BUA:A:1283,valid,,,,,CCCC(=O)O,
,,,PGE:A:1282,invalid,,,,,C(COCCOCCO)O,
,,,CAD:A:1280,invalid,,,,,C[As](=O)(C)O,
,,4UHE,,,,,,,
,,,PGE:A:1274,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:1275,invalid,,,,,[Cl-],
,,,CL:A:1276,invalid,,,,,[Cl-],
,,,MLT:A:1277,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,4C01,,,,,,,
,,,SO4:D:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CCN:A:1281,invalid,,,,,CC#N,
,,,CCN:D:1279,invalid,,,,,CC#N,
,,,CCN:D:1280,invalid,,,,,CC#N,
,,,CCN:A:1280,invalid,,,,,CC#N,
,,,CCN:F:1278,invalid,,,,,CC#N,
,,,CCN:A:1279,invalid,,,,,CC#N,
,,,CCN:B:1280,invalid,,,,,CC#N,
,,,CCN:F:1279,invalid,,,,,CC#N,
,,,CCN:F:1280,invalid,,,,,CC#N,
,,,CCN:E:1280,invalid,,,,,CC#N,
,,,CCN:B:1279,invalid,,,,,CC#N,
,,,CCN:C:1280,invalid,,,,,CC#N,
,,,ACT:D:1276,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1276,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1276,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1276,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1276,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1276,invalid,,,,,CC(=O)[O-],
,,,QY9:C:1279,valid,,,,,CC(=O)Oc1ccccc1,
,,,QY9:E:1279,valid,,,,,CC(=O)Oc1ccccc1,
,,,QY9:A:1278,valid,,,,,CC(=O)Oc1ccccc1,
,,,QY9:F:1277,valid,,,,,CC(=O)Oc1ccccc1,
,,,QY9:B:1278,valid,,,,,CC(=O)Oc1ccccc1,
,Family. Representative Entry is ,4CCW,,,,,,,
,,,VKC:A:1294,valid,,,,,C(COCC(=O)O)O,
,Family. Representative Entry is ,6IEY,,,,,,,
,,,CLM:A:401,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
2.1.1.4,,,,,,,,,
,Family. Representative Entry is ,4A6D,,,,,,,
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:1350,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1348,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1349,Part of Protein,,,,,[Zn+2],
2.4.1.44,,,,,,,,,
,Family. Representative Entry is ,1GA8,,,,,,,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,UPF:A:501,valid,Ki,=,2,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O,
,,,BGC Z9D:B:1,valid,Ki,=,16,mM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)CC(CO)O1,
,,1G9R,,,,,,,
,,,ACY:A:700,invalid,,,,,CC(=O)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,UPF:A:401,valid,Ki,=,2,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O,
1.8.1.4,,,,,,,,,
,Family. Representative Entry is ,2A8X,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:580,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:590,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6I4R,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTB:A:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6I4P,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTB:A:507,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:506,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5J5Z,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6I4S,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5NHG,,,,,,,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TRS:G:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BTB:C:503,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,6I4Q,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTB:A:502,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:502,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6I4U,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:A:506,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6I4T,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:A:506,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6I4Z,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1ZMD,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAI:A:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2023,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2024,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2025,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2026,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2027,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2028,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2029,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2030,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3RNM,,,,,,,
,,,BME:A:500,invalid,,,,,C(CS)O,
,,,BME:B:500,invalid,,,,,C(CS)O,
,,,BME:C:500,invalid,,,,,C(CS)O,
,,,BME:D:500,invalid,,,,,C(CS)O,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NHE:A:475,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:475,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:C:475,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:D:475,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,Family. Representative Entry is ,4M52,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,M52:A:502,valid,Ki,=,140,nM,C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br,
,,,M52:D:502,valid,Ki,=,140,nM,C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br,
,,,M52:C:502,valid,Ki,=,140,nM,C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br,
,,,M52:B:502,valid,Ki,=,140,nM,C[N@@](CC(=O)Nc1ccc(cc1)OC)S(=O)(=O)c2cc(cnc2N)Br,
,,3II4,,,,,,,
,,,3II:A:465,valid,Ki,=,865,nM,COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl,
,,,3II:B:465,valid,Ki,=,865,nM,COc1ccc(c(c1)OC)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCc5ccc(cc5Cl)Cl,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:580,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1V59,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:481,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:482,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:483,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:484,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JEH,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:580,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3LAD,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4JDR,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1LVL,,,,,,,
,,,FAD:A:459,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:460,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5U8U,,,,,,,
,,,FAD:D:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:D:502,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:C:506,invalid,,,,,CS(=O)C,
,,,DMS:B:512,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:D:503,invalid,,,,,CS(=O)C,
,,,DMS:C:505,invalid,,,,,CS(=O)C,
,,,DMS:D:509,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:C:507,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:D:511,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:C:503,invalid,,,,,CS(=O)C,
,,,DMS:C:510,invalid,,,,,CS(=O)C,
,,,DMS:D:507,invalid,,,,,CS(=O)C,
,,,DMS:C:502,invalid,,,,,CS(=O)C,
,,,DMS:B:511,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:D:508,invalid,,,,,CS(=O)C,
,,,DMS:D:510,invalid,,,,,CS(=O)C,
,,,DMS:C:509,invalid,,,,,CS(=O)C,
,,,DMS:C:511,invalid,,,,,CS(=O)C,
,,,DMS:D:504,invalid,,,,,CS(=O)C,
,,,DMS:C:508,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:D:506,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:B:510,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:B:509,invalid,,,,,CS(=O)C,
,,,DMS:D:505,invalid,,,,,CS(=O)C,
,,5U8W,,,,,,,
,,,FAD:D:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:C:506,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:C:505,invalid,,,,,CS(=O)C,
,,,DMS:D:503,invalid,,,,,CS(=O)C,
,,,DMS:D:504,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:C:507,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:C:503,invalid,,,,,CS(=O)C,
,,,DMS:C:508,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:D:505,invalid,,,,,CS(=O)C,
,,,NAI:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5U8V,,,,,,,
,,,FAD:D:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,Kd,=,84,mM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:C:506,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:D:503,invalid,,,,,CS(=O)C,
,,,DMS:C:505,invalid,,,,,CS(=O)C,
,,,DMS:D:509,invalid,,,,,CS(=O)C,
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:C:507,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:C:503,invalid,,,,,CS(=O)C,
,,,DMS:C:510,invalid,,,,,CS(=O)C,
,,,DMS:D:507,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:D:508,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,DMS:C:509,invalid,,,,,CS(=O)C,
,,,DMS:C:511,invalid,,,,,CS(=O)C,
,,,DMS:D:504,invalid,,,,,CS(=O)C,
,,,DMS:C:508,invalid,,,,,CS(=O)C,
,,,DMS:D:506,invalid,,,,,CS(=O)C,
,,,DMS:B:510,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:B:509,invalid,,,,,CS(=O)C,
,,,DMS:D:505,invalid,,,,,CS(=O)C,
,,,NAD:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2F5Z,,,,,,,
,,,FAD:A:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:480,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:2482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2489,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2490,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2491,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2496,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2497,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2498,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2499,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:2509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:2513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:2514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:2515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:2516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:2517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:2518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:2519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:2520,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.35,,,,,,,,,
,Family. Representative Entry is ,4GLL,,,,,,,
,,,GAI:A:801,invalid,,,,,C(=N)(N)N,
,,,GAI:B:502,invalid,,,,,C(=N)(N)N,
,,,NAD:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
6.3.1.1,,,,,,,,,
,Family. Representative Entry is ,12AS,,,,,,,
,,,AMP:A:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:332,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,11AS,,,,,,,
,,,ASN:A:331,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:331,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
2.7.6.2,,,,,,,,,
,Family. Representative Entry is ,1IG3,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VIB:A:502,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:501,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,2F17,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EPE:B:2201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,PYI:A:902,valid,,,,,Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,PYI:B:2202,valid,,,,,Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2G9Z,,,,,,,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:B:706,invalid,,,,,[Cl-],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:708,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VNP:A:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O,
,,,VNP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(NP(=O)(O)O)O,
,,2HH9,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,VIB:A:702,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,Family. Representative Entry is ,1IG0,,,,,,,
,,,VIB:A:702,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:701,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
4.3.1.12,,,,,,,,,
,Family. Representative Entry is ,5YU3,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,PRO:C:403,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:403,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:403,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:403,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,5YU4,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,DAB:B:403,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,,DAB:A:403,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,,DAB:D:403,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,,DAB:C:403,invalid,,,,,C(CN)[C@@H](C(=O)O)N,
,,5YU0,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,5YU1,,,,,,,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:C:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:D:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,YCP:D:403,valid,,,,,C1CCN[C@@H](C1)C(=O)O,
,,,YCP:C:403,valid,,,,,C1CCN[C@@H](C1)C(=O)O,
,,,YCP:A:403,valid,,,,,C1CCN[C@@H](C1)C(=O)O,
,,,YCP:B:403,valid,,,,,C1CCN[C@@H](C1)C(=O)O,
,Family. Representative Entry is ,1X7D,,,,,,,
,,,MES:B:3158,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MPD:A:1401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1406,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1501,Part of Protein,,,,,[Na+],
,,,NA:B:1502,Part of Protein,,,,,[Na+],
,,,NAD:A:1302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ORN:A:1101,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:1102,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,1U7H,,,,,,,
,,,MPD:A:901,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:902,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:904,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:903,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:911,Part of Protein,,,,,[Na+],
,,,NA:B:912,Part of Protein,,,,,[Na+],
,,,NAD:A:802,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.1.1.76,,,,,,,,,
,Family. Representative Entry is ,3IP8,,,,,,,
,,,B85:A:249,valid,Ki,=,5.2,mM,c1ccc(cc1)CP(=O)(O)O,
,,3IXL,,,,,,,
,,,GOL:A:4000,invalid,,,,,C(C(CO)O)O,
,,,PAC:A:5000,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,SO4:A:6000,invalid,,,,,[O-]S(=O)(=O)[O-],
3.5.1.52,,,,,,,,,
,Family. Representative Entry is ,1PNF,,,,,,,
,,,NDG NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2I74,,,,,,,
,,,ACT:A:11,invalid,,,,,CC(=O)[O-],
,,,ACT:A:14,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9,invalid,,,,,CC(=O)[O-],
,,,ACT:B:10,invalid,,,,,CC(=O)[O-],
,,,ACT:B:12,invalid,,,,,CC(=O)[O-],
,,,ACT:B:13,invalid,,,,,CC(=O)[O-],
,,,GOL:A:15,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:17,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:16,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN MAN MAN:C:1,valid,Kd,~,67,uM,,
,,,MAN MAN MAN MAN:D:1,valid,Kd,~,67,uM,,
,Family. Representative Entry is ,2HPL,,,,,,,
,,,ASP ASP LEU TYR GLY:B:802,valid,,,,,,
5.1.3.18,,,,,,,,,
,Family. Representative Entry is ,2C5A,,,,,,,
,,,BTB:B:1380,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FMT:A:1379,invalid,,,,,C(=O)O,
,,,FMT:A:1380,invalid,,,,,C(=O)O,
,,,FMT:A:1381,invalid,,,,,C(=O)O,
,,,FMT:A:1382,invalid,,,,,C(=O)O,
,,,FMT:A:1383,invalid,,,,,C(=O)O,
,,,FMT:A:1384,invalid,,,,,C(=O)O,
,,,FMT:A:1385,invalid,,,,,C(=O)O,
,,,FMT:A:1386,invalid,,,,,C(=O)O,
,,,FMT:A:1387,invalid,,,,,C(=O)O,
,,,FMT:A:1388,invalid,,,,,C(=O)O,
,,,FMT:A:1389,invalid,,,,,C(=O)O,
,,,FMT:A:1390,invalid,,,,,C(=O)O,
,,,FMT:B:1375,invalid,,,,,C(=O)O,
,,,FMT:B:1376,invalid,,,,,C(=O)O,
,,,FMT:B:1377,invalid,,,,,C(=O)O,
,,,FMT:B:1378,invalid,,,,,C(=O)O,
,,,FMT:B:1379,invalid,,,,,C(=O)O,
,,,GDC:A:1376,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDC:B:1372,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,NAD:A:1378,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1374,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2C5E,,,,,,,
,,,FMT:A:1376,invalid,,,,,C(=O)O,
,,,FMT:A:1377,invalid,,,,,C(=O)O,
,,,FMT:A:1378,invalid,,,,,C(=O)O,
,,,FMT:A:1379,invalid,,,,,C(=O)O,
,,,FMT:A:1380,invalid,,,,,C(=O)O,
,,,FMT:B:1374,invalid,,,,,C(=O)O,
,,,FMT:B:1375,invalid,,,,,C(=O)O,
,,,FMT:B:1376,invalid,,,,,C(=O)O,
,,,FMT:B:1377,invalid,,,,,C(=O)O,
,,,FMT:B:1378,invalid,,,,,C(=O)O,
,,,GDD:A:1375,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:1372,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,NAD:A:1381,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1373,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2C59,,,,,,,
,,,BTB:B:1376,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FMT:A:1380,invalid,,,,,C(=O)O,
,,,FMT:A:1381,invalid,,,,,C(=O)O,
,,,FMT:A:1382,invalid,,,,,C(=O)O,
,,,FMT:B:1371,invalid,,,,,C(=O)O,
,,,FMT:B:1372,invalid,,,,,C(=O)O,
,,,FMT:B:1373,invalid,,,,,C(=O)O,
,,,FMT:B:1374,invalid,,,,,C(=O)O,
,,,FMT:B:1375,invalid,,,,,C(=O)O,
,,,GDC:A:1378,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDC:B:1378,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:A:1377,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:1377,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,NAD:A:1379,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1380,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2C54,,,,,,,
,,,EPE:A:1390,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FMT:A:1381,invalid,,,,,C(=O)O,
,,,FMT:A:1382,invalid,,,,,C(=O)O,
,,,FMT:A:1383,invalid,,,,,C(=O)O,
,,,FMT:A:1384,invalid,,,,,C(=O)O,
,,,FMT:A:1385,invalid,,,,,C(=O)O,
,,,FMT:A:1386,invalid,,,,,C(=O)O,
,,,FMT:A:1387,invalid,,,,,C(=O)O,
,,,FMT:A:1388,invalid,,,,,C(=O)O,
,,,FMT:A:1389,invalid,,,,,C(=O)O,
,,,FMT:B:1378,invalid,,,,,C(=O)O,
,,,FMT:B:1379,invalid,,,,,C(=O)O,
,,,FMT:B:1380,invalid,,,,,C(=O)O,
,,,FMT:B:1381,invalid,,,,,C(=O)O,
,,,FMT:B:1382,invalid,,,,,C(=O)O,
,,,FMT:B:1383,invalid,,,,,C(=O)O,
,,,FMT:B:1384,invalid,,,,,C(=O)O,
,,,FMT:B:1385,invalid,,,,,C(=O)O,
,,,FMT:B:1386,invalid,,,,,C(=O)O,
,,,GKD:A:1374,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N,
,,,GKD:B:1374,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H](C(=O)[C@@H](O4)CO)O)O)O)O)N=C(NC2=O)N,
,,,GKE:A:1372,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GKE:B:1372,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,NAD:A:1378,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1375,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.1.3.8,,,,,,,,,
,Family. Representative Entry is ,3K4Q,,,,,,,
,,,IHS:A:500,valid,Ki,=,4.6,uM,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:B:500,valid,Ki,=,4.6,uM,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,NAG:A:1082,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1184,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1316,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1082,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1184,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1316,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1353,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
4.2.1.46,,,,,,,,,
,Family. Representative Entry is ,1OC2,,,,,,,
,,,NAD:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1348,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDX:A:1349,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,,TDX:B:1349,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,1KEP,,,,,,,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:6001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDX:A:3500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,,TDX:B:4500,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O,
,,1KER,,,,,,,
,,,DAU:A:2573,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:2574,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KET,,,,,,,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TYD:A:2573,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:2574,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6BWL,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:A:409,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6VLO,,,,,,,
,,,TYD:C:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,NI:C:403,Part of Protein,,,,,[Ni+2],
,,,NI:B:403,Part of Protein,,,,,[Ni+2],
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1BXK,,,,,,,
,,,NAD:A:380,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:780,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1KEW,,,,,,,
,,,GOL:A:1473,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1474,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1475,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TYD:A:2600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:2700,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1KEU,,,,,,,
,,,DAU:A:2573,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:2574,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,NAD:A:1400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1G1A,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:700,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5008,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1R6D,,,,,,,
,,,DAU:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1R66,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,NAD:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TYD:A:901,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
2.7.4.14,,,,,,,,,
,Family. Representative Entry is ,1KDO,,,,,,,
,,,C:A:5407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:B:6407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CMK,,,,,,,
,,,CDP:A:407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:A:228,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:229,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KDP,,,,,,,
,,,C:A:5407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:B:6407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KDT,,,,,,,
,,,DOC:A:5407,valid,,,,,C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N,
,,,DOC:B:6407,valid,,,,,C1C[C@@H](O[C@@H]1COP(=O)(O)O)N2C=CC(=NC2=O)N,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KDR,,,,,,,
,,,CAR:A:5407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CAR:B:6407,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2H92,,,,,,,
,,,C5P:A:1300,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:1302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,PG4:B:1001,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1QF9,,,,,,,
,,,ADP:A:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:A:499,valid,,,,,F[Al-](F)(F)F,
,,,C5P:A:196,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,1UKE,,,,,,,
,,,MG:A:196,invalid,,,,,[Mg+2],
,,,UP5:A:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)N,
,,3UKD,,,,,,,
,,,ADP:A:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:501,valid,,,,,F[Al](F)F,
,,,C5P:A:196,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,4UKD,,,,,,,
,,,UDP ADP BF2:A:196,valid,,,,,,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,5UKD,,,,,,,
,,,ADP:A:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:501,valid,,,,,F[Al](F)F,
,,,C5P:A:196,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
,,2UKD,,,,,,,
,,,ADP:A:195,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,C5P:A:196,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:500,invalid,,,,,[Mg+2],
2.4.1.151,,,,,,,,,
,Family. Representative Entry is ,1O7Q,,,,,,,
,,,GOL:A:1369,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1370,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1372,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1378,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1379,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1371,Part of Protein,,,,,[Mn+2],
,,,MN:B:1369,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1374,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:1375,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1376,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1377,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,2JCK,,,,,,,
,,,MN:A:3362,Part of Protein,,,,,[Mn+2],
,,,MN:A:3363,Part of Protein,,,,,[Mn+2],
,,,UDP:A:3361,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1GWV,,,,,,,
,,,MN:A:1370,Part of Protein,,,,,[Mn+2],
,,,MN:B:1370,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1369,valid,Kd,=,0.053,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1369,valid,Kd,=,0.053,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,BGC GAL:C:1,valid,Kd,=,2.68,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,Kd,=,2.68,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,2VS4,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NDG GAL:D:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,1GX4,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,UDP:A:401,valid,Kd,=,0.053,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:401,valid,Kd,=,0.053,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG GAL:D:1,valid,Kd,=,0.58,mM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,Kd,=,0.58,mM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,5NRE,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,5NRB,,,,,,,
,,,GDU:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,2VFZ,,,,,,,
,,,MN:A:1361,Part of Protein,,,,,[Mn+2],
,,,MN:B:2365,Part of Protein,,,,,[Mn+2],
,,,UPF:A:1360,valid,Ki,=,245,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O,
,,,UPF:B:2364,valid,Ki,=,245,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)F)O)O,
,,1GX0,,,,,,,
,,,GAL:B:1371,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:1371,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1372,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1370,Part of Protein,,,,,[Mn+2],
,,,MN:B:1370,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1369,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1369,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1O7O,,,,,,,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1371,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2371,valid,Kd,=,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,BGC GAL:C:1,valid,Kd,=,2.69,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,Kd,=,2.69,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,5NRD,,,,,,,
,,,GDU:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:A:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1VZU,,,,,,,
,,,GOL:A:1372,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2372,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1369,Part of Protein,,,,,[Mn+2],
,,,MN:B:2369,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1371,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2371,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,2VS5,,,,,,,
,,,GDU:A:1368,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:1361,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,MN:A:1366,Part of Protein,,,,,[Mn+2],
,,,MN:A:1367,Part of Protein,,,,,[Mn+2],
,,,MN:B:1360,Part of Protein,,,,,[Mn+2],
,,,MPD:B:1362,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2WGZ,,,,,,,
,,,147:A:1204,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,GAL NPO:B:1204,valid,,,,,,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1404,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1400,Part of Protein,,,,,[Mn+2],
,,,MN:B:1400,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2JCJ,,,,,,,
,,,GOL:A:1370,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1367,Part of Protein,,,,,[Mn+2],
,,,MPD:A:1368,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TRS:A:1369,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UDP:A:1366,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1VZT,,,,,,,
,,,MN:A:1369,Part of Protein,,,,,[Mn+2],
,,,MN:B:2369,Part of Protein,,,,,[Mn+2],
,,,TRS:A:1371,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:2371,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UDP:A:1370,valid,Kd,~,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2370,valid,Kd,~,0.032,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2VS3,,,,,,,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:D:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,1VZX,,,,,,,
,,,GOL:A:1373,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2373,invalid,,,,,C(C(CO)O)O,
,,,MN:A:1371,Part of Protein,,,,,[Mn+2],
,,,MN:B:2371,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1372,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:2372,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,1G93,,,,,,,
,,,GAL:A:502,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:1000,Part of Protein,,,,,[Mn+2],
,,,UPG:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1K4V,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1404,invalid,,,,,C(C(CO)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:1402,Part of Protein,,,,,[Mn+2],
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1G8O,,,,,,,
,,,MN:A:475,Part of Protein,,,,,[Mn+2],
,,,U5P:A:474,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1GWW,,,,,,,
,,,MN:A:1370,Part of Protein,,,,,[Mn+2],
,,,MN:B:1370,Part of Protein,,,,,[Mn+2],
,,,UDP GLC:A:1369,valid,Kd,=,0.258,mM,,
,,,UDP:B:1369,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
2.1.1.103,,,,,,,,,
,Family. Representative Entry is ,4R6W,,,,,,,
,,,PC:B:301,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:A:301,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,SAH:A:302,valid,Kd,=,5.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:302,valid,Kd,=,5.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4FGZ,,,,,,,
,,,CQA:A:301,valid,ic50,=,1350,uM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:A:302,valid,ic50,=,1350,uM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:B:301,valid,ic50,=,1350,uM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:B:302,valid,ic50,=,1350,uM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAH:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3UJ8,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SFG:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,3UJA,,,,,,,
,,,OPE:A:501,valid,,,,,C(COP(=O)(O)O)N,
,,3UJ6,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3UJ7,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3UJD,,,,,,,
,,,PC:A:301,valid,Kd,=,20.2,uM,C[N+](C)(C)CCOP(=O)(O)O,
,,3UJC,,,,,,,
,,,PC:A:301,valid,Kd,=,26,uM,C[N+](C)(C)CCOP(=O)(O)O,
,,3UJ9,,,,,,,
,,,PC:A:301,valid,Kd,=,23.4,uM,C[N+](C)(C)CCOP(=O)(O)O,
,,3UJB,,,,,,,
,,,OPE:A:501,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:B:501,valid,,,,,C(COP(=O)(O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5WP4,,,,,,,
,,,PC:A:702,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:A:704,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,SAH:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
2.8.4.1,,,,,,,,,
,Family. Representative Entry is ,3POT,,,,,,,
,,,06C:A:559,invalid,,,,,CI,
,,,06C:D:556,invalid,,,,,CI,
,,,COM:A:556,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:D:558,invalid,,,,,C(CO)O,
,,,F43:A:555,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,K:A:561,Part of Protein,,,,,[K+],
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:A:553,Part of Protein,,,,,[Mg+2],
,,,MG:A:554,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:C:251,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:E:445,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,TP7:A:558,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TXZ:A:557,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O,
,,,TXZ:D:554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O,
,,3M1V,,,,,,,
,,,ACT:A:555,invalid,,,,,CC(=O)[O-],
,,,ACT:A:556,invalid,,,,,CC(=O)[O-],
,,,ACT:B:446,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1,invalid,,,,,CC(=O)[O-],
,,,COM:A:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:D:555,invalid,,,,,C(CO)O,
,,,EDO:F:251,invalid,,,,,C(CO)O,
,,,EDO:F:252,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,PEG:A:557,invalid,,,,,C(COCCO)O,
,,,PEG:C:251,invalid,,,,,C(COCCO)O,
,,,TP7:A:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,ZN:A:558,Part of Protein,,,,,[Zn+2],
,,5G0R,,,,,,,
,,,MG:A:551,invalid,,,,,[Mg+2],
,,,MG:D:557,Part of Protein,,,,,[Mg+2],
,,,MG:E:445,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,invalid,,,,,[Mg+2],
,,,MG:C:251,invalid,,,,,[Mg+2],
,,,MG:A:563,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,invalid,,,,,[Mg+2],
,,,MG:A:562,invalid,,,,,[Mg+2],
,,,MG:D:1500,invalid,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,invalid,,,,,[Mg+2],
,,,MG:A:1500,invalid,,,,,[Mg+2],
,,,MG:E:446,invalid,,,,,[Mg+2],
,,,MG:E:1500,Part of Protein,,,,,[Mg+2],
,,,MG:A:1501,invalid,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,MG:A:553,invalid,,,,,[Mg+2],
,,,CL:E:1444,invalid,,,,,[Cl-],
,,,CL:A:1551,invalid,,,,,[Cl-],
,,,CL:B:1444,invalid,,,,,[Cl-],
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:A:554,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,TP7:A:557,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:556,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,NA:D:558,Part of Protein,,,,,[Na+],
,,,NA:A:1502,invalid,,,,,[Na+],
,,,NA:A:564,Part of Protein,,,,,[Na+],
,,,K:A:1550,Part of Protein,,,,,[K+],
,,3M32,,,,,,,
,,,ACT:A:556,invalid,,,,,CC(=O)[O-],
,,,COM:A:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:A:557,invalid,,,,,C(CO)O,
,,,EDO:B:445,invalid,,,,,C(CO)O,
,,,EDO:D:556,invalid,,,,,C(CO)O,
,,,EDO:F:1,invalid,,,,,C(CO)O,
,,,EDO:F:251,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,PEG:C:1,invalid,,,,,C(COCCO)O,
,,,SHT:A:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O,
,,,SHT:D:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)C=CCCCCSSCCS(=O)(=O)O)OP(=O)(O)O,
,,,TP7:A:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,ZN:A:558,Part of Protein,,,,,[Zn+2],
,,3M30,,,,,,,
,,,ACT:A:556,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1,invalid,,,,,CC(=O)[O-],
,,,COM:A:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:A:557,invalid,,,,,C(CO)O,
,,,EDO:B:446,invalid,,,,,C(CO)O,
,,,EDO:C:251,invalid,,,,,C(CO)O,
,,,EDO:D:556,invalid,,,,,C(CO)O,
,,,EDO:F:251,invalid,,,,,C(CO)O,
,,,EDO:F:252,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,PEG:C:252,invalid,,,,,C(COCCO)O,
,,,TP7:A:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,XP9:A:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O,
,,,XP9:D:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCCS)OP(=O)(O)O,
,,,ZN:A:558,Part of Protein,,,,,[Zn+2],
,,5A0Y,,,,,,,
,,,MG:A:551,invalid,,,,,[Mg+2],
,,,MG:D:560,Part of Protein,,,,,[Mg+2],
,,,MG:D:557,Part of Protein,,,,,[Mg+2],
,,,MG:E:445,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,invalid,,,,,[Mg+2],
,,,MG:C:251,invalid,,,,,[Mg+2],
,,,MG:A:563,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,invalid,,,,,[Mg+2],
,,,MG:A:562,invalid,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,invalid,,,,,[Mg+2],
,,,MG:E:446,invalid,,,,,[Mg+2],
,,,MG:F:251,invalid,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,MG:A:553,invalid,,,,,[Mg+2],
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:A:554,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,TP7:A:557,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:556,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,NA:D:558,Part of Protein,,,,,[Na+],
,,,NA:A:564,Part of Protein,,,,,[Na+],
,,,COM:D:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:A:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,CL:A:565,invalid,,,,,[Cl-],
,,,CL:D:559,invalid,,,,,[Cl-],
,,,K:A:561,Part of Protein,,,,,[K+],
,,3M2R,,,,,,,
,,,COM:A:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:A:557,invalid,,,,,C(CO)O,
,,,EDO:C:251,invalid,,,,,C(CO)O,
,,,EDO:D:556,invalid,,,,,C(CO)O,
,,,EDO:F:251,invalid,,,,,C(CO)O,
,,,EDO:F:252,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:552,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:A:553,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,PEG:C:1,invalid,,,,,C(COCCO)O,
,,,TP7:A:554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TPZ:A:556,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O,
,,,TPZ:D:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCS)OP(=O)(O)O,
,,,ZN:A:558,Part of Protein,,,,,[Zn+2],
,,5A8K,,,,,,,
,,,CA:D:556,Part of Protein,,,,,[Ca+2],
,,,CA:A:562,Part of Protein,,,,,[Ca+2],
,,,CA:D:559,Part of Protein,,,,,[Ca+2],
,,,CA:A:563,Part of Protein,,,,,[Ca+2],
,,,CA:D:560,Part of Protein,,,,,[Ca+2],
,,,CA:A:565,Part of Protein,,,,,[Ca+2],
,,,CA:B:444,invalid,,,,,[Ca+2],
,,,CA:D:557,Part of Protein,,,,,[Ca+2],
,,,CA:F:250,Part of Protein,,,,,[Ca+2],
,,,CA:A:564,Part of Protein,,,,,[Ca+2],
,,,CA:D:558,Part of Protein,,,,,[Ca+2],
,,,CA:E:444,Part of Protein,,,,,[Ca+2],
,,,ETX:E:1452,invalid,,,,,CCOCCO,
,,,ETX:A:1554,invalid,,,,,CCOCCO,
,,,ETX:B:1446,invalid,,,,,CCOCCO,
,,,ETX:C:1250,invalid,,,,,CCOCCO,
,,,ETX:B:1445,invalid,,,,,CCOCCO,
,,,ETX:F:1252,invalid,,,,,CCOCCO,
,,,ETX:D:1552,invalid,,,,,CCOCCO,
,,,ETX:F:1250,invalid,,,,,CCOCCO,
,,,ETX:A:1552,invalid,,,,,CCOCCO,
,,,ETX:E:1445,invalid,,,,,CCOCCO,
,,,ETX:E:1448,invalid,,,,,CCOCCO,
,,,ETX:A:1553,invalid,,,,,CCOCCO,
,,,ETX:E:1446,invalid,,,,,CCOCCO,
,,,ETX:A:1551,invalid,,,,,CCOCCO,
,,,ETX:D:1551,invalid,,,,,CCOCCO,
,,,ETX:E:1444,invalid,,,,,CCOCCO,
,,,ETX:E:1450,invalid,,,,,CCOCCO,
,,,ETX:E:1447,invalid,,,,,CCOCCO,
,,,ETX:E:1449,invalid,,,,,CCOCCO,
,,,ETX:F:1251,invalid,,,,,CCOCCO,
,,,ETX:D:1553,invalid,,,,,CCOCCO,
,,,ETX:B:1447,invalid,,,,,CCOCCO,
,,,ETX:E:1451,invalid,,,,,CCOCCO,
,,,ETX:B:1448,invalid,,,,,CCOCCO,
,,,ETX:A:1555,invalid,,,,,CCOCCO,
,,,ETX:B:1444,invalid,,,,,CCOCCO,
,,,COM:A:556,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,TP7:A:558,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,K:C:250,Part of Protein,,,,,[K+],
,,,K:A:566,Part of Protein,,,,,[K+],
,,,K:E:445,Part of Protein,,,,,[K+],
,,,K:D:561,Part of Protein,,,,,[K+],
,,,K:A:561,Part of Protein,,,,,[K+],
,,,MG:F:251,Part of Protein,,,,,[Mg+2],
,,,F43:D:1550,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:A:1550,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,3M2V,,,,,,,
,,,ACT:A:555,invalid,,,,,CC(=O)[O-],
,,,COM:A:553,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:552,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:A:556,invalid,,,,,C(CO)O,
,,,EDO:A:557,invalid,,,,,C(CO)O,
,,,EDO:D:554,invalid,,,,,C(CO)O,
,,,EDO:D:555,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:551,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,TP7:A:552,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:1,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,XP8:A:554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O,
,,,XP8:D:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCCS)OP(=O)(O)O,
,,,ZN:D:556,Part of Protein,,,,,[Zn+2],
,,3M2U,,,,,,,
,,,ACT:A:556,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1,invalid,,,,,CC(=O)[O-],
,,,COM:A:554,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:555,valid,,,,,C(CS(=O)(=O)O)S,
,,,EDO:A:557,invalid,,,,,C(CO)O,
,,,EDO:A:558,invalid,,,,,C(CO)O,
,,,EDO:C:251,invalid,,,,,C(CO)O,
,,,EDO:D:557,invalid,,,,,C(CO)O,
,,,EDO:D:558,invalid,,,,,C(CO)O,
,,,EDO:F:251,invalid,,,,,C(CO)O,
,,,EDO:F:252,invalid,,,,,C(CO)O,
,,,F43:A:1,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:553,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,MG:A:551,Part of Protein,,,,,[Mg+2],
,,,MG:A:552,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,,,MG:B:445,Part of Protein,,,,,[Mg+2],
,,,MG:C:250,Part of Protein,,,,,[Mg+2],
,,,MG:D:1,Part of Protein,,,,,[Mg+2],
,,,MG:D:551,Part of Protein,,,,,[Mg+2],
,,,MG:D:552,Part of Protein,,,,,[Mg+2],
,,,MG:E:444,Part of Protein,,,,,[Mg+2],
,,,MG:E:445,Part of Protein,,,,,[Mg+2],
,,,MG:F:250,Part of Protein,,,,,[Mg+2],
,,,PEG:A:559,invalid,,,,,C(COCCO)O,
,,,PEG:C:252,invalid,,,,,C(COCCO)O,
,,,TP7:A:553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TXZ:A:555,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O,
,,,TXZ:D:556,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCS)OP(=O)(O)O,
,,,ZN:A:560,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5A8R,,,,,,,
,,,K:G:604,Part of Protein,,,,,[K+],
,,,K:D:604,Part of Protein,,,,,[K+],
,,,K:D:605,Part of Protein,,,,,[K+],
,,,K:A:604,Part of Protein,,,,,[K+],
,,,K:J:604,Part of Protein,,,,,[K+],
,,,K:J:606,Part of Protein,,,,,[K+],
,,,K:J:605,Part of Protein,,,,,[K+],
,,,COM:D:601,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:A:601,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:G:601,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:J:601,valid,,,,,C(CS(=O)(=O)O)S,
,,,F43:D:603,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:A:603,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:G:603,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:J:603,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,TP7:G:602,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:602,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:J:602,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:A:602,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,5A8W,,,,,,,
,,,TP7:J:1553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:J:1556,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:A:1554,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:1553,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,COM:D:1555,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:A:1553,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:J:1555,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:G:1553,valid,,,,,C(CS(=O)(=O)O)S,
,,,ACT:A:1555,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1265,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1557,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1444,invalid,,,,,CC(=O)[O-],
,,,ACT:G:1555,invalid,,,,,CC(=O)[O-],
,,,ACT:J:1557,invalid,,,,,CC(=O)[O-],
,,,ACT:H:1444,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1445,invalid,,,,,CC(=O)[O-],
,,,ACT:I:1265,invalid,,,,,CC(=O)[O-],
,,,ACT:L:1265,invalid,,,,,CC(=O)[O-],
,,,ACT:K:1444,invalid,,,,,CC(=O)[O-],
,,,NA:F:1270,Part of Protein,,,,,[Na+],
,,,F43:D:1554,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:G:1554,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:J:1554,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:D:1556,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,Family. Representative Entry is ,3SQG,,,,,,,
,,,1PE:A:581,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:580,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:434,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:281,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:580,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:434,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CA:A:587,Part of Protein,,,,,[Ca+2],
,,,CA:G:583,Part of Protein,,,,,[Ca+2],
,,,CL:A:586,invalid,,,,,[Cl-],
,,,COM:A:1003,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:1003,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:G:1003,valid,,,,,C(CS(=O)(=O)O)S,
,,,GOL:C:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:435,invalid,,,,,C(C(CO)O)O,
,,,M43:A:1001,invalid,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,M43:D:1001,invalid,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,M43:G:1001,invalid,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C1=[N]7[C@H](C5)[C@H]([C@@H]1C[C@@H](C9=O)SC)CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,P6G:B:434,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PGE:A:582,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:583,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:581,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:582,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:581,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:582,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:436,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:282,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:281,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TP7:A:1002,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:A:580,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:G:1002,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,Family. Representative Entry is ,5N1Q,,,,,,,
,,,COM:A:604,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:D:601,valid,,,,,C(CS(=O)(=O)O)S,
,,,F43:D:602,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,F43:A:602,Part of Protein,,,,,C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni+]67[N]3=C([C@H]2CCC(=O)O)C=C8N6C(=C9C(=O)CC[C@@H]1C9=[N]7[C@H](C5)[C@H]1CC(=O)O)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O,
,,,GOL:F:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,TP7:A:601,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,TP7:D:603,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O,
,,,MG:E:501,invalid,,,,,[Mg+2],
2.6.1.18,,,,,,,,,
,Family. Representative Entry is ,4UHO,,,,,,,
,,,GOL:A:1451,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1454,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1452,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1453,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1455,invalid,,,,,C(C(CO)O)O,
,,,EOH:A:1462,invalid,,,,,CCO,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,UNL:A:1463,invalid,,,,,NULL,
,,,PEG:A:1461,invalid,,,,,C(COCCO)O,
,,,MG:A:1449,Part of Protein,,,,,[Mg+2],
,,,MG:A:1450,Part of Protein,,,,,[Mg+2],
,,,PLP:A:1460,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4UHM,,,,,,,
,,,PLP:A:1458,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:1459,invalid,,,,,[Cl-],
,,,CL:A:1460,invalid,,,,,[Cl-],
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,EDO:A:1456,invalid,,,,,C(CO)O,
,,,GOL:A:1454,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1453,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1455,invalid,,,,,C(C(CO)O)O,
,,,EOH:A:1451,invalid,,,,,CCO,
,,,EOH:A:1452,invalid,,,,,CCO,
,,,MG:A:1449,Part of Protein,,,,,[Mg+2],
,,,MG:A:1450,Part of Protein,,,,,[Mg+2],
,,4UHN,,,,,,,
,,,GOL:A:1452,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1451,Part of Protein,,,,,[Mg+2],
,,,NA:A:1455,Part of Protein,,,,,[Na+],
,,,PLP:A:1454,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,ACY:A:1453,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,6FYQ,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4B98,,,,,,,
,,,CL:D:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PXG:B:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:D:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:C:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:A:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,4BQ0,,,,,,,
,,,PLP:C:1449,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1449,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:1450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1449,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:C:1450,invalid,,,,,[Cl-],
,,,CL:A:1449,invalid,,,,,[Cl-],
,,,CL:D:1450,invalid,,,,,[Cl-],
,,,CL:B:1450,invalid,,,,,[Cl-],
,,4B9B,,,,,,,
,,,PLP:F:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:G:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:H:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CL:E:502,invalid,,,,,[Cl-],
,,,CL:D:502,invalid,,,,,[Cl-],
,,,CL:F:502,invalid,,,,,[Cl-],
,,,CL:G:502,invalid,,,,,[Cl-],
,,,CL:C:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:H:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CA:F:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:503,Part of Protein,,,,,[Ca+2],
,,,CA:G:503,Part of Protein,,,,,[Ca+2],
,,,CA:H:503,Part of Protein,,,,,[Ca+2],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6S4G,,,,,,,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:D:502,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:D:503,invalid,,,,,C(CO)O,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PEG:C:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,4BA5,,,,,,,
,,,SO4:B:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PXG:B:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:A:470,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,Family. Representative Entry is ,3A8U,,,,,,,
,,,PLP:X:450,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
5.4.3.8,,,,,,,,,
,Family. Representative Entry is ,3FQ8,,,,,,,
,,,PMP:A:5000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:6000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,2HOZ,,,,,,,
,,,HOZ:A:1,invalid,,,,,C(CC(=O)O)[C@@H](CN)N,
,,,PMP:A:5000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:6000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,2GSA,,,,,,,
,,,PLP:B:434,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PMP:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,3FQ7,,,,,,,
,,,PXG:A:1434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,,PXG:B:2434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,,2HP1,,,,,,,
,,,EA5:A:5000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@H](CCC(=O)O)N)O,
,,,HOZ:B:2,invalid,,,,,C(CC(=O)O)[C@@H](CN)N,
,,,PLP:B:6000,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3FQA,,,,,,,
,,,GAB:A:2000,valid,,,,,c1cc(cc(c1)N)C(=O)O,
,,,PMP:A:1434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:2434,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,5YKT,,,,,,,
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3BS8,,,,,,,
,,,PMP:A:431,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
3.6.1.55,,,,,,,,,
,Family. Representative Entry is ,6EHH,,,,,,,
,,,NO3:D:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,CU:B:202,Part of Protein,,,,,[Cu+2],
,,,CU:C:203,Part of Protein,,,,,[Cu+2],
,,,CU:C:202,Part of Protein,,,,,[Cu+2],
,,,CU:D:202,Part of Protein,,,,,[Cu+2],
,,,2GE:D:201,valid,ic50,=,32,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:A:201,valid,ic50,=,32,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:C:201,valid,ic50,=,32,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:B:201,valid,ic50,=,32,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,PEG:C:209,invalid,,,,,C(COCCO)O,
,,,PEG:C:208,invalid,,,,,C(COCCO)O,
,,,PEG:C:207,invalid,,,,,C(COCCO)O,
,,,PEG:A:208,invalid,,,,,C(COCCO)O,
,,,PEG:B:208,invalid,,,,,C(COCCO)O,
,,,GOL:C:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,MG:C:212,Part of Protein,,,,,[Mg+2],
,,5MZG,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SCN:A:203,invalid,,,,,C(#N)[S-],
,,,SCN:A:204,invalid,,,,,C(#N)[S-],
,,,SCN:B:204,invalid,,,,,C(#N)[S-],
,,,SCN:B:205,invalid,,,,,C(#N)[S-],
,,,2GE:B:201,valid,ic50,=,138,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:A:201,valid,ic50,=,138,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,5MZE,,,,,,,
,,,CU:C:201,Part of Protein,,,,,[Cu+2],
,,,CU:A:202,Part of Protein,,,,,[Cu+2],
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,CU:A:201,Part of Protein,,,,,[Cu+2],
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,8DG:A:204,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:D:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:C:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,PEG:D:201,invalid,,,,,C(COCCO)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6FL4,,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,8DG:A:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:203,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5GP0,,,,,,,
,,,GOL:E:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:201,invalid,,,,,C(C(CO)O)O,
,,,GPP:F:201,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:A:201,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:E:202,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:I:202,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,6DBZ,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,invalid,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,IPR:B:201,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPR:A:201,valid,,,,,CC(C)CCO[P@@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,6US2,,,,,,,
,,,S3O:A:201,valid,Ki,=,5.2,pM,Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3,
,,6US4,,,,,,,
,,,GN6:A:201,valid,ic50,=,13,nM,c1cc(c(c(c1)Cl)Cl)c2cccc3n2nc(n3)N,
,,4C9X,,,,,,,
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1158,invalid,,,,,[Cl-],
,,,VHS:A:1157,valid,Kd,=,48,nM,C[C@@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,5ANW,,,,,,,
,,,9CQ:A:1157,valid,Kd,=,0.003,uM,CN(C)C(=O)Cc1ccc(cc1)c2c3ccccc3nc(n2)N,
,,6F23,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C8Z:B:200,valid,ic50,=,0.005,uM,c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4,
,,,C8Z:A:201,valid,ic50,=,0.005,uM,c1ccc(cc1)[C@H]2CCCN2c3ccnc4c3cc[nH]4,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,5ANV,,,,,,,
,,,RGJ:A:1157,valid,Kd,=,0.0005,uM,CNC(=O)c1cnc2cc(c(cc2c1Nc3ccc(cc3F)Cl)OC)OC,
,,4N1T,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2GD:A:201,valid,ic50,=,0.8,nM,CNc1cc(nc(n1)N)c2cccc(c2Cl)Cl,
,,6AA4,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,MKS:A:203,valid,ic50,=,0.47,uM,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5WS7,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:1002,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,6U4:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,6U4:B:1001,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,3ZR0,,,,,,,
,,,8OG:A:1157,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,8OG:B:1157,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,SO4:A:1158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6ILI,,,,,,,
,,,8DG:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5NGS,,,,,,,
,,,8WW:B:201,valid,ic50,=,170,nM,c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N,
,,,8WW:A:201,valid,ic50,=,170,nM,c1ccc(cc1)CCSc2c3c(nc[nH]3)nc(n2)N,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,6US3,,,,,,,
,,,8JF:A:201,valid,ic50,=,81,nM,Cc1cccc(c1C)c2c3cccnc3cc(n2)NC(=O)C,
,,4C9W,,,,,,,
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1157,invalid,,,,,[Cl-],
,,,VGH:A:1158,valid,Kd,=,781,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,5GHJ,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,6U4:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,6U4:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,5GHI,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,8DG:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5NHY,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,8XT:B:201,valid,ic50,=,2.3,nM,CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C,
,,,8XT:A:201,valid,ic50,=,2.3,nM,CCNC(=O)c1cc2c(ccnc2[nH]1)N3CCOC[C@@H]3C,
,,6F20,,,,,,,
,,,C9E:B:201,valid,Kd,=,49.5,uM,CCOC(=O)c1ccnc2c1cc[nH]2,
,,,C9E:A:201,valid,Kd,=,49.5,uM,CCOC(=O)c1ccnc2c1cc[nH]2,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:208,invalid,,,,,CC(=O)[O-],
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,5GHQ,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,6U4:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,6U4:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,5ANU,,,,,,,
,,,DMS:A:1157,invalid,,,,,CS(=O)C,
,,,58T:A:1158,valid,Kd,=,0.0004,uM,CNc1c2c3nc(n1)OCCOCCOc4cccc(c4)CN3C(=O)N2,
,,4N1U,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2GE:B:201,valid,ic50,=,5,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:A:201,valid,ic50,=,5,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,6F22,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9B:A:200,valid,ic50,=,0.002,uM,c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4,
,,,C9B:B:200,valid,ic50,=,0.002,uM,c1ccc(cc1)[C@H]2COCCN2c3ccnc4c3c[nH]n4,
,,5FSM,,,,,,,
,,,DMS:A:205,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,N91:A:202,valid,Kd,>,40,uM,CC(=O)Nc1ccc2c(c1)ncn2C,
,,,ACT:A:201,invalid,,,,,CC(=O)[O-],
,,5NGR,,,,,,,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8WT:B:201,valid,ic50,=,24,uM,CSc1[nH]c2c(ncnc2n1)N,
,,,8WT:A:201,valid,ic50,=,24,uM,CSc1[nH]c2c(ncnc2n1)N,
,,5OTM,,,,,,,
,,,6OG:A:206,valid,,,,,COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,6OG:B:205,valid,,,,,COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,6F1X,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C9Q:A:200,valid,ic50,=,0.02,uM,CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl,
,,,C9Q:B:200,valid,ic50,=,0.02,uM,CCNC(=O)c1cc2c(ccnc2[nH]1)c3cccc(c3)Cl,
,,5ANS,,,,,,,
,,,RX8:A:1157,valid,ic50,=,2.056,uM,CCOCc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N,
,,5FSN,,,,,,,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,6Q3:A:201,valid,Kd,=,1.7,uM,Cc1cc(nc(n1)N)OCCCO,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,5GHO,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,8DG:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,5FSO,,,,,,,
,,,ACT:A:1157,invalid,,,,,CC(=O)[O-],
,,,DMS:A:1160,invalid,,,,,CS(=O)C,
,,,DMS:A:1159,invalid,,,,,CS(=O)C,
,,,S76:A:1158,valid,Kd,=,0.81,uM,CNC1=CC(=O)NC(=O)N1,
,,5FSK,,,,,,,
,,,H6Y:A:1157,valid,,,,,c1nc(c2c(n1)N(C(=O)N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:A:1158,invalid,,,,,CC(=O)[O-],
,,6AA5,,,,,,,
,,,ZN:A:204,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MKU:A:201,valid,ic50,=,0.052,uM,CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C,
,,5GHN,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,6U4:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,,6U4:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O,
,,5ANT,,,,,,,
,,,RJE:B:1157,valid,Kd,=,0.44,uM,CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3,
,,,RJE:A:1157,valid,Kd,=,0.44,uM,CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3,
,,,RJE:C:1157,valid,Kd,=,0.44,uM,CNc1c2c(nc(n1)OCCOC)N(C(=O)N2)Cc3ccccc3,
,,5FSI,,,,,,,
,,,8DG:A:1157,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,5GHM,,,,,,,
,,,8DG:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,8DG:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,5NGT,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8WZ:A:201,valid,,,,,Cc1cc(c2c(c1)nc(o2)N)c3ccco3,
,,5FSL,,,,,,,
,,,SO4:A:1158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UAN:A:1157,valid,Kd,=,24,uM,CNC1=Nc2c(ncn2C)C(=O)N1,
,Family. Representative Entry is ,6QVO,,,,,,,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6MA:D:201,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,6MA:B:202,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,6MA:C:203,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,6MA:A:204,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4JZU,,,,,,,
,,,EPE:B:201,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GCP G  :C:1,valid,,,,,,
,,4JZV,,,,,,,
,,,GCP G  :C:1,valid,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,EPE:A:203,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
1.5.1.10,,,,,,,,,
,Family. Representative Entry is ,1E5Q,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SHR:A:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:B:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:C:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:D:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:E:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:F:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:G:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
,,,SHR:H:501,valid,,,,,C(CCN[C@@H](CCC(=O)O)C(=O)O)C[C@@H](C(=O)O)N,
3.1.1.7,,,,,,,,,
,Family. Representative Entry is ,5EHZ,,,,,,,
,,,P6G:B:602,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5NZ:A:603,valid,Ki,=,2.3,pM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,,5NZ:B:603,valid,Ki,=,2.3,pM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cnnn5CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,5EHQ,,,,,,,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,5O2:A:1504,valid,Ki,=,33,pM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,,5O2:B:605,valid,Ki,=,33,pM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:B:606,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,1Q84,,,,,,,
,,,NAG:A:1501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,TZ4:A:951,valid,Ki,=,8900,fM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,,TZ4:B:952,valid,Ki,=,8900,fM,c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4[n+]2CCCCCCc5cn(nn5)CCNc6c7ccccc7nc8c6CCCC8)N)N,
,,4ARB,,,,,,,
,,,C57:A:1543,valid,Kd,=,1.3,uM,CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,C57:B:1544,valid,Kd,=,1.3,uM,CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,NAG:A:1545,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1547,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1547,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:B:1545,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:A:1544,invalid,,,,,C(COCCO)O,
,,,PEG:A:1546,invalid,,,,,C(COCCO)O,
,,,PEG:A:1548,invalid,,,,,C(COCCO)O,
,,,PEG:A:1549,invalid,,,,,C(COCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,4ARA,,,,,,,
,,,1PE:B:1546,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,C56:A:600,valid,Kd,=,0.9,uM,CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,C56:B:600,valid,Kd,=,0.9,uM,CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,CL:B:1555,invalid,,,,,[Cl-],
,,,EDO:A:1545,invalid,,,,,C(CO)O,
,,,EDO:A:1548,invalid,,,,,C(CO)O,
,,,EDO:A:1550,invalid,,,,,C(CO)O,
,,,EDO:A:1551,invalid,,,,,C(CO)O,
,,,EDO:A:1552,invalid,,,,,C(CO)O,
,,,EDO:B:1549,invalid,,,,,C(CO)O,
,,,EDO:B:1553,invalid,,,,,C(CO)O,
,,,EDO:B:1556,invalid,,,,,C(CO)O,
,,,NAG:A:1549,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1553,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1552,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:1544,invalid,,,,,C(COCCO)O,
,,,PEG:A:1546,invalid,,,,,C(COCCO)O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1545,invalid,,,,,C(COCCO)O,
,,,PEG:B:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1550,invalid,,,,,C(COCCO)O,
,,,PEG:B:1551,invalid,,,,,C(COCCO)O,
,,,PEG:B:1554,invalid,,,,,C(COCCO)O,
,,4B80,,,,,,,
,,,EDO:B:1544,invalid,,,,,C(CO)O,
,,,EDO:A:1552,invalid,,,,,C(CO)O,
,,,EDO:B:1552,invalid,,,,,C(CO)O,
,,,EDO:A:1544,invalid,,,,,C(CO)O,
,,,EDO:B:1549,invalid,,,,,C(CO)O,
,,,EDO:B:1550,invalid,,,,,C(CO)O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1551,invalid,,,,,C(COCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PEG:A:1550,invalid,,,,,C(COCCO)O,
,,,PEG:A:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1553,invalid,,,,,C(COCCO)O,
,,,A36:A:1543,valid,ic50,=,40,uM,CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F,
,,,A36:B:1543,valid,ic50,=,40,uM,CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)F,
,,,NAG:B:1548,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1549,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:1551,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1547,invalid,,,,,C(COCCOCCO)O,
,,,P4C:B:1554,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,1N5R,,,,,,,
,,,ACY:A:904,invalid,,,,,CC(=O)O,
,,,ACY:B:905,invalid,,,,,CC(=O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P6G:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:902,invalid,,,,,C(COCCOCCOCCO)O,
,,,PRM:A:951,valid,Ki,=,2.2,uM,CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,2HA6,,,,,,,
,,,ACY:A:903,invalid,,,,,CC(=O)O,
,,,P6G:A:961,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,SCK:A:901,valid,,,,,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,,SCK:A:902,valid,,,,,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,,SCK:B:951,valid,,,,,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,,SCK:B:952,valid,,,,,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,2JF0,,,,,,,
,,,HBP:A:1544,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,HBP:B:1545,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,P6G:A:1543,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4B82,,,,,,,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1551,invalid,,,,,C(COCCO)O,
,,,PEG:A:1551,invalid,,,,,C(COCCO)O,
,,,PEG:A:1550,invalid,,,,,C(COCCO)O,
,,,PEG:B:1545,invalid,,,,,C(COCCO)O,
,,,PEG:A:1544,invalid,,,,,C(COCCO)O,
,,,PEG:A:1549,invalid,,,,,C(COCCO)O,
,,,PEG:B:1550,invalid,,,,,C(COCCO)O,
,,,NAG:B:1549,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1548,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B3Z:A:1543,valid,ic50,=,41,uM,CCN(CC)CCNS(=O)(=O)c1ccccc1F,
,,,B3Z:B:1544,valid,ic50,=,41,uM,CCN(CC)CCNS(=O)(=O)c1ccccc1F,
,,2GYU,,,,,,,
,,,HI6:A:702,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:B:602,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P4G:A:603,invalid,,,,,CCOCCOCCOCC,
,,,P6G:A:604,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4B7Z,,,,,,,
,,,PEG:A:1545,invalid,,,,,C(COCCO)O,
,,,PEG:A:1552,invalid,,,,,C(COCCO)O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1551,invalid,,,,,C(COCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PEG:A:1551,invalid,,,,,C(COCCO)O,
,,,PEG:A:1550,invalid,,,,,C(COCCO)O,
,,,PEG:A:1543,invalid,,,,,C(COCCO)O,
,,,PEG:B:1545,invalid,,,,,C(COCCO)O,
,,,PEG:B:1544,invalid,,,,,C(COCCO)O,
,,,PEG:A:1549,invalid,,,,,C(COCCO)O,
,,,PEG:B:1550,invalid,,,,,C(COCCO)O,
,,,SO4:B:1549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Q4Q:A:600,valid,ic50,=,49,uM,CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C,
,,,Q4Q:B:600,valid,ic50,=,49,uM,CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C,
,,,NAG:A:1548,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1547,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:1544,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2WHQ,,,,,,,
,,,HI6:A:1543,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:B:1545,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:1544,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PGE:A:1545,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1547,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1548,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1549,invalid,,,,,C(COCCOCCO)O,
,,1J07,,,,,,,
,,,CL:A:1867,invalid,,,,,[Cl-],
,,,CL:A:999,invalid,,,,,[Cl-],
,,,CO3:A:903,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:904,invalid,,,,,C(=O)([O-])[O-],
,,,DCU:A:951,valid,Ki,=,0.021,uM,C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,DCU:B:952,valid,Ki,=,0.021,uM,C[N+](C)(C)CCCCCCCCCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P6G:B:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:902,invalid,,,,,C(COCCOCCOCCO)O,
,,1N5M,,,,,,,
,,,CO3:B:904,invalid,,,,,C(=O)([O-])[O-],
,,,GMN:A:951,valid,,,,,CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC,
,,,IOD:A:1243,invalid,,,,,[I-],
,,,IOD:A:1367,invalid,,,,,[I-],
,,,IOD:A:1463,invalid,,,,,[I-],
,,,IOD:A:802,invalid,,,,,[I-],
,,,IOD:A:990,invalid,,,,,[I-],
,,,IOD:A:991,invalid,,,,,[I-],
,,,IOD:B:1335,invalid,,,,,[I-],
,,,IOD:B:1448,invalid,,,,,[I-],
,,,IOD:B:1485,invalid,,,,,[I-],
,,,IOD:B:1590,invalid,,,,,[I-],
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P6G:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:902,invalid,,,,,C(COCCOCCOCCO)O,
,,3ZLV,,,,,,,
,,,PE4:B:1545,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,HI6:B:1543,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:A:1543,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,1KA:B:1544,invalid,,,,,C(COCC=O)O,
,,,1KA:A:1546,invalid,,,,,C(COCC=O)O,
,,,1KA:A:1545,invalid,,,,,C(COCC=O)O,
,,,1KA:A:1547,invalid,,,,,C(COCC=O)O,
,,,1KA:B:1546,invalid,,,,,C(COCC=O)O,
,,,CO3:A:1544,invalid,,,,,C(=O)([O-])[O-],
,,5FOQ,,,,,,,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PG0:B:1546,invalid,,,,,COCCOCCO,
,,,PG0:A:1545,invalid,,,,,COCCOCCO,
,,,PG0:A:1544,invalid,,,,,COCCOCCO,
,,,PG0:B:1545,invalid,,,,,COCCOCCO,
,,,GC8:A:1543,valid,,,,,c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl,
,,,GC8:B:1544,valid,,,,,c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)Cl,
,,,P15:B:1547,invalid,,,,,COCCOCCOCCOCCOCCOCCO,
,,2GYW,,,,,,,
,,,CO3:A:951,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:952,invalid,,,,,C(=O)([O-])[O-],
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,OBI:A:952,valid,,,,,c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO,
,,,OBI:B:953,valid,,,,,c1c[n+](ccc1C=NO)COC[n+]2ccc(cc2)C=NO,
,,,P6G:B:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,5FUM,,,,,,,
,,,PG0:B:1546,invalid,,,,,COCCOCCO,
,,,PG0:B:1547,invalid,,,,,COCCOCCO,
,,,PG0:A:1545,invalid,,,,,COCCOCCO,
,,,PG0:A:1544,invalid,,,,,COCCOCCO,
,,,PG0:B:1545,invalid,,,,,COCCOCCO,
,,,SOF:A:1543,valid,,,,,CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4,
,,,SOF:B:1544,valid,,,,,CCN1CCN(CC1)C2CCN(CC2)C(=O)COc3ccc(cc3)c4ccccc4,
,,,PE4:B:1548,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,2HA0,,,,,,,
,,,CHH:A:1602,valid,Kd,=,0.037,mM,CC(=O)CCC[N+](C)(C)C,
,,,CHH:B:2602,valid,Kd,=,0.037,mM,CC(=O)CCC[N+](C)(C)C,
,,,IOD:A:1101,invalid,,,,,[I-],
,,,IOD:A:1103,invalid,,,,,[I-],
,,,IOD:A:1104,invalid,,,,,[I-],
,,,IOD:A:1106,invalid,,,,,[I-],
,,,IOD:A:1108,invalid,,,,,[I-],
,,,IOD:A:1110,invalid,,,,,[I-],
,,,IOD:A:1111,invalid,,,,,[I-],
,,,IOD:B:1102,invalid,,,,,[I-],
,,,IOD:B:1105,invalid,,,,,[I-],
,,,IOD:B:1107,invalid,,,,,[I-],
,,,IOD:B:1109,invalid,,,,,[I-],
,,,IOD:B:1112,invalid,,,,,[I-],
,,,IOD:B:1113,invalid,,,,,[I-],
,,,IOD:B:1114,invalid,,,,,[I-],
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NWA:A:601,invalid,,,,,CC(CCC[N+](C)(C)C)(O)O,
,,,NWA:B:601,invalid,,,,,CC(CCC[N+](C)(C)C)(O)O,
,,,P6G:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,5EIE,,,,,,,
,,,PG4:A:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:B:605,invalid,,,,,CC(=O)[O-],
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,TZ2:B:604,valid,Ki,=,23000,pM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-],
,,,TZ2:A:605,valid,Ki,=,23000,pM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCN=[N+]=[N-],
,,,7PG:B:606,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCO,
,,4BTL,,,,,,,
,,,5GZ:A:1543,valid,ic50,=,2.5,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-],
,,,5GZ:B:1544,valid,ic50,=,2.5,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-],
,,,5GZ:A:1549,valid,ic50,=,2.5,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-],
,,,5GZ:B:1552,valid,ic50,=,2.5,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Oc2c(cccc2Cl)[N+](=O)[O-],
,,,NAG:B:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1548,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1547,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1544,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:1551,invalid,,,,,C(CO)O,
,,,EDO:B:1554,invalid,,,,,C(CO)O,
,,,EDO:A:1548,invalid,,,,,C(CO)O,
,,,EDO:B:1549,invalid,,,,,C(CO)O,
,,,PE3:B:1551,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:1553,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:1545,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:1545,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:1553,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:1555,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:1550,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:B:1547,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:1552,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:1546,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:1550,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,4B85,,,,,,,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1547,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,B3W:B:600,valid,ic50,=,88,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl,
,,,B3W:A:600,valid,ic50,=,88,uM,CCN(CC)CCNS(=O)(=O)c1ccc(cc1)Cl,
,,,PEG:A:1545,invalid,,,,,C(COCCO)O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1545,invalid,,,,,C(COCCO)O,
,,,PEG:A:1548,invalid,,,,,C(COCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PEG:A:1544,invalid,,,,,C(COCCO)O,
,,,PEG:B:1549,invalid,,,,,C(COCCO)O,
,,,P6G:B:1550,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,SO4:A:1543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1544,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FPP,,,,,,,
,,,AE3:B:1546,invalid,,,,,CCOCCOCCO,
,,,AE3:A:1551,invalid,,,,,CCOCCOCCO,
,,,HI6:A:1552,valid,Kd,=,100,uM,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:B:1545,valid,Kd,=,100,uM,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,CO3:B:1547,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1549,invalid,,,,,C(=O)([O-])[O-],
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:1550,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2HA5,,,,,,,
,,,ACT:A:1903,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1953,invalid,,,,,CC(=O)[O-],
,,,AT3:A:1901,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:A:1902,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:B:1951,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:B:1952,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:B:1961,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,ETM:A:1905,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:A:1909,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:B:1955,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:B:1959,valid,,,,,C[N+](C)(C)CCS,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P6G:B:2901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2GYV,,,,,,,
,,,CO3:A:1408,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:544,invalid,,,,,C(=O)([O-])[O-],
,,,HBP:A:1409,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,HBP:B:545,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,NAG:A:1402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P3G:B:546,invalid,,,,,CCOCCOCCOCCOCCOCC,
,,5OV9,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,PGE:B:605,invalid,,,,,C(COCCOCCO)O,
,,,ETX:B:608,invalid,,,,,CCOCCO,
,,,ETX:A:604,invalid,,,,,CCOCCO,
,,,ETX:A:605,invalid,,,,,CCOCCO,
,,,PG0:A:602,invalid,,,,,COCCOCCO,
,,,PG0:A:603,invalid,,,,,COCCOCCO,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CVI:B:602,valid,ic50,=,2.2,uM,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,CVI:A:609,valid,ic50,=,2.2,uM,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,CVI:B:603,valid,ic50,=,2.2,uM,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,CVI:A:608,valid,ic50,=,2.2,uM,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,PE4:B:607,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,AE3:B:606,invalid,,,,,CCOCCOCCO,
,,2HA2,,,,,,,
,,,FUC:A:2502,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,P6G:A:1901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,SCK:A:901,valid,Kd,=,0.022,mM,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,,SCK:B:951,valid,Kd,=,0.022,mM,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,
,,,SCU:A:902,invalid,,,,,C[N+](C)(C)CCOC(=O)CCC=O,
,,,SCU:B:952,invalid,,,,,C[N+](C)(C)CCOC(=O)CCC=O,
,,4B83,,,,,,,
,,,SO4:B:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,B3V:A:1553,invalid,,,,,CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC,
,,,B3V:B:1544,valid,,,,,CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC,
,,,B3V:B:1549,invalid,,,,,CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC,
,,,B3V:A:1543,valid,,,,,CCN(CC)CCNS(=O)(=O)c1cccc(c1)OC,
,,,EDO:B:1548,invalid,,,,,C(CO)O,
,,,EDO:A:1552,invalid,,,,,C(CO)O,
,,,EDO:A:1551,invalid,,,,,C(CO)O,
,,,EDO:A:1545,invalid,,,,,C(CO)O,
,,,EDO:B:1553,invalid,,,,,C(CO)O,
,,,EDO:B:1543,invalid,,,,,C(CO)O,
,,,EDO:A:1544,invalid,,,,,C(CO)O,
,,,EDO:B:2000,invalid,,,,,C(CO)O,
,,,EDO:B:1545,invalid,,,,,C(CO)O,
,,,EDO:A:1550,invalid,,,,,C(CO)O,
,,,EDO:A:1555,invalid,,,,,C(CO)O,
,,,EDO:B:1551,invalid,,,,,C(CO)O,
,,,NAG:B:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1549,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:1547,invalid,,,,,C(COCCO)O,
,,,PEG:B:1547,invalid,,,,,C(COCCO)O,
,,,PEG:A:1548,invalid,,,,,C(COCCO)O,
,,,PG4:B:1552,invalid,,,,,C(COCCOCCOCCO)O,
,,,PE8:A:1556,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,4A23,,,,,,,
,,,C56:A:1542,valid,ic50,=,1.3,uM,CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,C56:B:1544,valid,ic50,=,1.3,uM,CCN1CCC[C@@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,C57:A:1543,valid,ic50,=,1.3,uM,CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,C57:B:1545,valid,ic50,=,1.3,uM,CCN1CCC[C@H]1CNC(=O)c2cc(c(cc2OC)N(C)C)[N+](=O)[O-],
,,,PE4:B:1547,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PEG:A:1544,invalid,,,,,C(COCCO)O,
,,,PEG:A:1545,invalid,,,,,C(COCCO)O,
,,,PEG:A:1546,invalid,,,,,C(COCCO)O,
,,,PEG:B:1546,invalid,,,,,C(COCCO)O,
,,,PEG:B:1548,invalid,,,,,C(COCCO)O,
,,2HA3,,,,,,,
,,,CHT:A:951,valid,Kd,=,0.93,mM,C[N+](C)(C)CCO,
,,,CHT:A:952,valid,Kd,=,0.93,mM,C[N+](C)(C)CCO,
,,,CHT:B:961,valid,Kd,=,0.93,mM,C[N+](C)(C)CCO,
,,,CHT:B:962,valid,Kd,=,0.93,mM,C[N+](C)(C)CCO,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,P6G:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,2WU4,,,,,,,
,,,HBP:A:1544,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,HBP:B:1545,valid,,,,,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,,NAG:A:1543,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:A:1545,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,2CKM,,,,,,,
,,,AA7:A:1536,valid,Kd,=,77,fM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1ODC,,,,,,,
,,,A8B:A:1538,valid,,,,,c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5,
,,,NAG:A:1536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1UT6,,,,,,,
,,,A8N:A:1538,valid,,,,,c1ccc2c(c1)c(c3c([nH+]2)CCCC3)NCCCCCCCC[NH3+],
,,,NAG:A:1536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6H14,,,,,,,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,PGE:A:611,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:611,invalid,,,,,C(COCCOCCO)O,
,,,MES:B:612,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FW8:B:609,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O,
,,,FW8:A:610,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5)NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:B:610,invalid,,,,,[Cl-],
,,1EVE,,,,,,,
,,,E20:A:2001,valid,ic50,=,5.7,nM,COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4,
,,,NAG:A:3001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1H23,,,,,,,
,,,E12:A:1536,valid,Ki,=,4.5,nM,C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1QTI,,,,,,,
,,,GNT:A:600,valid,,,,,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,2C4H,,,,,,,
,,,ACE:A:1543,invalid,,,,,CC=O,
,,,ACT:A:1555,invalid,,,,,CC(=O)[O-],
,,,AT3:A:1540,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,AT3:A:1541,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,CL:A:1544,invalid,,,,,[Cl-],
,,,CL:A:1545,invalid,,,,,[Cl-],
,,,CL:A:1546,invalid,,,,,[Cl-],
,,,CL:A:1547,invalid,,,,,[Cl-],
,,,CL:A:1548,invalid,,,,,[Cl-],
,,,CL:A:1549,invalid,,,,,[Cl-],
,,,CL:A:1550,invalid,,,,,[Cl-],
,,,CL:A:1551,invalid,,,,,[Cl-],
,,,CL:A:1552,invalid,,,,,[Cl-],
,,,CL:A:1553,invalid,,,,,[Cl-],
,,,CL:A:1554,invalid,,,,,[Cl-],
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1538,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1539,invalid,,,,,C(COCCOCCO)O,
,,2CEK,,,,,,,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:602,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,N8T:A:600,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6,
,,,NAG:A:599,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:596,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PGE:A:700,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:701,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:702,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:703,invalid,,,,,C(COCCOCCO)O,
,,2CMF,,,,,,,
,,,F11:A:1536,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6EZG,,,,,,,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,C6K:A:603,valid,,,,,COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl,
,,,C6K:B:603,valid,,,,,COc1c2cc[nH]c2c(cc1C(=O)CCC3CCN(CC3)Cc4ccccc4)Cl,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2V97,,,,,,,
,,,CFQ:A:1537,valid,Ki,~,20,nM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:A:1538,valid,Ki,~,20,nM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:B:1536,valid,Ki,~,20,nM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:B:1537,valid,Ki,~,20,nM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CL:A:1536,invalid,,,,,[Cl-],
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1540,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1VOT,,,,,,,
,,,HUP:A:999,valid,Ki,=,250,nM,C/C=C/1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,
,,1GPK,,,,,,,
,,,HUP:A:1540,valid,Ki,=,4.3,uM,C/C=C/1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6H12,,,,,,,
,,,MES:A:614,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:612,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:611,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PEG:B:613,invalid,,,,,C(COCCO)O,
,,,PEG:B:614,invalid,,,,,C(COCCO)O,
,,,PEG:A:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:617,invalid,,,,,C(COCCO)O,
,,,PEG:B:612,invalid,,,,,C(COCCO)O,
,,,PEG:A:615,invalid,,,,,C(COCCO)O,
,,,PEG:A:616,invalid,,,,,C(COCCO)O,
,,,PEG:B:611,invalid,,,,,C(COCCO)O,
,,,NAG:A:620,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:619,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:615,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:617,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:616,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:B:605,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,CL:B:618,invalid,,,,,[Cl-],
,,,CL:A:625,invalid,,,,,[Cl-],
,,,CL:A:624,invalid,,,,,[Cl-],
,,,CL:A:622,invalid,,,,,[Cl-],
,,,CL:A:621,invalid,,,,,[Cl-],
,,,CL:A:623,invalid,,,,,[Cl-],
,,,FJK:B:619,valid,,,,,c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O,
,,,FJK:A:626,valid,,,,,c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN8C2=O,
,,,SO4:A:627,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE GOL:A:603,invalid,,,,,,
,,2WG1,,,,,,,
,,,FP1:A:605,valid,,,,,CN1C=CC=C/C1=C/NO,
,,,GB:A:604,invalid,,,,,CP(=O)(O)O,
,,,MES:A:607,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:609,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:606,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:608,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,PEG:A:619,invalid,,,,,C(COCCO)O,
,,,PEG:A:620,invalid,,,,,C(COCCO)O,
,,,PEG:A:621,invalid,,,,,C(COCCO)O,
,,,PEG:A:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:617,invalid,,,,,C(COCCO)O,
,,,PG4:A:612,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:610,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:611,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:613,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:614,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:616,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:615,invalid,,,,,C(COCCOCCO)O,
,,4TVK,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,TJH:A:605,valid,,,,,c1cc2c(c(c1)O)C(=O)C=C(C2=O)NCCNc3c4ccc(cc4nc5c3CCCC5)Cl,
,,2VJB,,,,,,,
,,,CCD:A:1539,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:A:1540,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1539,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1540,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CL:A:1538,invalid,,,,,[Cl-],
,,,CL:A:1543,invalid,,,,,[Cl-],
,,,CL:A:1544,invalid,,,,,[Cl-],
,,,CL:B:1538,invalid,,,,,[Cl-],
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1541,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1542,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1541,invalid,,,,,C(COCCOCCO)O,
,,3I6Z,,,,,,,
,,,G6X:A:1,valid,,,,,COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@@](C2)CCCCCCN5C(=O)c6ccccc6S5(=O)=O)C=C[C@@H](C4)O,
,,,NAG:A:536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2ACK,,,,,,,
,,,EDR:A:999,valid,,,,,CC[N+](C)(C)c1cccc(c1)O,
,,2XI4,,,,,,,
,,,AFT:A:1000,valid,,,,,COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2,
,,,AFT:B:1000,valid,,,,,COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5C=CO[C@@H]5O2,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:B:1001,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,K:A:1010,Part of Protein,,,,,[K+],
,,,NAG:A:1007,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1008,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1009,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1008,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1009,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:1003,invalid,,,,,C(COCCO)O,
,,,PEG:A:1004,invalid,,,,,C(COCCO)O,
,,,PEG:A:1005,invalid,,,,,C(COCCO)O,
,,,PEG:B:1003,invalid,,,,,C(COCCO)O,
,,,PEG:B:1005,invalid,,,,,C(COCCO)O,
,,,PEG:B:1006,invalid,,,,,C(COCCO)O,
,,,PGE:A:1006,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1004,invalid,,,,,C(COCCOCCO)O,
,,5E4T,,,,,,,
,,,EDO:A:633,invalid,,,,,C(CO)O,
,,,EDO:A:637,invalid,,,,,C(CO)O,
,,,EDO:A:634,invalid,,,,,C(CO)O,
,,,EDO:A:631,invalid,,,,,C(CO)O,
,,,EDO:A:638,invalid,,,,,C(CO)O,
,,,EDO:A:636,invalid,,,,,C(CO)O,
,,,EDO:A:630,invalid,,,,,C(CO)O,
,,,EDO:A:635,invalid,,,,,C(CO)O,
,,,EDO:A:632,invalid,,,,,C(CO)O,
,,,PGE:A:628,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:629,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:627,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:625,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:626,invalid,,,,,C(COCCOCCO)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,PEG:A:622,invalid,,,,,C(COCCO)O,
,,,PEG:A:624,invalid,,,,,C(COCCO)O,
,,,PEG:A:619,invalid,,,,,C(COCCO)O,
,,,PEG:A:613,invalid,,,,,C(COCCO)O,
,,,PEG:A:615,invalid,,,,,C(COCCO)O,
,,,PEG:A:616,invalid,,,,,C(COCCO)O,
,,,PEG:A:621,invalid,,,,,C(COCCO)O,
,,,PEG:A:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:614,invalid,,,,,C(COCCO)O,
,,,PEG:A:617,invalid,,,,,C(COCCO)O,
,,,PEG:A:623,invalid,,,,,C(COCCO)O,
,,,PEG:A:620,invalid,,,,,C(COCCO)O,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MBT:A:612,valid,Ki,=,40,nM,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,2C58,,,,,,,
,,,AT3:A:1537,valid,,,,,CC(=O)SCC[N+](C)(C)C,
,,,CL:A:1545,invalid,,,,,[Cl-],
,,,CL:A:1546,invalid,,,,,[Cl-],
,,,CL:A:1547,invalid,,,,,[Cl-],
,,,CL:A:1548,invalid,,,,,[Cl-],
,,,CL:A:1549,invalid,,,,,[Cl-],
,,,CL:A:1550,invalid,,,,,[Cl-],
,,,CL:A:1551,invalid,,,,,[Cl-],
,,,ETM:A:1536,valid,,,,,C[N+](C)(C)CCS,
,,,NAG:A:1539,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1540,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1541,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1542,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1543,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1544,invalid,,,,,C(COCCOCCO)O,
,,2VJC,,,,,,,
,,,CCD:A:1537,invalid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1539,invalid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CHH:A:1538,valid,,,,,CC(=O)CCC[N+](C)(C)C,
,,,CHH:B:1536,valid,,,,,CC(=O)CCC[N+](C)(C)C,
,,,CL:A:1536,invalid,,,,,[Cl-],
,,,CL:A:1539,invalid,,,,,[Cl-],
,,,CL:A:1544,invalid,,,,,[Cl-],
,,,CL:B:1538,invalid,,,,,[Cl-],
,,,NAG:A:1541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1542,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1540,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1540,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1543,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1537,invalid,,,,,C(COCCOCCO)O,
,,6G1W,,,,,,,
,,,E0Z:B:604,valid,,,,,COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl,
,,,E0Z:A:604,valid,,,,,COc1cc(ccc1O)CNC(=O)Cc2cn(nn2)CCNc3c4ccccc4nc5c3ccc(c5)Cl,
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5NAP,,,,,,,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,DZ7:A:611,valid,Ki,=,11.12,nM,COc1cc2c(cc1OC)C(=O)/C(=C/C3CCN(CC3)Cc4ccccc4)/C2,
,,1H22,,,,,,,
,,,E10:A:1536,valid,Ki,=,0.8,nM,C1C[C@@H](C2=C(C1)NC(=O)C=C2)NCCCCCCCCCCN[C@H]3CCCC4=C3C=CC(=O)N4,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5BWC,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,HBP:A:603,valid,Ki,=,0.061,uM,c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2ccccc2C=NO,
,,1GQR,,,,,,,
,,,EMM:A:1999,invalid,,,,,CN(C=C)C(=O)O,
,,,NAG:A:1996,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1997,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SAF:A:1998,valid,,,,,C[C@@H](c1cccc(c1)O)N(C)C,
,,1DX6,,,,,,,
,,,GNT:A:602,valid,ic50,=,652,nM,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,NAG:A:603,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PG4:A:601,invalid,,,,,C(COCCOCCOCCO)O,
,,2VJD,,,,,,,
,,,CCD:A:1541,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:A:1542,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1539,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1540,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CL:A:1538,invalid,,,,,[Cl-],
,,,CL:A:1539,invalid,,,,,[Cl-],
,,,CL:A:1540,invalid,,,,,[Cl-],
,,,CL:B:1542,invalid,,,,,[Cl-],
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1543,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1544,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1541,invalid,,,,,C(COCCOCCO)O,
,,2V96,,,,,,,
,,,CFQ:A:1536,valid,Ki,=,29,uM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:A:1537,valid,Ki,=,29,uM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:B:1536,valid,Ki,=,29,uM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,CFQ:B:1537,valid,Ki,=,29,uM,C[As+](C)(C)CCO[C@@H](c1ccccc1[N+](=O)O)C(F)(F)F,
,,,NAG:A:1538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1538,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5NAU,,,,,,,
,,,DZ0:A:611,valid,Ki,=,29.86,nM,COc1ccc2c(c1)C/C(=CC3CCN(CC3)Cc4ccccc4)/C2=O,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG FUC:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,2VJA,,,,,,,
,,,CCD:A:1540,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:A:1541,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1539,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CCD:B:1540,valid,,,,,C[C@H](CCC[N+](C)(C)C)O,
,,,CL:A:1538,invalid,,,,,[Cl-],
,,,CL:A:1539,invalid,,,,,[Cl-],
,,,CL:A:1543,invalid,,,,,[Cl-],
,,,CL:B:1538,invalid,,,,,[Cl-],
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1542,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1544,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1541,invalid,,,,,C(COCCOCCO)O,
,,1GPN,,,,,,,
,,,HUB:A:1538,valid,Ki,=,0.334,uM,CC1=C[C@H]2CC3=C(C=CC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4,
,,,NAG:A:1536,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6G1U,,,,,,,
,,,E1K:B:607,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:A:607,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:B:608,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:B:606,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:A:608,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:B:605,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:A:610,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,E1K:A:609,valid,,,,,C[n+]1c2cc(ccc2c(c3c1CCCC3)N)Cl,
,,,CL:B:609,invalid,,,,,[Cl-],
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:614,invalid,,,,,C(COCCO)O,
,,,PEG:B:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:613,invalid,,,,,C(COCCO)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1JJB,,,,,,,
,,,NAG:A:9010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:9020,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PE7:A:999,valid,,,,,C(COCCOCCOCCOCCOCCOCCS)O,
,,6FQN,,,,,,,
,,,NAG:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,P6G:A:612,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,E2W:A:601,valid,,,,,c1cc2c(cc1Cl)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)CNO)O,
,,1E66,,,,,,,
,,,HUX:A:803,valid,Ki,=,0.13,nM,CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)N)[C@@H](C2)C1,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1ZGC,,,,,,,
,,,A2E:A:1002,valid,ic50,=,38.8,nM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5,
,,,A2E:B:1001,valid,ic50,=,38.8,nM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@H]4CCCC5=C4C=CC(=O)N5,
,,,NAG:A:1059,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1416,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1457,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1592,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:4162,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3I6M,,,,,,,
,,,G3X:A:1,valid,,,,,COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N@](C2)CCCN5CCCCC5)C=C[C@@H](C4)O,
,,,NAG:A:536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6FLD,,,,,,,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,NAG:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,1PG:A:605,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,DQ5:A:604,valid,,,,,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O,
,,6G1V,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:605,invalid,,,,,[Cl-],
,,,E1N:A:604,valid,,,,,CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1,
,,,E1N:B:604,valid,,,,,CCC1=C[C@@H]2Cc3c(c(c4ccc(cc4[n+]3C)Cl)N)[C@@H](C2)C1,
,,,PEG:B:606,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,1ZGB,,,,,,,
,,,A1E:A:1001,valid,ic50,=,8.8,nM,c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5,
,,,NAG:A:4161,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:591,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1W4L,,,,,,,
,,,GL8:A:1540,valid,ic50,=,4,nM,COc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](=C2)CCCCCCCCN5C(=O)c6ccccc6C5=O)C=C[C@@H](C4)O,
,,,NAG:A:1536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2C5G,,,,,,,
,,,CL:A:1537,invalid,,,,,[Cl-],
,,,CL:A:1539,invalid,,,,,[Cl-],
,,,CL:A:1540,invalid,,,,,[Cl-],
,,,CL:A:1541,invalid,,,,,[Cl-],
,,,CL:A:1542,invalid,,,,,[Cl-],
,,,CL:A:1543,invalid,,,,,[Cl-],
,,,CL:A:1544,invalid,,,,,[Cl-],
,,,ETM:A:1536,valid,,,,,C[N+](C)(C)CCS,
,,,ETM:A:1538,valid,,,,,C[N+](C)(C)CCS,
,,,NAG:A:1545,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1546,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:1547,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1548,invalid,,,,,C(COCCOCCO)O,
,,3ZV7,,,,,,,
,,,1PE:A:1537,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CL:A:1545,invalid,,,,,[Cl-],
,,,CL:A:1546,invalid,,,,,[Cl-],
,,,CL:A:1547,invalid,,,,,[Cl-],
,,,CL:A:1548,invalid,,,,,[Cl-],
,,,CL:A:1549,invalid,,,,,[Cl-],
,,,CL:A:1550,invalid,,,,,[Cl-],
,,,CL:A:1551,invalid,,,,,[Cl-],
,,,CL:A:1552,invalid,,,,,[Cl-],
,,,CL:A:1553,invalid,,,,,[Cl-],
,,,CL:A:1554,invalid,,,,,[Cl-],
,,,CL:A:1555,invalid,,,,,[Cl-],
,,,EDO:A:1540,invalid,,,,,C(CO)O,
,,,MES:A:1542,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:1544,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NHG:A:1541,valid,,,,,C[C@@]12CCN[C@@H]1Nc3c2cc(cc3)O,
,,,PEG:A:1538,invalid,,,,,C(COCCO)O,
,,1W76,,,,,,,
,,,GNT:A:1538,valid,ic50,=,702,nM,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,GNT:B:1538,valid,ic50,=,702,nM,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,NAG:A:1536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1536,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1W6R,,,,,,,
,,,GNT:A:1536,valid,ic50,=,702,nM,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,MG:A:1537,Part of Protein,,,,,[Mg+2],
,,,NAG:A:1059,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1416,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4M0F,,,,,,,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,NO3:B:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,1YK:A:604,valid,Ki,=,1.7,nM,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O,
,,,1YK:B:605,valid,Ki,=,1.7,nM,C[C@@]12CC[C@@]3([C@@]([C@]1(CC4=C(O2)C=C(OC4=O)c5cc(c(c(c5)OC)OC)OC)O)(C(=O)C=CC3(C)C)C)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,4EY5,,,,,,,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:606,invalid,,,,,CS(=O)C,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,HUP:A:604,valid,,,,,C/C=C/1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,
,,,HUP:B:605,valid,,,,,C/C=C/1[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,6O4X,,,,,,,
,,,AA:B:603,valid,,,,,c1ccc2c(c1)c(c3ccccc3[nH+]2)N,
,,,AA:A:605,valid,,,,,c1ccc2c(c1)c(c3ccccc3[nH+]2)N,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:604,invalid,,,,,[N+](=O)([O-])[O-],
,,4EY7,,,,,,,
,,,E20:A:604,valid,,,,,COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4,
,,,E20:B:605,valid,,,,,COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO3:B:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,4M0E,,,,,,,
,,,1YL:A:604,valid,Ki,=,0.7,uM,Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C,
,,,1YL:B:605,valid,Ki,=,0.7,uM,Cc1cccc2c1ccc3c2C(=O)C(=O)C4=C3OC[C@@H]4C,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,NO3:B:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,6O66,,,,,,,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,LND:B:601,valid,,,,,c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O,
,,,LND:A:601,valid,,,,,c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O,
,,6O50,,,,,,,
,,,EBW:A:601,valid,,,,,C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C,
,,,EBW:B:601,valid,,,,,C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:604,invalid,,,,,[N+](=O)([O-])[O-],
,,5HF9,,,,,,,
,,,HI6:B:610,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:A:607,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,PE8:B:606,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,DEP:A:604,invalid,,,,,CCOP(=O)OCC,
,,,DEP:B:605,invalid,,,,,CCOP(=O)OCC,
,,,NO3:B:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6U34,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,NO3:B:605,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,PQV:B:604,valid,Ki,=,157,uM,C1CCCN(CC1)CCNC(=O)/C=N/O,
,,,PQV:A:603,valid,Ki,=,157,uM,C1CCCN(CC1)CCNC(=O)/C=N/O,
,,5HFA,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,FP1:B:609,valid,,,,,CN1C=CC=C/C1=C/NO,
,,,FP1:A:607,valid,,,,,CN1C=CC=C/C1=C/NO,
,,,FP1:A:608,valid,,,,,CN1C=CC=C/C1=C/NO,
,,,DEP:A:604,invalid,,,,,CCOP(=O)OCC,
,,,DEP:B:605,invalid,,,,,CCOP(=O)OCC,
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6O5V,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,LND:B:601,valid,,,,,c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O,
,,,LND:A:601,valid,,,,,c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O,
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,4EY6,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,GNT:A:604,valid,,,,,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,GNT:B:605,valid,,,,,C[N@@]1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NO3:B:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,PE8:B:609,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,6CQY,,,,,,,
,,,HI6:A:605,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:B:605,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,VX:A:606,valid,,,,,CCO[P@](=O)(C)O,
,,,VX:B:606,valid,,,,,CCO[P@](=O)(C)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,6NEA,,,,,,,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,HLO:B:605,valid,,,,,c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2C=NO)C=NO,
,,,HLO:A:605,valid,,,,,c1c[n+](ccc1C(=O)N)COC[n+]2ccc(cc2C=NO)C=NO,
,,,FUC:A:606,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,6CQW,,,,,,,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,VX:A:606,invalid,,,,,CCO[P@](=O)(C)O,
,,,VX:B:605,invalid,,,,,CCO[P@](=O)(C)O,
,,,HI6:B:606,valid,Kd,=,0.000000064,M,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:A:607,valid,Kd,=,0.000000064,M,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,6O4W,,,,,,,
,,,NO3:A:605,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:605,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:606,invalid,,,,,[N+](=O)([O-])[O-],
,,,E20:B:604,valid,,,,,COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4,
,,,E20:A:604,valid,,,,,COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,6CQU,,,,,,,
,,,HI6:B:601,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:A:601,valid,,,,,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,7PE:A:606,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,6U37,,,,,,,
,,,VX:A:601,invalid,,,,,CCO[P@](=O)(C)O,
,,,VX:B:601,invalid,,,,,CCO[P@](=O)(C)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:605,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:607,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:606,invalid,,,,,[N+](=O)([O-])[O-],
,,,PQV:B:602,valid,,,,,C1CCCN(CC1)CCNC(=O)/C=N/O,
,,,PQV:A:602,valid,,,,,C1CCCN(CC1)CCNC(=O)/C=N/O,
,Family. Representative Entry is ,2WHP,,,,,,,
,,,CO3:A:1544,invalid,,,,,C(=O)([O-])[O-],
,,,HI6:A:1543,valid,Kd,~,100,uM,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,HI6:B:1543,valid,Kd,~,100,uM,c1cc[n+](c(c1)C=NO)COC[n+]2ccc(cc2)C(=O)N,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,P6G:B:1545,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:B:1544,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6ARY,,,,,,,
,,,FLC:A:805,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:804,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:803,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:804,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,BT7:B:801,invalid,,,,,CCC(CC)n1cc(cn1)[C@@H](C(F)F)O,
,,,BT7:A:801,invalid,,,,,CCC(CC)n1cc(cn1)[C@@H](C(F)F)O,
,,,CL:A:806,invalid,,,,,[Cl-],
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6ARX,,,,,,,
,,,NAG:B:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FLC:A:1003,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1003,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1002,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1004,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,CL:A:1005,invalid,,,,,[Cl-],
2.1.1.49,,,,,,,,,
,Family. Representative Entry is ,2A14,,,,,,,
,,,SAH:A:4001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
6.4.1.6,,,,,,,,,
,Family. Representative Entry is ,5M45,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:L:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:I:201,Part of Protein,,,,,[Zn+2],
,,,MG:D:805,Part of Protein,,,,,[Mg+2],
,,,MG:J:806,Part of Protein,,,,,[Mg+2],
,,,MG:L:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:805,Part of Protein,,,,,[Mg+2],
,,,MG:G:806,Part of Protein,,,,,[Mg+2],
,,,MG:G:805,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:H:804,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:D:806,Part of Protein,,,,,[Mg+2],
,,,MG:H:805,invalid,,,,,[Mg+2],
,,,MG:A:806,Part of Protein,,,,,[Mg+2],
,,,MG:K:804,invalid,,,,,[Mg+2],
,,,MG:E:804,invalid,,,,,[Mg+2],
,,,MG:B:806,Part of Protein,,,,,[Mg+2],
,,,MG:E:803,Part of Protein,,,,,[Mg+2],
,,,MG:K:803,Part of Protein,,,,,[Mg+2],
,,,MG:J:805,Part of Protein,,,,,[Mg+2],
,,,MG:H:803,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,invalid,,,,,[Mg+2],
,,,MG:E:806,Part of Protein,,,,,[Mg+2],
,,,MG:H:802,Part of Protein,,,,,[Mg+2],
,,,MG:K:802,Part of Protein,,,,,[Mg+2],
,,,ACT:D:802,invalid,,,,,CC(=O)[O-],
,,,ACT:G:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:805,invalid,,,,,CC(=O)[O-],
,,,ACT:G:803,invalid,,,,,CC(=O)[O-],
,,,ACT:E:805,invalid,,,,,CC(=O)[O-],
,,,ACT:K:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:J:803,invalid,,,,,CC(=O)[O-],
,,,ACT:J:802,invalid,,,,,CC(=O)[O-],
,,,ACT:H:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:D:803,invalid,,,,,CC(=O)[O-],
,,,AE4:A:804,invalid,,,,,CCOCCOCCOCCOCCOCCO,
,,,AE4:D:804,invalid,,,,,CCOCCOCCOCCOCCOCCO,
,,,AE4:J:804,invalid,,,,,CCOCCOCCOCCOCCOCCO,
,,,AE4:G:804,invalid,,,,,CCOCCOCCOCCOCCOCCO,
,,,AMP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:H:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:K:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MN:G:801,Part of Protein,,,,,[Mn+2],
,,,MN:A:801,Part of Protein,,,,,[Mn+2],
,,,MN:D:801,Part of Protein,,,,,[Mn+2],
,,,MN:J:801,Part of Protein,,,,,[Mn+2],
3.4.24.11,,,,,,,,,
,Family. Representative Entry is ,2YB9,,,,,,,
,,,HA0:A:1751,valid,ic50,=,0.6,nM,CCC[C@H](CC1(CCCC1)C(=O)N[C@H](Cc2ncc(o2)c3ccccc3)C(=O)O)C(=O)O,
,,,ZN:A:1750,Part of Protein,,,,,[Zn+2],
,,1R1H,,,,,,,
,,,BIR:A:2001,valid,Ki,=,1.2,nM,C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O,
,,,NAG:A:752,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:753,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:754,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,1DMT,,,,,,,
,,,GOL:A:751,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:752,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:753,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:754,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RDF:A:750,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,,ZN:A:755,Part of Protein,,,,,[Zn+2],
,,5JMY,,,,,,,
,,,ZN:A:806,Part of Protein,,,,,[Zn+2],
,,,ZN:B:806,Part of Protein,,,,,[Zn+2],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,6LD:B:807,valid,,,,,C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O,
,,,6LD:A:807,valid,,,,,C[C@H](C[C@@H](Cc1ccc(cc1)c2ccccc2)NC(=O)CCC(=O)O)C(=O)O,
,,4CTH,,,,,,,
,,,GOL:A:1753,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1751,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1755,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1754,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1758,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1756,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1757,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1752,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:752,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:753,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:754,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1750,Part of Protein,,,,,[Zn+2],
,,,RDF:A:1759,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)O)O)O)O,
,,1Y8J,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,NAG:A:752,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:753,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:754,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,STS:A:900,valid,ic50,=,0.04,uM,c1ccc(cc1)C[C@H](CS)c2[nH]c3cc[nH+]cc3n2,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,1R1J,,,,,,,
,,,NAG:A:752,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:753,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:754,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OIR:A:2001,valid,Ki,=,2.3,nM,C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2ccccc2)S,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,6SUK,,,,,,,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:805,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,PEG:A:811,invalid,,,,,C(COCCO)O,
,,,PEG:A:807,invalid,,,,,C(COCCO)O,
,,,FT8:A:806,valid,ic50,=,8,nM,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
8.-.-.-,,,,,,,,,
,Family. Representative Entry is ,1WDN,,,,,,,
,,,GLN:A:227,valid,Kd,=,0.5,uM,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4WQQ,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,MAN:D:204,valid,Ka,=,3170,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:204,valid,Ka,=,3170,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:204,valid,Ka,=,3170,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:204,valid,Ka,=,3170,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1WMZ,,,,,,,
,,,A2G:B:502,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,NGA:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:C:503,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:504,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5ZXD,,,,,,,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4WMY,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,3S6:A:404,valid,Kd,=,85,nM,C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O,
,,,3S6:B:404,valid,Kd,=,85,nM,C=CCO[C@H]1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O)O,
,,6USC,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,KO2:A:404,valid,ic50,=,0.7,mM,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,,,KO2:B:404,valid,ic50,=,0.7,mM,C=CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O)O)C(=O)O,
,Family. Representative Entry is ,1FRW,,,,,,,
,,,ACT:A:195,invalid,,,,,CC(=O)[O-],
,,,GTP:A:198,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:197,Part of Protein,,,,,[Mn+2],
,,,ZN:A:196,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2J1T,,,,,,,
,,,CA:A:1154,Part of Protein,,,,,[Ca+2],
,,,CA:B:1152,Part of Protein,,,,,[Ca+2],
,,,NAG FUC GAL FUC:C:1,valid,Ka,=,1000,M^-1,,
,,2J1U,,,,,,,
,,,CA:A:1151,Part of Protein,,,,,[Ca+2],
,,,CA:B:1152,Part of Protein,,,,,[Ca+2],
,,,BGC GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,2J1V,,,,,,,
,,,CA:A:1152,Part of Protein,,,,,[Ca+2],
,,,CA:B:1152,Part of Protein,,,,,[Ca+2],
,,,NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,2J1S,,,,,,,
,,,CA:A:1152,Part of Protein,,,,,[Ca+2],
,,,CA:B:1152,Part of Protein,,,,,[Ca+2],
,,,FUL:A:1153,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1153,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,6RUP,,,,,,,
,,,SER SER SER SER:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CO)CO)CO)C([NH3+])CO,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3DRG,,,,,,,
,,,ARG PRO PRO GLY PHE SER PRO PHE ALA:B:1,valid,Kd,=,0.1,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)C)Cc2ccccc2)CCC1)CO)C(NC(=O)CNC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1)Cc1ccccc1,
,,,CL:A:601,invalid,,,,,[Cl-],
,,3DRJ,,,,,,,
,,,ALA HIS ALA LYS ALA:B:1,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1)C)CCCC[NH3+],
,,3DRF,,,,,,,
,,,ALA SER ASN SER ILE ALA SER GLY:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NCC=O)CO)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CO)CC(=O)N)CO)C(CC)C,
,,3DRK,,,,,,,
,,,SER PHE ALA ASN GLY:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(=O)N)C)Cc1ccccc1)C([NH3+])CO,
,,3RYB,,,,,,,
,,,SER LEU SER GLN SER LEU SER GLN SER:B:1,valid,Kd,=,4.2,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCC(=O)N)CO)CC(C)C)CO)CCC(=O)N)CO)CC(C)C)C([NH3+])CO,
,,3DRI,,,,,,,
,,,ALA ALA SER ALA SER ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)CO)C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,,3DRH,,,,,,,
,,,ALA ALA ALA ALA ALA ALA:B:1,valid,,,,,O=CC(N)C,
,Family. Representative Entry is ,4XCP,,,,,,,
,,,PLM:A:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2NNQ,,,,,,,
,,,SO4:A:291,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:292,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T4B:A:293,valid,Ki,<,2,nM,CCc1c(c(nn1c2ccccc2c3cccc(c3)OCC(=O)O)c4ccccc4)c5ccccc5,
,,1G74,,,,,,,
,,,OLA:A:132,valid,Kd,=,0.3,uM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PO4:A:133,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3FR5,,,,,,,
,,,I4A:A:132,valid,ic50,=,0.069,uM,c1cc(cc(c1)C(=O)N)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCCC3,
,,1LIE,,,,,,,
,,,PLM:A:133,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PPI:A:134,valid,,,,,CCC(=O)O,
,,3FR4,,,,,,,
,,,F8A:A:501,valid,ic50,=,0.049,uM,c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3)C(F)(F)F,
,,2HNX,,,,,,,
,,,ACY:A:138,invalid,,,,,CC(=O)O,
,,,ACY:A:140,invalid,,,,,CC(=O)O,
,,,PLM:A:135,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PO4:A:137,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1ADL,,,,,,,
,,,ACD:A:135,valid,Kd,=,4.4,uM,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,O:A:132,invalid,,,,,O,
,,,O:A:133,invalid,,,,,O,
,,,O:A:134,invalid,,,,,O,
,,,PPI:A:136,valid,,,,,CCC(=O)O,
,,5EDB,,,,,,,
,,,5M8:A:201,valid,Ki,=,0.1,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,1TOU,,,,,,,
,,,B1V:A:501,valid,ic50,=,1,uM,c1c(nc(nc1O)SCC(=O)N2CCCCC2)C(F)(F)F,
,,1LID,,,,,,,
,,,OLA:A:132,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,1LIF,,,,,,,
,,,STE:A:132,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,3JSQ,,,,,,,
,,,CL:A:200,invalid,,,,,[Cl-],
,,,HNE:A:201,valid,,,,,CCCCC[C@H](C=CC=O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1TOW,,,,,,,
,,,CRZ:A:501,valid,ic50,=,0.57,uM,c1ccc2c(c1)c3ccccc3n2CCCC(=O)O,
,,5EDC,,,,,,,
,,,5M7:A:201,valid,Ki,=,0.022,uM,c1ccc(cc1)c2c3cc(ccc3nc(c2C(=O)O)N4CCCCC4)Cl,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HZ8,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,65Z:A:200,valid,Ki,=,0.016,uM,c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl,
,,3HK1,,,,,,,
,,,B64:A:132,valid,Ki,=,0.67,uM,COC(=O)c1c(cc(s1)c2cccs2)NC(=O)C=CC(=O)O,
,,1LIC,,,,,,,
,,,HDS:A:133,valid,,,,,CCCCCCCCCCCCCCCCS(=O)(=O)O,
,,,PPI:A:134,valid,,,,,CCC(=O)O,
,,3FR2,,,,,,,
,,,8CA:A:501,valid,ic50,=,0.59,uM,c1ccc(cc1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC3,
,,2ANS,,,,,,,
,,,2AN:A:201,valid,Kd,=,1.2,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:202,valid,Kd,=,1.2,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,5HZ6,,,,,,,
,,,65Y:A:201,valid,Ki,=,0.016,uM,CC(C)c1cccc(c1)c2c3cc(ccc3nc(c2C(=O)O)C(C)C)Cl,
,Family. Representative Entry is ,6MHE,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4CNL,,,,,,,
,,,CHT:A:1280,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1275,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1277,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1281,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1274,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1279,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1278,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1276,valid,,,,,C[N+](C)(C)CCO,
,,,SO4:A:1284,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1283,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1282,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1G8S,,,,,,,
,,,MET:A:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1EPB,,,,,,,
,,,9CR:A:165,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9CR:B:165,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,Family. Representative Entry is ,6E20,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,NDG GAL:D:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5ODY,,,,,,,
,,,9SK:A:301,valid,Kd,=,4,nM,c1cc(c(c2c1OC(=O)C(=C2)CO[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cc(c(c(c6)F)F)F)O)CO)O)F)F,
,,5NF9,,,,,,,
,,,8VW:A:301,valid,Kd,=,4.7,uM,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC,
,,6Y78,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,5E8A,,,,,,,
,,,5KS:A:302,valid,Kd,=,0.034,uM,c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccc(cc6)F)O)CO)O)F,
,,,CL:A:301,invalid,,,,,[Cl-],
,,6QLQ,,,,,,,
,,,PEG:B:301,invalid,,,,,C(COCCO)O,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,J4E:B:302,valid,Kd,=,31,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O,
,,1A3K,,,,,,,
,,,NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,3T1M,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,DQT:A:1,valid,Kd,=,0.91,mM,Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3)C)OC)CO)O,
,,6RHM,,,,,,,
,,,J1E:A:301,valid,,,,,c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O,
,,6Q0Q,,,,,,,
,,,P8G:A:302,valid,Kd,=,535,mM,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O,
,,,CL:A:301,invalid,,,,,[Cl-],
,,4LBL,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,BGC GAL SIA:B:1,valid,Kd,=,11,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,6I77,,,,,,,
,,,H5Q:A:301,valid,Kd,=,11,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N)F)F)O,
,,6Y4C,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,CL:A:502,invalid,,,,,[Cl-],
,,2NMN,,,,,,,
,,,BGC GAL:B:1,valid,Kd,=,260,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,4R9B,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6RHL,,,,,,,
,,,J0T:A:301,valid,,,,,c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O,
,,2NN8,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:B:1,valid,Kd,=,260,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL:C:1,valid,Kd,=,260,uM,,
,,6QLP,,,,,,,
,,,J3Q:A:302,valid,Kd,=,22,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,,4JC1,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,YIO GAL:C:1,valid,Kd,=,50,uM,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4R9A,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6QLS,,,,,,,
,,,HRK:A:301,valid,Kd,=,15,uM,c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,5EXO,,,,,,,
,,,5SY:A:302,valid,,,,,CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC)CO)O)OCC2=Cc3ccccc3OC2=O,
,,,CL:A:301,invalid,,,,,[Cl-],
,,5E88,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,5KT:A:302,valid,Kd,=,0.065,uM,c1cscc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6ccsc6)O)CO)O,
,,4R9D,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6QLR,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,J4N:A:301,valid,Kd,=,8.8,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(cc(c4)F)F)O,
,,1KJL,,,,,,,
,,,BR:A:301,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,CL:A:300,invalid,,,,,[Cl-],
,,,NAG GAL:B:1,valid,Kd,=,67,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,6QLU,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,J62:A:301,valid,Kd,=,5.2,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)C)F)O,
,,3T1L,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,MQT:A:1,valid,Kd,=,0.55,mM,Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O,
,,2XG3,,,,,,,
,,,CL:A:1252,invalid,,,,,[Cl-],
,,,NAG GAL UNU:B:1,valid,Kd,=,18.2,uM,O=C(NC1C(O)C(OC2C(O)C(NC(=O)c3ccccc3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4LBJ,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,BGC GAL NAG GAL:B:1,valid,Kd,=,0.39,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,6QLN,,,,,,,
,,,J5Q:A:301,valid,Kd,=,88,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cccc(c4)F)O,
,,4R9C,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6I74,,,,,,,
,,,H5Z:A:901,valid,Kd,=,3.4,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)F)F)F)O,
,,3ZSJ,,,,,,,
,,,BGC GAL:B:1,valid,Kd,=,231,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,4LBM,,,,,,,
,,,BGC GAL NAG GAL:B:1,valid,Kd,=,0.97,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,1KJR,,,,,,,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,NAG GAL BEK:B:1,valid,Kd,=,0.88,uM,FC=1C(F)=C(C(=O)NC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)C(F)C(F)C=1OC,
,,6EOL,,,,,,,
,,,BKH:A:303,valid,Kd,=,0.037,uM,c1cc(c(cc1S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl,
,,,SCN:A:301,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,6KXB,,,,,,,
,,,GTR ADA ADA:B:1,valid,Kd,~,1300,uM,,
,,6I78,,,,,,,
,,,H5H:A:301,valid,Kd,=,18,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)NC)F)F)O,
,,6Q17,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,P8J:A:301,valid,Kd,=,972,mM,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,6QGE,,,,,,,
,,,J1E:A:301,valid,Kd,=,0.000000064,M,c1cc(cc(c1)F)c2cn(nn2)C[C@@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O,
,,6G0V,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,EGZ:A:301,valid,Kd,=,166,uM,C1[C@H](NC(=O)C2=C1O[C@@H]3[C@H](S2)[C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)C(=O)O,
,,3AYE,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6QLT,,,,,,,
,,,PEG:A:301,invalid,,,,,C(COCCO)O,
,,,J5W:A:302,valid,Kd,=,23,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccccc4F)O,
,,6EOG,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,BKK:A:1001,valid,Kd,=,1.6,uM,c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O,
,,,SCN:A:1006,invalid,,,,,C(#N)[S-],
,,6KXA,,,,,,,
,,,GTR ADA:B:1,valid,Kd,~,1700,uM,,
,,5E89,,,,,,,
,,,TD2:A:302,valid,Kd,=,0.014,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O,
,,,CL:A:301,invalid,,,,,[Cl-],
,,4LBO,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,BGC GAL SIA:B:1,valid,Kd,=,1.7,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,6QGF,,,,,,,
,,,J0T:A:301,valid,Kd,=,0.000000064,M,c1cc(cc(c1)F)c2cn(nn2)C[C@H](CS[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)n4cc(nn4)c5cccc(c5)F)O)O,
,,6I76,,,,,,,
,,,H5N:A:301,valid,Kd,=,8.5,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)O,
,,2NMO,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:B:1,valid,Kd,=,260,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,3AYC,,,,,,,
,,,BME:A:251,invalid,,,,,C(CS)O,
,,,BME:B:251,invalid,,,,,C(CS)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL SIA NGA GAL:C:1,valid,Kd,=,57,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,4JCK,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,TWJ SDY:C:1,valid,Kd,=,4.3,mM,,
,,5NFA,,,,,,,
,,,TVD TVM:B:1,valid,Kd,=,5.6,uM,O=C(NC1C(O)C(OC2C(O)C(OCc3cc(OC)ccc3)C(O)C(CO)O2)C(CO)OC1NC(=O)C)C,
,,4LBK,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,BGC GAL NAG GAL:B:1,valid,Kd,=,0.32,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,5OAX,,,,,,,
,,,9Q5:A:301,valid,Kd,=,27,nM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OCC5=Cc6c(ccc(c6F)F)OC5=O)O)CO)O,
,,4RL7,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6QLO,,,,,,,
,,,J5E:A:301,valid,Kd,=,92,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(c(c4)F)F)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,3AYD,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A2G NPO GAL:B:1,valid,Kd,=,65,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,A2G NPO GAL:C:1,valid,Kd,=,65,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,4LBN,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,GLC GAL NAG GAL:B:1,valid,Kd,=,0.65,uM,,
,,6I75,,,,,,,
,,,H5T:A:301,valid,Kd,=,23,uM,Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4c(c(c(c(c4F)F)O)F)F)O,
,Family. Representative Entry is ,2GMM,,,,,,,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MNP,,,,,,,
,,,SLB:A:401,valid,Kd,=,45.5,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3VD8,,,,,,,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,K:A:1208,Part of Protein,,,,,[K+],
,,,K:A:1207,Part of Protein,,,,,[K+],
,,,K:A:1209,Part of Protein,,,,,[K+],
,,,K:A:1206,Part of Protein,,,,,[K+],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,4DCT,,,,,,,
,,,GDP:A:501,valid,Kd,=,8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:502,valid,Kd,=,8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2HJG,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,4DCS,,,,,,,
,,,GDP:A:501,valid,Kd,=,8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DCU,,,,,,,
,,,GDP:A:501,valid,Kd,=,8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:502,valid,Kd,=,8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6S4Q,,,,,,,
,,,4IR:A:402,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:B:401,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:B:402,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:A:401,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,6S50,,,,,,,
,,,4IR:A:402,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:B:401,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:B:402,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,4IR:A:401,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1OH3,,,,,,,
,,,GLC BGC BGC BGC BGC BGC:C:1,valid,Kd,=,0.109,mM,,
,,1GWM,,,,,,,
,,,BGC BGC BGC BGC BGC:B:2,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CO:A:1154,Part of Protein,,,,,[Co+2],
,,,EDO:A:1161,invalid,,,,,C(CO)O,
,,,EDO:A:1162,invalid,,,,,C(CO)O,
,,,EDO:A:1163,invalid,,,,,C(CO)O,
,,,EDO:A:1164,invalid,,,,,C(CO)O,
,,,EDO:A:1165,invalid,,,,,C(CO)O,
,,,EDO:A:1166,invalid,,,,,C(CO)O,
,,,EDO:A:1167,invalid,,,,,C(CO)O,
,,,EDO:A:1168,invalid,,,,,C(CO)O,
,,,GLC BGC BGC BGC BGC BGC:B:1,valid,,,,,,
,,1W8U,,,,,,,
,,,BMA BMA BMA BMA BMA:B:1,valid,,,,,,
,,1GWL,,,,,,,
,,,BMA BMA BMA BMA BMA BMA:B:1,valid,Ka,=,2500,M^-1,,
,,1W8T,,,,,,,
,,,GLC BGC BGC BGC BGC BGC:B:1,valid,,,,,,
,Family. Representative Entry is ,3JYR,,,,,,,
,,,GLC GLC AC1:B:1,valid,Kd,=,2.9,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,3NBC,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3NBE,,,,,,,
,,,SO4:A:355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:356,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z3Q NGA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OCCN=NN)C,
,,,Z3Q NGA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OCCN=NN)C,
,,3NBD,,,,,,,
,,,SO4:A:672,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:677,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:679,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:671,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:678,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GAL:C:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,2XJU,,,,,,,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CL:A:1274,invalid,,,,,[Cl-],
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN:B:1,valid,Kd,=,1.6,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,NA:A:1273,Part of Protein,,,,,[Na+],
,,,NA:A:1275,Part of Protein,,,,,[Na+],
,,2XJR,,,,,,,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CL:A:1274,invalid,,,,,[Cl-],
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN MAN MAN:B:1,valid,,,,,,
,,,NA:A:1273,Part of Protein,,,,,[Na+],
,,,NA:A:1275,Part of Protein,,,,,[Na+],
,,2XJV,,,,,,,
,,,BGC:A:1277,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:1278,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1273,Part of Protein,,,,,[Ca+2],
,,,CL:A:1275,invalid,,,,,[Cl-],
,,,NA:A:1274,Part of Protein,,,,,[Na+],
,,,NA:A:1276,Part of Protein,,,,,[Na+],
,,2XJT,,,,,,,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CL:A:1274,invalid,,,,,[Cl-],
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1273,Part of Protein,,,,,[Na+],
,,,NA:A:1275,Part of Protein,,,,,[Na+],
,,,BMA MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2XJS,,,,,,,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CL:A:1274,invalid,,,,,[Cl-],
,,,MAN MAN:B:1,valid,Kd,=,3.5,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,NA:A:1273,Part of Protein,,,,,[Na+],
,,,NA:A:1275,Part of Protein,,,,,[Na+],
,,2XJP,,,,,,,
,,,BMA:A:1278,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:1279,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:1272,Part of Protein,,,,,[Ca+2],
,,,CA:A:1276,Part of Protein,,,,,[Ca+2],
,,,CL:A:1274,invalid,,,,,[Cl-],
,,,MAN:A:1277,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:1273,Part of Protein,,,,,[Na+],
,,,NA:A:1275,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6F5W,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:A:419,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,KG1:A:415,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:B:417,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:A:417,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:B:415,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:A:418,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:B:414,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:A:416,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:B:416,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:B:413,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:A:413,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,KG1:A:414,valid,Kd,=,149,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC=C=C)O)O)O,
,,,DMS:B:412,invalid,,,,,CS(=O)C,
,,,DMS:A:411,invalid,,,,,CS(=O)C,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:B:411,invalid,,,,,CS(=O)C,
,,,DMS:A:412,invalid,,,,,CS(=O)C,
,,6FLU,,,,,,,
,,,NA:B:408,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:B:407,Part of Protein,,,,,[Na+],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,DTK:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:B:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:B:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,,DTK:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@H](O[C@@H]([C@H]2O)CO)OC)O)O)O,
,,6RGJ,,,,,,,
,,,CL:A:416,invalid,,,,,[Cl-],
,,,CL:A:417,invalid,,,,,[Cl-],
,,,CL:A:418,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,BGC:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:406,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,NA:A:411,invalid,,,,,[Na+],
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,5MXG,,,,,,,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NAG GAL FUC:B:1,valid,Kd,=,4.44,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,Kd,=,4.44,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:C:1,valid,Kd,=,4.44,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,6RGW,,,,,,,
,,,K3Q:A:406,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,K3Q:A:409,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,K3Q:A:408,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,K3Q 7CV:A:401,valid,,,,,O(CC1C(O)C(OC)C(O)C(OC2C(OC)C(OC)C(O)OC2C)O1)C,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,K3Q 7CV K42:A:403,valid,,,,,O(CC1C(O)C(OC)C(O)C(OC2C(OC)C(OC)C(Oc3ccc(OCC[NH3+])cc3)OC2C)O1)C,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,5MXH,,,,,,,
,,,GAL:A:401,valid,ic50,=,377.96,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:402,valid,ic50,=,377.96,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:403,valid,ic50,=,377.96,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,5MXF,,,,,,,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,invalid,,,,,[Na+],
,,,MFU:A:402,valid,Kd,=,0.26,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:401,valid,Kd,=,0.26,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,6FHX,,,,,,,
,,,DSQ:A:407,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:A:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:B:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,DSQ:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@@H]2C[C@@H](O[C@@H]([C@H]2O)CO)O)O)O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:407,Part of Protein,,,,,[Na+],
,,,CL:A:402,invalid,,,,,[Cl-],
,,6RGU,,,,,,,
,,,3MG:A:406,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:401,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:408,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:407,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:402,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:405,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:404,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:403,valid,Kd,=,14.1,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,NA:A:416,Part of Protein,,,,,[Na+],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NA:A:415,invalid,,,,,[Na+],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,6RGR,,,,,,,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,RM4:A:403,valid,ic50,=,147,mM,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RM4:A:402,valid,ic50,=,147,mM,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O,
,,6FHY,,,,,,,
,,,DS8:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:A:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,DS8:B:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C[C@H]2C[C@H](O[C@H](C2)O)CO)O)O)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,CL:A:407,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3OKI,,,,,,,
,,,OKI:A:2,valid,ic50,=,0.07,uM,c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl,
,,,OKI:C:1,valid,ic50,=,0.07,uM,c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)Cl,
,,3OKH,,,,,,,
,,,OKH:A:1,valid,,,,,c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl,
,,,OKH:A:2,valid,,,,,c1cc(ccc1c2nc3ccc(cc3n2[C@@H](C4CCCCC4)C(=O)NC5CCCCC5)C(=O)O)Cl,
,,3FXV,,,,,,,
,,,643:A:1,valid,,,,,Cc1cc(ccc1c2ccc3c(c2)n(cc3C(=O)O)C)OCc4c(noc4C(C)C)c5c(cncc5Cl)Cl,
,Family. Representative Entry is ,2X52,,,,,,,
,,,GOL:B:1174,invalid,,,,,C(C(CO)O)O,
,,,GYT:A:1172,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O,
,,,GYT:A:1173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O,
,,,GYT:B:1172,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O,
,,,GYT:B:1173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO)O)O,
,Family. Representative Entry is ,3WBG,,,,,,,
,,,2AN:B:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:D:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,Family. Representative Entry is ,6VJK,,,,,,,
,,,BTN:C:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:G:401,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:F:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:J:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:L:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:E:401,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:I:401,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:H:300,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:K:401,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,VAL LYS:K:304,invalid,,,,,O=C([O-])C(NC(=O)C(N)C(C)C)CCCC[NH3+],
,,,PRO:I:303,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,SER:G:302,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:E:301,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,2G5L,,,,,,,
,,,FME ASP VAL GLU ALA TRP LEU:X:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc1c2c([nH]c1)cccc2)C)CCC(=O)[O-])C(C)C)CC(=O)[O-])C,
,,,FME ASP VAL GLU ALA TRP LEU:Y:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)Cc1c2c([nH]c1)cccc2)C)CCC(=O)[O-])C(C)C)CC(=O)[O-])C,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WZO,,,,,,,
,,,CD:D:204,invalid,,,,,[Cd+2],
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,CD:D:206,invalid,,,,,[Cd+2],
,,,CD:D:205,invalid,,,,,[Cd+2],
,,,CD:B:202,invalid,,,,,[Cd+2],
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,CD:D:203,invalid,,,,,[Cd+2],
,,,CD:C:203,invalid,,,,,[Cd+2],
,,,P6G:D:207,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:206,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,ZOE:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,,ZOE:C:201,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,,ZOE:B:201,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,,ZOE:D:201,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,2RTM,,,,,,,
,,,IMI:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,SO4:A:137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Y59,,,,,,,
,,,T21:A:200,valid,Kd,=,5.8,uM,c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O,
,,,T21:D:200,valid,Kd,=,5.8,uM,c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O,
,,,T21:C:200,valid,Kd,=,5.8,uM,c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O,
,,,T21:B:200,valid,Kd,=,5.8,uM,c1cc(cc(c1)C(F)(F)F)c2cc3c(o2)C=CNC3=O,
,,1NQM,,,,,,,
,,,BTN:A:150,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:350,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:550,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:750,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1VWQ,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,1NC9,,,,,,,
,,,IMI:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,2RTI,,,,,,,
,,,FMT:B:1567,invalid,,,,,C(=O)O,
,,,FMT:B:1621,invalid,,,,,C(=O)O,
,,,FMT:D:1615,invalid,,,,,C(=O)O,
,,,GLL:B:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,,GLL:D:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,5B5G,,,,,,,
,,,6FX:D:202,valid,Kd,=,5.6,uM,COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O,
,,,6FX:C:202,valid,Kd,=,5.6,uM,COC(=O)c1cc(cnc1)c2cc3c(o2)C=CNC3=O,
,,,SO3:A:201,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:201,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:202,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:C:201,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:203,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:202,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:D:201,invalid,,,,,[O-]S(=O)[O-],
,,4Y5D,,,,,,,
,,,MT6:B:200,valid,Kd,=,1.2,uM,COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,MT6:A:200,valid,Kd,=,1.2,uM,COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,MT6:D:200,valid,Kd,=,1.2,uM,COC(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,PE3:A:201,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,P6G:C:203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DMS:C:201,invalid,,,,,CS(=O)C,
,,1SRJ,,,,,,,
,,,NAB:A:142,valid,,,,,c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O,
,,,NAB:B:142,valid,,,,,c1ccc2c(c1)c(ccc2O)/N=N/c3ccccc3C(=O)O,
,,4CPF,,,,,,,
,,,LH3:B:1136,valid,,,,,COC(=O)c1ccc(cc1)c2cccc(c2NNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccc(cc5)C(=O)OC,
,,1NDJ,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2IZL,,,,,,,
,,,IMI:B:300,valid,Kd,=,1,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,Kd,=,1,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,2RTJ,,,,,,,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,GLL:A:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,1SWR,,,,,,,
,,,BTN:A:300,valid,Kd,=,0.12,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:400,valid,Kd,=,0.12,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:500,valid,Kd,=,0.12,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:600,valid,Kd,=,0.12,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1SWE,,,,,,,
,,,BTN:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:500,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1SRF,,,,,,,
,,,MTB:A:300,valid,,,,,CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O,
,,,MTB:B:300,valid,,,,,CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O,
,,1RXJ,,,,,,,
,,,BNI:A:801,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:802,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:C:803,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:D:804,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,1SWK,,,,,,,
,,,BTN:A:5100,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:C:5300,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2RTR,,,,,,,
,,,IMI:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,4CPI,,,,,,,
,,,CA:A:1138,invalid,,,,,[Ca+2],
,,,CA:D:1139,invalid,,,,,[Ca+2],
,,,PEG:D:1137,invalid,,,,,C(COCCO)O,
,,,PEG:A:1136,invalid,,,,,C(COCCO)O,
,,,PEG:D:1138,invalid,,,,,C(COCCO)O,
,,,PEG:A:1137,invalid,,,,,C(COCCO)O,
,,,LH4:D:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,,,LH4:B:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,,,LH4:A:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,,,LH4:C:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,,2RTD,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,3WYQ,,,,,,,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,BTN:B:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2RTK,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GLL:A:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,,SO4:A:137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LCZ,,,,,,,
,,,BH7:A:401,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,,BH7:B:400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2,
,,1SWN,,,,,,,
,,,BTN:A:300,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:500,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:600,valid,Ka,=,100000000000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1RST,,,,,,,
,,,ALA TRP ARG HIS PRO GLN PHE GLY GLY:P:1,valid,Kd,=,37,uM,O=C(NC(C(=O)NCC(=O)NCC(=O)[O-])Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc2c3c([nH]c2)cccc3)CCCNC(=[NH2+])N)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,2RTG,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,CL:B:2151,invalid,,,,,[Cl-],
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SLE,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:M:0,valid,Kd,=,670,nM,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,Kd,=,670,nM,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,4CPE,,,,,,,
,,,LUV:A:1136,valid,,,,,c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5,
,,,LUV:B:1135,valid,,,,,c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5,
,,2RTE,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WZP,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,ZOF:D:201,valid,,,,,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:A:201,valid,,,,,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:C:201,valid,,,,,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:B:201,valid,,,,,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,1VWF,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,Kd,=,2200,nM,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,2RTO,,,,,,,
,,,IMI:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,1SWT,,,,,,,
,,,BTN:A:500,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1SWP,,,,,,,
,,,BTN:A:300,valid,Ka,=,100000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:400,valid,Ka,=,100000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:600,valid,Ka,=,100000000,M^-1,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:C:500,valid,Ka,=,100000000,M^-1,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1VWG,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,,,,,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,6M9B,,,,,,,
,,,BTN:D:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2RTF,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VWC,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,,,,,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,1STS,,,,,,,
,,,PHE CYS HIS PRO GLN ASN THR NH2:M:2,valid,Kd,=,10,uM,SCC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(O)C)CC(=O)N)CCC(=O)N)CCC1)Cc1nc[nH]c1,
,,,PHE CYS HIS PRO GLN ASN THR NH2:P:1,valid,Kd,=,10,uM,SCC(NC(=O)C([NH3+])Cc1ccccc1)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(O)C)CC(=O)N)CCC(=O)N)CCC1)Cc1nc[nH]c1,
,,2IZI,,,,,,,
,,,BTN:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1VWN,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,Kd,=,1500,nM,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,2IZF,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1SWD,,,,,,,
,,,BTN:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1LCW,,,,,,,
,,,SHM:A:401,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2,
,,,SHM:B:402,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCCC(=O)O)NC(=O)N2,
,,1RXK,,,,,,,
,,,BNI:A:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,1SRG,,,,,,,
,,,MHB:A:300,valid,Ka,=,200000,M^-1,Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O,
,,,MHB:B:300,valid,Ka,=,200000,M^-1,Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O,
,,1I9H,,,,,,,
,,,BNI:A:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,1VWR,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,2IZH,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2RTP,,,,,,,
,,,IMI:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,1SLD,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,Kd,=,270,nM,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,1KL3,,,,,,,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:E:3,valid,Kd,=,1.37,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:F:4,valid,Kd,=,1.37,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:G:4,valid,Kd,=,1.37,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:H:4,valid,Kd,=,1.37,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,1DF8,,,,,,,
,,,BTN:A:201,valid,Kd,=,0.2,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:202,valid,Kd,=,0.2,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,3T6F,,,,,,,
,,,BSO:A:5101,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,,,BSO:B:5201,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:5400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5404,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:5300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VWO,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,,,,,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,1VWK,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:M:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,1SLG,,,,,,,
,,,PHE SER HIS PRO GLN ASN THR:M:2,valid,Kd,=,125,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)CC(=O)N)C(O)C,
,,,PHE SER HIS PRO GLN ASN THR:P:1,valid,Kd,=,125,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)CC(=O)N)C(O)C,
,,2RTQ,,,,,,,
,,,IMI:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,1N43,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,3WZN,,,,,,,
,,,BTN:B:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VWD,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,,,,,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,2Y3F,,,,,,,
,,,BTN:A:1136,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:1137,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1138,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1139,invalid,,,,,C(C(CO)O)O,
,,1VWL,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:M:3,valid,Kd,=,2.33,uM,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,Kd,=,2.33,uM,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,1VWA,,,,,,,
,,,PHE SER HIS PRO GLN ASN THR:M:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)CC(=O)N)C(O)C,
,,,PHE SER HIS PRO GLN ASN THR:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)CC(=O)N)C(O)C,
,,2IZG,,,,,,,
,,,BTN:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:D:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3MG5,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:6001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6011,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6010,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6005,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:6009,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6007,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:6008,invalid,,,,,C(C(CO)O)O,
,,1SRI,,,,,,,
,,,DMB:A:300,valid,Ka,=,1200000,M^-1,Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O,
,,,DMB:B:300,valid,Ka,=,1200000,M^-1,Cc1cc(cc(c1O)C)N=Nc2ccccc2C(=O)O,
,,1KL5,,,,,,,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:E:3,valid,Kd,=,1.02,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:F:4,valid,Kd,=,1.02,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:G:4,valid,Kd,=,1.02,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,,ASN TRP SER HIS PRO GLN PHE GLU LYS:H:4,valid,Kd,=,1.02,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N,
,,1VWH,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,,,,,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,1PTS,,,,,,,
,,,PHE SER HIS PRO GLN ASN THR:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc2ccccc2)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)CC(=O)N)C(O)C,
,,1MK5,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1LUQ,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:4001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1VWB,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,,,,,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,2IZK,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GLL:A:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,,SO4:A:137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1VWE,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,,,,,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,2RTN,,,,,,,
,,,IMI:B:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,IMI:D:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,1MEP,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,3WYP,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1003,invalid,,,,,C(C(CO)O)O,
,,,BTN:A:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BSO:B:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,,,BSO:C:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,,2RTL,,,,,,,
,,,IMI:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=N)N2,
,,,SO4:A:137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N9M,,,,,,,
,,,BTN:A:5100,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:5400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1VWI,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:M:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,2IZJ,,,,,,,
,,,BTN:A:300,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,1STR,,,,,,,
,,,ACE CYS HIS PRO GLN ASN THR NH2:M:0,valid,Kd,=,17,uM,SCC(NC(=O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(O)C)CC(=O)N)CCC(=O)N)CCC1)Cc1nc[nH]c1,
,,,ACE CYS HIS PRO GLN ASN THR NH2:P:0,valid,Kd,=,17,uM,SCC(NC(=O)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C(O)C)CC(=O)N)CCC(=O)N)CCC1)Cc1nc[nH]c1,
,,1VWP,,,,,,,
,,,ACE CYS HIS PRO GLN GLY PRO PRO CYS NH2:P:0,valid,,,,,SCC(NC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)C(NC(=O)C)CS)Cc4nc[nH]c4)CCC3)CCC(=O)N)CCC2)CCC1)C(=O)[NH3+],
,,1VWJ,,,,,,,
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:M:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,,HIS PRO GLN GLY PRO PRO CYS LYS NH2 LEA:P:3,valid,,,,,O=C([NH3+])C(NC(=O)C1NC(=O)C2N(C(=O)C3N(C(=O)CNC(=O)C(CCC(=O)N)NC(=O)C4N(C(=O)C(Cc5nc[nH]c5)NC(=O)CCCCSC1)CCC4)CCC3)CCC2)CCCC[NH3+],
,,1LCV,,,,,,,
,,,SNR:A:1,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2,
,,,SNR:B:2,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2,
,,1RSU,,,,,,,
,,,SER ASN TRP SER HIS PRO GLN PHE GLU LYS:P:2,valid,Kd,=,72,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)Cc2c3c([nH]c2)cccc3)CO)Cc2nc[nH]c2)CCC1)CCC(=O)N)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+],
,,2RTH,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,ACT:D:500,invalid,,,,,CC(=O)[O-],
,,,GLL:B:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,,GLL:D:300,valid,,,,,C12C(NC(=O)N1)NC(=O)N2,
,,5B5F,,,,,,,
,,,6F3:B:200,valid,Kd,=,5.6,uM,CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,6F3:C:200,valid,Kd,=,5.6,uM,CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,6F3:D:200,valid,Kd,=,5.6,uM,CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,,6F3:A:200,valid,Kd,=,5.6,uM,CNS(=O)(=O)c1cccc(c1)c2cc3c(o2)C=CNC3=O,
,,2F01,,,,,,,
,,,BTN:A:5100,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:A:5101,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:B:5201,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,1VWM,,,,,,,
,,,ACE CYS HIS PRO GLN PHE CYS NH2:P:0,valid,,,,,O=C(N)CCC1C(=O)NC(Cc2ccccc2)C(=O)NC(C(=O)[NH3+])CSSCC(NC(=O)C)C(=O)NC(Cc2nc[nH]c2)C(=O)N2C(C(=O)N1)CCC2,
,,2GH7,,,,,,,
,,,BTN:A:5100,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5200,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:A:5101,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTQ:B:5201,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5TUX,,,,,,,
,,,ECH:A:401,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5TV0,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,EQ3:A:402,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,4XB5,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,45D:A:501,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,,3MG3,,,,,,,
,,,ECH:A:351,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,ECH:B:351,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:326,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:325,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:326,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:327,invalid,,,,,C(C(CO)O)O,
,,3MG1,,,,,,,
,,,ECH:A:351,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,ECH:B:351,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:324,invalid,,,,,C(C(CO)O)O,
,,5TUW,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,EQ3:D:401,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:A:402,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:F:401,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:E:402,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:C:403,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:B:401,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,Family. Representative Entry is ,1JN2,,,,,,,
,,,CA:P:238,Part of Protein,,,,,[Ca+2],
,,,MN:P:239,Part of Protein,,,,,[Mn+2],
,,,SFP:P:1001,valid,Ka,=,12200,M^-1,c1c(ccc(c1)S([O-])(O)O)/c/2c3/nc(/c(c/4[nH]/c(c(c5n/c(c(c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3,
,,4CZS,,,,,,,
,,,8LR GLY TRP TYR XSN:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)CC(=O)[O-])Cc1ccc(O)cc1)C(NC(=O)CNOCCOC1C(O)C(O)C(O)C(CO)O1)Cc1c2c([nH]c1)cccc2,
,,,8LR GLY TRP TYR XSN:G:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)CC(=O)[O-])Cc1ccc(O)cc1)C(NC(=O)CNOCCOC1C(O)C(O)C(O)C(CO)O1)Cc1c2c([nH]c1)cccc2,
,,,8LR GLY TRP TYR XSN:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)CC(=O)[O-])Cc1ccc(O)cc1)C(NC(=O)CNOCCOC1C(O)C(O)C(O)C(CO)O1)Cc1c2c([nH]c1)cccc2,
,,,8LR GLY TRP TYR XSN:H:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)N)CC(=O)[O-])Cc1ccc(O)cc1)C(NC(=O)CNOCCOC1C(O)C(O)C(O)C(CO)O1)Cc1c2c([nH]c1)cccc2,
,,,CA:B:1239,Part of Protein,,,,,[Ca+2],
,,,CA:C:1239,Part of Protein,,,,,[Ca+2],
,,,CA:D:1239,Part of Protein,,,,,[Ca+2],
,,,CA:A:1239,Part of Protein,,,,,[Ca+2],
,,,MN:C:1240,Part of Protein,,,,,[Mn+2],
,,,MN:B:1240,Part of Protein,,,,,[Mn+2],
,,,MN:A:1240,Part of Protein,,,,,[Mn+2],
,,,MN:D:1240,Part of Protein,,,,,[Mn+2],
,,5U3E,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MMA:A:301,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2CYF,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,CA:C:238,Part of Protein,,,,,[Ca+2],
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MN:C:239,Part of Protein,,,,,[Mn+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1CVN,,,,,,,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:B:239,Part of Protein,,,,,[Ca+2],
,,,CA:C:239,Part of Protein,,,,,[Ca+2],
,,,CA:D:239,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN:H:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:G:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:F:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,2OW4,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2D7F,,,,,,,
,,,CA:A:240,Part of Protein,,,,,[Ca+2],
,,,CA:F:240,Part of Protein,,,,,[Ca+2],
,,,CA:L:240,Part of Protein,,,,,[Ca+2],
,,,CA:S:240,Part of Protein,,,,,[Ca+2],
,,,DBB:A:903,valid,,,,,CC[C@H](C(=O)O)N,
,,,DBB:F:901,valid,,,,,CC[C@H](C(=O)O)N,
,,,DBB:L:902,valid,,,,,CC[C@H](C(=O)O)N,
,,,DBB:S:904,valid,,,,,CC[C@H](C(=O)O)N,
,,,MMA:A:238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:F:1238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:L:2238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:S:3238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MN:F:239,Part of Protein,,,,,[Mn+2],
,,,MN:L:239,Part of Protein,,,,,[Mn+2],
,,,MN:S:239,Part of Protein,,,,,[Mn+2],
,,2P2K,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,2EF6,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,CA:B:238,Part of Protein,,,,,[Ca+2],
,,,CA:C:238,Part of Protein,,,,,[Ca+2],
,,,CA:D:238,Part of Protein,,,,,[Ca+2],
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MN:B:239,Part of Protein,,,,,[Mn+2],
,,,MN:C:239,Part of Protein,,,,,[Mn+2],
,,,MN:D:239,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2P37,,,,,,,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:B:239,Part of Protein,,,,,[Ca+2],
,,,CA:C:239,Part of Protein,,,,,[Ca+2],
,,,CA:D:239,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,ZEL MAN:H:1,valid,,,,,,
,,,ZEL MAN:E:1,valid,,,,,,
,,,ZEL MAN:G:1,valid,,,,,,
,,,ZEL MAN:F:1,valid,,,,,,
,,4PF5,,,,,,,
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,M3N:A:303,valid,,,,,c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,,M3N:B:301,valid,,,,,c1c(nnn1[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,1GIC,,,,,,,
,,,CA:A:240,Part of Protein,,,,,[Ca+2],
,,,CA:B:240,Part of Protein,,,,,[Ca+2],
,,,GYP:A:238,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:B:238,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MN:B:239,Part of Protein,,,,,[Mn+2],
,,1JW6,,,,,,,
,,,CA:A:241,Part of Protein,,,,,[Ca+2],
,,,IPA:A:3001,invalid,,,,,CC(C)O,
,,,MET TYR TRP TYR PRO TYR:B:4000,valid,,,,,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])Cc2ccc(O)cc2)CCC1)Cc1ccc(O)cc1)Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)C,
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,,PTD:A:2001,invalid,,,,,C(CC=O)CC=O,
,,4K21,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,1ONA,,,,,,,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:B:239,Part of Protein,,,,,[Ca+2],
,,,CA:C:239,Part of Protein,,,,,[Ca+2],
,,,CA:D:239,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,MMA MAN MAN:H:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN MAN:G:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN MAN:F:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4L8Q,,,,,,,
,,,CD:A:306,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,2OVU,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2CY6,,,,,,,
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:D:1003,Part of Protein,,,,,[Ca+2],
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,,MN:D:240,Part of Protein,,,,,[Mn+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1I3H,,,,,,,
,,,CA:A:241,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,1HQW,,,,,,,
,,,CA:A:241,Part of Protein,,,,,[Ca+2],
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,,PTD:A:2001,invalid,,,,,C(CC=O)CC=O,
,,,TYR PRO TYR:B:3001,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)Cc1ccc(O)cc1,
,,4K1Y,,,,,,,
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:D:304,invalid,,,,,[Cd+2],
,,,CD:D:303,invalid,,,,,[Cd+2],
,,,CD:B:304,invalid,,,,,[Cd+2],
,,,CD:C:304,invalid,,,,,[Cd+2],
,,,CD:C:305,invalid,,,,,[Cd+2],
,,,CD:C:303,invalid,,,,,[Cd+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2P34,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,4K1Z,,,,,,,
,,,CD:A:306,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:D:304,invalid,,,,,[Cd+2],
,,,CD:D:303,invalid,,,,,[Cd+2],
,,,CD:B:304,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,CD:C:303,invalid,,,,,[Cd+2],
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,5CNA,,,,,,,
,,,CA:A:240,Part of Protein,,,,,[Ca+2],
,,,CA:B:240,Part of Protein,,,,,[Ca+2],
,,,CA:C:240,Part of Protein,,,,,[Ca+2],
,,,CA:D:240,Part of Protein,,,,,[Ca+2],
,,,CL:A:241,invalid,,,,,[Cl-],
,,,MMA:A:238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:238,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,,MN:B:239,Part of Protein,,,,,[Mn+2],
,,,MN:C:239,Part of Protein,,,,,[Mn+2],
,,,MN:D:239,Part of Protein,,,,,[Mn+2],
,,3JU9,,,,,,,
,,,CA:A:240,Part of Protein,,,,,[Ca+2],
,,,CL:A:242,invalid,,,,,[Cl-],
,,,CL:A:243,invalid,,,,,[Cl-],
,,,DBB:A:238,valid,,,,,CC[C@H](C(=O)O)N,
,,,GOL:A:239,invalid,,,,,C(C(CO)O)O,
,,,MN:A:241,Part of Protein,,,,,[Mn+2],
,,3D4K,,,,,,,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:B:239,Part of Protein,,,,,[Ca+2],
,,,CA:C:239,Part of Protein,,,,,[Ca+2],
,,,CA:D:239,Part of Protein,,,,,[Ca+2],
,,,GOL:A:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:900,invalid,,,,,C(C(CO)O)O,
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,H1M MAN MAN:H:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CCO)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,H1M MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CCO)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,H1M MAN MAN:G:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CCO)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,H1M MAN MAN:F:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CCO)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1QDC,,,,,,,
,,,CA:A:241,Part of Protein,,,,,[Ca+2],
,,,CA:B:244,Part of Protein,,,,,[Ca+2],
,,,CA:C:246,Part of Protein,,,,,[Ca+2],
,,,CA:D:248,Part of Protein,,,,,[Ca+2],
,,,CL:A:242,invalid,,,,,[Cl-],
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,,MN:B:243,Part of Protein,,,,,[Mn+2],
,,,MN:C:245,Part of Protein,,,,,[Mn+2],
,,,MN:D:247,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4JNJ,,,,,,,
,,,THR LYS VAL LYS:C:131,invalid,,,,,,
,,,ZN:C:202,invalid,,,,,[Zn+2],
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:202,invalid,,,,,[Zn+2],
,,,ZN:D:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:204,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:204,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,BTN:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GLN ASP THR PHE THR LYS VAL LYS:A:127,invalid,,,,,,
,,,GLN ASP THR PHE THR LYS VAL:B:127,invalid,,,,,,
,,,THR PHE THR LYS VAL LYS:D:129,invalid,,,,,,
,Family. Representative Entry is ,5HZ5,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,65X:A:203,valid,Ki,=,0.086,uM,c1ccc(cc1)c2c3cc(ccc3nc(c2c4[nH]nnn4)N5CCCCC5)Cl,
,,5UR9,,,,,,,
,,,MYR:C:204,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:D:204,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:204,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:205,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,8KS:G:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:B:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:E:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:D:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:A:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:C:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:H:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:F:201,valid,Ki,=,0.9,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:G:204,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,1B56,,,,,,,
,,,PLM:A:136,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2WMI,,,,,,,
,,,GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,,,GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,2MSB,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:222,Part of Protein,,,,,[Ca+2],
,,,NAG BMA MAN MAN MAN MAN MAN:C:1,valid,Ki,=,1.3,mM,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OCC2C(O)C(OC3C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(OC)O2)O1)C,
,Family. Representative Entry is ,2V73,,,,,,,
,,,CA:A:1188,Part of Protein,,,,,[Ca+2],
,,,CA:A:1189,Part of Protein,,,,,[Ca+2],
,,,SIA:A:1190,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,2ZQO,,,,,,,
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,IMD:A:451,invalid,,,,,c1c[nH+]c[nH]1,
,,,NGA:A:270,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:271,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:421,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:422,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:423,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2ZQN,,,,,,,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,IMD:A:421,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:422,invalid,,,,,c1c[nH+]c[nH]1,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2DS0,,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,2DRZ,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Y3N,,,,,,,
,,,CA:A:493,Part of Protein,,,,,[Ca+2],
,,,MAV BEM:B:1,valid,Kd,=,2.8,uM,,
,,1Y3P,,,,,,,
,,,CA:A:493,Part of Protein,,,,,[Ca+2],
,,,MAV LGU MAV BEM:B:1,valid,Kd,=,15,uM,O=C([O-])C=1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C=1,
,Family. Representative Entry is ,6SGE,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5T52,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,NGA:A:303,valid,Kd,=,0.54,nM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,A2G:B:303,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,5T55,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CL:B:310,invalid,,,,,[Cl-],
,,,GAL NGA:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,BGC GAL GLA NGA:D:1,valid,Kd,=,0.68,nM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC(CO)C1O)C,
,,5T54,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,GLA FUC A2G:D:1,valid,Kd,=,0.87,nM,,
,,,GLA FUC A2G:C:1,valid,Kd,=,0.87,nM,,
,,5T5J,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ACA SER SER VAL GLY A2G:B:101,valid,Kd,=,0.73,nM,O=C(NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC[NH3+])CO)COC1C(NC(=O)C)C(O)C(O)C(CO)O1)C(C)C,
,,,ACA SER SER VAL GLY A2G:A:100,valid,Kd,=,0.73,nM,O=C(NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC[NH3+])CO)COC1C(NC(=O)C)C(O)C(O)C(CO)O1)C(C)C,
,,5T5L,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ACE SER SER VAL GLY A2G:A:100,valid,Kd,=,0.73,nM,O=C(NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)COC1C(NC(=O)C)C(O)C(O)C(CO)O1)C(C)C,
,,,ACE SER SER VAL GLY A2G:B:100,valid,Kd,=,0.73,nM,O=C(NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CO)COC1C(NC(=O)C)C(O)C(O)C(CO)O1)C(C)C,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,CL:B:307,invalid,,,,,[Cl-],
,,5T5P,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ACE SER THR VAL GLY A2G:A:100,valid,Kd,=,0.71,nM,O=C(NC(C=O)C(C)C)C(NC(=O)C(NC(=O)C)CO)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C,
,,,ACE SER THR VAL GLY A2G:B:100,valid,Kd,=,0.71,nM,O=C(NC(C=O)C(C)C)C(NC(=O)C(NC(=O)C)CO)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)C,
,,,CL:B:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1EJE,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1C1L,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4IFP,,,,,,,
,,,MLI:A:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5I04,,,,,,,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:A:805,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:803,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:804,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1J1N,,,,,,,
,,,CA:A:493,Part of Protein,,,,,[Ca+2],
,,,CA:B:493,Part of Protein,,,,,[Ca+2],
,,,MAV LGU MAV BEM:C:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C=1,
,,,MAV LGU MAV BEM:D:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4C(=O)[O-])OC3C(=O)[O-])OC2C(=O)[O-])C(O)C(O)C=1,
,Family. Representative Entry is ,2DT5,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5BQ5,,,,,,,
,,,ADP BEF:B:301,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:C:301,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,ADP BEF:A:301,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5D48,,,,,,,
,,,L96:A:201,valid,Ki,=,0.03,uM,Cc1c(c(n[nH]1)C)c2c3cc(ccc3n(c2c4cccc(c4)OC(C)C)CCC(=O)O)C5CC5,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5D4A,,,,,,,
,,,57Q:A:201,valid,,,,,c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O,
,,6LJW,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EHO:A:201,valid,,,,,c1ccc(cc1)Nc2ccccc2C(=O)O,
,,6LJX,,,,,,,
,,,EHO:A:201,valid,Ki,=,50690.3,nM,c1ccc(cc1)Nc2ccccc2C(=O)O,
,,6LJU,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EHU:A:201,valid,Kd,=,60.1,nM,CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O,
,,5Y0F,,,,,,,
,,,8JO:A:200,valid,Ki,=,0.21,uM,COc1ccc(c2c1cccc2)S(=O)(=O)Nc3ccc(c(c3)C(=O)O)F,
,,6LJT,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EH6:A:201,valid,Kd,=,34.4,nM,c1ccc(cc1)c2c(cccc2Cl)Nc3ccccc3C(=O)O,
,,5D47,,,,,,,
,,,L19:A:201,valid,Ki,=,0.1,uM,COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5,
,,5Y12,,,,,,,
,,,8JX:A:201,valid,Ki,=,0.59,uM,COc1ccc(c2c1cccc2)S(=O)(=O)NCCCCC(=O)O,
,,6LJS,,,,,,,
,,,EHR:A:201,valid,Kd,=,110.6,nM,c1ccc(cc1)c2ccccc2Nc3ccccc3C(=O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5D45,,,,,,,
,,,57P:A:201,valid,Ki,=,0.12,uM,c1ccc(cc1)c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5,
,,6LJV,,,,,,,
,,,EHC:A:201,valid,Kd,=,37.4,nM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2c3ccc4c(c3)CCO4)Cl,
,,5Y0X,,,,,,,
,,,8JR:A:200,valid,Ki,=,7.75,uM,COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cccc(c3F)C(=O)O,
,,5Y0G,,,,,,,
,,,8JL:A:200,valid,Ki,=,0.2,uM,COc1ccc(c2c1cccc2)S(=O)(=O)Nc3cc(ccc3F)C(=O)O,
,,5Y13,,,,,,,
,,,8K0:A:201,valid,Ki,=,1.16,uM,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O,
,Family. Representative Entry is ,1QFT,,,,,,,
,,,HSM:A:176,valid,Kd,=,1.7,nM,c1c(nc[nH]1)CCN,
,,,HSM:A:177,valid,Kd,=,1.7,nM,c1c(nc[nH]1)CCN,
,,,HSM:B:176,valid,Kd,=,1.7,nM,c1c(nc[nH]1)CCN,
,,,HSM:B:177,valid,Kd,=,1.7,nM,c1c(nc[nH]1)CCN,
,,1QFV,,,,,,,
,,,HSM:A:176,valid,,,,,c1c(nc[nH]1)CCN,
,,,HSM:B:176,valid,,,,,c1c(nc[nH]1)CCN,
,Family. Representative Entry is ,1FDQ,,,,,,,
,,,HXA:A:133,valid,Kd,=,53.4,nM,CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O,
,,,HXA:B:633,valid,Kd,=,53.4,nM,CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)O,
,,5URA,,,,,,,
,,,8KS:D:201,valid,Ki,=,0.4,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:A:201,valid,Ki,=,0.4,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:C:201,valid,Ki,=,0.4,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,8KS:B:201,valid,Ki,=,0.4,uM,c1ccc(cc1)[C@H]2C([C@@H](C2C(=O)Oc3cccc4c3cccc4)c5ccccc5)C(=O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2BMZ,,,,,,,
,,,CD:A:1145,invalid,,,,,[Cd+2],
,,,CD:A:1146,invalid,,,,,[Cd+2],
,,,SO4:A:1141,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1144,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1143,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1145,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MMA XYP:F:1,valid,Kd,=,0.2,mM,O(C)C1C(O)C(OC2C(O)C(O)C(O)CO2)C(O)C(CO)O1,
,,,MMA XYP:C:1,valid,Kd,=,0.2,mM,O(C)C1C(O)C(OC2C(O)C(O)C(O)CO2)C(O)C(CO)O1,
,,,MMA XYP:E:1,valid,Kd,=,0.2,mM,O(C)C1C(O)C(OC2C(O)C(O)C(O)CO2)C(O)C(CO)O1,
,,,MMA XYP:D:1,valid,Kd,=,0.2,mM,O(C)C1C(O)C(OC2C(O)C(O)C(O)CO2)C(O)C(CO)O1,
,,1X1V,,,,,,,
,,,HEZ:A:811,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:812,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:813,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:814,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:815,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:816,invalid,,,,,C(CCCO)CCO,
,,,MMA:A:801,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:803,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:805,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:802,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:804,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,3MIT,,,,,,,
,,,HEZ:A:811,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:812,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:813,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:814,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:816,invalid,,,,,C(CCCO)CCO,
,,,MAN:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:805,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:804,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:806,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,4PIK,,,,,,,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN:G:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN:C:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,4PIT,,,,,,,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN:I:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:G:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:H:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN:C:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2QRY,,,,,,,
,,,TPS:A:400,valid,Kd,=,2.3,nM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,,TPS:B:400,valid,Kd,=,2.3,nM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,,TPS:C:400,valid,Kd,=,2.3,nM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,,,TPS:D:400,valid,Kd,=,2.3,nM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)(O)O,
,Family. Representative Entry is ,4P4T,,,,,,,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3UP3,,,,,,,
,,,EDO:A:200,invalid,,,,,C(CO)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:400,invalid,,,,,C(CO)O,
,,,EDO:A:686,invalid,,,,,C(CO)O,
,,,EDO:A:687,invalid,,,,,C(CO)O,
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,XCA:A:100,valid,,,,,C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)O)C)C,
,,3UP0,,,,,,,
,,,D7S:A:100,valid,,,,,C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,
,,,D7S:B:200,valid,,,,,C[C@H](CCC[C@H](C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4)C)C,
,Family. Representative Entry is ,2F5X,,,,,,,
,,,ASP:A:901,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:902,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:903,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,2JGS,,,,,,,
,,,BTN:A:1001,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1001,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:1001,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1001,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,3P7G,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:D:1,Part of Protein,,,,,[Ca+2],
,,,MAN:A:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:339,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,4N36,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,2F8:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,4N33,,,,,,,
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:D:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,GAL NAG:G:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,BGC GAL NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,3P5I,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,,NAG G6S:H:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)[O-],
,,,NAG G6S:E:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)[O-],
,,,NAG G6S:G:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)[O-],
,,,NAG G6S:F:1,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)[O-],
,,3P5H,,,,,,,
,,,BGC:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,4N37,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MMA:D:401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4N34,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,2F8:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,3P5E,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,,MAN:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,3P5D,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,,MAN:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,3P5G,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,,FUC:C:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GLA FUC GLA:F:1,valid,,,,,,
,,,GAL FUC GLA:E:1,valid,,,,,,
,,4N32,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,2F8:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,,2F8:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O,
,,3P7H,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:D:1,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4N38,,,,,,,
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:D:403,Part of Protein,,,,,[Ca+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,GAL NAG:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:G:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,4N35,,,,,,,
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:D:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,GAL NAG:G:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,BGC GAL NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,3P5F,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:C:500,Part of Protein,,,,,[Ca+2],
,,,CA:D:500,Part of Protein,,,,,[Ca+2],
,,,MAN:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:450,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,Family. Representative Entry is ,6H1U,,,,,,,
,,,ASP:A:401,valid,Kd,=,4.8,uM,C([C@@H](C(=O)O)N)C(=O)O,
,,6H20,,,,,,,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,6H2T,,,,,,,
,,,GLU:A:401,valid,Kd,=,15.2,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2O9V,,,,,,,
,,,VAL PRO PRO PRO VAL PRO PRO PRO PRO SER:B:45,valid,Kd,=,288,uM,O=C(C([NH3+])C(C)C)N1C(C(=O)N2C(C(=O)N3C(C(=O)NC(C(=O)N4C(C(=O)N5C(C(=O)N6C(C(=O)N7C(C(=O)NC(C=O)CO)CCC7)CCC6)CCC5)CCC4)C(C)C)CCC3)CCC2)CCC1,
,Family. Representative Entry is ,2JDU,,,,,,,
,,,CA:C:1115,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1115,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1117,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:555,invalid,,,,,C(C(CO)O)O,
,,,MFU:C:1117,valid,Kd,=,0.19,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:1117,valid,Kd,=,0.19,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MAY,,,,,,,
,,,FUL PK6:A:202,valid,Kd,=,0.29,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1sccc1,
,,,FUL PK6:B:202,valid,Kd,=,0.29,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1sccc1,
,,,FUL PK6:C:202,valid,Kd,=,0.29,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1sccc1,
,,,FUL PK6:D:202,valid,Kd,=,0.29,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1sccc1,
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,5MB1,,,,,,,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,FLC:D:205,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FUL 7KT:D:203,valid,Kd,=,0.000000064,M,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1c(C)cc(C)cc1C,
,,,FUL 7KT:B:203,valid,Kd,=,0.000000064,M,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1c(C)cc(C)cc1C,
,,,FUL 7KT:A:203,valid,Kd,=,0.000000064,M,S(=O)(=O)(NCC1C(O)C(O)C(O)C(C)O1)c1c(C)cc(C)cc1C,
,,4UT5,,,,,,,
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,GAL NAG GAL FUC:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,GLA NAG GAL FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,1OVS,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:C:405,Part of Protein,,,,,[Ca+2],
,,,CA:C:406,Part of Protein,,,,,[Ca+2],
,,,CA:D:407,Part of Protein,,,,,[Ca+2],
,,,CA:D:408,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:205,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,2JDM,,,,,,,
,,,CA:A:1115,Part of Protein,,,,,[Ca+2],
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:B:1115,Part of Protein,,,,,[Ca+2],
,,,CA:B:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1115,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1115,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,FUC:A:1118,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,MFU:B:1117,valid,Kd,=,3.96,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:1117,valid,Kd,=,3.96,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:1117,valid,Kd,=,3.96,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,SO4:A:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q77,,,,,,,
,,,DLE DLY DAL DLE DLY DLY DLE DAL ZDC:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])C)CC(C)C)C)CCCC[NH3+])C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CC(C)C,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3A0E,,,,,,,
,,,SO4:A:112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,3A0D,,,,,,,
,,,MMA:A:111,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:116,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2P0D,,,,,,,
,,,I3P:A:800,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,2P0H,,,,,,,
,,,I3S:A:101,valid,,,,,[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2D6M,,,,,,,
,,,GLC GAL:C:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,,2D6N,,,,,,,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,2D6O,,,,,,,
,,,GOL:X:205,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL NAG GAL:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,4B4Q,,,,,,,
,,,GLC GAL NAG GAL FUC A2G:C:1,valid,Kd,=,1.76,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GLC GAL NAG GAL FUC A2G:D:1,valid,Kd,=,1.76,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,4B4R,,,,,,,
,,,GLC GAL NAG GAL FUC GLA:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GLC GAL NAG GAL FUC GLA:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,1NL5,,,,,,,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:B:1,valid,Kd,=,6,nM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SET,,,,,,,
,,,NI:A:373,Part of Protein,,,,,[Ni+2],
,,,NI:C:373,Part of Protein,,,,,[Ni+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SEY,,,,,,,
,,,ACT:A:383,invalid,,,,,CC(=O)[O-],
,,,ACT:A:384,invalid,,,,,CC(=O)[O-],
,,,ACT:A:385,invalid,,,,,CC(=O)[O-],
,,,ACT:C:380,invalid,,,,,CC(=O)[O-],
,,,ACT:C:381,invalid,,,,,CC(=O)[O-],
,,,ACT:C:382,invalid,,,,,CC(=O)[O-],
,,,ACT:C:385,invalid,,,,,CC(=O)[O-],
,,,ACT:E:379,invalid,,,,,CC(=O)[O-],
,,,GOL:A:386,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:388,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:383,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:384,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:373,Part of Protein,,,,,[Zn+2],
,,,ZN:A:374,Part of Protein,,,,,[Zn+2],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:377,Part of Protein,,,,,[Zn+2],
,,,ZN:A:378,Part of Protein,,,,,[Zn+2],
,,,ZN:A:379,Part of Protein,,,,,[Zn+2],
,,,ZN:A:380,Part of Protein,,,,,[Zn+2],
,,,ZN:A:381,Part of Protein,,,,,[Zn+2],
,,,ZN:A:382,Part of Protein,,,,,[Zn+2],
,,,ZN:C:373,Part of Protein,,,,,[Zn+2],
,,,ZN:C:374,Part of Protein,,,,,[Zn+2],
,,,ZN:C:375,Part of Protein,,,,,[Zn+2],
,,,ZN:C:376,Part of Protein,,,,,[Zn+2],
,,,ZN:C:377,Part of Protein,,,,,[Zn+2],
,,,ZN:C:378,Part of Protein,,,,,[Zn+2],
,,,ZN:C:379,Part of Protein,,,,,[Zn+2],
,,,ZN:E:373,Part of Protein,,,,,[Zn+2],
,,,ZN:E:374,Part of Protein,,,,,[Zn+2],
,,,ZN:E:375,Part of Protein,,,,,[Zn+2],
,,,ZN:E:376,Part of Protein,,,,,[Zn+2],
,,,ZN:E:377,Part of Protein,,,,,[Zn+2],
,,,ZN:E:378,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5B3Y,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1JW5,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3Q29,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:396,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:396,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:397,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1FQC,,,,,,,
,,,GLO GLC GLC:B:1,valid,,,,,O=CC(O)C(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,5ZCA,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1ANF,,,,,,,
,,,GLC GLC:B:1,valid,Ki,=,3.5,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3MBP,,,,,,,
,,,GLC GLC GLC:B:1,valid,Ki,=,0.16,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1DMB,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,1.8,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1FQB,,,,,,,
,,,SOR GLC GLC:B:1,valid,,,,,O(C(C(O)C(O)CO)C(O)CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,3SEU,,,,,,,
,,,ACT:A:381,invalid,,,,,CC(=O)[O-],
,,,ACT:A:382,invalid,,,,,CC(=O)[O-],
,,,ACT:A:383,invalid,,,,,CC(=O)[O-],
,,,ACT:A:384,invalid,,,,,CC(=O)[O-],
,,,ACT:A:385,invalid,,,,,CC(=O)[O-],
,,,ACT:A:386,invalid,,,,,CC(=O)[O-],
,,,GOL:A:387,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:373,Part of Protein,,,,,[Zn+2],
,,,ZN:A:374,Part of Protein,,,,,[Zn+2],
,,,ZN:A:375,Part of Protein,,,,,[Zn+2],
,,,ZN:A:376,Part of Protein,,,,,[Zn+2],
,,,ZN:A:377,Part of Protein,,,,,[Zn+2],
,,,ZN:A:378,Part of Protein,,,,,[Zn+2],
,,,ZN:A:379,Part of Protein,,,,,[Zn+2],
,,,ZN:A:380,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6EQZ,,,,,,,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5B3X,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3G7W,,,,,,,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3Q26,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4MBP,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,Ki,=,2.3,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,1FQD,,,,,,,
,,,GLO GLC GLC GLC:B:1,valid,,,,,O=CC(O)C(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1)C(O)CO,
,,5MM3,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3Q25,,,,,,,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4JBZ,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SER,,,,,,,
,,,CA:A:374,Part of Protein,,,,,[Ca+2],
,,,CL:A:373,invalid,,,,,[Cl-],
,,,CL:C:375,invalid,,,,,[Cl-],
,,,CL:C:376,invalid,,,,,[Cl-],
,,,ZN:C:373,Part of Protein,,,,,[Zn+2],
,,,ZN:C:374,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1LAX,,,,,,,
,,,GLC GLC:D:1,valid,Kd,=,2,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,Kd,=,2,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6N84,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SES,,,,,,,
,,,CL:A:375,invalid,,,,,[Cl-],
,,,CU:A:373,Part of Protein,,,,,[Cu+2],
,,,CU:A:374,Part of Protein,,,,,[Cu+2],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1MDP,,,,,,,
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1MDQ,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SEX,,,,,,,
,,,IOD:A:373,invalid,,,,,[I-],
,,,IOD:A:374,invalid,,,,,[I-],
,,,IOD:A:375,invalid,,,,,[I-],
,,,IOD:A:376,invalid,,,,,[I-],
,,,IOD:A:377,invalid,,,,,[I-],
,,,IOD:A:378,invalid,,,,,[I-],
,,,IOD:A:379,invalid,,,,,[I-],
,,,IOD:A:380,invalid,,,,,[I-],
,,,IOD:A:381,invalid,,,,,[I-],
,,,IOD:A:382,invalid,,,,,[I-],
,,,IOD:A:383,invalid,,,,,[I-],
,,,IOD:C:373,invalid,,,,,[I-],
,,,IOD:C:374,invalid,,,,,[I-],
,,,IOD:C:375,invalid,,,,,[I-],
,,,IOD:C:376,invalid,,,,,[I-],
,,,IOD:C:377,invalid,,,,,[I-],
,,,IOD:C:378,invalid,,,,,[I-],
,,,IOD:C:379,invalid,,,,,[I-],
,,,IOD:C:380,invalid,,,,,[I-],
,,,IOD:C:381,invalid,,,,,[I-],
,,,IOD:C:382,invalid,,,,,[I-],
,,,IOD:C:383,invalid,,,,,[I-],
,,,IOD:C:384,invalid,,,,,[I-],
,,,IOD:C:385,invalid,,,,,[I-],
,,,IOD:C:386,invalid,,,,,[I-],
,,,IOD:C:387,invalid,,,,,[I-],
,,,NI:A:384,Part of Protein,,,,,[Ni+2],
,,,NI:A:385,Part of Protein,,,,,[Ni+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1JVX,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5B3Z,,,,,,,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3G7V,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:411,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3RUM,,,,,,,
,,,IPA:A:402,invalid,,,,,CC(C)O,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,IPA:A:404,invalid,,,,,CC(C)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1JVY,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3Q28,,,,,,,
,,,SO4:A:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:395,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:397,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3SEW,,,,,,,
,,,CL:A:374,invalid,,,,,[Cl-],
,,,CL:A:375,invalid,,,,,[Cl-],
,,,CL:A:376,invalid,,,,,[Cl-],
,,,CL:A:380,invalid,,,,,[Cl-],
,,,GOL:A:377,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:378,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:379,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:381,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:382,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:373,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3LBS,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1EZ9,,,,,,,
,,,GLO GLC GLC GLC:C:1,valid,Kd,=,8,uM,O=CC(O)C(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLO GLC GLC GLC:D:1,valid,Kd,=,8,uM,O=CC(O)C(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1)C(O)CO,
,,3Q27,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5BMY,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,1FQA,,,,,,,
,,,SOR GLC GLC GLC:B:1,valid,,,,,,
,,1MPD,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4RG5,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MLI:B:504,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3HPI,,,,,,,
,,,ACT:A:375,invalid,,,,,CC(=O)[O-],
,,,ACT:B:376,invalid,,,,,CC(=O)[O-],
,,,ZN:A:372,Part of Protein,,,,,[Zn+2],
,,,ZN:A:374,Part of Protein,,,,,[Zn+2],
,,,ZN:B:371,Part of Protein,,,,,[Zn+2],
,,,ZN:B:372,Part of Protein,,,,,[Zn+2],
,,,ZN:B:373,Part of Protein,,,,,[Zn+2],
,,,ZN:B:374,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,valid,Kd,=,6.6,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,Kd,=,6.6,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,5B3W,,,,,,,
,,,CIT:B:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1Z9O,,,,,,,
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:G:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:H:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:I:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:J:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:K:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,,,SER GLU ASP GLU PHE TYR ASP ALA LEU SER:L:473,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(C)C)C)CC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)[O-])C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-],
,Family. Representative Entry is ,4Z28,,,,,,,
,,,BTB:B:202,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:202,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTN:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,4O9S,,,,,,,
,,,EDO:B:211,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:212,invalid,,,,,C(CO)O,
,,,EDO:B:213,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:214,invalid,,,,,C(CO)O,
,,,EDO:B:210,invalid,,,,,C(CO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:209,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,2RY:B:201,valid,ic50,=,0.28,uM,c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F,
,,,2RY:A:201,valid,ic50,=,0.28,uM,c1ccc(c(c1)CC(=O)N2CCN(CC2)c3c4c5c(sc4ncn3)CCC5)C(F)(F)F,
,,,PEG:A:217,invalid,,,,,C(COCCO)O,
,,,CL:A:216,invalid,,,,,[Cl-],
,,,CL:A:215,invalid,,,,,[Cl-],
,,,CL:B:215,invalid,,,,,[Cl-],
,,4PSQ,,,,,,,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:B:209,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:B:210,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2WL:B:201,valid,ic50,=,0.44,uM,c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl,
,,,2WL:A:201,valid,ic50,=,0.44,uM,c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl,
,Family. Representative Entry is ,6SI3,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,LEB:B:402,valid,Kd,=,4,uM,CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br,
,,,LEB:A:402,valid,Kd,=,4,uM,CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,2X0W,,,,,,,
,,,X0W:B:1291,valid,,,,,Cc1nc2cc(c(cc2s1)OC)OC,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,4AGM,,,,,,,
,,,P86:A:400,valid,Kd,=,105,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I,
,,,P86:B:400,valid,Kd,=,105,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)I,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,5AB9,,,,,,,
,,,92O:A:1292,valid,Kd,=,470,uM,CCc1cccc2c1[nH]cc2C3CCNCC3,
,,,92O:B:1292,valid,Kd,=,470,uM,CCc1cccc2c1[nH]cc2C3CCNCC3,
,,,92O:B:1293,valid,Kd,=,470,uM,CCc1cccc2c1[nH]cc2C3CCNCC3,
,,,92O:A:1293,valid,Kd,=,470,uM,CCc1cccc2c1[nH]cc2C3CCNCC3,
,,,ZN:B:313,Part of Protein,,,,,[Zn+2],
,,,ZN:A:313,Part of Protein,,,,,[Zn+2],
,,,PEG:A:1291,invalid,,,,,C(COCCO)O,
,,6GGE,,,,,,,
,,,EYE:B:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C,
,,,EYE:A:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4ccc(s4)C)C[NH2+]C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2X0V,,,,,,,
,,,X0V:B:1290,valid,,,,,c1cc(c(cc1C(F)(F)F)N)N,
,,,X0V:B:1291,valid,,,,,c1cc(c(cc1C(F)(F)F)N)N,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,5O1A,,,,,,,
,,,9H5:A:402,valid,Kd,=,30,uM,CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I,
,,,9H5:B:402,valid,Kd,=,30,uM,CN1CCN(CC1)C(=O)c2cc(c(c(c2O)I)n3cccc3)I,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,5G4O,,,,,,,
,,,O80:B:1292,valid,Kd,=,37.2,uM,CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F,
,,,O80:A:1293,valid,Kd,=,37.2,uM,CN(C)Cc1ccc2c(c1)c3ccccc3n2CC(F)(F)F,
,,,ZN:B:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1292,Part of Protein,,,,,[Zn+2],
,,5O1F,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,9GQ:A:402,valid,Kd,=,30,uM,CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,9GQ:B:402,valid,Kd,=,30,uM,CCCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,5AOJ,,,,,,,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,,Y0V:B:1292,valid,Kd,=,21,uM,c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I,
,,,Y0V:A:1291,valid,Kd,=,21,uM,c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I,
,,,PEG:B:1291,invalid,,,,,C(COCCO)O,
,,6GGF,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,EXQ:A:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C,
,,,EXQ:B:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,5O1G,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,9GK:A:402,valid,Kd,=,116,uM,c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O,
,,,9GK:B:402,valid,Kd,=,116,uM,c1ccc(cc1)CCOc2cc(c(c(c2n3cccc3)I)O)C(=O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,5O1I,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,9GH:A:402,valid,Kd,=,4,uM,CCN(CC)c1nc2c(c(c(c(c2s1)n3cccc3)I)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5AOL,,,,,,,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,,UFV:A:1293,valid,Kd,=,4800,uM,c1c(cc(c(c1N)N)Br)C(F)(F)F,
,,6GGC,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,EXN:B:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C,
,,,EXN:A:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4ccco4)C[NH2+]C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,5AOI,,,,,,,
,,,RZH:B:1292,valid,Kd,=,940,uM,CCc1cc(cc2c1[nH]c(c2CCN)C)Br,
,,,ZN:B:313,Part of Protein,,,,,[Zn+2],
,,,ZN:A:313,Part of Protein,,,,,[Zn+2],
,,,PEG:B:1291,invalid,,,,,C(COCCO)O,
,,5O1D,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,9GW:A:402,valid,Kd,=,22,uM,CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,9GW:B:404,valid,Kd,=,22,uM,CCCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,4AGP,,,,,,,
,,,P51:A:1292,valid,Kd,=,20.6,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3,
,,,P51:B:1291,valid,Kd,=,20.6,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCOc3ccccc3,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,6SI4,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,LEK:A:402,valid,Kd,=,5.9,uM,CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC,
,,,LEK:B:402,valid,Kd,=,5.9,uM,CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC,
,,3ZME,,,,,,,
,,,QC5:A:1291,valid,,,,,CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F,
,,,QC5:B:1292,valid,,,,,CN(C)CCn1cc(c(n1)n2cccc2)c3ccc(cc3)F,
,,,ZN:A:313,Part of Protein,,,,,[Zn+2],
,,,ZN:B:313,Part of Protein,,,,,[Zn+2],
,,5AOK,,,,,,,
,,,GOL:B:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1291,invalid,,,,,C(C(CO)O)O,
,,,GOH:B:1294,valid,,,,,c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4,
,,,GOH:A:1292,valid,,,,,c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4,
,,,ZN:A:1313,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,,PEG:B:1293,invalid,,,,,C(COCCO)O,
,,5A7B,,,,,,,
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,KMN:A:1001,valid,Kd,=,271,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3,
,,,KMN:B:1001,valid,Kd,=,271,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc3ccccc3,
,,5ABA,,,,,,,
,,,ZN:B:313,Part of Protein,,,,,[Zn+2],
,,,ZN:A:313,Part of Protein,,,,,[Zn+2],
,,,UL7:A:1291,valid,Kd,=,1040,uM,c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl,
,,,UL7:B:1291,valid,Kd,=,1040,uM,c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)Cl,
,,6GGD,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,EYB:B:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C,
,,,EYB:A:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cnoc4)C[NH2+]C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2VUK,,,,,,,
,,,P83:B:1291,valid,Kd,=,125,uM,CCn1c2ccccc2c3c1ccc(c3)CNC,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,4AGQ,,,,,,,
,,,P96:A:1291,valid,Kd,=,9.7,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3,
,,,P96:B:1290,valid,Kd,=,9.7,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3ccccc3,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,5O1E,,,,,,,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,9GT:A:402,valid,Kd,=,33,uM,C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,9GT:B:402,valid,Kd,=,33,uM,C=CCOc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,4AGN,,,,,,,
,,,NXG:A:1294,valid,Kd,=,107,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO,
,,,NXG:B:1292,valid,Kd,=,107,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCO,
,,,ZN:A:1293,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1291,Part of Protein,,,,,[Zn+2],
,,6GGA,,,,,,,
,,,EY2:A:401,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C,
,,,EY2:B:401,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,5O1B,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,9H2:B:402,valid,Kd,=,20,uM,c1ccn(c1)c2c(cc(c(c2I)O)CO)I,
,,,9H2:A:402,valid,Kd,=,20,uM,c1ccn(c1)c2c(cc(c(c2I)O)CO)I,
,,5AOM,,,,,,,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,,FY8:B:1290,valid,Kd,=,1270,uM,c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O,
,,,FY8:A:1292,valid,Kd,=,1270,uM,c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O,
,,,FY8:A:1291,valid,Kd,=,1270,uM,c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O,
,,,FY8:B:1291,valid,Kd,=,1270,uM,c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O,
,,,GOL:A:1293,invalid,,,,,C(C(CO)O)O,
,,2X0U,,,,,,,
,,,X0U:B:1291,valid,,,,,c1c2c(cc3c1OCCO3)sc(n2)N,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,4AGO,,,,,,,
,,,P74:A:1292,valid,Kd,=,15.5,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C,
,,,P74:B:1290,valid,Kd,=,15.5,uM,CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNC(=O)OC(C)(C)C,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,5O1C,,,,,,,
,,,9GZ:A:402,valid,Kd,=,113,uM,c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F,
,,,9GZ:B:402,valid,Kd,=,113,uM,c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,5G4N,,,,,,,
,,,O83:B:1293,valid,Kd,=,101,uM,CNCc1ccc2c(c1)c3ccccc3n2CC(F)F,
,,,O83:A:1294,valid,Kd,=,101,uM,CNCc1ccc2c(c1)c3ccccc3n2CC(F)F,
,,,ZN:A:1293,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1291,Part of Protein,,,,,[Zn+2],
,,,GOL:B:1292,invalid,,,,,C(C(CO)O)O,
,,6GGB,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EPE:B:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EXQ:A:402,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C,
,,,EXQ:B:404,valid,,,,,CCn1c2ccc(cc2c3c1cc(cc3)c4cc(cs4)C)C[NH2+]C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,5O1H,,,,,,,
,,,9GN:A:402,valid,Kd,=,14,uM,CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,9GN:B:402,valid,Kd,=,14,uM,CCCSc1cc(c(c(c1n2cccc2)I)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,4AGL,,,,,,,
,,,P84:A:400,valid,Kd,=,225,uM,CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I,
,,,P84:B:400,valid,Kd,=,225,uM,CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I,
,,,ZN:A:1300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1300,Part of Protein,,,,,[Zn+2],
,,6SI0,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,EPE:B:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,LEK:A:402,valid,Kd,=,5.3,uM,CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC,
,,,LEK:B:402,valid,Kd,=,5.3,uM,CCn1c2ccc(cc2c3c1cc(cc3)c4cscn4)CNC,
,,5G4M,,,,,,,
,,,EDO:B:1293,invalid,,,,,C(CO)O,
,,,ZN:A:1291,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1291,Part of Protein,,,,,[Zn+2],
,,,GOL:B:1292,invalid,,,,,C(C(CO)O)O,
,,,O82:A:1292,valid,Kd,=,138,uM,CNCc1ccc2c(c1)c3ccccc3n2CCF,
,,,O82:B:1294,valid,Kd,=,138,uM,CNCc1ccc2c(c1)c3ccccc3n2CCF,
,Family. Representative Entry is ,2GND,,,,,,,
,,,CA:A:256,Part of Protein,,,,,[Ca+2],
,,,CA:B:254,Part of Protein,,,,,[Ca+2],
,,,MAN:B:253,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:255,Part of Protein,,,,,[Mn+2],
,,,MN:B:255,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2PHT,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,BMA MAN MAN MAN MAN:D:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,1FNZ,,,,,,,
,,,A2G:A:555,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3RWO,,,,,,,
,,,GDP:A:4032,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:4032,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,,MG:B:1176,Part of Protein,,,,,[Mg+2],
,,3RWM,,,,,,,
,,,GNP:B:189,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1Q8S,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:273,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1JLX,,,,,,,
,,,FOR:A:0,invalid,,,,,C=O,
,,,FOR:B:0,invalid,,,,,C=O,
,,,A2G MBN GAL:C:1,valid,ic50,=,1.6,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OCc1ccccc1)C,
,,,A2G MBN GAL:D:1,valid,ic50,=,1.6,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OCc1ccccc1)C,
,Family. Representative Entry is ,5VOP,,,,,,,
,,,FLC:A:3004,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NA:B:3002,Part of Protein,,,,,[Na+],
,,,NA:A:3005,Part of Protein,,,,,[Na+],
,,,C2F:A:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,5VOO,,,,,,,
,,,NA:B:703,Part of Protein,,,,,[Na+],
,,,NA:A:3004,invalid,,,,,[Na+],
,,,NA:A:3002,Part of Protein,,,,,[Na+],
,,,NA:F:3002,Part of Protein,,,,,[Na+],
,,,NA:A:3003,invalid,,,,,[Na+],
,,,NA:D:3002,Part of Protein,,,,,[Na+],
,,,C2F:F:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:702,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:A:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:E:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:C:702,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:D:3001,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,PEG:E:3002,invalid,,,,,C(COCCO)O,
,,,PEG:D:3003,invalid,,,,,C(COCCO)O,
,,,CL:C:701,invalid,,,,,[Cl-],
,,,CL:A:3005,invalid,,,,,[Cl-],
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3D78,,,,,,,
,,,EDO:A:121,invalid,,,,,C(CO)O,
,,,EDO:A:122,invalid,,,,,C(CO)O,
,,,EDO:A:123,invalid,,,,,C(CO)O,
,,,EDO:A:124,invalid,,,,,C(CO)O,
,,,EDO:A:125,invalid,,,,,C(CO)O,
,,,EDO:B:122,invalid,,,,,C(CO)O,
,,,NBB:A:120,valid,Kd,=,23,nM,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:120,valid,Kd,=,23,nM,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:121,valid,Kd,=,23,nM,CCCCNS(=O)(=O)c1ccccc1,
,,3BFB,,,,,,,
,,,9OD:A:121,valid,,,,,CC(=O)CCCCCC=C/C(=O)O,
,,,CL:A:120,invalid,,,,,[Cl-],
,,,GOL:A:122,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:123,invalid,,,,,C(C(CO)O)O,
,,3D74,,,,,,,
,,,NBB:A:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:121,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,3CYZ,,,,,,,
,,,9OD:A:124,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,9OD:B:121,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,9OD:B:122,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,CL:A:120,invalid,,,,,[Cl-],
,,,CL:A:121,invalid,,,,,[Cl-],
,,,CL:A:122,invalid,,,,,[Cl-],
,,,CL:B:120,invalid,,,,,[Cl-],
,,,GOL:B:123,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:124,invalid,,,,,C(C(CO)O)O,
,,,MG:A:123,invalid,,,,,[Mg+2],
,,3D75,,,,,,,
,,,NBB:A:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,3BFH,,,,,,,
,,,CL:A:120,invalid,,,,,[Cl-],
,,,PLM:A:121,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3D76,,,,,,,
,,,EDO:A:122,invalid,,,,,C(CO)O,
,,,EDO:A:123,invalid,,,,,C(CO)O,
,,,EDO:A:124,invalid,,,,,C(CO)O,
,,,EDO:A:125,invalid,,,,,C(CO)O,
,,,EDO:A:126,invalid,,,,,C(CO)O,
,,,EDO:A:127,invalid,,,,,C(CO)O,
,,,NA:A:120,Part of Protein,,,,,[Na+],
,,,NBB:A:121,valid,Kd,=,23,nM,CCCCNS(=O)(=O)c1ccccc1,
,,3BFA,,,,,,,
,,,9OD:A:120,valid,,,,,CC(=O)CCCCCC=C/C(=O)O,
,,,GOL:A:121,invalid,,,,,C(C(CO)O)O,
,,3D77,,,,,,,
,,,EDO:A:122,invalid,,,,,C(CO)O,
,,,EDO:A:123,invalid,,,,,C(CO)O,
,,,EDO:A:124,invalid,,,,,C(CO)O,
,,,EDO:A:125,invalid,,,,,C(CO)O,
,,,EDO:A:126,invalid,,,,,C(CO)O,
,,,EDO:A:127,invalid,,,,,C(CO)O,
,,,NA:A:120,Part of Protein,,,,,[Na+],
,,,NBB:A:121,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,3BJH,,,,,,,
,,,GOL:A:121,invalid,,,,,C(C(CO)O)O,
,,,NBB:A:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,3CZ0,,,,,,,
,,,9OD:A:124,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,9OD:B:121,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,9OD:B:122,valid,Kd,=,60,nM,CC(=O)CCCCCC=C/C(=O)O,
,,,CL:A:120,invalid,,,,,[Cl-],
,,,CL:A:121,invalid,,,,,[Cl-],
,,,CL:A:122,invalid,,,,,[Cl-],
,,,CL:B:120,invalid,,,,,[Cl-],
,,,GOL:B:123,invalid,,,,,C(C(CO)O)O,
,,,MG:A:123,invalid,,,,,[Mg+2],
,,3CZ1,,,,,,,
,,,CL:A:121,invalid,,,,,[Cl-],
,,,CL:B:120,invalid,,,,,[Cl-],
,,,CL:B:121,invalid,,,,,[Cl-],
,,,GOL:A:123,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:124,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:125,invalid,,,,,C(C(CO)O)O,
,,,MG:A:120,invalid,,,,,[Mg+2],
,,,NBB:A:122,valid,Kd,=,55,nM,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:122,valid,Kd,=,55,nM,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:123,valid,Kd,=,55,nM,CCCCNS(=O)(=O)c1ccccc1,
,,3D73,,,,,,,
,,,NBB:A:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:120,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,,,NBB:B:121,valid,,,,,CCCCNS(=O)(=O)c1ccccc1,
,Family. Representative Entry is ,5KDO,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1TLG,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,GAL:A:126,valid,Kd,=,0.44,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:126,valid,Kd,=,0.44,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2VGQ,,,,,,,
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,4YKI,,,,,,,
,,,GLY:A:301,valid,Kd,=,2.7,nM,C(C(=O)O)N,
,,,GLY:B:301,valid,Kd,=,2.7,nM,C(C(=O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YKK,,,,,,,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,GLY:A:303,valid,,,,,C(C(=O)O)N,
,,,DSN:B:301,valid,Ki,=,1.7,mM,C([C@H](C(=O)O)N)O,
,,,DSN:A:302,valid,Ki,=,1.7,mM,C([C@H](C(=O)O)N)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,5CMC,,,,,,,
,,,GLY:A:301,valid,Kd,=,2.48,uM,C(C(=O)O)N,
,,,GLY:B:301,valid,Kd,=,2.48,uM,C(C(=O)O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CMB,,,,,,,
,,,GLY:A:301,valid,Kd,=,28.3,nM,C(C(=O)O)N,
,,,GLY:B:301,valid,Kd,=,28.3,nM,C(C(=O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YKJ,,,,,,,
,,,GLY:B:302,valid,,,,,C(C(=O)O)N,
,,,GLY:A:302,valid,,,,,C(C(=O)O)N,
,,,ALA:A:301,valid,Ki,=,37,uM,C[C@@H](C(=O)O)N,
,,,ALA:B:301,valid,Ki,=,37,uM,C[C@@H](C(=O)O)N,
,,4YKP,,,,,,,
,,,SER:B:302,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:A:302,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,GLY:A:301,valid,,,,,C(C(=O)O)N,
,,,GLY:B:301,valid,,,,,C(C(=O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6E5F,,,,,,,
,,,L6T:A:301,valid,,,,,CCCCCCCCCCCCOC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O,
,,6MNA,,,,,,,
,,,U2D GLC:B:1,valid,,,,,O(C(O)CCCCCCCCC)CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1,
,Family. Representative Entry is ,4INW,,,,,,,
,,,1EY:A:201,valid,,,,,CC/C=CC=C/CCCCCCCCCC=O,
,,4INX,,,,,,,
,,,1EX:A:201,valid,,,,,CC/C=CC=C/CCCCCCCCCCO,
,Family. Representative Entry is ,1XXR,,,,,,,
,,,ACY:A:1426,invalid,,,,,CC(=O)O,
,,,ACY:C:1424,invalid,,,,,CC(=O)O,
,,,ACY:D:1425,invalid,,,,,CC(=O)O,
,,,GOL:A:1371,invalid,,,,,C(C(CO)O)O,
,,,MAN:B:725,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:726,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:727,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:B:3018,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3AL3,,,,,,,
,,,FMT:A:1,invalid,,,,,C(=O)O,
,,,SER ILE TYR PHE TPO PRO GLU LEU TYR ASP:B:1129,valid,Kd,=,2.1,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(CC)C)Cc1ccc(O)cc1)Cc1ccccc1)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])Cc2ccc(O)cc2)CC(C)C)CCC(=O)[O-])CCC1)C)([O-])[O-],
,Family. Representative Entry is ,2AR6,,,,,,,
,,,CA:A:363,Part of Protein,,,,,[Ca+2],
,,,CA:B:364,Part of Protein,,,,,[Ca+2],
,,,MN:A:361,Part of Protein,,,,,[Mn+2],
,,,MN:B:362,Part of Protein,,,,,[Mn+2],
,,,MAN MAN MAN NAG NAG:D:1,valid,Ka,=,63000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,,,MAN NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,1S1A,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:273,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2ARB,,,,,,,
,,,CA:A:263,Part of Protein,,,,,[Ca+2],
,,,CA:B:264,Part of Protein,,,,,[Ca+2],
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:262,Part of Protein,,,,,[Mn+2],
,,,MAN NAG:C:1,valid,Ka,=,26000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:D:1,valid,Ka,=,26000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,1N3Q,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:273,Part of Protein,,,,,[Mn+2],
,,,FRU GLC:C:1,valid,,,,,O(C1C(O)(CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BDF GLC:D:1,valid,,,,,O(C1C(O)(CO)OCC(O)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1N3O,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,GYP:A:1001,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:B:1101,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:273,Part of Protein,,,,,[Mn+2],
,,1N3P,,,,,,,
,,,CA:A:272,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:273,Part of Protein,,,,,[Mn+2],
,,2ARX,,,,,,,
,,,CA:A:253,Part of Protein,,,,,[Ca+2],
,,,CA:B:254,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:903,Part of Protein,,,,,[Mn+2],
,,,MN:B:919,Part of Protein,,,,,[Mn+2],
,,,NAG:B:918,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG BMA MAN MAN NAG GAL NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(COC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C1O)C,
,,2ARE,,,,,,,
,,,CA:A:283,Part of Protein,,,,,[Ca+2],
,,,CA:B:284,Part of Protein,,,,,[Ca+2],
,,,MAN:A:253,valid,Ka,=,1900,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:253,valid,Ka,=,1900,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:281,Part of Protein,,,,,[Mn+2],
,,,MN:B:282,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2WR1,,,,,,,
,,,NAG:A:1499,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA BMA:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,2WR4,,,,,,,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,2WR2,,,,,,,
,,,NAG:A:1499,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1500,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,2WR3,,,,,,,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,2WR7,,,,,,,
,,,GAL NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,1Q8Q,,,,,,,
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,CA:B:1262,Part of Protein,,,,,[Ca+2],
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:261,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6RFZ,,,,,,,
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,BGC:A:410,valid,Kd,=,3.56,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:408,valid,Kd,=,3.56,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:406,valid,Kd,=,3.56,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:403,valid,Kd,=,3.56,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,6RG2,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:B:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:409,invalid,,,,,CC(=O)[O-],
,,,3MG:B:407,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:410,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:408,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:401,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:405,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:411,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:411,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:407,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:412,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:412,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:404,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:402,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:B:404,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,3MG:A:403,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,ZB1:A:405,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O,
,,,ZB1:A:409,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O,
,,,ZB1:B:406,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O,
,,,ZB1:B:403,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O,
,,,ZB1:B:401,valid,Kd,=,11.2,mM,CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O,
,,6RGG,,,,,,,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,K3Q:A:401,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,K3Q:B:401,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,K3Q:B:405,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,K3Q:A:402,valid,,,,,COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,K3Q 7CV:A:403,valid,,,,,O(CC1C(O)C(OC)C(O)C(OC2C(OC)C(OC)C(O)OC2C)O1)C,
,,,K3Q 7CV:B:402,valid,,,,,O(CC1C(O)C(OC)C(O)C(OC2C(OC)C(OC)C(O)OC2C)O1)C,
,,6RG1,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:A:412,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,NA:A:411,Part of Protein,,,,,[Na+],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,RM4:A:407,valid,ic50,=,332,mM,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,6PFO,,,,,,,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:B:204,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:203,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6A80,,,,,,,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:321,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:322,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,CYS:A:320,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,CYS:B:310,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,CYS:B:311,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,CYS:A:319,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,TRS:A:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,6A8S,,,,,,,
,,,CYS:B:316,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,CYS:A:315,valid,Kd,=,0.000000064,M,C([C@@H](C(=O)O)N)S,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:314,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:315,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6AA1,,,,,,,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:319,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:A:319,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:325,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:320,invalid,,,,,C(CO)O,
,,,EDO:B:316,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:314,invalid,,,,,C(CO)O,
,,,EDO:B:315,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,CIT:B:317,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:321,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:B:321,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6MHF,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1YRB,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,2OXR,,,,,,,
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,1YRA,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1YR8,,,,,,,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1W8H,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:C:205,Part of Protein,,,,,[Ca+2],
,,,CA:C:206,Part of Protein,,,,,[Ca+2],
,,,CA:D:207,Part of Protein,,,,,[Ca+2],
,,,CA:D:208,Part of Protein,,,,,[Ca+2],
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:616,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDG GAL FUC:H:1,valid,Ka,=,47000000000,M^-1,,
,,,NDG GAL FUC:G:1,valid,Ka,=,47000000000,M^-1,,
,,,NDG GAL FUC:F:1,valid,Ka,=,47000000000,M^-1,,
,,,NDG GAL FUC:E:1,valid,Ka,=,47000000000,M^-1,,
,,,NAG GAL FUC:E:1,valid,Ka,=,47000000000,M^-1,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,Ka,=,47000000000,M^-1,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:F:1,valid,Ka,=,47000000000,M^-1,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:H:1,valid,Ka,=,47000000000,M^-1,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,2JDH,,,,,,,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1118,Part of Protein,,,,,[Ca+2],
,,,CA:B:1119,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1118,Part of Protein,,,,,[Ca+2],
,,,CA:D:1119,Part of Protein,,,,,[Ca+2],
,,,FUC:A:1115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,SO4:C:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG TA5 FUC:E:1,valid,Kd,=,310,nM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(CO)c1)C,
,,,NAG TA5 FUC:G:1,valid,Kd,=,310,nM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(CO)c1)C,
,,,NAG TA5 FUC:F:1,valid,Kd,=,310,nM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(CO)c1)C,
,,5A3O,,,,,,,
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:199,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:199,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:C:199,Part of Protein,,,,,[Ca+2],
,,,CA:A:199,Part of Protein,,,,,[Ca+2],
,,,MMA DH6:D:201,valid,Kd,=,18.5,uM,O=C(NCC1C(O)C(O)C(O)C(OC)O1)C=Cc1ccccc1,
,,,MMA DH6:B:201,valid,Kd,=,18.5,uM,O=C(NCC1C(O)C(O)C(O)C(OC)O1)C=Cc1ccccc1,
,,,MMA DH6:A:201,valid,Kd,=,18.5,uM,O=C(NCC1C(O)C(O)C(O)C(OC)O1)C=Cc1ccccc1,
,,,MMA DH6:C:201,valid,Kd,=,18.5,uM,O=C(NCC1C(O)C(O)C(O)C(OC)O1)C=Cc1ccccc1,
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,1OXC,,,,,,,
,,,CA:A:116,Part of Protein,,,,,[Ca+2],
,,,CA:A:117,Part of Protein,,,,,[Ca+2],
,,,CA:B:116,Part of Protein,,,,,[Ca+2],
,,,CA:B:117,Part of Protein,,,,,[Ca+2],
,,,CA:C:116,Part of Protein,,,,,[Ca+2],
,,,CA:C:117,Part of Protein,,,,,[Ca+2],
,,,CA:D:116,Part of Protein,,,,,[Ca+2],
,,,CA:D:117,Part of Protein,,,,,[Ca+2],
,,,FUC:A:1115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:1115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:D:115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,SO4:A:118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZDV,,,,,,,
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:199,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:C:199,Part of Protein,,,,,[Ca+2],
,,,CA:B:199,Part of Protein,,,,,[Ca+2],
,,,CA:D:199,Part of Protein,,,,,[Ca+2],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MMA F1A:D:201,valid,Kd,=,3.3,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(OC)O1)c1c(C)cc(C)cc1C,
,,,MMA F1A:A:201,valid,Kd,=,3.3,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(OC)O1)c1c(C)cc(C)cc1C,
,,,MMA F1A:C:201,valid,Kd,=,3.3,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(OC)O1)c1c(C)cc(C)cc1C,
,,,MMA F1A:B:201,valid,Kd,=,3.3,uM,S(=O)(=O)(NCC1C(O)C(O)C(O)C(OC)O1)c1c(C)cc(C)cc1C,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:1115,invalid,,,,,C(CO)O,
,,2JDP,,,,,,,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1116,Part of Protein,,,,,[Ca+2],
,,,CA:B:1117,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1117,Part of Protein,,,,,[Ca+2],
,,,MFU:A:1115,valid,Kd,=,0.25,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:1115,valid,Kd,=,0.25,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:1115,valid,Kd,=,0.25,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:1115,valid,Kd,=,0.25,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,1UZV,,,,,,,
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:A:998,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:998,Part of Protein,,,,,[Ca+2],
,,,CA:C:997,Part of Protein,,,,,[Ca+2],
,,,CA:C:998,Part of Protein,,,,,[Ca+2],
,,,CA:D:997,Part of Protein,,,,,[Ca+2],
,,,CA:D:998,Part of Protein,,,,,[Ca+2],
,,,FUC:A:999,valid,Kd,=,0.6667,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:999,valid,Kd,=,0.6667,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:999,valid,Kd,=,0.6667,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:999,valid,Kd,=,0.6667,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,SO4:A:990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:991,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BP6,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:C:805,Part of Protein,,,,,[Ca+2],
,,,CA:C:806,Part of Protein,,,,,[Ca+2],
,,,CA:D:807,Part of Protein,,,,,[Ca+2],
,,,CA:D:808,Part of Protein,,,,,[Ca+2],
,,,GXL:A:501,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:B:502,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:C:503,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:D:504,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:991,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6R35,,,,,,,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:208,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:208,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG FUC GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,2JDY,,,,,,,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1116,Part of Protein,,,,,[Ca+2],
,,,CA:B:1117,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1117,Part of Protein,,,,,[Ca+2],
,,,MMA:A:1115,valid,Kd,=,42.9,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:1115,valid,Kd,=,42.9,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:1115,valid,Kd,=,42.9,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:1115,valid,Kd,=,42.9,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,3DCQ,,,,,,,
,,,2G0:A:201,valid,ic50,=,5.94,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O,
,,,2G0:B:201,valid,ic50,=,5.94,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O,
,,,2G0:C:201,valid,ic50,=,5.94,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O,
,,,2G0:D:201,valid,ic50,=,5.94,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N)O)O)O,
,,,CA:A:115,Part of Protein,,,,,[Ca+2],
,,,CA:A:116,Part of Protein,,,,,[Ca+2],
,,,CA:B:115,Part of Protein,,,,,[Ca+2],
,,,CA:B:116,Part of Protein,,,,,[Ca+2],
,,,CA:C:115,Part of Protein,,,,,[Ca+2],
,,,CA:C:116,Part of Protein,,,,,[Ca+2],
,,,CA:D:115,Part of Protein,,,,,[Ca+2],
,,,CA:D:116,Part of Protein,,,,,[Ca+2],
,,1W8F,,,,,,,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1116,Part of Protein,,,,,[Ca+2],
,,,CA:B:1117,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1117,Part of Protein,,,,,[Ca+2],
,,,GOL:B:1123,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1123,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC FUC GAL NAG:E:1,valid,Ka,=,15600000000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL:G:1,valid,Ka,=,15600000000,M^-1,O(C1C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC(O)C1O)C1C(O)C(O)C(O)C(C)O1,
,,,BGC FUC GAL NAG GAL:H:1,valid,Ka,=,15600000000,M^-1,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL NAG GAL:F:1,valid,Ka,=,15600000000,M^-1,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,1OUR,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MAN:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,2JDK,,,,,,,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1118,Part of Protein,,,,,[Ca+2],
,,,CA:B:1119,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1118,Part of Protein,,,,,[Ca+2],
,,,CA:D:1119,Part of Protein,,,,,[Ca+2],
,,,FUC:A:1115,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,SO4:C:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG T45 FUC:E:1,valid,Kd,=,0.000000064,M,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(C(=O)OC)c1)C,
,,,NAG T45 FUC:G:1,valid,Kd,=,0.000000064,M,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(C(=O)OC)c1)C,
,,,NAG T45 FUC:F:1,valid,Kd,=,0.000000064,M,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1n1nnc(C(=O)OC)c1)C,
,,2VUC,,,,,,,
,,,CA:A:990,Part of Protein,,,,,[Ca+2],
,,,CA:A:991,Part of Protein,,,,,[Ca+2],
,,,CA:B:990,Part of Protein,,,,,[Ca+2],
,,,CA:B:991,Part of Protein,,,,,[Ca+2],
,,,CA:C:990,Part of Protein,,,,,[Ca+2],
,,,CA:C:991,Part of Protein,,,,,[Ca+2],
,,,CA:D:990,Part of Protein,,,,,[Ca+2],
,,,CA:D:991,Part of Protein,,,,,[Ca+2],
,,,FUC:A:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,SO4:A:998,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:970,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YX0:B:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)O)/NO2)O)O)O,
,,,YX0:C:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)O)/NO2)O)O)O,
,,,YX0:D:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCC2=C/C(=C(/C)O)/NO2)O)O)O,
,,6S5P,,,,,,,
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,LYS ALA ALA LYS ALA CYS NH2 ZDC:E:304,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CC)C)C)CCCC[NH3+])C)C(=O)[NH3+],
,,,LYS ALA ALA LYS ALA CYS NH2 ZDC:H:2,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CC)C)C)CCCC[NH3+])C)C(=O)[NH3+],
,,,LYS ALA ALA LYS ALA CYS NH2 ZDC:F:304,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CC)C)C)CCCC[NH3+])C)C(=O)[NH3+],
,,,ZDC:C:303,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O,
,,2BOJ,,,,,,,
,,,ARW:A:1115,valid,Kd,=,1.7,uM,CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O,
,,,ARW:B:1115,valid,Kd,=,1.7,uM,CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O,
,,,ARW:C:1115,valid,Kd,=,1.7,uM,CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O,
,,,ARW:D:1115,valid,Kd,=,1.7,uM,CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O,
,,,CA:A:1116,Part of Protein,,,,,[Ca+2],
,,,CA:A:1117,Part of Protein,,,,,[Ca+2],
,,,CA:B:1116,Part of Protein,,,,,[Ca+2],
,,,CA:B:1117,Part of Protein,,,,,[Ca+2],
,,,CA:C:1116,Part of Protein,,,,,[Ca+2],
,,,CA:C:1117,Part of Protein,,,,,[Ca+2],
,,,CA:D:1116,Part of Protein,,,,,[Ca+2],
,,,CA:D:1117,Part of Protein,,,,,[Ca+2],
,,,SO4:C:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OVP,,,,,,,
,,,BDF:A:115,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,CA:A:116,Part of Protein,,,,,[Ca+2],
,,,CA:A:117,Part of Protein,,,,,[Ca+2],
,,1GZT,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,FUC:A:201,valid,ic50,=,0.25,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:201,valid,ic50,=,0.25,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:201,valid,ic50,=,0.25,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:201,valid,ic50,=,0.25,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,2JDN,,,,,,,
,,,CA:A:881,Part of Protein,,,,,[Ca+2],
,,,CA:A:882,Part of Protein,,,,,[Ca+2],
,,,CA:B:881,Part of Protein,,,,,[Ca+2],
,,,CA:B:882,Part of Protein,,,,,[Ca+2],
,,,CA:C:881,Part of Protein,,,,,[Ca+2],
,,,CA:C:882,Part of Protein,,,,,[Ca+2],
,,,CA:D:881,Part of Protein,,,,,[Ca+2],
,,,CA:D:882,Part of Protein,,,,,[Ca+2],
,,,FUC:A:999,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,MMA:B:700,valid,Kd,=,2.78,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:700,valid,Kd,=,2.78,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:700,valid,Kd,=,2.78,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:991,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:991,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6JYX,,,,,,,
,,,CHT:B:407,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:406,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:401,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:402,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:403,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:405,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:404,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:404,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:403,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:406,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:402,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:405,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:401,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:407,valid,,,,,C[N+](C)(C)CCO,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2Y9G,,,,,,,
,,,GOL:A:1154,invalid,,,,,C(C(CO)O)O,
,,,GLC GAL:D:1,valid,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5KHD,,,,,,,
,,,C2E:A:201,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:R:201,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:202,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:R:202,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,5TZD,,,,,,,
,,,C2E:J:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:J:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,5TZG,,,,,,,
,,,ZN:C:201,invalid,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,C2E:C:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,5TZF,,,,,,,
,,,C2E:M:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:I:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:H:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:M:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3ZW2,,,,,,,
,,,GAL FUC:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(C)O1)C1C(O)C(O)C(CO)OC1,
,,,GLA NAG GAL FUC:H:1,valid,Kd,=,26.1,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,NAG GAL FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:I:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,3ZWE,,,,,,,
,,,FUC:A:110,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:110,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:110,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GAL FUC:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(C)O1)C1C(O)C(O)C(CO)OC1,
,,,BGC GAL FUC GLA:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC GAL FUC GLA:F:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,3ZZV,,,,,,,
,,,FUC:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG GAL FUC:H:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,2XN5,,,,,,,
,,,CA:A:1357,Part of Protein,,,,,[Ca+2],
,,,CA:A:1358,Part of Protein,,,,,[Ca+2],
,,,CA:A:1362,Part of Protein,,,,,[Ca+2],
,,,CA:A:1364,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1359,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1361,invalid,,,,,C(CO)O,
,,,EDO:A:1363,invalid,,,,,C(CO)O,
,,,FUN:A:1356,valid,Kd,=,123,nM,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,
,,2XN6,,,,,,,
,,,CA:A:1356,Part of Protein,,,,,[Ca+2],
,,,CA:A:1359,Part of Protein,,,,,[Ca+2],
,,,CA:A:1362,Part of Protein,,,,,[Ca+2],
,,,CA:A:1365,Part of Protein,,,,,[Ca+2],
,,,CA:A:1366,Part of Protein,,,,,[Ca+2],
,,,CA:A:1367,Part of Protein,,,,,[Ca+2],
,,,CA:A:1368,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:A:1358,invalid,,,,,C(CO)O,
,,,EDO:A:1360,invalid,,,,,C(CO)O,
,,,EDO:A:1361,invalid,,,,,C(CO)O,
,,,EDO:A:1363,invalid,,,,,C(CO)O,
,,,EDO:A:1364,invalid,,,,,C(CO)O,
,,,EDO:B:1396,invalid,,,,,C(CO)O,
,,,F6Y T44:A:1369,valid,,,,,,
,,2XN7,,,,,,,
,,,CA:A:1358,invalid,,,,,[Ca+2],
,,,EDO:A:1357,invalid,,,,,C(CO)O,
,,,EDO:B:1396,invalid,,,,,C(CO)O,
,,,T44 F6Z:A:1355,valid,,,,,,
,Family. Representative Entry is ,5UWA,,,,,,,
,,,8ND:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC,
,,,8ND:B:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COCCN)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,2B3B,,,,,,,
,,,BGC:C:2607,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:2608,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:2605,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:2606,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:E:2609,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:F:2610,valid,Kd,=,0.08,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,2B3F,,,,,,,
,,,GAL:A:3310,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:3311,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:3312,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:3313,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:3314,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:3315,valid,Kd,=,0.94,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5HZ9,,,,,,,
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5M8:B:205,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:G:205,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:G:206,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:A:205,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:C:203,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:A:206,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:B:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:G:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:E:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:C:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:E:205,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:G:207,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:H:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:A:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:F:204,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:H:203,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,5M8:D:203,valid,Ki,=,0.093,uM,Cc1c(c(c2cc(ccc2n1)Cl)c3ccccc3)C(=O)O,
,,,CL:G:203,invalid,,,,,[Cl-],
,,,CL:H:202,invalid,,,,,[Cl-],
,,4TKB,,,,,,,
,,,P6G:A:201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DAO:A:200,valid,,,,,CCCCCCCCCCCC(=O)O,
,,4TJZ,,,,,,,
,,,P6G:A:201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,DKA:A:200,valid,,,,,CCCCCCCCCC(=O)O,
,,1HMT,,,,,,,
,,,STE:A:133,valid,Kd,=,1.64,uM,CCCCCCCCCCCCCCCCCC(=O)O,
,,4TKJ,,,,,,,
,,,GLP:A:204,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4WBK,,,,,,,
,,,STE:A:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,3WVM,,,,,,,
,,,STE:A:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,P6G:A:201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,4TKH,,,,,,,
,,,P6G:A:201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,MYR:A:200,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1HMR,,,,,,,
,,,ELA:A:133,valid,Kd,=,0.28,uM,CCCCCCCCC=CCCCCCCCC(=O)O,
,,1HMS,,,,,,,
,,,OLA:A:133,valid,Kd,=,0.43,uM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,2HMB,,,,,,,
,,,PLM:A:133,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4QAC,,,,,,,
,,,NAG:H:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,KK3:E:302,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:H:303,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:I:304,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:F:304,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:G:302,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:D:304,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:B:303,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:C:301,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:A:304,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,,KK3:J:302,valid,Kd,=,0.0004,uM,CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F,
,,1UW6,,,,,,,
,,,NCT:A:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:B:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:C:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:D:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:E:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:F:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:G:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:H:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:I:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:J:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:K:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:L:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:M:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:N:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:O:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:P:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:Q:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:R:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:S:1206,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,,NCT:T:1208,valid,Kd,=,45.2,nM,C[N@@]1CCC[C@H]1c2cccnc2,
,,3WTM,,,,,,,
,,,N1Y:D:301,valid,Kd,=,0.1,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:A:301,valid,Kd,=,0.1,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:B:301,valid,Kd,=,0.1,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:C:301,valid,Kd,=,0.1,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:E:301,valid,Kd,=,0.1,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,5J5G,,,,,,,
,,,6GF:F:303,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:I:302,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:A:304,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:E:304,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:J:304,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:C:305,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:E:303,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:H:304,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:C:304,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,6GF:F:302,valid,Kd,=,0.03,uM,COc1ccc(cc1)c2cc(nc(n2)N)N(Cc3ccccn3)Cc4ccccn4,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3WTN,,,,,,,
,,,CD:C:302,invalid,,,,,[Cd+2],
,,,CD:A:308,invalid,,,,,[Cd+2],
,,,CD:E:307,invalid,,,,,[Cd+2],
,,,CD:F:305,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:G:305,invalid,,,,,[Cd+2],
,,,CD:H:303,invalid,,,,,[Cd+2],
,,,CD:G:303,invalid,,,,,[Cd+2],
,,,CD:E:305,invalid,,,,,[Cd+2],
,,,CD:B:308,invalid,,,,,[Cd+2],
,,,CD:C:308,invalid,,,,,[Cd+2],
,,,CD:D:304,invalid,,,,,[Cd+2],
,,,CD:D:305,invalid,,,,,[Cd+2],
,,,CD:E:306,invalid,,,,,[Cd+2],
,,,CD:F:304,invalid,,,,,[Cd+2],
,,,CD:C:304,invalid,,,,,[Cd+2],
,,,CD:G:304,invalid,,,,,[Cd+2],
,,,CD:H:302,invalid,,,,,[Cd+2],
,,,CD:I:302,invalid,,,,,[Cd+2],
,,,CD:D:306,invalid,,,,,[Cd+2],
,,,CD:E:302,invalid,,,,,[Cd+2],
,,,CD:E:304,invalid,,,,,[Cd+2],
,,,CD:A:305,invalid,,,,,[Cd+2],
,,,CD:A:306,invalid,,,,,[Cd+2],
,,,CD:I:306,invalid,,,,,[Cd+2],
,,,CD:D:307,invalid,,,,,[Cd+2],
,,,CD:I:305,invalid,,,,,[Cd+2],
,,,CD:G:302,invalid,,,,,[Cd+2],
,,,CD:C:306,invalid,,,,,[Cd+2],
,,,CD:B:307,invalid,,,,,[Cd+2],
,,,CD:J:302,invalid,,,,,[Cd+2],
,,,CD:B:304,invalid,,,,,[Cd+2],
,,,CD:D:308,invalid,,,,,[Cd+2],
,,,CD:F:303,invalid,,,,,[Cd+2],
,,,CD:A:309,invalid,,,,,[Cd+2],
,,,CD:D:303,invalid,,,,,[Cd+2],
,,,CD:G:306,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:F:302,invalid,,,,,[Cd+2],
,,,CD:A:304,invalid,,,,,[Cd+2],
,,,CD:E:303,invalid,,,,,[Cd+2],
,,,CD:I:303,invalid,,,,,[Cd+2],
,,,CD:I:304,invalid,,,,,[Cd+2],
,,,CD:C:307,invalid,,,,,[Cd+2],
,,,CD:I:307,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:D:302,invalid,,,,,[Cd+2],
,,,CD:J:303,invalid,,,,,[Cd+2],
,,,CD:B:305,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:C:303,invalid,,,,,[Cd+2],
,,,CD:B:306,invalid,,,,,[Cd+2],
,,,CD:C:305,invalid,,,,,[Cd+2],
,,,CD:A:307,invalid,,,,,[Cd+2],
,,,N2Y:A:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:C:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:G:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:J:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:D:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:H:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:B:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:F:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:E:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:I:301,valid,Kd,=,0.091,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,NA:C:309,Part of Protein,,,,,[Na+],
,,,NA:B:309,Part of Protein,,,,,[Na+],
,,4ALX,,,,,,,
,,,1PE:A:1211,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,IZN:A:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:B:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:C:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:D:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:E:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:F:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:G:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:H:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:I:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,IZN:J:400,valid,Ki,=,52,nM,CO[C@H]1CC=C2CCN3[C@]2(C1)C4=C(CC3)COC(=O)C4,
,,,MG:B:1207,Part of Protein,,,,,[Mg+2],
,,,MG:D:1205,Part of Protein,,,,,[Mg+2],
,,,MG:D:1206,Part of Protein,,,,,[Mg+2],
,,,MG:F:1207,Part of Protein,,,,,[Mg+2],
,,,MG:F:1208,Part of Protein,,,,,[Mg+2],
,,,MG:J:1207,Part of Protein,,,,,[Mg+2],
,,1UV6,,,,,,,
,,,CCE:C:1206,valid,Kd,=,7575,nM,C[N+](C)(C)CCOC(=O)N,
,,,CCE:D:1206,valid,Kd,=,7575,nM,C[N+](C)(C)CCOC(=O)N,
,,,CCE:J:1206,valid,Kd,=,7575,nM,C[N+](C)(C)CCOC(=O)N,
,,3ZDG,,,,,,,
,,,SO4:A:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:M:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:P:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:O:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XRX:M:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:N:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:K:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:O:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:E:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:L:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:C:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:F:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:A:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:H:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:R:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:T:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:J:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:Q:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:S:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:P:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:B:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:G:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:D:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,XRX:I:301,valid,Ki,=,0.079,uM,C[C@H](CCOC(=O)N(C)C)N(C)C,
,,,1PE:R:501,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:M:501,invalid,,,,,C(COCCO)O,
,,5J5I,,,,,,,
,,,PO4:H:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,6GM:I:303,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:E:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:I:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:F:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:A:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:B:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:G:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:A:303,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:C:302,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,6GM:F:303,valid,Kd,=,0.13,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccc(cc4)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5J5F,,,,,,,
,,,NAG:C:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:304,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,6GH:I:304,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:E:302,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:C:303,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:A:303,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:H:304,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:D:303,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:J:302,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:G:302,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:F:305,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,6GH:B:305,valid,Kd,=,0.33,uM,c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4,
,,,DMS:H:305,invalid,,,,,CS(=O)C,
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:304,invalid,,,,,C(C(CO)O)O,
,,3ZDH,,,,,,,
,,,XRS:G:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:F:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:B:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:H:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:E:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:D:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:A:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:C:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:I:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,XRS:J:301,valid,Ki,=,0.045,uM,C[C@H](CCOc1nccn1C)N(C)C,
,,,SO4:E:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3WTL,,,,,,,
,,,N1Y:D:301,valid,Kd,=,0.092,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:A:301,valid,Kd,=,0.092,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:B:301,valid,Kd,=,0.092,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:C:301,valid,Kd,=,0.092,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,,N1Y:E:301,valid,Kd,=,0.092,uM,c1cc(ncc1CN2CCN/C2=C[N+](=O)[O-])Cl,
,,3WTO,,,,,,,
,,,N2Y:D:301,valid,Kd,=,0.119,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:A:301,valid,Kd,=,0.119,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:C:301,valid,Kd,=,0.119,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:E:301,valid,Kd,=,0.119,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,,N2Y:B:301,valid,Kd,=,0.119,uM,[H]/N=C1/NCCN1Cc2ccc(nc2)Cl,
,,3WTJ,,,,,,,
,,,TH4:D:301,valid,Kd,=,0.297,uM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:E:301,valid,Kd,=,0.297,uM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:B:301,valid,Kd,=,0.297,uM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:C:301,valid,Kd,=,0.297,uM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,,,TH4:A:301,valid,Kd,=,0.297,uM,c1cc(ncc1CN2CCS/C2=NC#N)Cl,
,Family. Representative Entry is ,3O9P,,,,,,,
,,,MHI:A:516,valid,Kd,=,0.3,uM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N,
,,,ZN:A:517,Part of Protein,,,,,[Zn+2],
,,,ZN:A:518,Part of Protein,,,,,[Zn+2],
,,,ZN:A:519,Part of Protein,,,,,[Zn+2],
,,,ZN:A:520,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3T2W,,,,,,,
,,,BTN:A:600,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,3SZJ,,,,,,,
,,,ACY:B:123,invalid,,,,,CC(=O)O,
,,,ACY:B:124,invalid,,,,,CC(=O)O,
,,,BTN:A:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,CO3:A:124,invalid,,,,,C(=O)([O-])[O-],
,,,GOL:A:123,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1ZHX,,,,,,,
,,,HC3:A:1001,valid,Kd,=,55,nM,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,1ZHW,,,,,,,
,,,HC2:A:1001,valid,,,,,CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,
,,,PB:A:2001,invalid,,,,,[Pb+2],
,,1ZHY,,,,,,,
,,,CLR:A:1001,valid,Kd,=,300,nM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PB:A:2001,invalid,,,,,[Pb+2],
,,,PB:A:2002,invalid,,,,,[Pb+2],
,,1ZHT,,,,,,,
,,,HCR:A:1001,valid,,,,,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C,
,,4F4B,,,,,,,
,,,L39:B:1001,valid,,,,,C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI,
,,,L39:A:1001,valid,,,,,C[C@H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CI,
,,4FES,,,,,,,
,,,0T9:B:501,valid,,,,,CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,0T9:A:501,valid,,,,,CC[C@H](C)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,1ZHZ,,,,,,,
,,,ERG:A:1001,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,PB:A:2001,invalid,,,,,[Pb+2],
,,,PB:A:2002,invalid,,,,,[Pb+2],
,Family. Representative Entry is ,3QDT,,,,,,,
,,,A2G GAL:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,4KQR,,,,,,,
,,,IMD:B:609,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:609,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:610,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:B:604,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,VPP:B:601,valid,ic50,=,126,uM,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,,VPP:A:601,valid,ic50,=,126,uM,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,4KQQ,,,,,,,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,VPP:B:601,valid,ic50,=,126,uM,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,,VPP:A:601,valid,ic50,=,126,uM,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccccc2)C(=O)N[C@@H]([C@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,,IMD:A:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3STK,,,,,,,
,,,PLM:A:130,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:131,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG3,,,,,,,
,,,CD:A:130,invalid,,,,,[Cd+2],
,,,CD:A:131,invalid,,,,,[Cd+2],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3B2H,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,IOD:A:135,invalid,,,,,[I-],
,,,IOD:A:136,invalid,,,,,[I-],
,,,IOD:A:137,invalid,,,,,[I-],
,,,IOD:A:138,invalid,,,,,[I-],
,,,IOD:A:139,invalid,,,,,[I-],
,,,IOD:A:140,invalid,,,,,[I-],
,,,IOD:A:141,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3B2K,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG6,,,,,,,
,,,BA:A:130,Part of Protein,,,,,[Ba+2],
,,,BA:A:131,Part of Protein,,,,,[Ba+2],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,IOD:A:135,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG5,,,,,,,
,,,BA:A:130,Part of Protein,,,,,[Ba+2],
,,,BA:A:131,Part of Protein,,,,,[Ba+2],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG7,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3STM,,,,,,,
,,,PLM:X:130,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG2,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3B2I,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,IOD:A:135,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3B2L,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3B2J,,,,,,,
,,,IOD:A:130,invalid,,,,,[I-],
,,,IOD:A:131,invalid,,,,,[I-],
,,,IOD:A:132,invalid,,,,,[I-],
,,,IOD:A:133,invalid,,,,,[I-],
,,,IOD:A:134,invalid,,,,,[I-],
,,,IOD:A:135,invalid,,,,,[I-],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3VG4,,,,,,,
,,,CD:A:130,invalid,,,,,[Cd+2],
,,,CD:A:131,invalid,,,,,[Cd+2],
,,,PLM:A:150,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:151,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5KIQ,,,,,,,
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:510,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,NAG FUC GAL SIA:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5IJ2,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5IJ3,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,A2G GAL SIA:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5IJ1,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,BGC GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,5EQ3,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,invalid,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,NA:B:505,invalid,,,,,[Na+],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,MBG NGC:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,5IIY,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6E6K,,,,,,,
,,,HVD:A:201,valid,,,,,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,Family. Representative Entry is ,1GSL,,,,,,,
,,,CA:A:251,Part of Protein,,,,,[Ca+2],
,,,MN:A:250,Part of Protein,,,,,[Mn+2],
,,,MAG FUC GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1OC)C,
,,,NAG FUC NAG BMA:C:1,Part of Protein,,,,,,
,,1LED,,,,,,,
,,,CA:A:251,Part of Protein,,,,,[Ca+2],
,,,MN:A:250,Part of Protein,,,,,[Mn+2],
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG FUC NAG:C:1,Part of Protein,,,,,,
,,,MAG GAL FUC FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1OC)C,
,Family. Representative Entry is ,1W6O,,,,,,,
,,,BME:A:2137,invalid,,,,,C(CS)O,
,,,BME:A:2138,invalid,,,,,C(CS)O,
,,,BME:B:3138,invalid,,,,,C(CS)O,
,,,BME:B:3139,invalid,,,,,C(CS)O,
,,,BME:B:3140,invalid,,,,,C(CS)O,
,,,SO4:B:3135,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:C:1,valid,Ka,=,2200,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,Ka,=,2200,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4CP9,,,,,,,
,,,GAL CN8:A:1123,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:B:1124,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:C:1124,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:D:1124,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1122,Part of Protein,,,,,[Ca+2],
,,,CA:D:1123,Part of Protein,,,,,[Ca+2],
,,,CA:B:1123,Part of Protein,,,,,[Ca+2],
,,,CA:C:1123,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:C:1126,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1125,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1127,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1126,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,EDO:B:1128,invalid,,,,,C(CO)O,
,,,EDO:B:1127,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3RDO,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,BTN:A:300,valid,Kd,=,0.14,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,NI:A:301,invalid,,,,,[Ni+2],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RDQ,,,,,,,
,,,DTB:A:300,valid,Kd,=,0.49,nM,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NI:A:301,invalid,,,,,[Ni+2],
,,3RDM,,,,,,,
,,,1PE:A:700,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BTN:A:300,valid,Kd,=,0.14,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,2GBP,,,,,,,
,,,BGC:A:310,valid,Kd,=,0.1,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:312,Part of Protein,,,,,[Ca+2],
,,2QW1,,,,,,,
,,,3MG:A:310,valid,Ki,=,125,uM,CO[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,CA:A:311,Part of Protein,,,,,[Ca+2],
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,3GBP,,,,,,,
,,,BGC:A:308,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:309,Part of Protein,,,,,[Ca+2],
,,1GLG,,,,,,,
,,,CA:A:312,Part of Protein,,,,,[Ca+2],
,,,GAL:A:310,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3GA5,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,NA:A:700,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,,RGG:A:400,valid,Kd,=,3.2,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O,
,,,RGG:B:401,valid,Kd,=,3.2,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H](CO)O)O)O)O)O,
,,,SCN:A:600,invalid,,,,,C(#N)[S-],
,,2FVY,,,,,,,
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,BGC:A:310,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:311,Part of Protein,,,,,[Ca+2],
,,,CO2:A:313,invalid,,,,,C(=O)=O,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,1GCA,,,,,,,
,,,CA:A:351,Part of Protein,,,,,[Ca+2],
,,,GAL:A:350,valid,Kd,=,0.2,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3AQZ,,,,,,,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,6PI5,,,,,,,
,,,GUN:D:401,valid,Kd,=,0.11,uM,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:A:401,valid,Kd,=,0.11,uM,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:401,valid,Kd,=,0.11,uM,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:401,valid,Kd,=,0.11,uM,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,DMS:C:402,invalid,,,,,CS(=O)C,
,,6PII,,,,,,,
,,,GUN:D:401,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:401,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:A:401,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:401,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,EMC:C:402,invalid,,,,,CC[Hg+],
,,,EMC:D:402,invalid,,,,,CC[Hg+],
,,,EMC:B:402,invalid,,,,,CC[Hg+],
,,,EMC:A:402,invalid,,,,,CC[Hg+],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,6PI6,,,,,,,
,,,OKM:A:401,valid,Kd,=,2.2,uM,CCNc1nc(nc(n1)O)NC(C)C,
,,,OKM:C:400,valid,Kd,=,2.2,uM,CCNc1nc(nc(n1)O)NC(C)C,
,,,OKM:B:400,valid,Kd,=,2.2,uM,CCNc1nc(nc(n1)O)NC(C)C,
,,,OKM:D:400,valid,Kd,=,2.2,uM,CCNc1nc(nc(n1)O)NC(C)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3K1X,,,,,,,
,,,DBX:A:131,valid,,,,,c1cc(c(cc1O)S(=O)(=O)O)O,
,,,DBX:B:131,valid,,,,,c1cc(c(cc1O)S(=O)(=O)O)O,
,,3JUT,,,,,,,
,,,GTQ:A:131,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,,GTQ:B:131,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,1HKN,,,,,,,
,,,N2M:C:4138,valid,,,,,c1cc2cc(ccc2c(c1)N)S(=O)(=O)O,
,,,N2M:D:5139,valid,,,,,c1cc2cc(ccc2c(c1)N)S(=O)(=O)O,
,,2UUS,,,,,,,
,,,GU4 YYJ:C:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,5B0I,,,,,,,
,,,BOG:D:401,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:501,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:502,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:401,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:401,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5B0J,,,,,,,
,,,UMQ:C:401,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,UMQ:D:401,valid,,,,,CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,6J8W,,,,,,,
,,,C0X:D:402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C,
,,,C0X:D:401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[C@@H](COP(=O)(OC)OC)C(=O)O)/C)/C)C,
,Family. Representative Entry is ,2CJW,,,,,,,
,,,GDP:A:999,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:999,valid,Kd,=,2.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:B:1000,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2X34,,,,,,,
,,,UQ8:A:7575,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ8:B:7576,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,2ZYK,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:H:1,valid,Kd,=,0.23,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:E:1,valid,Kd,=,0.23,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:G:1,valid,Kd,=,0.23,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:F:1,valid,Kd,=,0.23,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,2ZYN,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,2ZYO,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,2ZYM,,,,,,,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,2AUY,,,,,,,
,,,CA:A:273,Part of Protein,,,,,[Ca+2],
,,,CA:B:274,Part of Protein,,,,,[Ca+2],
,,,MN:A:271,Part of Protein,,,,,[Mn+2],
,,,MN:B:272,Part of Protein,,,,,[Mn+2],
,,,MMA MAN NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC)OC(CO)C1O)C,
,,,MMA MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC)OC(CO)C1O)C,
,Family. Representative Entry is ,4BX7,,,,,,,
,,,B4F:B:1134,valid,,,,,c1cc(c(cc1C(=O)NCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O)C4=C5C=CC(=O)C=C5Oc6c4ccc(c6)O,
,,,MPD:A:1134,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2YMZ,,,,,,,
,,,SO4:A:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:G:1,valid,Ka,=,6000,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,Ka,=,6000,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5CFV,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:1202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:1207,Part of Protein,,,,,[Mg+2],
,,,MG:A:1206,invalid,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5IHJ,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1207,invalid,,,,,[Ca+2],
,,,CA:A:1208,Part of Protein,,,,,[Ca+2],
,,,CA:A:1206,Part of Protein,,,,,[Ca+2],
,,,MPD:A:1201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1U29,,,,,,,
,,,I3P:A:101,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,1U27,,,,,,,
,,,4IP:A:101,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1LES,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,MN:C:202,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2Z49,,,,,,,
,,,AMG:A:1400,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:1401,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:1402,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:1403,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:1404,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:1405,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:1406,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:1407,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:1408,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:1409,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,CA:B:1005,Part of Protein,,,,,[Ca+2],
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2001,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1UGX,,,,,,,
,,,MGC GAL:C:1,valid,Ka,=,806000,M^-1,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
,,4R6Q,,,,,,,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:G:204,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,IPA:C:204,invalid,,,,,CC(C)O,
,,,IPA:H:101,invalid,,,,,CC(C)O,
,,,IPA:E:203,invalid,,,,,CC(C)O,
,,,NBZ GLA:A:201,valid,Ka,=,77900,M^-1,O(c1ccc(N(O)O)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,NBZ GLA:E:201,valid,Ka,=,77900,M^-1,O(c1ccc(N(O)O)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,NBZ GLA:C:201,valid,Ka,=,77900,M^-1,O(c1ccc(N(O)O)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,NBZ GLA:G:201,valid,Ka,=,77900,M^-1,O(c1ccc(N(O)O)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,5J4X,,,,,,,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:H:101,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,EDO:E:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,MBG GAL:I:1,valid,,,,,O(C)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,4R6O,,,,,,,
,,,IPA:G:206,invalid,,,,,CC(C)O,
,,,IPA:E:206,invalid,,,,,CC(C)O,
,,,IPA:F:101,invalid,,,,,CC(C)O,
,,,IPA:E:207,invalid,,,,,CC(C)O,
,,,IPA:E:208,invalid,,,,,CC(C)O,
,,,IPA:F:102,invalid,,,,,CC(C)O,
,,,IPA:G:204,invalid,,,,,CC(C)O,
,,,IPA:E:205,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:G:203,invalid,,,,,CC(C)O,
,,,IPA:G:205,invalid,,,,,CC(C)O,
,,,ZZ1 GLA:G:201,valid,Ka,=,335000,M^-1,,
,,,ZZ1 GLA:C:201,valid,Ka,=,335000,M^-1,,
,,,ZZ1 GLA:A:201,valid,Ka,=,335000,M^-1,,
,,,ZZ1 GLA:E:201,valid,Ka,=,335000,M^-1,,
,,,EDO:E:204,invalid,,,,,C(CO)O,
,,,EDO:E:203,invalid,,,,,C(CO)O,
,,4R6N,,,,,,,
,,,IPA:G:202,invalid,,,,,CC(C)O,
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,IPA:H:101,invalid,,,,,CC(C)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:C:202,invalid,,,,,CC(C)O,
,,,IPA:C:201,invalid,,,,,CC(C)O,
,,,IPA:C:203,invalid,,,,,CC(C)O,
,,,IPA:E:203,invalid,,,,,CC(C)O,
,,,IPA:E:204,invalid,,,,,CC(C)O,
,,,IPA:C:204,invalid,,,,,CC(C)O,
,,,IPA:D:101,invalid,,,,,CC(C)O,
,,,IPA:E:202,invalid,,,,,CC(C)O,
,,,IPA:E:205,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:G:203,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:D:102,invalid,,,,,CC(C)O,
,,,IPA:H:102,invalid,,,,,CC(C)O,
,,,MBG:E:201,valid,Ka,=,150,M^-1,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MBG:A:201,valid,Ka,=,150,M^-1,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MBG:G:201,valid,Ka,=,150,M^-1,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:D:103,invalid,,,,,C(CO)O,
,,,EDO:E:206,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:E:207,invalid,,,,,C(CO)O,
,,5JM1,,,,,,,
,,,PEG:C:202,invalid,,,,,C(COCCO)O,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:G:204,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,AMG:G:205,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,GAL GAL GLA:I:1,valid,,,,,,
,,5J51,,,,,,,
,,,GLA GLA:I:1,valid,,,,,,
,,,GLA GLA:J:1,valid,,,,,,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,EDO:E:208,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,EDO:E:204,invalid,,,,,C(CO)O,
,,,EDO:E:203,invalid,,,,,C(CO)O,
,,,EDO:C:208,invalid,,,,,C(CO)O,
,,,EDO:E:211,invalid,,,,,C(CO)O,
,,,EDO:E:206,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:G:204,invalid,,,,,C(CO)O,
,,,EDO:E:207,invalid,,,,,C(CO)O,
,,,EDO:E:209,invalid,,,,,C(CO)O,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:C:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:C:207,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:E:210,invalid,,,,,C(CO)O,
,,,EDO:C:210,invalid,,,,,C(CO)O,
,,,EDO:E:205,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:C:209,invalid,,,,,C(CO)O,
,,,EDO:E:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,IPA:B:101,invalid,,,,,CC(C)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:C:211,invalid,,,,,CC(C)O,
,,,IPA:A:206,invalid,,,,,CC(C)O,
,,,IPA:E:212,invalid,,,,,CC(C)O,
,,,PEG:A:207,invalid,,,,,C(COCCO)O,
,,5J4T,,,,,,,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:H:101,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:E:201,invalid,,,,,C(CO)O,
,,,MBG:G:201,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,PEG:E:202,invalid,,,,,C(COCCO)O,
,,,MBG NAG:I:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC)OC(CO)C1O)C,
,,4R6P,,,,,,,
,,,IPA:A:201,invalid,,,,,CC(C)O,
,,,IPA:C:201,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:E:201,invalid,,,,,CC(C)O,
,,,ZZ1 GAL:G:201,valid,Ka,=,12900,M^-1,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(O)C(O)C(CO)O1)c2,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,1PXD,,,,,,,
,,,SFP:A:134,valid,Ka,=,6500,M^-1,c1c(ccc(c1)S([O-])(O)O)/c/2c3/nc(/c(c/4[nH]/c(c(c5n/c(c(c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3,
,,,SFP:A:135,valid,Ka,=,6500,M^-1,c1c(ccc(c1)S([O-])(O)O)/c/2c3/nc(/c(c/4[nH]/c(c(c5n/c(c(c6[nH]c2cc6)/c7ccc(cc7)S([O-])(O)O)/C=C5)/c8ccc(cc8)S([O-])(O)O)/cc4)/c9ccc(cc9)S([O-])(O)O)C=C3,
,,4R6R,,,,,,,
,,,147:A:201,valid,Ka,=,2370,M^-1,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:E:201,valid,Ka,=,2370,M^-1,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:G:201,valid,Ka,=,2370,M^-1,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,IPA:A:207,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,4POW,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,OP1:A:303,valid,Kd,=,0.58,uM,[H]/N=C(N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O,
,,,OP1:B:301,valid,Kd,=,0.58,uM,[H]/N=C(N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O,
,,5OT8,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,PEG:A:313,invalid,,,,,C(COCCO)O,
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,6DB:B:303,valid,Kd,=,52,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,6DB:A:301,valid,Kd,=,52,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OT9,,,,,,,
,,,AOZ:B:301,valid,Kd,=,84.4,uM,CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O,
,,,AOZ:A:303,valid,Kd,=,84.4,uM,CC(C(=O)O)NC(Cc1c[nH]cn1)C(=O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,5OTC,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,PGE:A:319,invalid,,,,,C(COCCOCCO)O,
,,,AQK:A:301,valid,Kd,=,23,uM,C(C[C@@H](C(=O)O)NCC(=O)O)CN,
,,,AQK:B:301,valid,Kd,=,23,uM,C(C[C@@H](C(=O)O)NCC(=O)O)CN,
,,,PEG:A:318,invalid,,,,,C(COCCO)O,
,,5ITO,,,,,,,
,,,TOE:A:305,invalid,,,,,COCCOCCOCCO,
,,,TOE:A:306,invalid,,,,,COCCOCCOCCO,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,PEG:A:301,invalid,,,,,C(COCCO)O,
,,,6DB:B:303,valid,Kd,=,68.9,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,6DB:A:304,valid,Kd,=,68.9,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,1PE:A:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5ITP,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,6DB:B:301,valid,Kd,=,9.9,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,6DB:A:301,valid,Kd,=,9.9,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,PEG:A:309,invalid,,,,,C(COCCO)O,
,,4POX,,,,,,,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,PEG:A:309,invalid,,,,,C(COCCO)O,
,,,15P:A:302,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,2W2:A:301,valid,Kd,=,3.7,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O,
,,,2W2:B:301,valid,Kd,=,3.7,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](CCC(=O)O)C(=O)O,
,,5OTA,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,AQQ:B:301,valid,Kd,=,4.4,uM,C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O,
,,,AQQ:A:301,valid,Kd,=,4.4,uM,C[C@H](C(=O)O)N[C@@H](CCCN)C(=O)O,
,,4PP0,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,OP1:A:301,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O,
,,,OP1:B:301,valid,,,,,[H]/N=C(N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O,
,,,PEG:A:307,invalid,,,,,C(COCCO)O,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1Y52,,,,,,,
,,,BTN:X:801,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:Y:802,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,NAG:X:901,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:X:905,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:Y:902,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:Y:906,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1Y55,,,,,,,
,,,BTN:X:801,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:Y:802,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,FMT:X:901,invalid,,,,,C(=O)O,
,,,FMT:X:903,invalid,,,,,C(=O)O,
,,,FMT:Y:902,invalid,,,,,C(=O)O,
,,,FMT:Y:904,invalid,,,,,C(=O)O,
,,2FHN,,,,,,,
,,,BNI:X:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:Y:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,FMT:X:903,invalid,,,,,C(=O)O,
,,,FMT:Y:901,invalid,,,,,C(=O)O,
,,,FMT:Y:902,invalid,,,,,C(=O)O,
,,,FMT:Y:904,invalid,,,,,C(=O)O,
,,,FMT:Y:905,invalid,,,,,C(=O)O,
,,,FMT:Y:906,invalid,,,,,C(=O)O,
,,2OF8,,,,,,,
,,,BNI:A:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,2FHL,,,,,,,
,,,BNI:A:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:B:401,invalid,,,,,C(=O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:B:409,invalid,,,,,C(=O)O,
,,,FMT:B:410,invalid,,,,,C(=O)O,
,,2OFB,,,,,,,
,,,BNI:A:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:B:401,invalid,,,,,C(=O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,4D4U,,,,,,,
,,,FUC:B:950,valid,Kd,=,91.9,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:950,valid,Kd,=,91.9,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GOL:A:941,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:940,invalid,,,,,C(C(CO)O)O,
,,,GAL FUC:J:1,valid,Kd,=,14.2,uM,O(C1C(O)C(O)C(O)C(C)O1)C1C(O)C(O)C(CO)OC1,
,,,NDG FUC GAL FUC:E:1,valid,Kd,=,91.9,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:I:1,valid,Kd,=,91.9,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:F:1,valid,Kd,=,91.9,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL FUC:C:1,valid,Kd,=,11.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,Kd,=,11.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,Kd,=,11.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:H:1,valid,Kd,=,11.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,4AGI,,,,,,,
,,,SFU:A:960,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:910,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:960,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:910,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:990,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:940,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:950,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:950,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:920,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:990,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:940,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:940,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:960,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:920,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:930,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:920,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:950,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:940,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:930,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:930,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:950,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:910,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:930,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:910,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:960,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:D:920,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,Family. Representative Entry is ,1EU8,,,,,,,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,CL:A:561,invalid,,,,,[Cl-],
,,,CL:A:562,invalid,,,,,[Cl-],
,,,PT:A:411,invalid,,,,,[Pt+2],
,,,PT:A:415,invalid,,,,,[Pt+2],
,,,PT:A:560,invalid,,,,,[Pt+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2WGC,,,,,,,
,,,BGC GAL SIA:C:1,valid,Kd,=,3.6,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:D:1,valid,Kd,=,3.6,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,1ZGS,,,,,,,
,,,XMM:A:450,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:A:451,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:A:452,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:453,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:454,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:455,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,Family. Representative Entry is ,1AX2,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA XYP MAN MAN:B:1,Part of Protein,,,,,,
,,,NDG GAL:C:1,valid,Ka,=,9730,M^-1,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,1V00,,,,,,,
,,,CA:A:1242,Part of Protein,,,,,[Ca+2],
,,,CA:B:1242,Part of Protein,,,,,[Ca+2],
,,,CA:C:1242,Part of Protein,,,,,[Ca+2],
,,,CA:D:1242,Part of Protein,,,,,[Ca+2],
,,,MN:A:1241,Part of Protein,,,,,[Mn+2],
,,,MN:B:1241,Part of Protein,,,,,[Mn+2],
,,,MN:C:1241,Part of Protein,,,,,[Mn+2],
,,,MN:D:1241,Part of Protein,,,,,[Mn+2],
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3N3H,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,CIT:A:323,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,3N36,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,GLA:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,1AX0,,,,,,,
,,,A2G:A:401,valid,Ka,=,1340,M^-1,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA XYP MAN MAN:B:1,Part of Protein,,,,,,
,,1UZY,,,,,,,
,,,CA:A:1247,Part of Protein,,,,,[Ca+2],
,,,CA:B:1249,Part of Protein,,,,,[Ca+2],
,,,EPE:A:1240,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1241,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1239,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1240,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MN:A:1248,Part of Protein,,,,,[Mn+2],
,,,MN:B:1250,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG:C:1,Part of Protein,,,,,,
,,,NAG FUL NAG BMA XYP MAN:E:1,Part of Protein,,,,,,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1LTE,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA XYL MAN MAN:B:1,Part of Protein,,,,,,
,,1AX1,,,,,,,
,,,BGC GAL:C:1,valid,Ka,=,1940,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA XYP MAN MAN:B:1,Part of Protein,,,,,,
,,1GZC,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,BGC GAL:B:1,valid,Kd,=,0.32,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,3N35,,,,,,,
,,,A2G:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,1AXZ,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,GAL:A:402,valid,Ka,=,1570,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:401,valid,Ka,=,1570,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA XYP MAN MAN:B:1,Part of Protein,,,,,,
,,1GZ9,,,,,,,
,,,CA:A:290,Part of Protein,,,,,[Ca+2],
,,,MN:A:289,Part of Protein,,,,,[Mn+2],
,,,BGC GAL FUC:B:1,valid,Kd,=,0.31,mM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6MCJ,,,,,,,
,,,IOD:A:203,invalid,,,,,[I-],
,,,IOD:B:205,invalid,,,,,[I-],
,,,IOD:B:202,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:B:204,invalid,,,,,[I-],
,,,IOD:A:202,invalid,,,,,[I-],
,,,IOD:B:203,invalid,,,,,[I-],
,,,1PE:A:206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,45D:B:201,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,,,45D:A:201,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,Family. Representative Entry is ,1XZ3,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,ICF:A:201,valid,Ka,~,100000,M^-1,[C@H](C(F)(F)F)(OC(F)F)Cl,
,,3F39,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,CD:A:1008,invalid,,,,,[Cd+2],
,,,IPH:A:2001,valid,Kd,=,16.5,mM,c1ccc(cc1)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XZ1,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,HLT:A:2001,valid,Ka,~,100000,M^-1,[C@@H](C(F)(F)F)(Cl)Br,
,,3F35,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,DIE:A:2001,valid,Kd,=,0.69,mM,CCc1cccc(c1O)CC,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F33,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,PFL:A:2001,valid,Kd,=,0.46,mM,CC(C)c1cccc(c1O)C(C)C,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F38,,,,,,,
,,,2MY:A:2001,valid,Kd,=,2.4,mM,Cc1cccc(c1O)C,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F37,,,,,,,
,,,2MY:A:2001,valid,Kd,=,2.4,mM,Cc1cccc(c1O)C,
,,,ACT:A:3004,invalid,,,,,CC(=O)[O-],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F34,,,,,,,
,,,ACT:A:3004,invalid,,,,,CC(=O)[O-],
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,DIE:A:2001,valid,Kd,=,0.69,mM,CCc1cccc(c1O)CC,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F36,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,CD:A:1006,invalid,,,,,[Cd+2],
,,,CD:A:1007,invalid,,,,,[Cd+2],
,,,CD:A:1008,invalid,,,,,[Cd+2],
,,,IP0:A:2001,valid,Kd,=,1.3,mM,CC(C)c1ccccc1O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2VPN,,,,,,,
,,,4CS:A:1311,valid,Kd,=,0.19,uM,CC1=N[C@@H](CCN1)C(=O)O,
,,,4CS:B:1311,valid,Kd,=,0.19,uM,CC1=N[C@@H](CCN1)C(=O)O,
,,,MG:A:1312,Part of Protein,,,,,[Mg+2],
,,,MG:A:1313,Part of Protein,,,,,[Mg+2],
,,,MG:A:1314,Part of Protein,,,,,[Mg+2],
,,,MG:A:1315,Part of Protein,,,,,[Mg+2],
,,,MG:B:1312,Part of Protein,,,,,[Mg+2],
,,,MG:B:1313,Part of Protein,,,,,[Mg+2],
,,,MG:B:1314,Part of Protein,,,,,[Mg+2],
,,,MG:B:1315,Part of Protein,,,,,[Mg+2],
,,2VPO,,,,,,,
,,,6CS:A:1312,valid,Kd,=,3.8,uM,CC1=N[C@@H]([C@H](CN1)O)C(=O)O,
,,,6CS:B:1312,valid,Kd,=,3.8,uM,CC1=N[C@@H]([C@H](CN1)O)C(=O)O,
,,,MG:A:1313,Part of Protein,,,,,[Mg+2],
,,,MG:B:1313,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1ULE,,,,,,,
,,,NAG GAL GLA:C:1,valid,Kd,=,1.2,uM,,
,,,NAG GAL GLA:D:1,valid,Kd,=,1.2,uM,,
,,1ULG,,,,,,,
,,,NGA GAL:H:1,valid,Kd,=,62.2,uM,,
,,,NGA GAL:E:1,valid,Kd,=,62.2,uM,,
,,,NGA GAL:G:1,valid,Kd,=,62.2,uM,,
,,,NGA GAL:F:1,valid,Kd,=,62.2,uM,,
,,2WKK,,,,,,,
,,,FUC GAL:E:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(O)C(O)C(O)C(CO)O1,
,,,FUC GAL:H:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(O)C(O)C(O)C(CO)O1,
,,,GOL:C:1154,invalid,,,,,C(C(CO)O)O,
,,,MG:C:1155,invalid,,,,,[Mg+2],
,,,NAG FUC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,1ULF,,,,,,,
,,,BGC GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,1ULD,,,,,,,
,,,NAG GAL FUC:H:1,valid,Kd,=,4.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:E:1,valid,Kd,=,4.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,Kd,=,4.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:F:1,valid,Kd,=,4.5,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1SW1,,,,,,,
,,,PBE:A:301,valid,Kd,=,50,nM,C[N+]1(CCC[C@H]1C(=O)O)C,
,,,PBE:B:302,valid,Kd,=,50,nM,C[N+]1(CCC[C@H]1C(=O)O)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5F7Y,,,,,,,
,,,GLC GAL NAG GAL FUC A2G:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GLC GAL NAG GAL FUC A2G:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,4B2Z,,,,,,,
,,,SO4:A:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DTT:B:1437,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,P5S:B:1436,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC,
,,,P5S:A:1436,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DTU:A:1437,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,Family. Representative Entry is ,6T1D,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:F:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:E:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,GLC GLA:N:1,valid,Kd,~,780,uM,,
,,,GLC GLA:J:1,valid,Kd,~,780,uM,,
,,,GLC GLA:H:1,valid,Kd,~,780,uM,,
,,,GLC GLA:L:1,valid,Kd,~,780,uM,,
,,,GLC GLA:M:1,valid,Kd,~,780,uM,,
,,,GLC GLA:R:1,valid,Kd,~,780,uM,,
,,,GLC GLA:I:1,valid,Kd,~,780,uM,,
,,,GLC GLA:P:1,valid,Kd,~,780,uM,,
,,,GLC GLA:Q:1,valid,Kd,~,780,uM,,
,,,GLC GLA:K:1,valid,Kd,~,780,uM,,
,,,GLC GLA:G:1,valid,Kd,~,780,uM,,
,,,GLC GLA:O:1,valid,Kd,~,780,uM,,
,,6LI7,,,,,,,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGA:A:411,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,6KBJ,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MLI:A:405,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:404,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:403,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6KC2,,,,,,,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,RAM:A:410,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:409,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,6LIK,,,,,,,
,,,GLA:A:411,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1WGC,,,,,,,
,,,BGC GAL SIA:C:1,valid,Kd,=,0.74,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:D:1,valid,Kd,=,0.74,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6YBL,,,,,,,
,,,OK5:A:402,valid,Ki,=,0.029,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7ccnc(n7)c8ccccc8OC)C(=O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMT,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,865:A:402,valid,,,,,Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WGI,,,,,,,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,3M6:A:402,valid,,,,,C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6YBK,,,,,,,
,,,OK2:A:403,valid,Ki,=,5,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(cc5)F)O[C@H](Cc6ccccc6OCc7cnccn7)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QYO,,,,,,,
,,,JLH:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)OCCN5CCN(CC5)C,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QZ7,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,JLE:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QXJ,,,,,,,
,,,JKQ:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4,
,,,NA:A:403,invalid,,,,,[Na+],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMX,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,3R7:A:402,valid,Kd,=,14.1,uM,C=Cc1ccc(c(c1)NS(=O)(=O)c2ccccc2)C(=O)O,
,,,MG:A:413,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMV,,,,,,,
,,,3R4:A:404,valid,Kd,=,93,uM,c1cc2c(cc1F)sc(c2Cl)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMW,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,3R6:A:412,valid,,,,,CSc1ccc(c(c1)C(=O)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMS,,,,,,,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QYL,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,JLE:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QYN,,,,,,,
,,,JL8:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5LOF,,,,,,,
,,,70R:A:401,valid,Kd,=,0.19,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7CC(F)(F)F)C(=O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6YBJ,,,,,,,
,,,OJW:A:403,valid,Ki,=,0.86,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5ccc(o5)F)O[C@H](Cc6ccccc6OCc7ccnn7C)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WMU,,,,,,,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:416,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:415,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:A:414,invalid,,,,,C(=O)O,
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,NA:A:418,invalid,,,,,[Na+],
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,19H:A:402,valid,Kd,=,0.18,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(cc3[nH]c2C(=O)O)Cl,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QYK,,,,,,,
,,,JLB:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)O[C@H](C)C(=O)O)c3ccc4c(c3)cc[nH]4,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6QGD,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,J1N:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)NC(CO)C(=O)O)c3ccccc3,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6E5W,,,,,,,
,,,HVD:D:201,valid,,,,,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,,HVD:A:201,valid,,,,,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,,HVD:B:201,valid,,,,,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,,HVD:C:201,valid,,,,,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5OSQ,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,PGE:B:505,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3D4G,,,,,,,
,,,CA:A:483,Part of Protein,,,,,[Ca+2],
,,,CA:A:484,Part of Protein,,,,,[Ca+2],
,,,CA:A:485,Part of Protein,,,,,[Ca+2],
,,,CA:B:483,Part of Protein,,,,,[Ca+2],
,,,CA:B:484,Part of Protein,,,,,[Ca+2],
,,,CA:B:485,Part of Protein,,,,,[Ca+2],
,,,CA:C:483,Part of Protein,,,,,[Ca+2],
,,,CA:C:484,Part of Protein,,,,,[Ca+2],
,,,CA:C:485,Part of Protein,,,,,[Ca+2],
,,,CA:D:483,Part of Protein,,,,,[Ca+2],
,,,CA:D:484,Part of Protein,,,,,[Ca+2],
,,,CA:D:485,Part of Protein,,,,,[Ca+2],
,,,CA:E:483,Part of Protein,,,,,[Ca+2],
,,,CA:E:484,Part of Protein,,,,,[Ca+2],
,,,CA:E:485,Part of Protein,,,,,[Ca+2],
,,,CA:F:483,Part of Protein,,,,,[Ca+2],
,,,CA:F:484,Part of Protein,,,,,[Ca+2],
,,,CA:F:485,Part of Protein,,,,,[Ca+2],
,,,CA:G:483,Part of Protein,,,,,[Ca+2],
,,,CA:G:484,Part of Protein,,,,,[Ca+2],
,,,CA:G:485,Part of Protein,,,,,[Ca+2],
,,,CA:H:483,Part of Protein,,,,,[Ca+2],
,,,CA:H:484,Part of Protein,,,,,[Ca+2],
,,,CA:H:485,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:P:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:M:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:N:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:O:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1MVQ,,,,,,,
,,,CA:A:238,Part of Protein,,,,,[Ca+2],
,,,MMA:A:237,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:239,Part of Protein,,,,,[Mn+2],
,,3U4X,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,XMM:A:239,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,Family. Representative Entry is ,2QM9,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDZ:A:201,valid,Kd,=,17,nM,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C,
,,,TDZ:B:202,valid,Kd,=,17,nM,Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@@H]4C(=O)NC(=O)S4)C,
,,2Q9S,,,,,,,
,,,EIC:A:601,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5V6F,,,,,,,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BMA MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5V6K,,,,,,,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,MAN NAG:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,2WMH,,,,,,,
,,,GAL FUC:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(C)O1)C1C(O)C(O)C(CO)OC1,
,,2WMG,,,,,,,
,,,NAG FUC GAL FUC:B:1,valid,,,,,,
,Family. Representative Entry is ,2OFE,,,,,,,
,,,ACT:A:993,invalid,,,,,CC(=O)[O-],
,,,ACT:B:994,invalid,,,,,CC(=O)[O-],
,,,ACT:B:995,invalid,,,,,CC(=O)[O-],
,,,MPD:B:996,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:997,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:998,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NAG:A:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5VYB,,,,,,,
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:A:309,Part of Protein,,,,,[Ca+2],
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,PEG:A:311,invalid,,,,,C(COCCO)O,
,,,BMA MAN MAN MAN MAN MAN MAN:B:1,valid,,,,,,
,Family. Representative Entry is ,1PZ4,,,,,,,
,,,PLM:A:200,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6HXU,,,,,,,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1C3M,,,,,,,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,1C3N,,,,,,,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,Family. Representative Entry is ,1A99,,,,,,,
,,,PUT:A:371,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:B:371,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:C:371,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:D:371,valid,Kd,=,2,uM,C(CCN)CN,
,,4JDF,,,,,,,
,,,SPD:A:401,valid,Kd,=,6.4,mM,C(CCNCCCN)CN,
,Family. Representative Entry is ,4YBN,,,,,,,
,,,HEM:A:304,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,,,NI:B:303,Part of Protein,,,,,[Ni+2],
,,,FAD:B:305,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1EK0,,,,,,,
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,NI:A:602,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5DG2,,,,,,,
,,,GLC GAL:C:1,valid,,,,,,
,,5EWS,,,,,,,
,,,BGC GAL:U:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:W:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:T:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:R:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:V:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:X:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:Q:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:S:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1Z17,,,,,,,
,,,ILE:A:400,valid,Kd,=,0.9,uM,CC[C@H](C)[C@@H](C(=O)O)N,
,,,MRD:A:410,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1Z16,,,,,,,
,,,CD:A:800,invalid,,,,,[Cd+2],
,,,LEU:A:400,valid,Kd,=,2.3,uM,CC(C)C[C@@H](C(=O)O)N,
,,1Z18,,,,,,,
,,,CD:A:345,invalid,,,,,[Cd+2],
,,,CD:A:346,invalid,,,,,[Cd+2],
,,,CD:A:347,invalid,,,,,[Cd+2],
,,,VAL:A:400,valid,Kd,=,4,uM,CC(C)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6OB5,,,,,,,
,,,FPP:D:201,valid,Kd,=,6.1,uM,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2GNB,,,,,,,
,,,MAN:A:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5GUB,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,MES:A:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NGA GCD:D:1,valid,Kd,=,0.635,uM,,
,,,NGA GCD:F:1,valid,Kd,=,0.635,uM,,
,,,NGA GCD:E:1,valid,Kd,=,0.635,uM,,
,,5XS8,,,,,,,
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,8EX GCD:H:1,valid,,,,,S(=O)(=O)(OCC1C(OS(=O)(=O)[O-])C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,,8EX GCD:G:1,valid,,,,,S(=O)(=O)(OCC1C(OS(=O)(=O)[O-])C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,,8EX GCD:E:1,valid,,,,,S(=O)(=O)(OCC1C(OS(=O)(=O)[O-])C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,,8EX GCD:F:1,valid,,,,,S(=O)(=O)(OCC1C(OS(=O)(=O)[O-])C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,6INZ,,,,,,,
,,,CA:A:611,Part of Protein,,,,,[Ca+2],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG GCD:B:1,valid,Kd,=,1.6,uM,,
,,5GX7,,,,,,,
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,NG6 GCD:F:1,valid,Kd,=,2.76,uM,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,,NG6 GCD:D:1,valid,Kd,=,2.76,uM,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,,NG6 GCD:E:1,valid,Kd,=,2.76,uM,S(=O)(=O)(OCC1C(O)C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)O1)[O-],
,,5GX6,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,ASG GCD:F:1,valid,Kd,=,1.6,uM,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,ASG GCD:D:1,valid,Kd,=,1.6,uM,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,ASG GCD:E:1,valid,Kd,=,1.6,uM,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,Family. Representative Entry is ,1KJ1,,,,,,,
,,,MAN:A:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:305,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:306,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:307,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:308,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:309,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:310,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:Q:311,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:Q:312,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:Q:313,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3QDY,,,,,,,
,,,A2G GAL:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2QO4,,,,,,,
,,,CHD:A:130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,GOL:A:145,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:140,invalid,,,,,CC(C)O,
,,,IPA:A:141,invalid,,,,,CC(C)O,
,,,IPA:A:142,invalid,,,,,CC(C)O,
,,2QO6,,,,,,,
,,,CHD:A:130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,GOL:A:145,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:140,invalid,,,,,CC(C)O,
,,,IPA:A:141,invalid,,,,,CC(C)O,
,,,IPA:A:142,invalid,,,,,CC(C)O,
,,2QO5,,,,,,,
,,,CHD:A:130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:131,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,1XP8,,,,,,,
,,,AGS:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,1K12,,,,,,,
,,,CA:A:160,Part of Protein,,,,,[Ca+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,FUC:A:159,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,3DIW,,,,,,,
,,,ASN GLN LEU ALA TRP PHE ASP THR ASP LEU:C:773,valid,Kd,=,0.19,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)N)CC(C)C)C)Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])C(O)C)CC(=O)[O-])CC(C)C,
,,,ASN GLN LEU ALA TRP PHE ASP THR ASP LEU:D:773,valid,Kd,=,0.19,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)N)CC(C)C)C)Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])C(O)C)CC(=O)[O-])CC(C)C,
,Family. Representative Entry is ,1JZN,,,,,,,
,,,BGC GAL:F:1,valid,Ki,=,80,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,Ki,=,80,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:J:1,valid,Ki,=,80,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,Ki,=,80,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,Ki,=,80,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,CA:A:1138,Part of Protein,,,,,[Ca+2],
,,,CA:B:2138,Part of Protein,,,,,[Ca+2],
,,,CA:C:3138,Part of Protein,,,,,[Ca+2],
,,,CA:D:4138,Part of Protein,,,,,[Ca+2],
,,,CA:E:5138,Part of Protein,,,,,[Ca+2],
,,,CL:B:1140,invalid,,,,,[Cl-],
,,,NA:A:1139,Part of Protein,,,,,[Na+],
,,,NA:B:2139,Part of Protein,,,,,[Na+],
,,,NA:C:3139,Part of Protein,,,,,[Na+],
,,,NA:D:4139,Part of Protein,,,,,[Na+],
,,,NA:E:5139,Part of Protein,,,,,[Na+],
,,1MUQ,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:E:205,Part of Protein,,,,,[Ca+2],
,,,GAL:A:301,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:304,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:305,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:B:207,Part of Protein,,,,,[Na+],
,,,NA:C:208,Part of Protein,,,,,[Na+],
,,,NA:D:209,Part of Protein,,,,,[Na+],
,,,NA:E:210,Part of Protein,,,,,[Na+],
,,,YIO GAL:F:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2X32,,,,,,,
,,,IMD:A:1175,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1175,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1176,invalid,,,,,c1c[nH+]c[nH]1,
,,,OTP:A:1174,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,OTP:B:1174,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,1LOF,,,,,,,
,,,CA:A:227,Part of Protein,,,,,[Ca+2],
,,,CA:C:457,Part of Protein,,,,,[Ca+2],
,,,MAN MAN NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,MN:A:228,Part of Protein,,,,,[Mn+2],
,,,MN:C:458,Part of Protein,,,,,[Mn+2],
,,,NAG BMA MAN MAN NAG GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,Family. Representative Entry is ,5NLD,,,,,,,
,,,GLC GAL:C:1,valid,,,,,,
,,5NM1,,,,,,,
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:G:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,,5NMJ,,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,,5NLH,,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,,5NLE,,,,,,,
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:G:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,Family. Representative Entry is ,1TW4,,,,,,,
,,,CHD:A:130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:131,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:1131,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,4CPH,,,,,,,
,,,LH4:B:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,,,LH4:C:1000,valid,,,,,c1cc(c(c(c1)c2ccc(cc2)S(=O)(=O)N3CCOCC3)NNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)c6ccc(cc6)S(=O)(=O)N7CCOCC7,
,Family. Representative Entry is ,1T27,,,,,,,
,,,PCW:A:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,Family. Representative Entry is ,4Y24,,,,,,,
,,,TD2:A:201,valid,Kd,=,0.22,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O,
,,,TD2:B:201,valid,Kd,=,0.22,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O,
,,4XBL,,,,,,,
,,,NAG GAL:C:1,valid,Kd,=,340,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,Kd,=,340,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1WBI,,,,,,,
,,,BTN:A:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:E:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:F:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:G:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:H:1001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:1124,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1122,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1123,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1122,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1124,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1125,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1124,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1122,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1123,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1124,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YS9,,,,,,,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,invalid,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,invalid,,,,,[Zn+2],
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4WTH,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2IT5,,,,,,,
,,,CA:A:101,Part of Protein,,,,,[Ca+2],
,,,CA:A:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:103,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,1SL5,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GAL NAG FUC GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,2BS5,,,,,,,
,,,BGC GAL FUC:C:1,valid,Kd,=,250,nM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,BGC GAL FUC:B:1,valid,Kd,=,250,nM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,CL:A:807,invalid,,,,,[Cl-],
,,5AJB,,,,,,,
,,,NAG FUC:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GLA NAG FUC GAL:E:1,valid,Kd,=,25.7,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OCC1O)C,
,,5O7V,,,,,,,
,,,EOH:A:101,invalid,,,,,CCO,
,,,NA:A:111,Part of Protein,,,,,[Na+],
,,,NA:A:103,invalid,,,,,[Na+],
,,,NA:B:101,Part of Protein,,,,,[Na+],
,,,NA:A:104,Part of Protein,,,,,[Na+],
,,,CL:A:102,invalid,,,,,[Cl-],
,,,NAG FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GLA NAG FUC GAL:D:1,valid,Kd,=,52.4,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OCC1O)C,
,,,GLA NAG FUC GAL:F:1,valid,Kd,=,52.4,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OCC1O)C,
,,5O7U,,,,,,,
,,,MG:B:102,Part of Protein,,,,,[Mg+2],
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,CA:B:101,invalid,,,,,[Ca+2],
,,,NAG FUC:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,GAL NAG FUC GAL:F:1,valid,Kd,=,52.1,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GLA NAG FUC GAL:D:1,valid,Kd,=,52.1,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OCC1O)C,
,,,NAG FUC GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,2BT9,,,,,,,
,,,MFU:A:1091,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:1092,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:1089,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:1090,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:1090,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:1091,valid,Kd,=,0.64,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,2BS6,,,,,,,
,,,FUC:A:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:901,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,XYS GAL FUC:F:1,valid,,,,,O(C1C(O)C(O)COC1O)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,XYS GAL FUC:E:1,valid,,,,,O(C1C(O)C(O)COC1O)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,XYS GAL FUC:D:1,valid,,,,,O(C1C(O)C(O)COC1O)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,6T9B,,,,,,,
,,,GLY:E:103,valid,,,,,C(C(=O)O)N,
,,,GLY:H:103,valid,,,,,C(C(=O)O)N,
,,,GLY:B:103,valid,,,,,C(C(=O)O)N,
,,,GLY:C:103,valid,,,,,C(C(=O)O)N,
,,,GLY:D:103,valid,,,,,C(C(=O)O)N,
,,,GLY:I:103,valid,,,,,C(C(=O)O)N,
,,,GLY:A:103,valid,,,,,C(C(=O)O)N,
,,,GLY:G:103,valid,,,,,C(C(=O)O)N,
,,,MFU:F:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:H:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:G:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:H:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:I:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:F:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:I:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:G:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,4I6S,,,,,,,
,,,FUC:B:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,PG4:C:103,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:105,invalid,,,,,C(COCCOCCOCCO)O,
,,,FUL:B:103,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:104,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:103,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,6SU0,,,,,,,
,,,MFU:C:205,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:O:204,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:F:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:204,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:I:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:206,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:N:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:O:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,QQ7:K:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:M:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:C:204,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:B:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:I:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:O:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:N:202,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:J:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:A:202,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:N:201,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:O:202,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:M:202,invalid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,NA:F:201,invalid,,,,,[Na+],
,,,NA:D:201,invalid,,,,,[Na+],
,,,NA:C:201,invalid,,,,,[Na+],
,,,NA:A:201,invalid,,,,,[Na+],
,,,NA:C:203,invalid,,,,,[Na+],
,,,NA:C:202,invalid,,,,,[Na+],
,,5AJC,,,,,,,
,,,FUL:C:112,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:112,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:112,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUC:B:111,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:111,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,TRS:A:99,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NDG FUC GAL SIA:F:1,valid,,,,,,
,,,NAG FUC:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NDG FUC GAL:D:1,valid,,,,,,
,,3ZI8,,,,,,,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MRD:A:102,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,FUL:A:100,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,6STZ,,,,,,,
,,,BDF:E:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:D:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:A:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:F:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:D:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:C:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:A:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:B:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:B:102,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:F:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:E:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,BDF:C:101,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,6T9A,,,,,,,
,,,FUL:C:105,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:104,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:103,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUC:A:103,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:104,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:C:103,invalid,,,,,C(CO)O,
,,,EDO:A:105,invalid,,,,,C(CO)O,
,,5O7W,,,,,,,
,,,EDO:B:106,invalid,,,,,C(CO)O,
,,,CA:B:105,invalid,,,,,[Ca+2],
,,,NAG FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,GLA NAG FUC GAL:D:1,valid,Kd,=,67.8,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OCC1O)C,
,,,GAL NAG FUC GAL:E:1,valid,Kd,=,67.8,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,5BVT,,,,,,,
,,,PAM:A:201,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,3EM0,,,,,,,
,,,CHD:A:150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:151,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:152,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:153,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:151,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:152,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:153,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,3ELZ,,,,,,,
,,,CHD:A:150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:151,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:152,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:153,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:200,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:151,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:152,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:153,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:B:200,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:150,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:151,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:C:153,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,4YWA,,,,,,,
,,,CA:B:900,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:900,Part of Protein,,,,,[Ca+2],
,,,4J9:C:201,valid,Kd,=,28,nM,c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O,
,,,4J9:A:202,valid,Kd,=,28,nM,c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O,
,,5D21,,,,,,,
,,,56N:D:202,valid,,,,,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,56N:C:202,valid,,,,,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,56N:B:202,valid,,,,,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,56N:A:902,valid,,,,,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,4LJH,,,,,,,
,,,MHD GAL:B:202,valid,Kd,=,19.4,uM,O(c1c2c(n(C)c1)cccc2)C1C(O)C(O)C(O)C(CO)O1,
,,,MHD GAL:D:202,valid,Kd,=,19.4,uM,O(c1c2c(n(C)c1)cccc2)C1C(O)C(O)C(O)C(CO)O1,
,,,MHD GAL:C:202,valid,Kd,=,19.4,uM,O(c1c2c(n(C)c1)cccc2)C1C(O)C(O)C(O)C(CO)O1,
,,,MHD GAL:A:202,valid,Kd,=,19.4,uM,O(c1c2c(n(C)c1)cccc2)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,2VXJ,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:200,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:201,Part of Protein,,,,,[Ca+2],
,,,CA:I:201,Part of Protein,,,,,[Ca+2],
,,,CA:J:200,Part of Protein,,,,,[Ca+2],
,,,CA:K:200,Part of Protein,,,,,[Ca+2],
,,,CA:L:201,Part of Protein,,,,,[Ca+2],
,,,CA:M:201,Part of Protein,,,,,[Ca+2],
,,,CA:N:201,Part of Protein,,,,,[Ca+2],
,,,CA:O:201,Part of Protein,,,,,[Ca+2],
,,,CA:P:200,Part of Protein,,,,,[Ca+2],
,,,CA:Q:201,Part of Protein,,,,,[Ca+2],
,,,CA:R:200,Part of Protein,,,,,[Ca+2],
,,,CA:S:201,Part of Protein,,,,,[Ca+2],
,,,CA:T:200,Part of Protein,,,,,[Ca+2],
,,,CA:U:201,Part of Protein,,,,,[Ca+2],
,,,CA:V:201,Part of Protein,,,,,[Ca+2],
,,,CA:W:201,Part of Protein,,,,,[Ca+2],
,,,CA:X:201,Part of Protein,,,,,[Ca+2],
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:E:205,invalid,,,,,C(CO)O,
,,,EDO:Q:205,invalid,,,,,C(CO)O,
,,,EDO:H:205,invalid,,,,,C(CO)O,
,,,EDO:I:206,invalid,,,,,C(CO)O,
,,,EDO:I:205,invalid,,,,,C(CO)O,
,,,EDO:L:205,invalid,,,,,C(CO)O,
,,,EDO:L:205,invalid,,,,,C(CO)O,
,,,EDO:M:206,invalid,,,,,C(CO)O,
,,,EDO:N:205,invalid,,,,,C(CO)O,
,,,EDO:O:205,invalid,,,,,C(CO)O,
,,,EDO:M:205,invalid,,,,,C(CO)O,
,,,EDO:Q:206,invalid,,,,,C(CO)O,
,,,EDO:S:205,invalid,,,,,C(CO)O,
,,,EDO:U:205,invalid,,,,,C(CO)O,
,,,EDO:V:205,invalid,,,,,C(CO)O,
,,,EDO:W:206,invalid,,,,,C(CO)O,
,,,EDO:W:205,invalid,,,,,C(CO)O,
,,,EDO:X:205,invalid,,,,,C(CO)O,
,,,BGC GAL GLA:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:I:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:J:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:K:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:M:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:N:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:O:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:P:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:Q:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:R:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:S:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:T:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:U:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:V:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:R:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL BGC GLA:L:1,valid,,,,,,
,,,GLC GAL GLA:A:1,valid,,,,,,
,,,GLC GAL GLA:C:1,valid,,,,,,
,,4LKF,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,GAL TRP LYS TYR LEU PHB:B:201,valid,Kd,=,4.3,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])Cc1ccc(O)cc1,
,,,GAL TRP LYS TYR LEU PHB:A:201,valid,Kd,=,4.3,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])Cc1ccc(O)cc1,
,,3ZYF,,,,,,,
,,,147:A:1001,valid,Kd,=,14.1,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:B:1002,valid,Kd,=,14.1,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:C:1003,valid,Kd,=,14.1,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,147:D:1004,valid,Kd,=,14.1,uM,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:C:903,Part of Protein,,,,,[Ca+2],
,,,CA:D:904,Part of Protein,,,,,[Ca+2],
,,5MIH,,,,,,,
,,,7NU:C:201,valid,ic50,=,64,uM,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O,
,,,7NU:B:201,valid,ic50,=,64,uM,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O,
,,,7NU:A:201,valid,ic50,=,64,uM,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O,
,,,7NU:D:201,valid,ic50,=,64,uM,c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)[C@H]3CO3)O)O)O,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,ETE:C:202,invalid,,,,,COCCOCCOCCOCCO,
,,4LK7,,,,,,,
,,,04G GAL:D:202,valid,Kd,=,9.1,uM,O(c1cc2Oc3c(Nc2cc1)ccc(O)c3)C1C(O)C(O)C(O)C(CO)O1,
,,,04G GAL:C:202,valid,Kd,=,9.1,uM,O(c1cc2Oc3c(Nc2cc1)ccc(O)c3)C1C(O)C(O)C(O)C(CO)O1,
,,,04G GAL:B:202,valid,Kd,=,9.1,uM,O(c1cc2Oc3c(Nc2cc1)ccc(O)c3)C1C(O)C(O)C(O)C(CO)O1,
,,,04G GAL:A:202,valid,Kd,=,9.1,uM,O(c1cc2Oc3c(Nc2cc1)ccc(O)c3)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,3ZYH,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,G0S LYS PRO LEU NH2:I:1,valid,Kd,=,51.5,uM,,
,,,G0S LYS PRO LEU NH2:J:1,valid,Kd,=,51.5,uM,,
,,4LKD,,,,,,,
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:F:202,Part of Protein,,,,,[Ca+2],
,,,GAL GLN ARG SER ALA PHB:G:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:H:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:B:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:F:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:A:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:D:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:E:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,,GAL GLN ARG SER ALA PHB:C:201,valid,Kd,=,4.5,uM,O=C(NCC=O)C([NH2+]C(O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)CCC(=O)N,
,,1OKO,,,,,,,
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:B:900,Part of Protein,,,,,[Ca+2],
,,,CA:C:900,Part of Protein,,,,,[Ca+2],
,,,CA:D:900,Part of Protein,,,,,[Ca+2],
,,,GAL:A:901,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:902,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:902,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:902,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:B:901,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:901,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:901,valid,Ka,=,34000,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MPD:A:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LKE,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,GAL TRP ARG ILE ALA PHB:D:201,valid,Kd,=,4.3,uM,O=C(NCC(=O)[NH3+])C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2,
,,,GAL TRP ARG ILE ALA PHB:B:201,valid,Kd,=,4.3,uM,O=C(NCC(=O)[NH3+])C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2,
,,,GAL TRP ARG ILE ALA PHB:A:201,valid,Kd,=,4.3,uM,O=C(NCC(=O)[NH3+])C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2,
,,,GAL TRP ARG ILE ALA PHB:C:201,valid,Kd,=,4.3,uM,O=C(NCC(=O)[NH3+])C(NC(=O)c1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1)Cc1c2c([nH]c1)cccc2,
,,2WYF,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:C:200,Part of Protein,,,,,[Ca+2],
,,,CA:D:200,Part of Protein,,,,,[Ca+2],
,,,CA:E:200,Part of Protein,,,,,[Ca+2],
,,,CA:F:200,Part of Protein,,,,,[Ca+2],
,,,CA:G:200,Part of Protein,,,,,[Ca+2],
,,,CA:H:200,Part of Protein,,,,,[Ca+2],
,,,GLA:B:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MBG GLA:N:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:K:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:I:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:M:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:L:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:J:1,valid,Kd,=,37,uM,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,3ZYB,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:201,Part of Protein,,,,,[Ca+2],
,,,GAL LYS PRO LEU NH2 PHB:B:202,valid,Kd,=,4.2,uM,O=C([NH3+])C(NC(=O)C1N(C(=O)C(NC(=O)c2ccc(OC3C(O)C(O)C(O)C(CO)O3)cc2)CCCC[NH3+])CCC1)CC(C)C,
,,,GAL LYS PRO LEU NH2 PHB:F:202,valid,Kd,=,4.2,uM,O=C([NH3+])C(NC(=O)C1N(C(=O)C(NC(=O)c2ccc(OC3C(O)C(O)C(O)C(CO)O3)cc2)CCCC[NH3+])CCC1)CC(C)C,
,,,GAL LYS PRO LEU NH2 PHB:A:202,valid,Kd,=,4.2,uM,O=C([NH3+])C(NC(=O)C1N(C(=O)C(NC(=O)c2ccc(OC3C(O)C(O)C(O)C(CO)O3)cc2)CCCC[NH3+])CCC1)CC(C)C,
,,,GAL PHB:G:202,valid,,,,,O=Cc1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,,GAL PHB:E:202,valid,,,,,O=Cc1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,,GAL PHB:C:202,valid,,,,,O=Cc1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,,GAL PHB:H:202,valid,,,,,O=Cc1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,,GAL PHB:D:202,valid,,,,,O=Cc1ccc(OC2C(O)C(O)C(O)C(CO)O2)cc1,
,,6YO3,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,PGE:D:401,invalid,,,,,C(COCCOCCO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,P3K:C:202,valid,Kd,=,1.11,mM,c1cc(c(c(c1)O)O)C#N,
,,,P3K:A:202,valid,Kd,=,1.11,mM,c1cc(c(c(c1)O)O)C#N,
,,,P6G:B:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:C:203,invalid,,,,,C(COCCOCCOCCO)O,
,,4YW7,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:O:900,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:J:900,Part of Protein,,,,,[Ca+2],
,,,CA:K:900,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:L:900,Part of Protein,,,,,[Ca+2],
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:I:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:900,Part of Protein,,,,,[Ca+2],
,,,CA:N:900,Part of Protein,,,,,[Ca+2],
,,,CA:H:900,Part of Protein,,,,,[Ca+2],
,,,CA:M:900,Part of Protein,,,,,[Ca+2],
,,,CA:E:900,Part of Protein,,,,,[Ca+2],
,,,CA:P:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:900,Part of Protein,,,,,[Ca+2],
,,,4J0:C:201,valid,Kd,=,130,nM,c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O,
,,,4J0:I:202,valid,Kd,=,130,nM,c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)c3cn(nn3)[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)n5cc(nn5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)n7cc(nn7)CCCO[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)CO)CO)CCCO[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O,
,,,GAL:D:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:K:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:J:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:O:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:N:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:L:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:901,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4YW6,,,,,,,
,,,CA:D:901,Part of Protein,,,,,[Ca+2],
,,,CA:C:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,G0P:A:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,G0P:B:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,G0P:C:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,G0P:D:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,4AL9,,,,,,,
,,,CA:E:1122,Part of Protein,,,,,[Ca+2],
,,,CA:H:1123,Part of Protein,,,,,[Ca+2],
,,,CA:A:1122,Part of Protein,,,,,[Ca+2],
,,,CA:G:1122,Part of Protein,,,,,[Ca+2],
,,,CA:D:1122,Part of Protein,,,,,[Ca+2],
,,,CA:F:1123,Part of Protein,,,,,[Ca+2],
,,,CA:B:1122,Part of Protein,,,,,[Ca+2],
,,,CA:C:1122,Part of Protein,,,,,[Ca+2],
,,,EDO:F:1126,invalid,,,,,C(CO)O,
,,,EDO:A:1124,invalid,,,,,C(CO)O,
,,,EDO:H:1122,invalid,,,,,C(CO)O,
,,,EDO:D:1124,invalid,,,,,C(CO)O,
,,,EDO:F:1122,invalid,,,,,C(CO)O,
,,,GLA:C:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:G:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:1123,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLA:I:1,valid,Kd,=,38.8,uM,,
,,,GLC GLA:J:1,valid,Kd,=,38.8,uM,,
,Family. Representative Entry is ,4AML,,,,,,,
,,,GOL:A:1174,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1173,invalid,,,,,C(C(CO)O)O,
,,,GYU:A:1172,valid,,,,,CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C,
,,,GYU:A:1173,valid,,,,,CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C,
,,,GYU:B:1171,valid,,,,,CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C,
,,,GYU:B:1172,valid,,,,,CCCNC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C,
,Family. Representative Entry is ,1SBR,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,VIB:A:501,valid,Kd,~,10,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:A:502,valid,Kd,~,10,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:503,valid,Kd,~,10,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:504,valid,Kd,~,10,uM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,Family. Representative Entry is ,1O9W,,,,,,,
,,,NAG:A:1177,valid,Kd,=,1.18,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1ZPL,,,,,,,
,,,MAG:A:700,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O,
,,,MAG:B:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O)O,
,,2BS8,,,,,,,
,,,NAG:A:1177,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2BSC,,,,,,,
,,,NAG:A:1176,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2BSB,,,,,,,
,,,NAG:A:1177,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1ZK5,,,,,,,
,,,NAG:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1O9V,,,,,,,
,,,SNG:A:1177,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,2BS7,,,,,,,
,,,NAG NAG:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1OIO,,,,,,,
,,,NAG:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1B7A,,,,,,,
,,,OPE:A:1501,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:B:2501,valid,,,,,C(COP(=O)(O)O)N,
,Family. Representative Entry is ,1UKG,,,,,,,
,,,CA:A:1262,Part of Protein,,,,,[Ca+2],
,,,CA:B:2262,Part of Protein,,,,,[Ca+2],
,,,MMA:A:1251,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:2251,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:261,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6LFJ,,,,,,,
,,,MAN IPD MAN:A:303,valid,Kd,=,140,uM,P(=O)(OC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(O)C1OC1C(O)C(O)C(O)C(CO)O1)([O-])[O-],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,B3P:A:302,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,IPD MAN:B:302,valid,,,,,P(=O)(OC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(O)C1O)([O-])[O-],
,Family. Representative Entry is ,6EPY,,,,,,,
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CA:A:745,Part of Protein,,,,,[Ca+2],
,,,CA:A:746,invalid,,,,,[Ca+2],
,,,CA:B:735,Part of Protein,,,,,[Ca+2],
,,,CA:C:705,Part of Protein,,,,,[Ca+2],
,,,CA:A:723,Part of Protein,,,,,[Ca+2],
,,,CA:A:720,invalid,,,,,[Ca+2],
,,,CA:B:716,invalid,,,,,[Ca+2],
,,,CA:B:725,invalid,,,,,[Ca+2],
,,,CA:C:706,invalid,,,,,[Ca+2],
,,,CA:B:717,invalid,,,,,[Ca+2],
,,,CA:A:741,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:733,invalid,,,,,[Ca+2],
,,,CA:C:715,invalid,,,,,[Ca+2],
,,,CA:A:708,invalid,,,,,[Ca+2],
,,,CA:A:748,invalid,,,,,[Ca+2],
,,,CA:A:729,invalid,,,,,[Ca+2],
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,CA:A:747,Part of Protein,,,,,[Ca+2],
,,,CA:A:752,Part of Protein,,,,,[Ca+2],
,,,CA:C:729,invalid,,,,,[Ca+2],
,,,CA:B:706,Part of Protein,,,,,[Ca+2],
,,,CA:A:704,invalid,,,,,[Ca+2],
,,,CA:A:750,Part of Protein,,,,,[Ca+2],
,,,CA:B:705,invalid,,,,,[Ca+2],
,,,CA:B:711,invalid,,,,,[Ca+2],
,,,CA:C:728,Part of Protein,,,,,[Ca+2],
,,,CA:C:709,invalid,,,,,[Ca+2],
,,,CA:D:705,Part of Protein,,,,,[Ca+2],
,,,CA:D:712,Part of Protein,,,,,[Ca+2],
,,,CA:D:708,invalid,,,,,[Ca+2],
,,,CA:C:710,Part of Protein,,,,,[Ca+2],
,,,CA:B:720,invalid,,,,,[Ca+2],
,,,CA:A:740,Part of Protein,,,,,[Ca+2],
,,,CA:C:720,Part of Protein,,,,,[Ca+2],
,,,CA:C:712,invalid,,,,,[Ca+2],
,,,CA:B:707,invalid,,,,,[Ca+2],
,,,CA:B:734,Part of Protein,,,,,[Ca+2],
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:736,invalid,,,,,[Ca+2],
,,,CA:B:713,Part of Protein,,,,,[Ca+2],
,,,CA:C:711,Part of Protein,,,,,[Ca+2],
,,,CA:A:726,Part of Protein,,,,,[Ca+2],
,,,CA:D:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:719,Part of Protein,,,,,[Ca+2],
,,,CA:A:749,Part of Protein,,,,,[Ca+2],
,,,CA:A:738,invalid,,,,,[Ca+2],
,,,CA:C:722,Part of Protein,,,,,[Ca+2],
,,,CA:B:708,invalid,,,,,[Ca+2],
,,,CA:B:724,invalid,,,,,[Ca+2],
,,,CA:A:722,invalid,,,,,[Ca+2],
,,,CA:A:728,invalid,,,,,[Ca+2],
,,,CA:C:723,Part of Protein,,,,,[Ca+2],
,,,CA:A:709,invalid,,,,,[Ca+2],
,,,CA:C:718,Part of Protein,,,,,[Ca+2],
,,,CA:C:716,Part of Protein,,,,,[Ca+2],
,,,CA:B:722,invalid,,,,,[Ca+2],
,,,CA:C:719,Part of Protein,,,,,[Ca+2],
,,,CA:B:712,invalid,,,,,[Ca+2],
,,,CA:B:729,Part of Protein,,,,,[Ca+2],
,,,CA:C:708,invalid,,,,,[Ca+2],
,,,CA:A:713,Part of Protein,,,,,[Ca+2],
,,,CA:A:735,invalid,,,,,[Ca+2],
,,,CA:A:737,invalid,,,,,[Ca+2],
,,,CA:A:716,invalid,,,,,[Ca+2],
,,,CA:A:714,invalid,,,,,[Ca+2],
,,,CA:C:717,Part of Protein,,,,,[Ca+2],
,,,CA:D:715,Part of Protein,,,,,[Ca+2],
,,,CA:B:732,Part of Protein,,,,,[Ca+2],
,,,CA:D:710,invalid,,,,,[Ca+2],
,,,CA:A:715,invalid,,,,,[Ca+2],
,,,CA:D:709,invalid,,,,,[Ca+2],
,,,CA:A:712,invalid,,,,,[Ca+2],
,,,CA:D:713,invalid,,,,,[Ca+2],
,,,CA:A:734,Part of Protein,,,,,[Ca+2],
,,,CA:A:725,invalid,,,,,[Ca+2],
,,,CA:A:731,invalid,,,,,[Ca+2],
,,,CA:A:721,invalid,,,,,[Ca+2],
,,,CA:C:713,invalid,,,,,[Ca+2],
,,,CA:B:721,Part of Protein,,,,,[Ca+2],
,,,CA:A:743,invalid,,,,,[Ca+2],
,,,CA:D:714,Part of Protein,,,,,[Ca+2],
,,,CA:D:711,invalid,,,,,[Ca+2],
,,,CA:C:721,invalid,,,,,[Ca+2],
,,,CA:A:730,invalid,,,,,[Ca+2],
,,,CA:B:730,Part of Protein,,,,,[Ca+2],
,,,CA:B:727,Part of Protein,,,,,[Ca+2],
,,,CA:A:711,invalid,,,,,[Ca+2],
,,,CA:A:751,Part of Protein,,,,,[Ca+2],
,,,CA:C:714,Part of Protein,,,,,[Ca+2],
,,,CA:D:704,Part of Protein,,,,,[Ca+2],
,,,CA:A:742,invalid,,,,,[Ca+2],
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CA:A:718,Part of Protein,,,,,[Ca+2],
,,,CA:B:731,Part of Protein,,,,,[Ca+2],
,,,CA:A:739,invalid,,,,,[Ca+2],
,,,CA:C:707,invalid,,,,,[Ca+2],
,,,CA:B:723,invalid,,,,,[Ca+2],
,,,CA:B:709,Part of Protein,,,,,[Ca+2],
,,,CA:D:706,Part of Protein,,,,,[Ca+2],
,,,CA:B:704,Part of Protein,,,,,[Ca+2],
,,,CA:B:726,Part of Protein,,,,,[Ca+2],
,,,CA:A:727,invalid,,,,,[Ca+2],
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,CA:B:719,invalid,,,,,[Ca+2],
,,,CA:A:744,invalid,,,,,[Ca+2],
,,,CA:C:724,Part of Protein,,,,,[Ca+2],
,,,CA:A:724,invalid,,,,,[Ca+2],
,,,CA:B:715,invalid,,,,,[Ca+2],
,,,CA:B:710,invalid,,,,,[Ca+2],
,,,CA:C:703,invalid,,,,,[Ca+2],
,,,CA:C:726,invalid,,,,,[Ca+2],
,,,CA:B:737,Part of Protein,,,,,[Ca+2],
,,,CA:A:707,Part of Protein,,,,,[Ca+2],
,,,CA:A:732,invalid,,,,,[Ca+2],
,,,CA:C:727,Part of Protein,,,,,[Ca+2],
,,,CA:D:707,invalid,,,,,[Ca+2],
,,,CA:B:718,invalid,,,,,[Ca+2],
,,,CA:B:728,Part of Protein,,,,,[Ca+2],
,,,CA:A:733,invalid,,,,,[Ca+2],
,,,CA:B:714,invalid,,,,,[Ca+2],
,,,CA:B:736,Part of Protein,,,,,[Ca+2],
,,,CA:A:717,invalid,,,,,[Ca+2],
,,,CA:C:725,invalid,,,,,[Ca+2],
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:C:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,FRU GLC GLA:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4AZP,,,,,,,
,,,A9M:A:1136,valid,Ki,=,1.26,uM,CCCCCCCCCCCCCCCCCCCC(=O)NCCO,
,,,CL:A:1137,invalid,,,,,[Cl-],
,,4AZQ,,,,,,,
,,,CL:A:1137,invalid,,,,,[Cl-],
,,,G2A:A:1136,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,
,Family. Representative Entry is ,2XFE,,,,,,,
,,,CA:A:1113,Part of Protein,,,,,[Ca+2],
,,,CA:A:1114,Part of Protein,,,,,[Ca+2],
,,,GAL GAL:B:1,valid,Ka,=,13400,M^-1,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,2XFD,,,,,,,
,,,CA:A:1111,Part of Protein,,,,,[Ca+2],
,,,CA:A:1112,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1114,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3OYW,,,,,,,
,,,YIO GAL:F:1,valid,Kd,=,78,uM,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:E:1,valid,Kd,=,78,uM,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,2ZKN,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3T2T,,,,,,,
,,,MQT:A:135,valid,,,,,Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)C)OC)CO)O,
,,3OY8,,,,,,,
,,,GCO GAL:D:1,valid,Kd,=,220,uM,O=C([O-])C(O)C(O)C(OC1C(O)C(O)C(O)C(CO)O1)C(O)CO,
,,,GCO GAL:C:1,valid,Kd,=,220,uM,O=C([O-])C(O)C(O)C(OC1C(O)C(O)C(O)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,4PJ3,,,,,,,
,,,ANP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1503,invalid,,,,,[Mg+2],
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3IIS,,,,,,,
,,,CD:M:151,invalid,,,,,[Cd+2],
,,,CD:M:152,invalid,,,,,[Cd+2],
,,,CD:M:153,invalid,,,,,[Cd+2],
,,,CD:M:154,invalid,,,,,[Cd+2],
,,,CL:M:158,invalid,,,,,[Cl-],
,,,CL:M:159,invalid,,,,,[Cl-],
,,,CL:M:160,invalid,,,,,[Cl-],
,,,CL:M:161,invalid,,,,,[Cl-],
,,,CL:M:162,invalid,,,,,[Cl-],
,,,CLA:M:601,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,J7Z:M:615,invalid,,,,,CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=CC/C=CC/C=CC/C=CC/C=CCC,
,,,K:M:155,Part of Protein,,,,,[K+],
,,,K:M:156,Part of Protein,,,,,[K+],
,,,K:M:157,Part of Protein,,,,,[K+],
,,,PID:M:611,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:612,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:613,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:614,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,2X21,,,,,,,
,,,BCL:M:601,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,CD:M:1151,invalid,,,,,[Cd+2],
,,,CD:M:1152,invalid,,,,,[Cd+2],
,,,CD:M:1153,invalid,,,,,[Cd+2],
,,,CD:M:1154,invalid,,,,,[Cd+2],
,,,CD:M:1155,invalid,,,,,[Cd+2],
,,,CD:M:1156,invalid,,,,,[Cd+2],
,,,CD:M:1157,invalid,,,,,[Cd+2],
,,,CL:M:1158,invalid,,,,,[Cl-],
,,,CL:M:1159,invalid,,,,,[Cl-],
,,,CL:M:1160,invalid,,,,,[Cl-],
,,,CL:M:1161,invalid,,,,,[Cl-],
,,,CL:M:1162,invalid,,,,,[Cl-],
,,,CL:M:1163,invalid,,,,,[Cl-],
,,,CL:M:1164,invalid,,,,,[Cl-],
,,,DGD:M:615,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,K:M:1165,Part of Protein,,,,,[K+],
,,,K:M:1166,Part of Protein,,,,,[K+],
,,,K:M:1167,Part of Protein,,,,,[K+],
,,,K:M:1168,Part of Protein,,,,,[K+],
,,,NA:M:1169,Part of Protein,,,,,[Na+],
,,,PEG:M:1170,invalid,,,,,C(COCCO)O,
,,,PID:M:611,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:612,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:613,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:614,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,2X20,,,,,,,
,,,CD:M:1151,invalid,,,,,[Cd+2],
,,,CD:M:1152,invalid,,,,,[Cd+2],
,,,CD:M:1153,invalid,,,,,[Cd+2],
,,,CD:M:1154,invalid,,,,,[Cd+2],
,,,CD:M:1155,invalid,,,,,[Cd+2],
,,,CD:M:1156,invalid,,,,,[Cd+2],
,,,CHL:M:601,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CL:M:1157,invalid,,,,,[Cl-],
,,,CL:M:1158,invalid,,,,,[Cl-],
,,,CL:M:1159,invalid,,,,,[Cl-],
,,,DGD:M:615,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,K:M:1160,Part of Protein,,,,,[K+],
,,,NA:M:1161,Part of Protein,,,,,[Na+],
,,,PEG:M:1162,invalid,,,,,C(COCCO)O,
,,,PID:M:611,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:612,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:613,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:614,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,3IIU,,,,,,,
,,,CD:M:151,invalid,,,,,[Cd+2],
,,,CD:M:152,invalid,,,,,[Cd+2],
,,,CD:M:153,invalid,,,,,[Cd+2],
,,,CD:M:154,invalid,,,,,[Cd+2],
,,,CD:M:155,invalid,,,,,[Cd+2],
,,,CL:M:156,invalid,,,,,[Cl-],
,,,CL:M:157,invalid,,,,,[Cl-],
,,,CL:M:158,invalid,,,,,[Cl-],
,,,CL:M:159,invalid,,,,,[Cl-],
,,,CLA:M:601,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,J7Z:M:615,invalid,,,,,CC/C=CC/C=CC/C=CC/C=CC/C=CCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=CC/C=CC/C=CC/C=CC/C=CCC,
,,,PID:M:611,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:612,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:613,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:614,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,2X1Z,,,,,,,
,,,CD:M:1171,invalid,,,,,[Cd+2],
,,,CD:M:1172,invalid,,,,,[Cd+2],
,,,CD:M:1173,invalid,,,,,[Cd+2],
,,,CD:M:1174,invalid,,,,,[Cd+2],
,,,CD:M:1175,invalid,,,,,[Cd+2],
,,,CD:M:1176,invalid,,,,,[Cd+2],
,,,CL:M:1161,invalid,,,,,[Cl-],
,,,CL:M:1162,invalid,,,,,[Cl-],
,,,CL:M:1166,invalid,,,,,[Cl-],
,,,CL:M:1167,invalid,,,,,[Cl-],
,,,CL7:M:1151,invalid,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56N2C1=Cc7n5c8c(c7C)C(=O)[C@@H](C8=C9N6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C(=O)OC)C)C=O)C,
,,,DGD:M:1152,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,NA:M:1163,Part of Protein,,,,,[Na+],
,,,NA:M:1164,Part of Protein,,,,,[Na+],
,,,PEG:M:1165,invalid,,,,,C(COCCO)O,
,,,PID:M:611,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:612,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:613,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:M:614,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,Family. Representative Entry is ,4MMP,,,,,,,
,,,SLB:A:401,valid,Kd,=,19.7,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3X00,,,,,,,
,,,ZOF ZOF EDN:D:201,valid,Kd,=,0.83,nM,O=C(NCCNC(=O)CCCCCNC(=O)CCCCC1SCC2[NH2+]C([NH3+])[NH2+]C12)CC=CCCNC(=O)CCCCC1SCC2N=C(N)NC12,
,,,ZOF EDN ZOF:B:201,valid,Kd,=,0.83,nM,O=C(NCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(N)=NC12)CCCCCNC(=O)CCCCC1SCC2[NH2+]C([NH3+])[NH2+]C12,
,,3WZQ,,,,,,,
,,,P6G:D:1002,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1002,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZOF:C:1001,valid,Kd,=,0.000000064,M,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:D:1001,valid,Kd,=,0.000000064,M,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:B:1001,valid,Kd,=,0.000000064,M,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,,,ZOF:A:1001,valid,Kd,=,0.000000064,M,[H]/N=C/1N[C@H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O)O,
,Family. Representative Entry is ,6G7N,,,,,,,
,,,DGL:A:402,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:402,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,DAL:B:401,valid,,,,,C[C@H](C(=O)O)N,
,,,DAL:A:401,valid,,,,,C[C@H](C(=O)O)N,
,,6G7Q,,,,,,,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,FE:A:401,invalid,,,,,[Fe+3],
,,,FLC:A:402,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:403,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3VHH,,,,,,,
,,,NAG:A:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VHH:A:1124,valid,Ka,=,400000000,M^-1,CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O,
,,,VHH:B:1124,valid,Ka,=,400000000,M^-1,CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O,
,,,VHH:C:1124,valid,Ka,=,400000000,M^-1,CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O,
,,,VHH:D:1124,valid,Ka,=,400000000,M^-1,CN1[C@H]2CS[C@H]([C@H]2N(C1=O)C)CCCCC(=O)O,
,,2A5B,,,,,,,
,,,8HG:A:255,valid,Kd,=,117,uM,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3VHM,,,,,,,
,,,NAG:A:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NPK:A:1124,valid,Ka,=,15000,M^-1,C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O,
,,,NPK:B:1124,valid,Ka,=,15000,M^-1,C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O,
,,,NPK:C:1124,valid,Ka,=,15000,M^-1,C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O,
,,,NPK:D:1124,valid,Ka,=,15000,M^-1,C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5IRU,,,,,,,
,,,B9P:A:202,valid,,,,,c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6,
,,,B9P:B:202,valid,,,,,c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6,
,,,B9P:D:202,valid,,,,,c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6,
,,,B9P:C:202,valid,,,,,c1cc2ccc3ccc(c4c3c2c(c1)cc4)C(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1LDO,,,,,,,
,,,SNR:A:150,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2,
,,,SNR:B:350,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2,
,,,NAG:A:151,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:352,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2A5C,,,,,,,
,,,8DA:A:303,valid,Kd,=,24,uM,C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O,
,,,8DA:B:201,valid,Kd,=,24,uM,C1[C@H]([C@@H](O[C@@H]1N2C3=NCNC(=C3NC2=O)N)CO)O,
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3VGW,,,,,,,
,,,NAG:A:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NVZ:A:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:B:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:C:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:D:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:E:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:F:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:G:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,NVZ:H:1124,valid,Ka,=,200000,M^-1,CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC(=O)O,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IJ8,,,,,,,
,,,BNI:A:501,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,BNI:B:502,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[N+](=O)[O-],
,,,NAG:A:401,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3VHI,,,,,,,
,,,NAG:A:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1125,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VHI:A:1124,valid,Ka,=,2300000,M^-1,c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O,
,,,VHI:B:1124,valid,Ka,=,2300000,M^-1,c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O,
,,,VHI:C:1124,valid,Ka,=,2300000,M^-1,c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O,
,,,VHI:D:1124,valid,Ka,=,2300000,M^-1,c1ccc(cc1)COC(=O)N2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O,
,,2A8G,,,,,,,
,,,GNG:B:201,valid,Kd,=,205,uM,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)NC(=NC2=O)N,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4I60,,,,,,,
,,,B1R:A:203,valid,Kd,=,1.87,uM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)C34C5=C6[Ru]5378913(C6=C74)C4C8=C9C1=C34)NC(=O)N2,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5IRW,,,,,,,
,,,D9P:D:202,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5,
,,,D9P:B:202,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5,
,,,D9P:A:202,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5,
,,,D9P:C:202,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)c2ccc3ccc4cccc5c4c3c2cc5,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2GNM,,,,,,,
,,,CA:A:254,Part of Protein,,,,,[Ca+2],
,,,CA:B:253,Part of Protein,,,,,[Ca+2],
,,,MAN:A:253,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:255,Part of Protein,,,,,[Mn+2],
,,,MN:B:254,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1WS5,,,,,,,
,,,MMA:A:501,valid,Ka,=,0.00108,M^-1,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:502,valid,Ka,=,0.00108,M^-1,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:E:503,valid,Ka,=,0.00108,M^-1,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:G:504,valid,Ka,=,0.00108,M^-1,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1BCJ,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:227,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,NGA:1:1,valid,Kd,=,0.2,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:2:1,valid,Kd,=,0.2,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:3:1,valid,Kd,=,0.2,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,1AFB,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:2:1,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:1,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,NGA:1:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:2:2,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:3:3,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,1KWW,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,MFU:A:501,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:701,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,1KX0,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CA:C:705,Part of Protein,,,,,[Ca+2],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:C:706,invalid,,,,,[Cl-],
,,,MAN:D:1,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:2,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,1KWY,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CA:C:705,Part of Protein,,,,,[Ca+2],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:C:706,invalid,,,,,[Cl-],
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,1FIH,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:C:2,Part of Protein,,,,,[Ca+2],
,,,CA:C:3,Part of Protein,,,,,[Ca+2],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CL:B:416,invalid,,,,,[Cl-],
,,,CL:C:417,invalid,,,,,[Cl-],
,,,NGA:A:227,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:227,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:C:227,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:C:228,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,4KMB,,,,,,,
,,,CA:1:1,Part of Protein,,,,,[Ca+2],
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:1:4,Part of Protein,,,,,[Ca+2],
,,,CA:1:5,Part of Protein,,,,,[Ca+2],
,,,CA:2:1,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:1,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:6,invalid,,,,,[Cl-],
,,,CL:2:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,FUC:2:222,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:3:222,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,ZN:1:7,Part of Protein,,,,,[Zn+2],
,,,MAG FUC G4S:A:1,valid,,,,,S(=O)(=O)(OC1C(O)C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(OC)OC2CO)OC1CO)[O-],
,,,MAG FUC G4S:B:1,valid,,,,,S(=O)(=O)(OC1C(O)C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(OC)OC2CO)OC1CO)[O-],
,,1BCH,,,,,,,
,,,A2G:1:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:227,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:4,invalid,,,,,[Cl-],
,,,CL:2:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,NA:2:5,Part of Protein,,,,,[Na+],
,,,NGA:2:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:3:1,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,1KWV,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1KWX,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,MFB:A:501,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O,
,,,MFB:B:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O,
,,,MFB:C:701,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O,
,,1KWU,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,MMA:A:501,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:601,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:701,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,1KWZ,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:C:704,Part of Protein,,,,,[Ca+2],
,,,CA:C:705,Part of Protein,,,,,[Ca+2],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:C:706,invalid,,,,,[Cl-],
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,1AFA,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:2:1,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CA:3:1,Part of Protein,,,,,[Ca+2],
,,,CA:3:227,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,MBG:1:1,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MBG:2:3,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MBG:3:2,valid,,,,,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,3KMB,,,,,,,
,,,CA:1:1,Part of Protein,,,,,[Ca+2],
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:1:4,Part of Protein,,,,,[Ca+2],
,,,CA:2:1,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:1,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:5,invalid,,,,,[Cl-],
,,,CL:2:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,FUC:2:222,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG FUC SGA:B:1,valid,,,,,,
,,,MAG FUC SGA:A:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(OC)OC2CO)OC(CO)C1O)[O-],
,,2KMB,,,,,,,
,,,CA:1:1,Part of Protein,,,,,[Ca+2],
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:3,Part of Protein,,,,,[Ca+2],
,,,CA:1:4,Part of Protein,,,,,[Ca+2],
,,,CA:2:1,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:3,Part of Protein,,,,,[Ca+2],
,,,CA:3:1,Part of Protein,,,,,[Ca+2],
,,,CA:3:2,Part of Protein,,,,,[Ca+2],
,,,CA:3:3,Part of Protein,,,,,[Ca+2],
,,,CL:1:5,invalid,,,,,[Cl-],
,,,CL:2:4,invalid,,,,,[Cl-],
,,,CL:3:4,invalid,,,,,[Cl-],
,,,NAG GAL SIA FUC:C:1,valid,,,,,,
,,,MAG FUC GAL SIA:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1OC)C,
,,,MAG GAL SIA FUC:B:1,valid,,,,,,
,Family. Representative Entry is ,1EN2,,,,,,,
,,,NAG NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,,1ENM,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,5KLE,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,Ka,=,4300,M^-1,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,5KLF,,,,,,,
,,,GD:A:111,invalid,,,,,[Gd],
,,,GD:A:106,invalid,,,,,[Gd],
,,,GD:A:105,invalid,,,,,[Gd],
,,,GD:A:107,invalid,,,,,[Gd],
,,,GD:A:110,invalid,,,,,[Gd],
,,,GD:A:109,invalid,,,,,[Gd],
,,,GD:A:102,invalid,,,,,[Gd],
,,,GD:A:103,invalid,,,,,[Gd],
,,,GD:A:112,invalid,,,,,[Gd],
,,,GD:A:108,invalid,,,,,[Gd],
,,,GD:A:104,invalid,,,,,[Gd],
,,,GD:A:113,invalid,,,,,[Gd],
,,,BGC BGC BGC BGC BGC:B:1,valid,Ka,=,4300,M^-1,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,5YK1,,,,,,,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5YK0,,,,,,,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6VJL,,,,,,,
,,,BTN:A:400,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2QCB,,,,,,,
,,,KYS:A:400,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N@@]4CCN[Ru]456789([CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]91)Cl,
,,5IRA,,,,,,,
,,,9RU:A:201,valid,,,,,Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C,
,,5F2B,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9RU:A:201,valid,,,,,Cc1cc(c(c(c1)C)N2CC[N+](=C2[Ru](Cl)Cl)c3c(cc(cc3C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C)C,
,,4OKA,,,,,,,
,,,5IR:A:400,valid,,,,,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)[N-]4CC[NH2][Ir+3]4,
,,,IR:A:401,invalid,,,,,[Ir+4],
,,6AUL,,,,,,,
,,,BTN:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,4GJV,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,0OD:A:400,valid,,,,,CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C,
,,6ESU,,,,,,,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,IR:A:401,invalid,,,,,[Ir+4],
,,,IR:A:404,invalid,,,,,[Ir+4],
,,,IR:A:402,invalid,,,,,[Ir+4],
,,,IR:A:403,invalid,,,,,[Ir+4],
,,,6IR:A:400,valid,Ki,=,249.3,mM,c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)S(=O)(=O)NCCN,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GJS,,,,,,,
,,,0OD:B:400,valid,,,,,CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C,
,,,0OD:A:400,valid,,,,,CC12=C3([Rh+]145(C2(=C4(C53C)CCNC(=O)CCCCC6C7C(CS6)NC(=O)N7)C)(Cl)(Cl)Cl)C,
,,2WPU,,,,,,,
,,,GOL:A:1136,invalid,,,,,C(C(CO)O)O,
,,,KYT:A:400,valid,Kd,<,60,nM,CC1=[CH]2C=C3([Ru+]24([CH]1=C3)([NH2][C@@H]5CN(C[C@H]5[NH2]4)C(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)Cl)C(C)C,
,,,SO4:A:1135,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PK2,,,,,,,
,,,4IR:A:400,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,IR3:A:500,invalid,,,,,[Ir+3],
,,,IR3:A:601,invalid,,,,,[Ir+3],
,,6ESS,,,,,,,
,,,4IR:A:400,valid,,,,,C[CH]12[CH]3([Ir+2]1456([CH]2(C4(=C53C)C)C)([NH2]CC[NH]6S(=O)(=O)c7ccc(cc7)NC(=O)CCCC[C@H]8[C@@H]9[C@H](CS8)NC(=O)N9)Cl)C,
,,,IR:A:401,invalid,,,,,[Ir+4],
,,,IR:A:402,invalid,,,,,[Ir+4],
,,,IR:A:403,invalid,,,,,[Ir+4],
,Family. Representative Entry is ,6BYM,,,,,,,
,,,HC3:A:301,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,HC3:B:301,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,5LA1,,,,,,,
,,,144:A:607,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:606,invalid,,,,,C[N+](CO)(CO)CO,
,,,144:A:608,invalid,,,,,C[N+](CO)(CO)CO,
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,XYP:A:601,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:A:602,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,5LA0,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ARA:A:605,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARA:A:606,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,5LA2,,,,,,,
,,,ARB:B:606,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,ARB:A:606,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:609,Part of Protein,,,,,[Ca+2],
,,,CA:A:609,Part of Protein,,,,,[Ca+2],
,,,CA:A:608,Part of Protein,,,,,[Ca+2],
,,,CA:B:608,Part of Protein,,,,,[Ca+2],
,,,CA:B:607,Part of Protein,,,,,[Ca+2],
,,,XYS AHR XYP XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)OCC1OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1)C1C(O)C(O)C(CO)O1,
,,,XYS AHR XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)OCC1OC1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2ZSC,,,,,,,
,,,BTN:A:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:1810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1813,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1810,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1811,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1812,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1813,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3287,invalid,,,,,C(C(CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3NHB,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BME:A:2,invalid,,,,,C(CS)O,
,,,PO4:A:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NHA,,,,,,,
,,,ADP:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BME:A:4,invalid,,,,,C(CS)O,
,,,BME:A:5,invalid,,,,,C(CS)O,
,,,MG:A:3,invalid,,,,,[Mg+2],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NH9,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BME:A:2,invalid,,,,,C(CS)O,
,,,BME:A:3,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,2PHU,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:A:253,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,BMA MAN MAN MAN MAN:C:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,3LEK,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,NI:A:191,Part of Protein,,,,,[Ni+2],
,,,NDG GAL FUC FUC:B:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,3LEG,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,NI:A:191,Part of Protein,,,,,[Ni+2],
,,,NAG FUC GAL FUC:B:1,valid,,,,,,
,,3LEI,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,FUC:A:1186,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NI:A:191,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,3M8U,,,,,,,
,,,GDS:A:1,valid,Kd,=,12.9,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MLI:A:2,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:3,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:4,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5D63,,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:319,Part of Protein,,,,,[Ca+2],
,,,PHQ VAL ALA ASP CF0:L:1,invalid,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,DMS:A:314,invalid,,,,,CS(=O)C,
,,,DMS:A:313,invalid,,,,,CS(=O)C,
,,,NA:A:320,Part of Protein,,,,,[Na+],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,,GAL FUC GLA:B:1,valid,,,,,,
,,5MU9,,,,,,,
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,CA:A:313,Part of Protein,,,,,[Ca+2],
,,,CA:A:314,Part of Protein,,,,,[Ca+2],
,,,CA:A:316,invalid,,,,,[Ca+2],
,,,E64:A:312,invalid,,,,,CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O,
,,,NA:A:315,Part of Protein,,,,,[Na+],
,,,GLA FUC GLA:C:1,valid,,,,,,
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GAL FUC GLA:B:1,valid,,,,,,
,,5D61,,,,,,,
,,,CA:A:315,Part of Protein,,,,,[Ca+2],
,,,CA:A:314,Part of Protein,,,,,[Ca+2],
,,,PHQ VAL ALA ASP CF0:L:1,invalid,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,NA:A:317,Part of Protein,,,,,[Na+],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,DMS:A:316,invalid,,,,,CS(=O)C,
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,,GAL FUC GLA:B:1,valid,,,,,,
,,5D62,,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:A:317,Part of Protein,,,,,[Ca+2],
,,,PHQ VAL ALA ASP CF0:L:1,invalid,,,,,,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,DMS:A:314,invalid,,,,,CS(=O)C,
,,,DMS:A:313,invalid,,,,,CS(=O)C,
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,,GAL FUC GLA:B:1,valid,,,,,,
,,3EF2,,,,,,,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,ACT:C:306,invalid,,,,,CC(=O)[O-],
,,,ACT:D:304,invalid,,,,,CC(=O)[O-],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:307,Part of Protein,,,,,[Ca+2],
,,,CA:C:308,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,GLA FUC GLA:J:1,valid,,,,,,
,,,GLA FUC GLA:G:1,valid,,,,,,
,,,GLA FUC GLA:P:1,valid,,,,,,
,,,GLA FUC GLA:M:1,valid,,,,,,
,,,GAL FUC GLA:F:1,valid,,,,,,
,,,GAL FUC GLA:O:1,valid,,,,,,
,,,GAL FUC GLA:I:1,valid,,,,,,
,,,GAL FUC GLA:L:1,valid,,,,,,
,,,GAL FUC GLA:E:1,valid,,,,,,
,,,GAL FUC GLA:H:1,valid,,,,,,
,,,GAL FUC GLA:N:1,valid,,,,,,
,,,GAL FUC GLA:K:1,valid,,,,,,
,,2IHO,,,,,,,
,,,NAG GAL GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4M00,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,MES:A:805,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3WG3,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,,,NAG GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,,NAG GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,3WG4,,,,,,,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,,,NAG GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,,NAG GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,3WG1,,,,,,,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4QYN,,,,,,,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,RTL:B:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,RTL:A:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,4QZU,,,,,,,
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:D:201,invalid,,,,,CC(=O)[O-],
,,,ACT:C:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,RTL:C:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,RTL:B:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,RTL:A:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,2RCT,,,,,,,
,,,RTL:A:140,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,SO4:A:151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:152,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TLA:A:150,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4QZT,,,,,,,
,,,RTL:C:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,RTL:A:201,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:C:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4WRI,,,,,,,
,,,OKA:A:201,valid,,,,,C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)C=C[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,
,Family. Representative Entry is ,3N7H,,,,,,,
,,,CL:A:131,invalid,,,,,[Cl-],
,,,CL:B:134,invalid,,,,,[Cl-],
,,,DE3:A:129,valid,Kd,=,31.3,uM,CCN(CC)C(=O)c1cccc(c1)C,
,,,DE3:B:132,valid,Kd,=,31.3,uM,CCN(CC)C(=O)c1cccc(c1)C,
,,,MG:A:126,invalid,,,,,[Mg+2],
,,,MG:A:132,invalid,,,,,[Mg+2],
,,,MOH:A:127,invalid,,,,,CO,
,,,MOH:A:128,invalid,,,,,CO,
,,,MOH:B:126,invalid,,,,,CO,
,,,MOH:B:127,invalid,,,,,CO,
,,,MOH:B:128,invalid,,,,,CO,
,,,MOH:B:129,invalid,,,,,CO,
,,,MOH:B:130,invalid,,,,,CO,
,,,MOH:B:131,invalid,,,,,CO,
,,,PEU:A:130,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PEU:B:133,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,4FQT,,,,,,,
,,,0VT:A:201,valid,,,,,CC(=CCCC(=O)C)C,
,,,0VT:B:202,valid,,,,,CC(=CCCC(=O)C)C,
,,,PG4:A:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:201,invalid,,,,,C(COCCOCCOCCO)O,
,,5EL2,,,,,,,
,,,KBR:A:203,valid,,,,,CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO,
,,,KBR:B:201,valid,,,,,CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO,
,,,KBR:A:202,valid,,,,,CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO,
,,,KBR:B:202,valid,,,,,CC[C@@H](C)OC(=O)N1CCCC[C@H]1CCO,
,,,MG:A:201,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3EW2,,,,,,,
,,,BTN:A:400,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:500,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:600,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:700,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:E:800,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:F:900,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:G:350,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,1WW5,,,,,,,
,,,BGC SGA:H:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:E:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:G:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:F:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,1WW4,,,,,,,
,,,GLC GLA SIA:F:1,valid,,,,,,
,,,BGC GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,1WW6,,,,,,,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2ZHL,,,,,,,
,,,NAG GAL NAG GAL:F:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL:E:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL:G:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL:H:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,2EAL,,,,,,,
,,,GAL NGA A2G:C:1,valid,,,,,O=C(NC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NGA A2G:D:1,valid,,,,,O=C(NC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,2ZHK,,,,,,,
,,,NAG GAL NAG GAL:C:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL:D:1,valid,Kd,=,3,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,2ZHN,,,,,,,
,,,NAG GAL NAG GAL NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,RPN:A:1168,invalid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,2ZHM,,,,,,,
,,,NAG GAL NAG GAL NAG GAL:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,RPN:A:1001,invalid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,,RPN:B:1008,invalid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,,GAL NAG GAL NAG GAL:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)OC(CO)C1O)C,
,,2EAK,,,,,,,
,,,DTV:A:278,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,GOL:B:279,invalid,,,,,C(C(CO)O)O,
,,,GLC GAL:D:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,3WLU,,,,,,,
,,,LSE:B:201,valid,,,,,C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O,
,,,LSE:A:201,valid,,,,,C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O,
,,,LSE:C:201,valid,,,,,C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O,
,,,LSE:D:201,valid,,,,,C[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C[Se]C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,2GTE,,,,,,,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VA:A:501,valid,,,,,CCCCCCC=C/CCCCCCCCCCOC(=O)C,
,,,VA:B:502,valid,,,,,CCCCCCC=C/CCCCCCCCCCOC(=O)C,
,Family. Representative Entry is ,3KIH,,,,,,,
,,,GDL:A:98,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:B:98,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:C:98,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:D:98,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,Family. Representative Entry is ,4UP4,,,,,,,
,,,GAL NAG:J:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:I:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:H:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:C:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:L:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:G:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:K:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:E:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:D:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:F:1,valid,Kd,=,110,uM,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,NDG:B:562,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:562,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NAG:A:563,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2C25,,,,,,,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,SIA:A:600,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:600,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BWM,,,,,,,
,,,CA:A:1401,Part of Protein,,,,,[Ca+2],
,,,CA:A:1402,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1410,invalid,,,,,C(C(CO)O)O,
,,,SNG:A:1403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,,SNG:A:1404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,,SNG:A:1405,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,,SNG:A:1406,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,,SNG:A:1407,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1[Se]C)CO)O)O,
,,,SO4:A:1408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1409,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5XFI,,,,,,,
,,,BEZ:A:1012,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1012,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,NAG NAG BMA MAN MAN NAG GAL NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC(COC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C1O)C,
,,,NAG NAG BMA MAN MAN NAG GAL NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC(COC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C1O)C,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:B:1011,invalid,,,,,C(CO)O,
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AV7,,,,,,,
,,,MMA MAN NAG MAN NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C,
,,,MMA MAN NAG MAN NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C,
,Family. Representative Entry is ,1KY3,,,,,,,
,,,GDP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,1KY2,,,,,,,
,,,GNP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1K9J,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,Family. Representative Entry is ,2FB3,,,,,,,
,,,5AD:A:501,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GTP:A:404,valid,Kd,=,0.29,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MET:A:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,POP:B:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FB2,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TV8,,,,,,,
,,,DTU:A:1502,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,SAM:A:1501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:2501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:1401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:2402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1Y1A,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,GSH:B:601,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2WT2,,,,,,,
,,,NO3:A:1686,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1687,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1688,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1686,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1687,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1688,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG GAL NAG GAL NAG GAL:D:1,valid,Kd,=,20,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG GAL NAG GAL:C:1,valid,Kd,=,20,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,2WT0,,,,,,,
,,,NO3:A:1686,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1687,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1688,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1689,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG GAL:B:1,valid,Kd,~,10,mM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,2WSV,,,,,,,
,,,NO3:A:1686,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1687,invalid,,,,,[N+](=O)([O-])[O-],
,,,GLC GAL:C:1,valid,Kd,~,100,mM,,
,,,GLC GAL:B:1,valid,Kd,~,100,mM,,
,,2WT1,,,,,,,
,,,NO3:A:1685,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1686,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1687,invalid,,,,,[N+](=O)([O-])[O-],
,,,BGC GAL NAG GAL:B:1,valid,Kd,=,200,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,6HDT,,,,,,,
,,,BTN:D:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:201,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,5H9Q,,,,,,,
,,,TD2:B:201,valid,Kd,=,38,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)n5cc(nn5)c6cccc(c6)F)O)CO)O,
,,5H9S,,,,,,,
,,,TGZ:B:201,valid,Kd,=,87,uM,c1cc(cc(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)CO)O,
,,4XBQ,,,,,,,
,,,NAG GAL:C:1,valid,Kd,=,270,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,Kd,=,270,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1MKY,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3FAX,,,,,,,
,,,BGC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:1223,Part of Protein,,,,,[Ca+2],
,,,CA:A:1224,Part of Protein,,,,,[Ca+2],
,,,CA:A:1225,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,CL:A:1226,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4MY2,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1WUB,,,,,,,
,,,OTP:A:1001,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,4KYC,,,,,,,
,,,EDO:A:1402,invalid,,,,,C(CO)O,
,,,BO3:A:1403,invalid,,,,,B(O)(O)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2C1Q,,,,,,,
,,,BTN:A:1126,valid,Kd,~,0.1,pM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:A:1127,invalid,,,,,C(C(CO)O)O,
,,2C1S,,,,,,,
,,,BSO:A:1125,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,,,BSO:B:1125,valid,,,,,C1[C@H]2[C@@H]([C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,3T95,,,,,,,
,,,PAV:A:400,valid,,,,,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,Family. Representative Entry is ,6GHV,,,,,,,
,,,CL:B:1006,invalid,,,,,[Cl-],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,CL:E:501,invalid,,,,,[Cl-],
,,,CL:A:1007,invalid,,,,,[Cl-],
,,,CL:F:506,invalid,,,,,[Cl-],
,,,CL:E:502,invalid,,,,,[Cl-],
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:D:501,invalid,,,,,[Cl-],
,,,CL:C:1005,invalid,,,,,[Cl-],
,,,CL:C:1006,invalid,,,,,[Cl-],
,,,CL:F:501,invalid,,,,,[Cl-],
,,,CL:B:1005,invalid,,,,,[Cl-],
,,,CL:E:507,invalid,,,,,[Cl-],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,CA:C:1003,Part of Protein,,,,,[Ca+2],
,,,CA:E:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:D:503,Part of Protein,,,,,[Ca+2],
,,,CA:F:505,Part of Protein,,,,,[Ca+2],
,,,CA:D:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:E:506,Part of Protein,,,,,[Ca+2],
,,,CA:C:1002,Part of Protein,,,,,[Ca+2],
,,,CA:D:505,Part of Protein,,,,,[Ca+2],
,,,CA:E:505,Part of Protein,,,,,[Ca+2],
,,,CA:F:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:C:1004,Part of Protein,,,,,[Ca+2],
,,,CA:F:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,EZ8:C:1001,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,,EZ8:E:503,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,,EZ8:D:502,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,,EZ8:A:1001,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,,EZ8:B:1001,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,,EZ8:F:502,valid,Kd,=,52,uM,c1cc(ccc1CNC(=O)[C@H]2C[C@@H]([C@H](C[C@@H]2C(=O)NCc3ccc(cc3)CO)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)n5cc(nn5)C[NH3+])OCCCl)CO,
,,1SL4,,,,,,,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN MAN:B:1,valid,,,,,,
,,2IT6,,,,,,,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN:B:1,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1K9I,,,,,,,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,CA:D:701,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:703,Part of Protein,,,,,[Ca+2],
,,,CA:E:801,Part of Protein,,,,,[Ca+2],
,,,CA:E:802,Part of Protein,,,,,[Ca+2],
,,,CA:E:803,Part of Protein,,,,,[Ca+2],
,,,CA:F:901,Part of Protein,,,,,[Ca+2],
,,,CA:F:902,Part of Protein,,,,,[Ca+2],
,,,CA:F:903,Part of Protein,,,,,[Ca+2],
,,,CA:G:1001,Part of Protein,,,,,[Ca+2],
,,,CA:G:1002,Part of Protein,,,,,[Ca+2],
,,,CA:G:1003,Part of Protein,,,,,[Ca+2],
,,,CA:H:1101,Part of Protein,,,,,[Ca+2],
,,,CA:H:1102,Part of Protein,,,,,[Ca+2],
,,,CA:H:1103,Part of Protein,,,,,[Ca+2],
,,,CA:I:1201,Part of Protein,,,,,[Ca+2],
,,,CA:I:1202,Part of Protein,,,,,[Ca+2],
,,,CA:I:1203,Part of Protein,,,,,[Ca+2],
,,,CA:J:1301,Part of Protein,,,,,[Ca+2],
,,,CA:J:1302,Part of Protein,,,,,[Ca+2],
,,,CA:J:1303,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN NAG NAG:M:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,,,MAN MAN MAN NAG NAG:K:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,,,MAN MAN MAN NAG NAG:N:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,,,MAN MAN MAN NAG NAG:L:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,,,MAN MAN MAN NAG NAG:O:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,Family. Representative Entry is ,2HT6,,,,,,,
,,,GDP:A:545,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:645,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:344,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3R1V,,,,,,,
,,,AZB:A:128,valid,Kd,=,0.12,uM,CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O,
,,,AZB:B:128,valid,Kd,=,0.12,uM,CC(C)c1ccc(cc1)/N=N/c2ccc(cc2)O,
,,3R1P,,,,,,,
,,,PLM:A:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:F:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3R1O,,,,,,,
,,,PLM:A:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:128,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2CWG,,,,,,,
,,,ASP THR TYR ALA ALA THR PRO ARG:E:5,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)C(O)C)C(N)C,
,,,NDG GAL SIA SIA:F:1,invalid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(OC3C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)C(O)C(CO)O3)C(NC(=O)C)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6OFQ,,,,,,,
,,,SER THR SER ALA:B:1,valid,Kd,=,7.06,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(O)C)CO)C,
,,6PU3,,,,,,,
,,,SER THR SER ALA:B:1,valid,Kd,=,7.06,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)C(O)C)CO)C,
,Family. Representative Entry is ,5A5D,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,5LC:A:500,valid,Kd,<,10,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O,
,,5ADW,,,,,,,
,,,FE:C:311,Part of Protein,,,,,[Fe+3],
,,,FE:B:311,Part of Protein,,,,,[Fe+3],
,,,FE:A:311,Part of Protein,,,,,[Fe+3],
,,,DMS:A:1311,invalid,,,,,CS(=O)C,
,,,DMS:C:1311,invalid,,,,,CS(=O)C,
,,,DMS:A:1312,invalid,,,,,CS(=O)C,
,,,EHS:A:312,valid,Kd,=,10.1,nM,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O,
,,,EHS:B:312,valid,Kd,=,10.1,nM,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O,
,,5A1J,,,,,,,
,,,LCM:A:1312,valid,,,,,c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O,
,,,FE:A:1311,Part of Protein,,,,,[Fe+3],
,,5TCY,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:B:401,Part of Protein,,,,,[Fe+3],
,,,5LC:B:402,valid,Kd,=,22,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O,
,,,5LC:A:402,valid,Kd,=,22,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O,
,,,5LC:C:402,valid,Kd,=,22,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O,
,,5ADV,,,,,,,
,,,FE:C:1311,Part of Protein,,,,,[Fe+3],
,,,FE:A:1311,Part of Protein,,,,,[Fe+3],
,,,FE:B:1312,Part of Protein,,,,,[Fe+3],
,,,DMS:B:1311,invalid,,,,,CS(=O)C,
,,,DMS:A:1314,invalid,,,,,CS(=O)C,
,,,DMS:B:1310,invalid,,,,,CS(=O)C,
,,,DBS:A:1313,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:C:1313,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:C:1312,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:A:1312,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,EHS:B:1313,valid,Kd,=,10.1,nM,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O,
,,2CHU,,,,,,,
,,,ECA ECA FE FE:B:1311,valid,,,,,,
,,,ZN:A:1311,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1315,Part of Protein,,,,,[Zn+2],
,,5AD1,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,8LC:A:500,valid,Kd,=,58,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCCCCNC(=O)c2cccc(c2O)O,
,,5A5V,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,PXJ:A:500,valid,Kd,=,33,nM,c1cc(c(c(c1)O)O)C(=O)NCCCCCCNC(=O)c2cccc(c2O)O,
,Family. Representative Entry is ,3KIF,,,,,,,
,,,GDL:A:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:B:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:D:238,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:D:241,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:E:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:F:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:G:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:I:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,GDL:J:110,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O,
,,,SO4:E:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:107,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4TQK,,,,,,,
,,,NAG:B:504,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,valid,Kd,=,28.31,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4TQM,,,,,,,
,,,NAG GAL NAG:B:1,valid,Kd,=,41.65,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG:C:1,valid,Kd,=,41.65,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG:G:1,valid,Kd,=,41.65,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG:E:1,valid,Kd,=,41.65,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL NAG:D:1,valid,Kd,=,41.65,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,GAL NAG:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,Family. Representative Entry is ,6A63,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6A62,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6A64,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1MGP,,,,,,,
,,,PLM:A:314,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6DQU,,,,,,,
,,,GLY ILE ILE ASN THR LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])C(CC)C)C(CC)C)CC(=O)N)C(O)C)CC(C)C,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6DQT,,,,,,,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,LEU GLY GLY:B:1,valid,,,,,O=C(NCC(=O)NCC(=O)[O-])C([NH3+])CC(C)C,
,,6DTG,,,,,,,
,,,TYR LEU GLY ALA ASN GLY:B:1,valid,,,,,O=C(NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC=O)CC(=O)N)C)CC(C)C)C([NH3+])Cc1ccc(O)cc1,
,,6DQR,,,,,,,
,,,MET GLY GLY:B:1,valid,,,,,S(CCC([NH3+])C(=O)NCC(=O)NCC(=O)[O-])C,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6DTH,,,,,,,
,,,ARG PRO PRO GLY PHE:B:1,valid,,,,,O=C(NC(C=O)Cc1ccccc1)CNC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6DQQ,,,,,,,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ALA ALA ALA ALA:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,6DTF,,,,,,,
,,,LYS LYS LYS:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1TL2,,,,,,,
,,,NDG:A:237,valid,Kd,=,51.28,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:238,valid,Kd,=,51.28,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:239,valid,Kd,=,51.28,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:240,valid,Kd,=,51.28,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:241,valid,Kd,=,51.28,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,5T7I,,,,,,,
,,,BGC GAL NAG GAL:B:1,valid,Kd,=,0.33,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,5T7S,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GLC GAL:B:1,valid,Kd,=,3.1,uM,,
,,4BMB,,,,,,,
,,,ZN:A:1154,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1157,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1156,invalid,,,,,[Na+],
,,,BGC GAL:B:1,valid,Ka,=,13000,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,,3VKO,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4BME,,,,,,,
,,,GLC GAL:C:1,valid,Ka,=,13000,M^-1,,
,,,GLC GAL:D:1,valid,Ka,=,13000,M^-1,,
,,6W4Z,,,,,,,
,,,SZS:A:201,valid,Kd,=,9.17,uM,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O,
,,,SZS:B:201,valid,Kd,=,9.17,uM,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,PG4:B:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,5T7T,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,NAG GAL:B:1,valid,Kd,=,2.1,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1W9W,,,,,,,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,BGC BGC GLC BGC BGC BGC:B:1,valid,Ka,=,290000,M^-1,,
,,1W9T,,,,,,,
,,,NA:A:1141,Part of Protein,,,,,[Na+],
,,,NA:A:1142,Part of Protein,,,,,[Na+],
,,,NA:A:1143,Part of Protein,,,,,[Na+],
,,,NA:B:1141,Part of Protein,,,,,[Na+],
,,,NA:B:1142,Part of Protein,,,,,[Na+],
,,,NA:B:1143,Part of Protein,,,,,[Na+],
,,,XYP XYP:D:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:B:1147,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP:A:1147,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYS XYP:A:1146,valid,,,,,,
,,,XYS XYP:B:1146,valid,,,,,,
,Family. Representative Entry is ,1JIF,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CU  BLM:A:404,valid,Kd,=,120,nM,,
,,,CU  BLM:B:403,valid,Kd,=,120,nM,,
,,1JIE,,,,,,,
,,,BLM:A:402,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:B:401,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,Family. Representative Entry is ,5SWB,,,,,,,
,,,CD:A:510,invalid,,,,,[Cd+2],
,,,CD:A:513,invalid,,,,,[Cd+2],
,,,CD:A:512,invalid,,,,,[Cd+2],
,,,CD:A:517,invalid,,,,,[Cd+2],
,,,CD:D:509,invalid,,,,,[Cd+2],
,,,CD:G:508,invalid,,,,,[Cd+2],
,,,CD:C:516,invalid,,,,,[Cd+2],
,,,CD:A:511,invalid,,,,,[Cd+2],
,,,CD:D:508,invalid,,,,,[Cd+2],
,,,CD:A:508,invalid,,,,,[Cd+2],
,,,CD:C:510,invalid,,,,,[Cd+2],
,,,CD:G:513,invalid,,,,,[Cd+2],
,,,CD:G:512,invalid,,,,,[Cd+2],
,,,CD:D:510,invalid,,,,,[Cd+2],
,,,CD:A:507,invalid,,,,,[Cd+2],
,,,CD:A:516,invalid,,,,,[Cd+2],
,,,CD:G:510,invalid,,,,,[Cd+2],
,,,CD:A:509,invalid,,,,,[Cd+2],
,,,CD:C:515,invalid,,,,,[Cd+2],
,,,CD:C:514,invalid,,,,,[Cd+2],
,,,CD:G:509,invalid,,,,,[Cd+2],
,,,CD:C:507,invalid,,,,,[Cd+2],
,,,CD:A:514,invalid,,,,,[Cd+2],
,,,CD:A:515,invalid,,,,,[Cd+2],
,,,CD:C:509,invalid,,,,,[Cd+2],
,,,CD:C:508,invalid,,,,,[Cd+2],
,,,CD:C:512,invalid,,,,,[Cd+2],
,,,CD:D:501,invalid,,,,,[Cd+2],
,,,CD:G:511,invalid,,,,,[Cd+2],
,,,CD:D:512,invalid,,,,,[Cd+2],
,,,CD:G:507,invalid,,,,,[Cd+2],
,,,CD:C:513,invalid,,,,,[Cd+2],
,,,CD:D:511,invalid,,,,,[Cd+2],
,,,CD:C:511,invalid,,,,,[Cd+2],
,,,NAG BMA MAN MAN MAN MAN:E:1,valid,Kd,=,0.962,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,NAG BMA MAN MAN MAN MAN:H:1,valid,Kd,=,0.962,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,NAG BMA MAN MAN MAN MAN:F:1,valid,Kd,=,0.962,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,NAG BMA MAN MAN MAN MAN:B:1,valid,Kd,=,0.962,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1URS,,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1URD,,,,,,,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1URG,,,,,,,
,,,GLC GLC:B:1,valid,Kd,=,1.5,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6N3R,,,,,,,
,,,GAL:F:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1Q3P,,,,,,,
,,,GLU ALA GLN THR ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CCC(=O)N)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,,GLU ALA GLN THR ARG LEU:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)CCC(=O)N)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,3QJM,,,,,,,
,,,ASP GLU THR ASN LEU:C:642,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CC(=O)N)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(O)C,
,,,ASP GLU THR ASN LEU:D:642,valid,,,,,O=C(NC(C(=O)NC(C=O)CC(C)C)CC(=O)N)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(O)C,
,Family. Representative Entry is ,3ZYR,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:400,Part of Protein,,,,,[Mn+2],
,,,NAG NAG BMA MAN MAN NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,URE:A:403,invalid,,,,,C(=O)(N)N,
,,,URE:B:404,invalid,,,,,C(=O)(N)N,
,,,NAG ASN NAG BMA MAN MAN NAG NAG:C:1,valid,Kd,=,4.6,uM,O=C([O-])C(N)CC(=O)NC1C(NC(=O)C)C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(O)C(OC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)C(CO)O2)C(CO)O1,
,,3ZVX,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5U38,,,,,,,
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6A8D,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3PPQ,,,,,,,
,,,CHT:A:401,valid,Kd,=,28,uM,C[N+](C)(C)CCO,
,,,CHT:B:401,valid,Kd,=,28,uM,C[N+](C)(C)CCO,
,,3PPR,,,,,,,
,,,4CS:A:401,valid,Kd,=,1.5,mM,CC1=N[C@@H](CCN1)C(=O)O,
,,,4CS:B:401,valid,Kd,=,1.5,mM,CC1=N[C@@H](CCN1)C(=O)O,
,Family. Representative Entry is ,2WCJ,,,,,,,
,,,M21:A:1147,valid,,,,,CC=C/C=C/CCCCCCCCCO,
,,,MG:A:1142,Part of Protein,,,,,[Mg+2],
,,,MG:A:1143,Part of Protein,,,,,[Mg+2],
,,,MG:A:1144,Part of Protein,,,,,[Mg+2],
,,,MG:A:1145,Part of Protein,,,,,[Mg+2],
,,,MG:A:1146,Part of Protein,,,,,[Mg+2],
,,,MG:A:1148,Part of Protein,,,,,[Mg+2],
,,2WC5,,,,,,,
,,,BOM:A:1143,valid,,,,,CCCC=C/C=C/CCCCCCCCCO,
,,,MG:A:1142,invalid,,,,,[Mg+2],
,,2WCH,,,,,,,
,,,B7M:A:1145,valid,,,,,CCCC=C/C=C/CCCCCCCCC=O,
,,,MG:A:1142,Part of Protein,,,,,[Mg+2],
,,,MG:A:1143,Part of Protein,,,,,[Mg+2],
,,,MG:A:1144,Part of Protein,,,,,[Mg+2],
,,,MG:A:1146,Part of Protein,,,,,[Mg+2],
,,2WC6,,,,,,,
,,,BOM:A:1143,valid,,,,,CCCC=C/C=C/CCCCCCCCCO,
,,,MG:A:1142,invalid,,,,,[Mg+2],
,,2WCM,,,,,,,
,,,B9M:A:1143,valid,,,,,CCCC#CC=CCCCCCCCCCO,
,,,MG:A:1142,invalid,,,,,[Mg+2],
,,,MG:A:1144,invalid,,,,,[Mg+2],
,,2WCL,,,,,,,
,,,B8M:A:1145,valid,,,,,CCCCCC=C/C=C/CCCCCCCO,
,,,MG:A:1142,Part of Protein,,,,,[Mg+2],
,,,MG:A:1143,Part of Protein,,,,,[Mg+2],
,,,MG:A:1144,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3QF7,,,,,,,
,,,ANP:A:853,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:853,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:854,Part of Protein,,,,,[Mg+2],
,,,MG:B:854,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VBM,,,,,,,
,,,MG:A:875,Part of Protein,,,,,[Mg+2],
,,,MN:A:876,Part of Protein,,,,,[Mn+2],
,,,MN:A:877,Part of Protein,,,,,[Mn+2],
,,,PO4:A:872,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:873,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RAM RAM NAG RAM:B:1,valid,,,,,,
,Family. Representative Entry is ,6FLZ,,,,,,,
,,,CIT:B:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MMA:A:202,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:201,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:201,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,6GEH,,,,,,,
,,,FAD:A:635,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:634,invalid,,,,,C(C(CO)O)O,
,,,NA:A:623,Part of Protein,,,,,[Na+],
,,,NA:A:631,Part of Protein,,,,,[Na+],
,,,NA:A:619,Part of Protein,,,,,[Na+],
,,,NA:A:628,Part of Protein,,,,,[Na+],
,,,NA:A:617,invalid,,,,,[Na+],
,,,NA:A:614,Part of Protein,,,,,[Na+],
,,,NA:A:624,Part of Protein,,,,,[Na+],
,,,NA:A:629,Part of Protein,,,,,[Na+],
,,,NA:A:612,Part of Protein,,,,,[Na+],
,,,NA:A:633,Part of Protein,,,,,[Na+],
,,,NA:A:627,Part of Protein,,,,,[Na+],
,,,NA:A:616,Part of Protein,,,,,[Na+],
,,,NA:A:626,Part of Protein,,,,,[Na+],
,,,NA:A:632,Part of Protein,,,,,[Na+],
,,,NA:A:615,Part of Protein,,,,,[Na+],
,,,NA:A:630,Part of Protein,,,,,[Na+],
,,,NA:A:618,Part of Protein,,,,,[Na+],
,,,NA:A:610,invalid,,,,,[Na+],
,,,NA:A:620,Part of Protein,,,,,[Na+],
,,,NA:A:621,Part of Protein,,,,,[Na+],
,,,NA:A:625,Part of Protein,,,,,[Na+],
,,,NA:A:613,Part of Protein,,,,,[Na+],
,,,NA:A:622,Part of Protein,,,,,[Na+],
,,,NA:A:611,Part of Protein,,,,,[Na+],
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2PHX,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN MAN MAN:D:1,valid,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1K7U,,,,,,,
,,,NAG NAG:D:1,valid,Ka,=,7100,M^-1,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,valid,Ka,=,7100,M^-1,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2GCN,,,,,,,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3002,invalid,,,,,C(CO)O,
,,,EDO:A:3003,invalid,,,,,C(CO)O,
,,,EDO:A:3004,invalid,,,,,C(CO)O,
,,,EDO:A:3005,invalid,,,,,C(CO)O,
,,,GDP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,2GCP,,,,,,,
,,,EDO:A:3001,invalid,,,,,C(CO)O,
,,,EDO:A:3002,invalid,,,,,C(CO)O,
,,,GSP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,MG:A:2002,Part of Protein,,,,,[Mg+2],
,,,MG:A:2003,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1Q8P,,,,,,,
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,CA:B:1262,Part of Protein,,,,,[Ca+2],
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:261,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1K7T,,,,,,,
,,,GAL NAG:D:1,valid,Ka,=,8800,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,,,GAL NAG:C:1,valid,Ka,=,8800,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(O)O1)C,
,Family. Representative Entry is ,2VMG,,,,,,,
,,,CA:A:1178,Part of Protein,,,,,[Ca+2],
,,,MBG:A:1179,valid,Ka,=,480,M^-1,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3TCG,,,,,,,
,,,LYS GLY GLU:I:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:J:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:K:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:L:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:M:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:N:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:O:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,,,LYS GLY GLU:P:1,valid,Kd,=,1.36,uM,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C([NH3+])CCCC[NH3+],
,Family. Representative Entry is ,5Z2M,,,,,,,
,,,GTP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6S6D,,,,,,,
,,,GDP:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,9JE:B:403,invalid,,,,,C(CCO)CCO,
,,,9JE:B:404,invalid,,,,,C(CCO)CCO,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3VYK,,,,,,,
,,,CA:A:1007,Part of Protein,,,,,[Ca+2],
,,,MMA MAN NAG MAN NAG NAG:B:1,valid,Kd,=,0.000023,M,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C,
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1LNM,,,,,,,
,,,DTX:A:700,valid,Kd,=,2,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O,
,,1LKE,,,,,,,
,,,DOG:A:500,valid,Kd,=,30.2,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,1N0S,,,,,,,
,,,FLU:A:500,valid,Kd,=,35.2,nM,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,,FLU:B:501,valid,Kd,=,35.2,nM,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,,SO4:B:185,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2YFB,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,SIN:A:500,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:500,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SO4:A:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1278,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1279,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3H4Z,,,,,,,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,NA:A:1216,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4A6H,,,,,,,
,,,PO4:A:1582,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1582,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1584,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1582,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1582,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,I4D:A:1584,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,,I4D:A:1585,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,,I4D:B:1585,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,4A6K,,,,,,,
,,,I4D:A:1585,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,,I4D:B:1586,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,,I4D:C:1583,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O,
,,,PO4:A:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1584,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1584,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1585,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1582,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1584,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4KZV,,,,,,,
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4ZRV,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:306,invalid,,,,,CC(=O)[O-],
,,,GLC U8V:F:1,valid,,,,,O=C(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)C,
,,,GLC U8V:D:1,valid,,,,,O=C(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)C,
,,,GLC U8V:E:1,valid,,,,,O=C(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)C,
,Family. Representative Entry is ,2J0V,,,,,,,
,,,GDP:A:1179,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1182,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:1180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1180,Part of Protein,,,,,[Mg+2],
,,,MG:B:1183,Part of Protein,,,,,[Mg+2],
,,,MG:C:1179,Part of Protein,,,,,[Mg+2],
,,,MG:D:1181,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1LRH,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:H:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN:G:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,Part of Protein,,,,,,
,,,NLA:A:5190,valid,Kd,=,0.15,uM,c1ccc2c(c1)cccc2CC(=O)O,
,,,NLA:B:6190,valid,Kd,=,0.15,uM,c1ccc2c(c1)cccc2CC(=O)O,
,,,NLA:C:7190,valid,Kd,=,0.15,uM,c1ccc2c(c1)cccc2CC(=O)O,
,,,NLA:D:8190,valid,Kd,=,0.15,uM,c1ccc2c(c1)cccc2CC(=O)O,
,,,ZN:A:180,Part of Protein,,,,,[Zn+2],
,,,ZN:B:180,Part of Protein,,,,,[Zn+2],
,,,ZN:C:180,Part of Protein,,,,,[Zn+2],
,,,ZN:D:180,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6N9H,,,,,,,
,,,308:A:101,valid,,,,,C1C2CC3CC1CC(C2)(C3)N,
,,,NA:A:102,Part of Protein,,,,,[Na+],
,,6NAF,,,,,,,
,,,308:A:101,valid,,,,,C1C2CC3CC1CC(C2)(C3)N,
,,,NA:A:102,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3I8T,,,,,,,
,,,GOL:A:166,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:167,invalid,,,,,C(C(CO)O)O,
,,,NA:A:169,invalid,,,,,[Na+],
,,,PEG:A:168,invalid,,,,,C(COCCO)O,
,,,GLC GAL:B:1,valid,Kd,=,600,uM,,
,Family. Representative Entry is ,1HSL,,,,,,,
,,,CD:A:750,invalid,,,,,[Cd+2],
,,,CD:A:751,invalid,,,,,[Cd+2],
,,,CD:A:752,invalid,,,,,[Cd+2],
,,,CD:A:753,invalid,,,,,[Cd+2],
,,,CD:A:756,invalid,,,,,[Cd+2],
,,,CD:B:754,invalid,,,,,[Cd+2],
,,,CD:B:755,invalid,,,,,[Cd+2],
,,,HIS:A:239,valid,Kd,=,0.064,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:239,valid,Kd,=,0.064,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,1HPB,,,,,,,
,,,HIS:P:240,valid,Kd,=,0.03,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5GLT,,,,,,,
,,,BGC GAL NAG GAL:C:1,valid,Kd,=,24,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:D:1,valid,Kd,=,24,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:E:1,valid,Kd,=,24,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,5GLU,,,,,,,
,,,GLC GAL SIA:C:1,valid,Kd,=,96,uM,,
,,,GLC GAL SIA:E:1,valid,Kd,=,96,uM,,
,,,GLC GAL SIA:D:1,valid,Kd,=,96,uM,,
,,5GM0,,,,,,,
,,,BGC GAL:D:1,valid,Kd,=,111,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,Kd,=,111,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,Kd,=,111,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,5GLZ,,,,,,,
,,,BGC:B:800,valid,Kd,=,78,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:800,valid,Kd,=,78,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:800,valid,Kd,=,78,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:D:800,valid,Kd,=,78,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5GLW,,,,,,,
,,,NAG GAL:D:1,valid,Kd,=,54,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:E:1,valid,Kd,=,54,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,Kd,=,54,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2EAX,,,,,,,
,,,ALA FGA LYS DAL DAL AMV NAG:L:502,valid,Kd,=,227,mM,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(OC)C1NC(=O)C)C)C)CCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)C)CCCC[NH3+],
,Family. Representative Entry is ,2FTB,,,,,,,
,,,OLA:A:130,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,2FT9,,,,,,,
,,,CHD:A:130,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CHD:A:131,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,6F7X,,,,,,,
,,,QQ7:A:103,valid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:B:103,valid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,MFU:A:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:102,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3K6V,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,3H4S,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:E:700,Part of Protein,,,,,[Ca+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6FUV,,,,,,,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:605,invalid,,,,,C(COCCOCCO)O,
,,,P33:A:607,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:A:606,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,BMA BMA BMA:B:1,valid,Kd,=,0.000000064,M,,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5N99,,,,,,,
,,,ASN GLN DPR TRP GLN:T:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:H:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:P:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:F:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:V:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:N:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:J:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:C:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:E:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:X:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:R:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,,,ASN GLN DPR TRP GLN:L:1,valid,Kd,=,61.3,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc2c3c([nH]c2)cccc3)CCC1)CCC(=O)N)C([NH3+])CC(=O)N,
,Family. Representative Entry is ,3V2Q,,,,,,,
,,,PLM:A:101,valid,Kd,=,0.51,uM,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:101,valid,Kd,=,0.51,uM,CCCCCCCCCCCCCCCC(=O)O,
,,1MZ9,,,,,,,
,,,VDY:A:1002,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,,VDY:D:1001,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C3C[C@H](CCC3=C)O)C,
,,3V2P,,,,,,,
,,,STE:A:1,valid,Kd,=,0.44,uM,CCCCCCCCCCCCCCCCCC(=O)O,
,,3V2N,,,,,,,
,,,MYR:A:1,valid,Kd,=,0.8,uM,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4OIT,,,,,,,
,,,MAN:D:202,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:201,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:201,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:203,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:203,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:202,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:203,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:201,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:201,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:202,valid,Ka,=,32.5,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,BMA:B:202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4CPB,,,,,,,
,,,GAL CN8:B:1123,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:A:1123,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:D:1124,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL CN8:C:1123,valid,,,,,S(c1ccc(C(=O)NCCN2NNC=C2)cc1)C1C(O)C(O)C(O)C(CO)O1,
,,,2PE:D:1122,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CA:A:1122,Part of Protein,,,,,[Ca+2],
,,,CA:D:1123,Part of Protein,,,,,[Ca+2],
,,,CA:B:1122,Part of Protein,,,,,[Ca+2],
,,,CA:C:1122,Part of Protein,,,,,[Ca+2],
,,,EDO:B:1125,invalid,,,,,C(CO)O,
,,,PEG:A:1125,invalid,,,,,C(COCCO)O,
,,,CL:D:1126,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3WMQ,,,,,,,
,,,CL:A:1009,invalid,,,,,[Cl-],
,,,CL:A:1008,invalid,,,,,[Cl-],
,,,CL:A:1007,invalid,,,,,[Cl-],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,NA:A:1010,invalid,,,,,[Na+],
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MPD:A:1004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,A2G:A:1003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,3WMP,,,,,,,
,,,CL:F:105,invalid,,,,,[Cl-],
,,,CL:A:105,invalid,,,,,[Cl-],
,,,CL:C:106,invalid,,,,,[Cl-],
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:E:103,invalid,,,,,[Cl-],
,,,CL:D:105,invalid,,,,,[Cl-],
,,,CL:B:103,invalid,,,,,[Cl-],
,,,CL:D:104,invalid,,,,,[Cl-],
,,,CL:E:104,invalid,,,,,[Cl-],
,,,CL:F:104,invalid,,,,,[Cl-],
,,,CL:C:105,invalid,,,,,[Cl-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,A2G:C:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NA:F:106,invalid,,,,,[Na+],
,,,NA:A:106,invalid,,,,,[Na+],
,,,NA:B:105,invalid,,,,,[Na+],
,,,NA:C:107,invalid,,,,,[Na+],
,,,NA:D:106,invalid,,,,,[Na+],
,,,NA:E:105,invalid,,,,,[Na+],
,,,MPD:C:104,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:103,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:103,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLA:F:103,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3T5G,,,,,,,
,,,FAR:A:2010,invalid,,,,,CC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JE7,,,,,,,
,,,CA:A:1241,Part of Protein,,,,,[Ca+2],
,,,MN:A:1240,Part of Protein,,,,,[Mn+2],
,,,XMM:A:1242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,3A0K,,,,,,,
,,,ABA:E:240,valid,,,,,CC[C@@H](C(=O)O)N,
,,,ABA:G:240,valid,,,,,CC[C@@H](C(=O)O)N,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CA:C:239,Part of Protein,,,,,[Ca+2],
,,,CA:E:239,Part of Protein,,,,,[Ca+2],
,,,CA:G:239,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:E:238,Part of Protein,,,,,[Mn+2],
,,,MN:G:238,Part of Protein,,,,,[Mn+2],
,,5UUY,,,,,,,
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,6CJ9,,,,,,,
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,3SH3,,,,,,,
,,,A3B:A:241,valid,,,,,C=C[C@H](C(=O)[O-])[NH3+],
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,CL:A:240,invalid,,,,,[Cl-],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,XMM:A:242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,2JE9,,,,,,,
,,,CA:A:1240,Part of Protein,,,,,[Ca+2],
,,,CA:B:1240,Part of Protein,,,,,[Ca+2],
,,,CA:C:1240,Part of Protein,,,,,[Ca+2],
,,,CA:D:1240,Part of Protein,,,,,[Ca+2],
,,,MN:A:1241,Part of Protein,,,,,[Mn+2],
,,,MN:B:1241,Part of Protein,,,,,[Mn+2],
,,,MN:C:1241,Part of Protein,,,,,[Mn+2],
,,,MN:D:1241,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1244,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1244,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1245,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XMM:A:1242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:1242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:C:1242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:D:1242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,3RS6,,,,,,,
,,,CA:A:239,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,XMM:A:241,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,2JDZ,,,,,,,
,,,CA:A:241,Part of Protein,,,,,[Ca+2],
,,,CD:A:245,invalid,,,,,[Cd+2],
,,,MN:A:240,Part of Protein,,,,,[Mn+2],
,,,MN:A:244,Part of Protein,,,,,[Mn+2],
,,,MN:A:246,Part of Protein,,,,,[Mn+2],
,,,MN:A:247,Part of Protein,,,,,[Mn+2],
,,,MN:A:248,Part of Protein,,,,,[Mn+2],
,,,XMM:A:249,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,2JEC,,,,,,,
,,,CA:A:240,Part of Protein,,,,,[Ca+2],
,,,CA:B:240,Part of Protein,,,,,[Ca+2],
,,,CA:C:240,Part of Protein,,,,,[Ca+2],
,,,CA:D:240,Part of Protein,,,,,[Ca+2],
,,,MN:A:241,Part of Protein,,,,,[Mn+2],
,,,MN:A:243,Part of Protein,,,,,[Mn+2],
,,,MN:B:241,Part of Protein,,,,,[Mn+2],
,,,MN:B:243,Part of Protein,,,,,[Mn+2],
,,,MN:C:241,Part of Protein,,,,,[Mn+2],
,,,MN:C:243,Part of Protein,,,,,[Mn+2],
,,,MN:D:241,Part of Protein,,,,,[Mn+2],
,,,MN:D:243,Part of Protein,,,,,[Mn+2],
,,,XMM:A:242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:C:242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:D:242,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,1DGL,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MMA MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5TG3,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:B:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:C:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:D:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,Family. Representative Entry is ,1W6P,,,,,,,
,,,BME:A:2137,invalid,,,,,C(CS)O,
,,,BME:A:2138,invalid,,,,,C(CS)O,
,,,BME:B:3138,invalid,,,,,C(CS)O,
,,,BME:B:3139,invalid,,,,,C(CS)O,
,,,BME:B:3140,invalid,,,,,C(CS)O,
,,,NDG GAL:C:1,valid,Ka,=,10100,M^-1,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:D:1,valid,Ka,=,10100,M^-1,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:B:3135,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6A87,,,,,,,
,,,NAG MEE FUC:H:1,valid,,,,,S(C)C1C(NC(=O)C)C(O)C(O)C(COC2C(O)C(O)C(O)C(C)O2)O1,
,,,NAG MEE FUC:G:1,valid,,,,,S(C)C1C(NC(=O)C)C(O)C(O)C(COC2C(O)C(O)C(O)C(C)O2)O1,
,,,NAG MEE FUC:I:1,valid,,,,,S(C)C1C(NC(=O)C)C(O)C(O)C(COC2C(O)C(O)C(O)C(C)O2)O1,
,,,FUC:A:101,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,2OX9,,,,,,,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:803,Part of Protein,,,,,[Ca+2],
,,,CA:A:804,Part of Protein,,,,,[Ca+2],
,,,CA:B:801,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,CA:B:803,Part of Protein,,,,,[Ca+2],
,,,CA:B:804,Part of Protein,,,,,[Ca+2],
,,,CA:C:801,Part of Protein,,,,,[Ca+2],
,,,CA:C:802,Part of Protein,,,,,[Ca+2],
,,,CA:C:803,Part of Protein,,,,,[Ca+2],
,,,CA:C:804,Part of Protein,,,,,[Ca+2],
,,,CA:D:801,Part of Protein,,,,,[Ca+2],
,,,CA:D:802,Part of Protein,,,,,[Ca+2],
,,,CA:D:803,Part of Protein,,,,,[Ca+2],
,,,CA:D:804,Part of Protein,,,,,[Ca+2],
,,,NAG FUC GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5L9G,,,,,,,
,,,CA:B:409,Part of Protein,,,,,[Ca+2],
,,,CA:B:408,invalid,,,,,[Ca+2],
,,,CA:A:408,invalid,,,,,[Ca+2],
,,,CA:A:409,invalid,,,,,[Ca+2],
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,MO0:A:401,valid,Kd,=,19.8,nM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,MO0:B:401,valid,Kd,=,19.8,nM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,5L9L,,,,,,,
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:404,invalid,,,,,[Ca+2],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,GOP:A:401,valid,Kd,=,79.4,nM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,GOP:B:401,valid,Kd,=,79.4,nM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,5L9I,,,,,,,
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:B:407,invalid,,,,,[Ca+2],
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,SNW:A:401,valid,Kd,=,99,nM,C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O,
,,,SNW:B:401,valid,Kd,=,99,nM,C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,6TG3,,,,,,,
,,,N7T:B:401,valid,Kd,=,10815,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,N7T:A:401,valid,Kd,=,10815,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,N7T:D:401,valid,Kd,=,10815,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,N7T:C:401,valid,Kd,=,10815,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6TG2,,,,,,,
,,,N72:A:401,valid,Kd,=,3.9,uM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,N72:D:401,valid,Kd,=,3.9,uM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,N72:B:401,valid,Kd,=,3.9,uM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,N72:C:401,valid,Kd,=,3.9,uM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,CA:D:402,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2PHW,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MAN BMA MAN MAN MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(OC)C(O)C(O)C(CO)O2)C(O)C(OCC2C(O)C(O)C(O)C(O)O2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4U36,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CIT:A:307,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SER A2G:A:308,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,4WV8,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:G:1,valid,,,,,,
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,,4U2A,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,A2G:A:303,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CIT:A:304,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3ALT,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,GLC GLA:H:1,valid,Ka,=,330,M^-1,,
,,,GLC GLA:E:1,valid,Ka,=,330,M^-1,,
,,,GLC GLA:G:1,valid,Ka,=,330,M^-1,,
,,,GLC GLA:F:1,valid,Ka,=,330,M^-1,,
,,3ALU,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,EDO:A:159,invalid,,,,,C(CO)O,
,,,EDO:A:160,invalid,,,,,C(CO)O,
,,,EDO:B:159,invalid,,,,,C(CO)O,
,,,EDO:C:159,invalid,,,,,C(CO)O,
,,,EDO:C:160,invalid,,,,,C(CO)O,
,,,EDO:C:161,invalid,,,,,C(CO)O,
,,,EDO:C:162,invalid,,,,,C(CO)O,
,,,EDO:D:159,invalid,,,,,C(CO)O,
,,,EDO:D:160,invalid,,,,,C(CO)O,
,,,FRU GLC GLA:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1GUI,,,,,,,
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,Kd,=,0.53,uM,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1KUJ,,,,,,,
,,,MMA:A:501,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:502,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:E:503,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:G:504,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1JXN,,,,,,,
,,,CA:A:246,Part of Protein,,,,,[Ca+2],
,,,CA:B:246,Part of Protein,,,,,[Ca+2],
,,,CA:C:246,Part of Protein,,,,,[Ca+2],
,,,CA:D:246,Part of Protein,,,,,[Ca+2],
,,,MFU:A:501,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:602,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:703,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:804,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MN:A:245,Part of Protein,,,,,[Mn+2],
,,,MN:B:245,Part of Protein,,,,,[Mn+2],
,,,MN:C:245,Part of Protein,,,,,[Mn+2],
,,,MN:D:245,Part of Protein,,,,,[Mn+2],
,,,MRD:C:901,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2GN3,,,,,,,
,,,MAN:A:300,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MMA:B:300,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2IFB,,,,,,,
,,,PLM:A:133,valid,Ki,=,3.6,uM,CCCCCCCCCCCCCCCC(=O)O,
,,1ICM,,,,,,,
,,,MYR:A:133,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1ICN,,,,,,,
,,,OLA:A:133,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1OUW,,,,,,,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:C:518,invalid,,,,,C(CO)O,
,,,EDO:D:512,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,IMD:A:521,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:523,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:520,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:522,invalid,,,,,c1c[nH+]c[nH]1,
,,,MLT:C:502,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:501,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1AUA,,,,,,,
,,,BOG:A:1,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:2,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1JOT,,,,,,,
,,,A2G GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1UGW,,,,,,,
,,,GAL:A:200,valid,Ka,=,1220,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:1200,valid,Ka,=,1220,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:2200,valid,Ka,=,1220,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:3200,valid,Ka,=,1220,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1Y2W,,,,,,,
,,,NAG:A:147,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA SER GAL:C:1,Part of Protein,,,,,,
,,,NGA SER GAL:D:1,Part of Protein,,,,,,
,,1Y2U,,,,,,,
,,,NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,1Y2X,,,,,,,
,,,NAG:A:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:3144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA GAL:H:1,Part of Protein,,,,,,
,,,NGA SER GAL:E:1,valid,,,,,,
,,,NGA SER GAL:G:1,valid,,,,,,
,,,NGA SER GAL:F:1,valid,,,,,,
,,1Y2V,,,,,,,
,,,NGA SER GAL:C:1,valid,,,,,,
,,,NGA SER GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,4NYT,,,,,,,
,,,NAG NAG FUC MAN:D:1,invalid,,,,,,
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,NAG:A:302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PC:A:303,valid,Kd,=,3.7,mM,C[N+](C)(C)CCOP(=O)(O)O,
,,,PO4:C:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,2J0Y,,,,,,,
,,,ACT:B:1289,invalid,,,,,CC(=O)[O-],
,,,BGC:F:1289,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC BGC BGC:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:B:1290,Part of Protein,,,,,[Ca+2],
,,,CA:C:1293,Part of Protein,,,,,[Ca+2],
,,,CA:C:1294,Part of Protein,,,,,[Ca+2],
,,,CA:E:1289,Part of Protein,,,,,[Ca+2],
,,,CA:F:1294,Part of Protein,,,,,[Ca+2],
,,,CA:F:1295,Part of Protein,,,,,[Ca+2],
,,,NAG:C:1295,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1296,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2J1G,,,,,,,
,,,ACT:B:1289,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1289,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1290,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1289,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1289,invalid,,,,,CC(=O)[O-],
,,,CA:B:1290,Part of Protein,,,,,[Ca+2],
,,,CA:C:1291,Part of Protein,,,,,[Ca+2],
,,,CA:D:1289,Part of Protein,,,,,[Ca+2],
,,,CA:E:1290,Part of Protein,,,,,[Ca+2],
,,,CA:F:1291,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA MAN:G:1,invalid,,,,,,
,,,P4C:B:1296,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:B:1297,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:E:1293,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:E:1294,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,SC2:F:1290,valid,,,,,CC(=O)N[C@@H](CS)C(=O)O,
,,4R9J,,,,,,,
,,,ACT:G:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:G:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:G:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,CA:G:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,3LJ:B:305,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O,
,,,3LJ:B:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O,
,,,3LJ:A:305,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:G:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:306,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2J3U,,,,,,,
,,,ACT:B:1290,invalid,,,,,CC(=O)[O-],
,,,ACT:B:407,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1291,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1290,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1291,invalid,,,,,CC(=O)[O-],
,,,CA:A:1289,Part of Protein,,,,,[Ca+2],
,,,CA:B:1292,Part of Protein,,,,,[Ca+2],
,,,CA:C:1292,Part of Protein,,,,,[Ca+2],
,,,CA:D:1289,Part of Protein,,,,,[Ca+2],
,,,CA:E:1291,Part of Protein,,,,,[Ca+2],
,,,CA:F:1292,Part of Protein,,,,,[Ca+2],
,,,EPE:B:1289,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1289,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:1289,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLA:B:1291,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:1290,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:1289,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:F:1290,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:1295,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:1294,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:C:1293,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1293,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,P4C:B:1296,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:C:1294,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:E:1295,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:E:1296,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:F:1294,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,Family. Representative Entry is ,6R1B,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,CH5:A:501,valid,Kd,=,3.6,uM,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,CH5:C:501,valid,Kd,=,3.6,uM,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,CH5:B:501,valid,Kd,=,3.6,uM,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,CH5:D:501,valid,Kd,=,3.6,uM,C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O,
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1RDL,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,MMA:1:1,valid,Ki,=,5.7,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:2:1,valid,Ki,=,5.7,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,1KZD,,,,,,,
,,,CA:1:501,Part of Protein,,,,,[Ca+2],
,,,CA:1:502,Part of Protein,,,,,[Ca+2],
,,,CA:2:601,Part of Protein,,,,,[Ca+2],
,,,CA:2:602,Part of Protein,,,,,[Ca+2],
,,,NAG:1:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:2:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1RDI,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,MFU:1:1,valid,Ki,=,8.8,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:2:1,valid,Ki,=,8.8,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,1KZC,,,,,,,
,,,CA:1:501,Part of Protein,,,,,[Ca+2],
,,,CA:1:502,Part of Protein,,,,,[Ca+2],
,,,CA:2:601,Part of Protein,,,,,[Ca+2],
,,,CA:2:602,Part of Protein,,,,,[Ca+2],
,,,CL:1:503,invalid,,,,,[Cl-],
,,,MAN:1:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:2:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1KZA,,,,,,,
,,,CA:1:501,Part of Protein,,,,,[Ca+2],
,,,CA:1:502,Part of Protein,,,,,[Ca+2],
,,,CA:2:601,Part of Protein,,,,,[Ca+2],
,,,CA:2:602,Part of Protein,,,,,[Ca+2],
,,,CL:1:503,invalid,,,,,[Cl-],
,,,MAN:1:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:2:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1KZE,,,,,,,
,,,CA:1:501,Part of Protein,,,,,[Ca+2],
,,,CA:1:502,Part of Protein,,,,,[Ca+2],
,,,CA:2:601,Part of Protein,,,,,[Ca+2],
,,,CA:2:602,Part of Protein,,,,,[Ca+2],
,,,CL:1:503,invalid,,,,,[Cl-],
,,,MAN:1:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:2:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1RDN,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,NDG:1:1,valid,Ki,=,14.4,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:2:1,valid,Ki,=,14.4,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,1RDK,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,GAL:1:1,valid,Ki,=,114,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:2:1,valid,Ki,=,114,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1KZB,,,,,,,
,,,CA:1:501,Part of Protein,,,,,[Ca+2],
,,,CA:1:502,Part of Protein,,,,,[Ca+2],
,,,CA:2:601,Part of Protein,,,,,[Ca+2],
,,,CA:2:602,Part of Protein,,,,,[Ca+2],
,,,MAN:1:1501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:2:1601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,1RDJ,,,,,,,
,,,CA:1:2,Part of Protein,,,,,[Ca+2],
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,MFB:1:1,valid,Ki,=,21.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O,
,,,MFB:2:1,valid,Ki,=,21.7,mM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O,
,,1RDM,,,,,,,
,,,CA:1:227,Part of Protein,,,,,[Ca+2],
,,,CA:1:228,Part of Protein,,,,,[Ca+2],
,,,CA:2:2,Part of Protein,,,,,[Ca+2],
,,,CA:2:227,Part of Protein,,,,,[Ca+2],
,,,CL:1:3,invalid,,,,,[Cl-],
,,,MMA:1:1,valid,Ki,=,5.7,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:1:2,valid,Ki,=,5.7,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:2:1,valid,Ki,=,5.7,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,2WQ4,,,,,,,
,,,BR:A:300,invalid,,,,,[Br-],
,,,SFU:A:200,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:200,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:200,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,Family. Representative Entry is ,5F7N,,,,,,,
,,,NAG GAL FUC FUC A2G:F:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(CO)OC(O)C2NC(=O)C)OC(CO)C1O)C,
,,,NAG GAL FUC FUC A2G:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(CO)OC(O)C2NC(=O)C)OC(CO)C1O)C,
,,5F9A,,,,,,,
,,,GLC GAL NAG GAL FUC FUC:B:1,valid,,,,,,
,,5F8R,,,,,,,
,,,BGC GAL NAG GAL FUC FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL FUC FUC:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,2OFD,,,,,,,
,,,ACT:A:997,invalid,,,,,CC(=O)[O-],
,,,ACT:B:995,invalid,,,,,CC(=O)[O-],
,,,ACT:B:996,invalid,,,,,CC(=O)[O-],
,,,NGA:A:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3W9K,,,,,,,
,,,MYR:A:201,valid,Kd,=,0.48,uM,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,1ULM,,,,,,,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,3WV6,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL:D:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,Family. Representative Entry is ,6A7S,,,,,,,
,,,TRS:B:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,NGA:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3DM0,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5NWI,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,TYR PHE SER SEP ASN:P:673,valid,Kd,=,0.69,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)Cc1ccccc1)CO)C(=O)NC(C(=O)[O-])CC(=O)N)([O-])[O-],
,,1O9D,,,,,,,
,,,GLN SER TYR TPO VAL:P:1,valid,Kd,=,2.5,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CO)Cc1ccc(O)cc1)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,,5NWJ,,,,,,,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,HIS LEU TYR PHE SER SEP ASN:P:671,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)CO)C(=O)NC(C(=O)[O-])CC(=O)N)([O-])[O-],
,,,ACT:P:701,invalid,,,,,CC(=O)[O-],
,,3E6Y,,,,,,,
,,,CL:A:262,invalid,,,,,[Cl-],
,,,CW1:A:261,valid,Kd,=,2.5,uM,C[C@@H]1[C@@H]2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O,
,,,CW1:B:261,valid,Kd,=,2.5,uM,C[C@@H]1[C@@H]2CC[C@@](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@@H]5[C@]6([C@@H](O4)COC)O[C@H](O5)C(O6)(C)CCOC=O)O)C(C)C)C)(COC)O,
,,,GLN SER TYR TPO VAL:C:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CO)Cc1ccc(O)cc1)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,,,GLN SER TYR TPO VAL:D:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)N)CO)Cc1ccc(O)cc1)C(=O)NC(C(=O)[O-])C(C)C)C)([O-])[O-],
,Family. Representative Entry is ,5Z2L,,,,,,,
,,,EDO:G:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:I:301,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,PEG:K:301,invalid,,,,,C(COCCO)O,
,,,NDP:J:301,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:L:301,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:304,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:I:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:K:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:303,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:302,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:301,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PG0:A:301,invalid,,,,,COCCOCCO,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,PG4:F:301,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2PHR,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,BMA MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2V05,,,,,,,
,,,CHT:A:1312,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1313,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1314,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1315,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1316,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1317,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1318,valid,,,,,C[N+](C)(C)CCO,
,,2VYU,,,,,,,
,,,CHT:C:312,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:313,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:314,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:315,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:316,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:317,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:318,valid,,,,,C[N+](C)(C)CCO,
,,2V04,,,,,,,
,,,CHT:A:1312,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1313,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1314,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1315,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1316,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1317,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:1318,valid,,,,,C[N+](C)(C)CCO,
,Family. Representative Entry is ,2CB8,,,,,,,
,,,MXE:B:1092,invalid,,,,,COCCO,
,,,MYA:B:1089,valid,Kd,=,2.5,nM,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MYA ZN:B:1088,invalid,,,,,,
,,,MYA ZN  ZN  MYA ZN:A:1088,invalid,,,,,,
,,,SO4:A:1095,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1089,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1091,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1092,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1090,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4LNP,,,,,,,
,,,VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU:B:870,valid,Kd,=,214,uM,O=C([O-])CCC(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C(NC(=O)C5N(C(=O)C6N(C(=O)C7N(C(=O)C([NH3+])C)CCC7)CCC6)CCC5)CCCNC(=[NH2+])N)CCC4)CCC3)CCC2)CCC1)C=O,
,Family. Representative Entry is ,6A6M,,,,,,,
,,,ANP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,NO3:A:806,invalid,,,,,[N+](=O)([O-])[O-],
,,,DMU:A:805,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:804,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:A:803,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,4INQ,,,,,,,
,,,PIF:A:1001,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,Family. Representative Entry is ,3OGN,,,,,,,
,,,3OG:A:1,valid,,,,,CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C,
,,,3OG:B:1,valid,,,,,CCCCCCCCCC[C@@H]([C@H]1CCCC(=O)O1)OC(=O)C,
,,,MG:A:126,Part of Protein,,,,,[Mg+2],
,,,MG:A:127,Part of Protein,,,,,[Mg+2],
,,,MG:A:128,Part of Protein,,,,,[Mg+2],
,,,MG:B:126,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4GGZ,,,,,,,
,,,BTN:C:900,valid,Kd,=,0.066,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:900,valid,Kd,=,0.066,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:900,valid,Kd,=,0.066,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:900,valid,Kd,=,0.066,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,3NV3,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,MAN NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,3NV2,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,NDG GAL:B:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,3NV4,,,,,,,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,BGC GAL SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6P2M,,,,,,,
,,,TRS:A:813,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,PE3:A:808,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,BGC BGC BGC XYS XYS GAL GAL:B:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,Family. Representative Entry is ,1ELJ,,,,,,,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5BJZ,,,,,,,
,,,CL:L:301,invalid,,,,,[Cl-],
,,,CL:H:302,invalid,,,,,[Cl-],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,EPE:B:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3PGF,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GOL:H:222,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:215,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:368,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:369,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,2HO2,,,,,,,
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU:B:1,valid,Kd,=,116,uM,O=C(NC(C=O)CC(C)C)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5N(C(=O)C6N(C(=O)C7N(C(=O)C8N(C(=O)C9[NH2+]CCC9)CCC8)CCC7)CCC6)CCC5)CCC4)CCC3)CCC2)CCC1,
,,2OEI,,,,,,,
,,,PRO PRO PRO PRO PRO PRO LEU PRO PRO:B:1,valid,Kd,=,124,uM,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5N(C(=O)C6[NH2+]CCC6)CCC5)CCC4)CCC3)CCC2)CCC1)CC(C)C)N1C(C(=O)N2C(C=O)CCC2)CCC1,
,Family. Representative Entry is ,6QP0,,,,,,,
,,,ADP:A:501,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:A:502,valid,,,,,F[Al](F)F,
,,,MES:A:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6LJQ,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,6LJR,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6QQ4,,,,,,,
,,,MLA:B:201,valid,,,,,C(C(=O)O)C(=O)O,
,,,1PE:A:201,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,3R6U,,,,,,,
,,,CHT:A:285,valid,Kd,=,30.5,uM,C[N+](C)(C)CCO,
,,5NXY,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,1Y8:C:301,valid,,,,,C[As](C)(C)CCO,
,,,1Y8:A:301,valid,,,,,C[As](C)(C)CCO,
,Family. Representative Entry is ,2XUZ,,,,,,,
,,,EB4 FE:A:1300,valid,Kd,=,0.04,uM,O=C(NC1C(=O)OCC(NC(=O)c2c(O)c(O)ccc2)C(=O)OCC(NC(=O)c2c(O)c(O)ccc2)C(=O)OC1)c1c(O)c(O)ccc1.[Fe+2],
,,,PEG:A:1303,invalid,,,,,C(COCCO)O,
,,,PEG:A:1304,invalid,,,,,C(COCCO)O,
,,,PG4:A:1302,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:1305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2XV1,,,,,,,
,,,ECA:A:1301,valid,Kd,=,1.03,uM,c1cc(c(c(c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c3O)O)CNC(=O)c4cccc(c4O)O,
,,,FE:A:1302,invalid,,,,,[Fe+3],
,,,PEG:A:1305,invalid,,,,,C(COCCO)O,
,,,PEG:A:1306,invalid,,,,,C(COCCO)O,
,,,PO4:A:1303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2WHY,,,,,,,
,,,CL:A:1302,invalid,,,,,[Cl-],
,,,CL:A:1303,invalid,,,,,[Cl-],
,,,CL:A:1304,invalid,,,,,[Cl-],
,,,CL:A:1305,invalid,,,,,[Cl-],
,,,CL:A:1306,invalid,,,,,[Cl-],
,,,CL:A:1307,invalid,,,,,[Cl-],
,,,CL:A:1308,invalid,,,,,[Cl-],
,,,CL:A:1309,invalid,,,,,[Cl-],
,,,CL:A:1310,invalid,,,,,[Cl-],
,,,CL:A:1311,invalid,,,,,[Cl-],
,,,CL:A:1312,invalid,,,,,[Cl-],
,,,DBH GLY THR DBH GLY THR DBH GLY THR FE :B:11,valid,,,,,,
,Family. Representative Entry is ,2ODE,,,,,,,
,,,ALF GDP:A:2001,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,ALF GDP:C:2002,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C([N+]=2C3=NC(=N)NC(=O)C3=NC=2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:C:3002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OAI,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2HPS,,,,,,,
,,,CTZ:A:187,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)O)c5ccc(cc5)O,
,,,GOL:A:376,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:377,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1OFS,,,,,,,
,,,CA:A:1183,Part of Protein,,,,,[Ca+2],
,,,CA:C:1183,Part of Protein,,,,,[Ca+2],
,,,MN:A:1182,Part of Protein,,,,,[Mn+2],
,,,MN:C:1182,Part of Protein,,,,,[Mn+2],
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1BQP,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,MAN:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:303,Part of Protein,,,,,[Mn+2],
,,,BMA:B:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:C:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,1HKD,,,,,,,
,,,CA:A:1182,Part of Protein,,,,,[Ca+2],
,,,CA:C:1182,Part of Protein,,,,,[Ca+2],
,,,GYP:A:1184,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:C:1184,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:1183,Part of Protein,,,,,[Mn+2],
,,,MN:C:1183,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1H8P,,,,,,,
,,,PC:A:1110,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:A:1111,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:1110,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:1111,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,Family. Representative Entry is ,5TTD,,,,,,,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4KYD,,,,,,,
,,,MPO:A:1504,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:1502,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:1502,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:1505,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:1503,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:1503,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,9ABP,,,,,,,
,,,GAL:A:308,valid,Kd,=,0.01,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:307,valid,Kd,=,0.01,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5ABP,,,,,,,
,,,GAL:A:308,valid,Kd,=,0.23,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:307,valid,Kd,=,0.23,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6ABP,,,,,,,
,,,ARA:A:307,valid,Kd,=,0.44,uM,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARB:A:308,valid,Kd,=,0.44,uM,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,8ABP,,,,,,,
,,,GAL:A:308,valid,Kd,=,0.01,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLA:A:307,valid,Kd,=,0.01,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,7ABP,,,,,,,
,,,FCA:A:307,valid,Kd,=,0.35,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FCB:A:308,valid,Kd,=,0.35,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,1ABF,,,,,,,
,,,FCA:A:307,valid,Kd,=,3.8,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FCB:A:308,valid,Kd,=,3.8,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,1APB,,,,,,,
,,,FCA:A:307,valid,Kd,=,1.51,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,FCB:A:308,valid,Kd,=,1.51,uM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,1ABE,,,,,,,
,,,ARA:A:307,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARB:A:308,valid,,,,,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,1BAP,,,,,,,
,,,ARA:A:307,valid,Kd,=,0.14,uM,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ARB:A:308,valid,Kd,=,0.14,uM,C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,4V2O,,,,,,,
,,,CLQ:B:1079,valid,Ka,=,31400,M^-1,CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl,
,,,CLQ:C:1079,valid,Ka,=,31400,M^-1,CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl,
,,1N69,,,,,,,
,,,PEH:A:300,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,4AQ4,,,,,,,
,,,CD:A:1418,invalid,,,,,[Cd+2],
,,,CO:A:1419,Part of Protein,,,,,[Co+2],
,,,G3P:A:1415,valid,Kd,=,0.68,uM,C([C@H](COP(=O)(O)O)O)O,
,,,GOL:A:1416,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1417,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1420,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5JST,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2CCV,,,,,,,
,,,A2G:A:1101,valid,Kd,=,0.00013,M,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ACT:A:1103,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1104,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1100,Part of Protein,,,,,[Zn+2],
,,4Q56,,,,,,,
,,,ZN:A:210,Part of Protein,,,,,[Zn+2],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,BMA:B:6,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,ACT:A:201,invalid,,,,,CC(=O)[O-],
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,FUC:B:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GAL:B:3,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,A2G:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,1LOB,,,,,,,
,,,CA:A:228,Part of Protein,,,,,[Ca+2],
,,,CA:C:458,Part of Protein,,,,,[Ca+2],
,,,CA:E:688,Part of Protein,,,,,[Ca+2],
,,,CA:G:918,Part of Protein,,,,,[Ca+2],
,,,MMA:B:53,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:182,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:E:182,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:G:182,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:229,Part of Protein,,,,,[Mn+2],
,,,MN:C:459,Part of Protein,,,,,[Mn+2],
,,,MN:E:689,Part of Protein,,,,,[Mn+2],
,,,MN:G:919,Part of Protein,,,,,[Mn+2],
,,1LOA,,,,,,,
,,,CA:A:228,Part of Protein,,,,,[Ca+2],
,,,CA:C:458,Part of Protein,,,,,[Ca+2],
,,,CA:E:688,Part of Protein,,,,,[Ca+2],
,,,CA:G:918,Part of Protein,,,,,[Ca+2],
,,,GYP:A:182,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:C:182,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:E:182,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:G:182,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MN:A:229,Part of Protein,,,,,[Mn+2],
,,,MN:C:459,Part of Protein,,,,,[Mn+2],
,,,MN:F:689,Part of Protein,,,,,[Mn+2],
,,,MN:G:919,Part of Protein,,,,,[Mn+2],
,,1LOC,,,,,,,
,,,CA:A:228,Part of Protein,,,,,[Ca+2],
,,,CA:C:458,Part of Protein,,,,,[Ca+2],
,,,CA:E:688,Part of Protein,,,,,[Ca+2],
,,,CA:G:918,Part of Protein,,,,,[Ca+2],
,,,MDP DAL ZGL:1:950,valid,,,,,O=C([O-])N(C)C1C(OC(C(O)[NH2+]C(C=O)C)C)C(O)C(CO)OC1O,
,,,MDP DAL ZGL:2:950,valid,,,,,O=C([O-])N(C)C1C(OC(C(O)[NH2+]C(C=O)C)C)C(O)C(CO)OC1O,
,,,MDP DAL ZGL:3:950,valid,,,,,O=C([O-])N(C)C1C(OC(C(O)[NH2+]C(C=O)C)C)C(O)C(CO)OC1O,
,,,MDP DAL ZGL:4:950,valid,,,,,O=C([O-])N(C)C1C(OC(C(O)[NH2+]C(C=O)C)C)C(O)C(CO)OC1O,
,,,MN:A:229,Part of Protein,,,,,[Mn+2],
,,,MN:C:459,Part of Protein,,,,,[Mn+2],
,,,MN:E:689,Part of Protein,,,,,[Mn+2],
,,,MN:G:919,Part of Protein,,,,,[Mn+2],
,,1LOG,,,,,,,
,,,CA:A:561,Part of Protein,,,,,[Ca+2],
,,,CA:C:571,Part of Protein,,,,,[Ca+2],
,,,MN:A:562,Part of Protein,,,,,[Mn+2],
,,,MN:C:572,Part of Protein,,,,,[Mn+2],
,,,NAG BMA MAN:F:1,valid,,,,,,
,,,NAG BMA MAN:E:1,valid,,,,,,
,,1LOD,,,,,,,
,,,CA:A:228,Part of Protein,,,,,[Ca+2],
,,,CA:C:458,Part of Protein,,,,,[Ca+2],
,,,CA:E:688,Part of Protein,,,,,[Ca+2],
,,,CA:G:918,Part of Protein,,,,,[Ca+2],
,,,MN:A:229,Part of Protein,,,,,[Mn+2],
,,,MN:C:459,Part of Protein,,,,,[Mn+2],
,,,MN:E:689,Part of Protein,,,,,[Mn+2],
,,,MN:G:919,Part of Protein,,,,,[Mn+2],
,,,MUR:A:230,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:C:460,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:E:690,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,,,MUR:G:920,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N,
,Family. Representative Entry is ,5BVS,,,,,,,
,,,EIC:A:201,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O,
,,,EIC:B:201,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,5NM7,,,,,,,
,,,GLY:A:302,invalid,,,,,C(C(=O)O)N,
,,,GLY:G:302,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:301,valid,,,,,C(C(=O)O)N,
,,,GLY:G:301,valid,,,,,C(C(=O)O)N,
,,,GLY:G:303,valid,,,,,C(C(=O)O)N,
,,,PGE:G:304,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3PQC,,,,,,,
,,,GDP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEG:A:196,invalid,,,,,C(COCCO)O,
,,,PEG:B:196,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3ROE,,,,,,,
,,,THM:A:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:B:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:E:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:F:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,Family. Representative Entry is ,2Z48,,,,,,,
,,,A2G:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:1005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:2001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:2005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:1007,Part of Protein,,,,,[Ca+2],
,,,CA:A:1102,Part of Protein,,,,,[Ca+2],
,,,CA:A:1103,Part of Protein,,,,,[Ca+2],
,,,CA:A:1104,Part of Protein,,,,,[Ca+2],
,,,CA:A:1205,Part of Protein,,,,,[Ca+2],
,,,CA:B:1201,Part of Protein,,,,,[Ca+2],
,,,CA:B:1202,Part of Protein,,,,,[Ca+2],
,,,CA:B:1203,Part of Protein,,,,,[Ca+2],
,,,CA:B:1204,Part of Protein,,,,,[Ca+2],
,,,CA:B:1205,Part of Protein,,,,,[Ca+2],
,,,MG:A:1111,Part of Protein,,,,,[Mg+2],
,,,MG:A:1112,Part of Protein,,,,,[Mg+2],
,,,MG:B:1211,Part of Protein,,,,,[Mg+2],
,,,MG:B:1212,Part of Protein,,,,,[Mg+2],
,,,NGA:A:1002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:1006,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:2002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:2003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:2004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:2006,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4BJ8,,,,,,,
,,,BTN:L:1125,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:M:1124,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:I:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:G:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:O:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:H:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:F:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:N:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:K:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:E:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:P:1124,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:J:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:1123,valid,Kd,=,5.13,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,GOL:L:1126,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6BGC,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,BGC:B:401,valid,Kd,=,12.7,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:401,valid,Kd,=,12.7,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2GMP,,,,,,,
,,,SO4:A:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,2Z23,,,,,,,
,,,LYS LYS LYS:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+],
,Family. Representative Entry is ,2W47,,,,,,,
,,,CA:A:1137,Part of Protein,,,,,[Ca+2],
,,,GTR AQA:B:1,valid,,,,,,
,Family. Representative Entry is ,6KUG,,,,,,,
,,,G   C   C   U  :B:1,valid,,,,,,
,,6KTC,,,,,,,
,,,G   5MC C   U  :V:9,valid,,,,,P(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(O)C(O)C(N4C(=O)NC(=O)C=C4)O3)[O-])C(O)C(N3C(=O)N=C(N)C=C3)O2)[O-])C(O)C(N2C(=O)N=C(N)C(C)=C2)O1)(OC1C(O)C(n2c3N=C(N)NC(=O)c3nc2)OC1COP(O)O)[O-],
,Family. Representative Entry is ,3RO7,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDR:A:300,valid,,,,,CC1=CNC(=O)NC1=O,
,,3ROG,,,,,,,
,,,SO4:A:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T3P:A:265,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O,
,,3ROX,,,,,,,
,,,SO4:A:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TEP:A:266,valid,,,,,CN1c2c([nH]cn2)C(=O)N(C1=O)C,
,,3RNO,,,,,,,
,,,NAP:A:265,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3MA0,,,,,,,
,,,XYP:A:400,valid,Kd,=,0.13,uM,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:B:401,valid,Kd,=,0.13,uM,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,XYP:C:402,valid,Kd,=,0.13,uM,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,3M9X,,,,,,,
,,,XYP:A:400,valid,Kd,=,0.13,uM,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,1JAC,,,,,,,
,,,AMG:A:200,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:C:200,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:E:200,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:G:200,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,4QVH,,,,,,,
,,,COA:A:602,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:602,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,FLC:A:608,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:607,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3WUD,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GAL:B:1,valid,Kd,=,41,uM,,
,Family. Representative Entry is ,6E3D,,,,,,,
,,,SER SER VAL THR:B:3,valid,Kd,=,1.5,uM,O=C(NC(C=O)C(O)C)C(NC(=O)C(NC(=O)C([NH3+])CO)CO)C(C)C,
,,6E4D,,,,,,,
,,,VAL VAL VAL ALA:F:1001,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C(C)C)C(C)C)C([NH3+])C(C)C,
,Family. Representative Entry is ,1VBO,,,,,,,
,,,MAN:D:1405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:F:2405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN MAN:M:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:L:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:N:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:K:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:I:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:J:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,Family. Representative Entry is ,1AQC,,,,,,,
,,,GLY TYR GLU ASN PRO THR TYR LYS PHE PHE:C:3,valid,Kd,=,4.56,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)Cc1ccccc1)CCCC[NH3+])Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C,
,,,GLY TYR GLU ASN PRO THR TYR LYS PHE PHE:D:3,valid,Kd,=,4.56,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1ccccc1)Cc1ccccc1)CCCC[NH3+])Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])Cc2ccc(O)cc2)CCC(=O)[O-])CC(=O)N)CCC1)C(O)C,
,Family. Representative Entry is ,6FX2,,,,,,,
,,,C4W NAG FUC BMA MAN MAN NAG GAL NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C([N-][N+]#N)OC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,,,C4W NAG FUC BMA MAN NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C([N-][N+]#N)OC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,,6FX3,,,,,,,
,,,C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C([N-][N+]#N)OC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,,,C4W NAG FUC BMA MAN NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(O)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C([N-][N+]#N)OC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,,6FX1,,,,,,,
,,,MLI:A:107,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:107,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:106,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:105,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:I:109,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:E:108,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:107,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:109,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:H:106,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:K:105,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:F:107,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:D:108,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,OOA:A:108,invalid,,,,,CCCCCC(=O)CC(=O)O,
,,,C4W NAG FUC BMA MAN NAG:X:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN NAG:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN NAG:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN NAG:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA:T:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA:V:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA:W:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN MAN NAG NAG:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN MAN NAG NAG:U:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN MAN NAG:S:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,,,C4W NAG FUC BMA MAN MAN NAG:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C([NH3+])OC1COC1C(O)C(O)C(O)C(C)O1)C,
,Family. Representative Entry is ,2UVO,,,,,,,
,,,GOL:A:1177,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1179,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1176,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1178,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1174,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1176,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1175,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1178,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1174,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1175,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1177,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:1173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:1175,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:1174,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:1176,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:1177,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:E:1172,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:E:1174,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:E:1175,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:1176,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,6Q79,,,,,,,
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,NH2:E:202,invalid,,,,,[NH2],
,,,NH2:H:202,invalid,,,,,[NH2],
,,,ZDC:H:1,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O,
,,,ZDC:E:1,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O,
,,,DLY DTY DLY DLY DAL DLE ZDC:G:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CCCC[NH3+])Cc1ccc(O)cc1)CCCC[NH3+],
,,,DLY DTY DLY DLY DAL DLE ZDC:F:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)CC1C(O)C(O)C(O)C(C)O1)CCCC[NH3+])Cc1ccc(O)cc1)CCCC[NH3+],
,Family. Representative Entry is ,4XR8,,,,,,,
,,,ZN:D:901,Part of Protein,,,,,[Zn+2],
,,,ZN:F:201,Part of Protein,,,,,[Zn+2],
,,,ZN:F:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:900,Part of Protein,,,,,[Zn+2],
,,,ZN:H:201,Part of Protein,,,,,[Zn+2],
,,,ZN:H:202,Part of Protein,,,,,[Zn+2],
,,,PEG:F:204,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:D:902,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,EDO:F:203,invalid,,,,,C(CO)O,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6STL,,,,,,,
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,TAU:B:401,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:A:401,valid,,,,,C(CS(=O)(=O)O)N,
,,6ST0,,,,,,,
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:401,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,LUQ:A:405,valid,,,,,C(CS(=O)(=O)O)NCC(=O)N,
,,,LUQ:B:407,valid,,,,,C(CS(=O)(=O)O)NCC(=O)N,
,,6SSY,,,,,,,
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:407,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:B:409,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:B:408,invalid,,,,,[I-],
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,P7I:B:401,valid,,,,,C(CP(=O)(O)O)N,
,,,P7I:A:401,valid,,,,,C(CP(=O)(O)O)N,
,Family. Representative Entry is ,1GZW,,,,,,,
,,,BME:A:500,invalid,,,,,C(CS)O,
,,,BME:A:501,invalid,,,,,C(CS)O,
,,,BME:B:502,invalid,,,,,C(CS)O,
,,,BME:B:503,invalid,,,,,C(CS)O,
,,,BME:B:504,invalid,,,,,C(CS)O,
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2Y6Q,,,,,,,
,,,FAD:A:1384,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1384,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1384,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1384,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,I7T:A:1385,valid,,,,,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I,
,,,I7T:B:1385,valid,,,,,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I,
,,,I7T:C:1385,valid,,,,,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I,
,,,I7T:D:1385,valid,,,,,CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)I,
,,,SO4:A:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2XDO,,,,,,,
,,,FAD:A:389,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:389,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:389,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:389,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:394,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:393,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5EYY,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,NAG:A:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5EYX,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,NAG:B:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6RKJ,,,,,,,
,,,AHR AHR AHR AHR AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,6RKH,,,,,,,
,,,AHR AHR AHR AHR AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,6RJY,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(O)O1)C1C(O)C(O)C(CO)O1,
,,6RL2,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,AHR AHR AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(CO)O2)O1,
,,6RKX,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,AHR AHR AHR AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(O)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,6RKL,,,,,,,
,,,AHR AHR AHR AHR AHR AHR:B:1,valid,,,,,O(CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(COC2C(O)C(O)C(COC3C(O)C(O)C(CO)O3)O2)O1,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,6RL1,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,AHR AHR AHR:B:1,valid,,,,,O=CC1C(O)C(O)C(OCC2C(O)C(O)C(OCC3C(O)C(O)C(O)O3)O2)O1,
,Family. Representative Entry is ,1UGY,,,,,,,
,,,GLC GLA:J:1,valid,Ka,=,5310,M^-1,,
,,,GLC GLA:I:1,valid,Ka,=,5310,M^-1,,
,,,BGC GLA:L:1,valid,Ka,=,5310,M^-1,,
,,,BGC GLA:K:1,valid,Ka,=,5310,M^-1,,
,Family. Representative Entry is ,2UZ2,,,,,,,
,,,ACT:A:1123,invalid,,,,,CC(=O)[O-],
,,,BTN:D:1124,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,2UYW,,,,,,,
,,,BTN:A:1123,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:1124,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,FMT:A:1124,invalid,,,,,C(=O)O,
,,,FMT:A:1125,invalid,,,,,C(=O)O,
,,,FMT:A:1126,invalid,,,,,C(=O)O,
,,,FMT:A:1127,invalid,,,,,C(=O)O,
,,,FMT:A:1128,invalid,,,,,C(=O)O,
,,,FMT:D:1125,invalid,,,,,C(=O)O,
,,,FMT:D:1126,invalid,,,,,C(=O)O,
,,,FMT:D:1127,invalid,,,,,C(=O)O,
,,,FMT:D:1128,invalid,,,,,C(=O)O,
,,,FMT:D:1129,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,4D52,,,,,,,
,,,NA:C:1318,Part of Protein,,,,,[Na+],
,,,NA:D:1317,Part of Protein,,,,,[Na+],
,,,NA:B:1318,Part of Protein,,,,,[Na+],
,,,GIV:D:2320,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:C:2322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:A:2319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:C:2327,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:D:1318,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:D:2324,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:B:2319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:A:2316,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:C:2319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:B:2326,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:B:2322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GIV:A:2322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GXL:A:1318,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:D:1319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:D:1320,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:A:1319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:C:1319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:C:1322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:C:1327,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:B:1321,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:A:1322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:B:1322,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:C:1321,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:A:1316,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:B:1319,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GXL:D:1324,valid,,,,,C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PGE:C:1325,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:1322,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1324,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:1320,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:1321,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:1323,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1323,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:1324,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:1325,invalid,,,,,C(COCCO)O,
,,,PEG:C:1326,invalid,,,,,C(COCCO)O,
,,,PEG:C:1320,invalid,,,,,C(COCCO)O,
,,,PEG:A:1321,invalid,,,,,C(COCCO)O,
,,,PEG:A:1317,invalid,,,,,C(COCCO)O,
,,,PEG:B:1320,invalid,,,,,C(COCCO)O,
,,,PEG:D:1323,invalid,,,,,C(COCCO)O,
,,,ZN:B:1317,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6CAY,,,,,,,
,,,ERG:A:1101,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,ERG:B:1101,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,4PSB,,,,,,,
,,,GA3:A:201,valid,Kd,=,23,uM,C[C@@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O,
,,3C0V,,,,,,,
,,,4985_4986_4987_4988_4989_4990_4991_4992_4993_4994_4995_4996_4997_4998_4999_5000_5001_5002_:A:158,invalid,,,,,,
,,,5003_5004_5005_5006_5007_5008_5009_5010_5011_5012_5013_5014_5015_5016_5017_5018_5019_5020_:A:159,invalid,,,,,,
,,,5070_5071_5072_5076_5077_5078_5079_5080_5081_5082_5083_5084_5085_5086_5087_:C:157,invalid,,,,,,
,,,5073_5074_:C:157,Part of Protein,,,,,,
,,,5088_:C:158,Part of Protein,,,,,,
,,,5094_5095_5096_5097_5098_5099_5100_5101_5102_5103_5104_5105_:C:158,invalid,,,,,,
,,,5138_:D:158,Part of Protein,,,,,,
,,,5144_5145_5146_5147_5148_5149_5150_5151_5152_5153_5154_5155_:D:158,invalid,,,,,,
,,,EPE:A:160,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NA:B:156,Part of Protein,,,,,[Na+],
,,,NA:C:156,Part of Protein,,,,,[Na+],
,,,ZEA:A:156,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:157,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:157,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:158,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:D:156,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:D:157,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,2FLH,,,,,,,
,,,NA:B:802,Part of Protein,,,,,[Na+],
,,,NA:C:801,Part of Protein,,,,,[Na+],
,,,ZEA:A:701,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:702,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:708,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:703,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:B:704,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:C:705,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:C:709,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:D:706,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:D:707,valid,Kd,=,106,uM,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,Family. Representative Entry is ,5F90,,,,,,,
,,,LMR:A:201,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,GAL GLA:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL GLA:G:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC 5VQ GAL GLA:E:1,valid,Kd,=,14,uM,O(CCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,BGC 5VQ GAL GLA:F:1,valid,Kd,=,14,uM,O(CCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,BGC 5VQ GAL GLA:C:1,valid,Kd,=,14,uM,O(CCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,5F8Y,,,,,,,
,,,X6X:B:201,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,X6X:A:201,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,X6X:B:202,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,X6X:B:203,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,X6X:A:203,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,X6X:A:202,valid,Kd,=,57,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,5F8W,,,,,,,
,,,GLA:B:203,valid,Kd,=,51,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:203,valid,Kd,=,51,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:202,valid,Kd,=,51,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:201,valid,Kd,=,51,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:202,valid,Kd,=,51,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GAL:A:201,valid,Kd,=,15,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2XOM,,,,,,,
,,,CA:A:1169,Part of Protein,,,,,[Ca+2],
,,,GAL GAL GAL:B:1,valid,Ka,=,100000,M^-1,,
,,2XON,,,,,,,
,,,CA:A:1166,Part of Protein,,,,,[Ca+2],
,,,CA:L:1170,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1168,invalid,,,,,C(CO)O,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1172,invalid,,,,,C(CO)O,
,,,EDO:A:1173,invalid,,,,,C(CO)O,
,,,EDO:A:1174,invalid,,,,,C(CO)O,
,,,EDO:A:1175,invalid,,,,,C(CO)O,
,,,EDO:A:1176,invalid,,,,,C(CO)O,
,,,EDO:A:1177,invalid,,,,,C(CO)O,
,,,EDO:A:1178,invalid,,,,,C(CO)O,
,,,EDO:A:1179,invalid,,,,,C(CO)O,
,,,EDO:A:1183,invalid,,,,,C(CO)O,
,,,EDO:A:1184,invalid,,,,,C(CO)O,
,,,EDO:A:1185,invalid,,,,,C(CO)O,
,,,EDO:L:1172,invalid,,,,,C(CO)O,
,,,EDO:L:1173,invalid,,,,,C(CO)O,
,,,EDO:L:1174,invalid,,,,,C(CO)O,
,,,EDO:L:1175,invalid,,,,,C(CO)O,
,,,EDO:L:1176,invalid,,,,,C(CO)O,
,,,EDO:L:1177,invalid,,,,,C(CO)O,
,,,EDO:L:1178,invalid,,,,,C(CO)O,
,,,EDO:L:1179,invalid,,,,,C(CO)O,
,,,EDO:L:1180,invalid,,,,,C(CO)O,
,,,EDO:L:1181,invalid,,,,,C(CO)O,
,,,GAL GAL GAL:C:1,valid,Ka,=,100000,M^-1,,
,,,GAL GAL GAL:B:1,valid,Ka,=,100000,M^-1,,
,,,SO4:A:1167,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1171,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3QDW,,,,,,,
,,,A2G:A:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,2V72,,,,,,,
,,,CA:A:1139,Part of Protein,,,,,[Ca+2],
,,,GAL:A:1140,valid,Ka,=,1360,M^-1,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3ZXE,,,,,,,
,,,PGZ:A:1,valid,Kd,=,450,uM,Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O,
,,,PGZ:B:1,valid,Kd,=,450,uM,Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O,
,,3GAL,,,,,,,
,,,1GN:A:998,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,1GN:B:999,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,4UW6,,,,,,,
,,,VV7:B:1136,valid,,,,,c1c(cc(cc1C(=O)N[C@@](COCc2cn(nn2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)(COCc4cn(nn4)[C]5[C]([C]([C]([C](O5)[C][O])[O])[O])[O])OCc6cn(nn6)[C@H]7C(C(C([C@H](O7)CO)O)O)O)C(=O)NC(COCc8cn(nn8)[C@@H]9[C@H]([C@@H]([C@H]([C@@H](O9)CO)O)O)O)(COCc1cn(nn1)[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)COc1[c]n(nn1)[C]1[C]([C]([C]([C](O1)[C][O])[O])[O])[O])CO,
,,2GAL,,,,,,,
,,,GAL:A:998,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:999,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4GAL,,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4UW3,,,,,,,
,,,50G:A:1136,valid,,,,,c1c(nnn1[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)O)O)O)CO)COCC(COCc3cn(nn3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)(COCc5cn(nn5)[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)N,
,,4UW4,,,,,,,
,,,4S0:B:1136,valid,,,,,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N,
,,5GAL,,,,,,,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,4UW5,,,,,,,
,,,4S0:A:1136,valid,,,,,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N,
,,,4S0:F:1136,valid,,,,,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)COCC(COCc4cn(nn4)[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)(COCc7cn(nn7)[C@@H]8[C@@H]([C@@H]([C@H]([C@H](O8)CO)O[C@H]9[C@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)N,
,Family. Representative Entry is ,6G0X,,,,,,,
,,,NA:A:1013,Part of Protein,,,,,[Na+],
,,,NA:A:1014,Part of Protein,,,,,[Na+],
,,,NA:A:1015,Part of Protein,,,,,[Na+],
,,,FMT:A:1011,invalid,,,,,C(=O)O,
,,,FMT:A:1012,invalid,,,,,C(=O)O,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,TRS:A:1007,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NDG NAG GLA NAG GLC RAM:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(C)O3)O2)C(CO)OC(OC2C(O)C(CO)OC(O)C2NC(=O)C)C1O)C.O=C(NC1C(O)C(O)C(CO)OC1O)C,
,,6GVR,,,,,,,
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1007,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,TRS:A:1006,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NA:A:1012,Part of Protein,,,,,[Na+],
,,,NA:A:1011,Part of Protein,,,,,[Na+],
,,,NDG GLA NAG GLC RAM:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(C)O3)O2)C(CO)OC(OC2C(O)C(CO)OC(O)C2NC(=O)C)C1O)C,
,,6GVP,,,,,,,
,,,NA:A:1013,Part of Protein,,,,,[Na+],
,,,NA:A:1012,Part of Protein,,,,,[Na+],
,,,NA:A:1011,Part of Protein,,,,,[Na+],
,,,FMT:A:1008,invalid,,,,,C(=O)O,
,,,FMT:A:1009,invalid,,,,,C(=O)O,
,,,FMT:A:1010,invalid,,,,,C(=O)O,
,,,TRS:A:1007,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NDG GLA GLC NAG GLC RAM:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(C)O3)O2)C(CO)OC(OC2C(O)C(COC3C(O)C(O)C(O)C(CO)O3)OC(O)C2NC(=O)C)C1O)C,
,,2VJJ,,,,,,,
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CL:A:711,invalid,,,,,[Cl-],
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:718,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:719,invalid,,,,,C(C(CO)O)O,
,,,K:A:712,invalid,,,,,[K+],
,,,NAG GAL GLC NAG GLC RAM:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(O)C2NC(=O)C)OC(CO)C1)C.O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(O)C(C)O1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,2R0H,,,,,,,
,,,NAG NAG NAG:H:1,valid,Kd,=,310,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:E:1,valid,Kd,=,310,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:G:1,valid,Kd,=,310,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:F:1,valid,Kd,=,310,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4NB5,,,,,,,
,,,2JT:C:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,
,,,2JT:B:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO,
,Family. Representative Entry is ,2VDY,,,,,,,
,,,HCY:A:1384,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,HCY:B:1384,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,Family. Representative Entry is ,3QDU,,,,,,,
,,,NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1JPC,,,,,,,
,,,MAN MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,1MSA,,,,,,,
,,,MMA:A:110,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:111,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:A:112,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:110,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:111,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:112,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:110,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:111,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:112,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:110,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:111,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:112,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,5Z1N,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,PEF:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,
,,,LHG:A:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,2PHF,,,,,,,
,,,CA:A:256,Part of Protein,,,,,[Ca+2],
,,,CA:B:258,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:255,Part of Protein,,,,,[Mn+2],
,,,MN:B:257,Part of Protein,,,,,[Mn+2],
,,,BMA MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2GH9,,,,,,,
,,,GLC GLC GLC:B:1,valid,Kd,=,1,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1XMV,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,1XMS,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:701,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6LU3,,,,,,,
,,,HDH:A:601,valid,,,,,c1cc(ccc1C(=O)NN)O,
,Family. Representative Entry is ,4A6F,,,,,,,
,,,PO4:A:1583,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1586,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SEP:A:1584,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:A:1585,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:B:1584,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:B:1585,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,6IJB,,,,,,,
,,,A8C:B:603,valid,,,,,CSCCC(=O)O,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,B3P:B:602,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,6IHK,,,,,,,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6J67,,,,,,,
,,,3FB PHE B8R LEU ALA PRO:C:1,valid,Ki,=,14.3,uM,O=C(NC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N2C(C(=O)NC(C(=O)N(C)C)CCCCCCC1)CCC2)C(NC(=O)CC([NH3+])Cc1ccccc1)Cc1ccccc1,
,Family. Representative Entry is ,4Z2S,,,,,,,
,,,NAG:B:203,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:203,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MPD:B:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4Z2Q,,,,,,,
,,,NAG:B:204,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:203,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MPD:B:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NDG:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:203,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1L7Z,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,GLY GLY LYS LEU SER LYS LYS LYS LYS MYR:B:201,valid,Kd,=,3,nM,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)CCCC[NH3+])CC(C)C)CO,
,,3IF7,,,,,,,
,,,CA:A:149,Part of Protein,,,,,[Ca+2],
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,SPU:A:153,valid,Kd,=,61,nM,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,,SPU:A:154,valid,Kd,=,61,nM,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,,SPU:A:155,valid,Kd,=,61,nM,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,,SPU:A:156,valid,Kd,=,61,nM,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,1QIW,,,,,,,
,,,CA:A:149,Part of Protein,,,,,[Ca+2],
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,CA:B:149,Part of Protein,,,,,[Ca+2],
,,,CA:B:150,Part of Protein,,,,,[Ca+2],
,,,CA:B:151,Part of Protein,,,,,[Ca+2],
,,,CA:B:152,Part of Protein,,,,,[Ca+2],
,,,DPD:A:153,valid,Kd,=,18,nM,CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3,
,,,DPD:A:154,valid,Kd,=,18,nM,CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3,
,,,DPD:B:154,valid,Kd,=,18,nM,CCCCOc1ccc(cc1OCCCC)[C@@H](C)NCCCNCCC(c2ccccc2)c3ccccc3,
,,1LIN,,,,,,,
,,,CA:A:149,Part of Protein,,,,,[Ca+2],
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,TFP:A:153,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:154,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:155,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:156,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,6OS4,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,5U0:A:205,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)OC)N)/C)/C)C,
,,1CTR,,,,,,,
,,,CA:A:149,Part of Protein,,,,,[Ca+2],
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,TFP:A:153,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,1XA5,,,,,,,
,,,CA:A:149,Part of Protein,,,,,[Ca+2],
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,CA:A:152,Part of Protein,,,,,[Ca+2],
,,,KAR:A:153,valid,Kd,=,316,nM,CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@](C[C@]71C(=O)N(C(=O)O1)CCCl)(C=CC9)CC)C)C(=O)OC)O,
,,6O5G,,,,,,,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,ZN:A:206,Part of Protein,,,,,[Zn+2],
,,,LMJ:A:201,valid,Kd,=,2,uM,CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,6EEB,,,,,,,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,J6P:A:201,valid,Kd,=,5,uM,CC1(c2c(c3cc(c(cc3[nH]2)Cl)Cl)C[C@]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C,
,,,ZN:A:206,Part of Protein,,,,,[Zn+2],
,,6M7H,,,,,,,
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,KN9:A:202,valid,,,,,CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC,
,,,KN9:A:203,valid,,,,,CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC,
,,,KN9:A:201,valid,,,,,CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=O)(=O)c3ccc(cc3)OC,
,Family. Representative Entry is ,5YXC,,,,,,,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1SWG,,,,,,,
,,,BTN:A:600,valid,Kd,=,43.9,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:700,valid,Kd,=,43.9,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:800,valid,Kd,=,43.9,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:D:900,valid,Kd,=,43.9,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,4GDA,,,,,,,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5003,invalid,,,,,C(C(CO)O)O,
,,,BTN:B:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,EOH:B:5005,invalid,,,,,CCO,
,,,SO4:B:5003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GD9,,,,,,,
,,,BTN:D:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:5001,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:D:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5IUC,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,A2G GAL SIA:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL SIA:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,3O0W,,,,,,,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN GLC:B:1,valid,Kd,=,0.7,uM,O(C1C(O)C(O)C(CO)OC1O)C1C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,3O0X,,,,,,,
,,,CA:A:377,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN GLC:C:1,valid,Kd,=,0.7,uM,O(C1C(O)C(O)C(CO)OC1O)C1C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MAN MAN MAN GLC:D:1,valid,Kd,=,0.7,uM,O(C1C(O)C(O)C(CO)OC1O)C1C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6GX6,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,A   C   A   C  :B:1,valid,Kd,=,4.7,uM,,
,,6FQR,,,,,,,
,,,C   C   C   C  :C:1,valid,Kd,=,35,uM,,
,Family. Representative Entry is ,4BCS,,,,,,,
,,,BTN:A:1128,valid,Kd,=,103,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:1128,valid,Kd,=,103,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,ACT:A:1126,invalid,,,,,CC(=O)[O-],
,,,PO4:B:1123,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1129,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:1127,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6M5M,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,NAG:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2BQP,,,,,,,
,,,CA:A:235,Part of Protein,,,,,[Ca+2],
,,,CA:B:235,Part of Protein,,,,,[Ca+2],
,,,GLC:A:337,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:338,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:236,Part of Protein,,,,,[Mn+2],
,,,MN:B:236,Part of Protein,,,,,[Mn+2],
,,5T7P,,,,,,,
,,,XMM:B:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,XMM:A:303,valid,,,,,c1cc(c(c2c1[nH]cc2O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl)Br,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1UW1,,,,,,,
,,,ADP:A:1074,valid,Kd,~,100,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:1075,Part of Protein,,,,,[Zn+2],
,,2P09,,,,,,,
,,,1PE:A:400,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ATP:A:500,valid,Kd,=,450,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:300,invalid,,,,,[Cl-],
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,,3DGL,,,,,,,
,,,ATP:A:81,valid,Kd,=,250,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PEG:A:82,invalid,,,,,C(COCCO)O,
,,,PEG:A:83,invalid,,,,,C(COCCO)O,
,,,PEG:A:84,invalid,,,,,C(COCCO)O,
,,,ZN:A:80,Part of Protein,,,,,[Zn+2],
,,3DGO,,,,,,,
,,,ATP:A:82,valid,Kd,=,180,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:81,invalid,,,,,[Cl-],
,,,PEG:A:83,invalid,,,,,C(COCCO)O,
,,,PEG:A:84,invalid,,,,,C(COCCO)O,
,,,PEG:A:85,invalid,,,,,C(COCCO)O,
,,,ZN:A:80,Part of Protein,,,,,[Zn+2],
,,3LTC,,,,,,,
,,,ATP:A:81,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:84,invalid,,,,,[Cl-],
,,,PEG:A:82,invalid,,,,,C(COCCO)O,
,,,PEG:A:83,invalid,,,,,C(COCCO)O,
,,,ZN:A:80,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5ORG,,,,,,,
,,,ACT:B:315,invalid,,,,,CC(=O)[O-],
,,,ACT:B:314,invalid,,,,,CC(=O)[O-],
,,,ACT:A:322,invalid,,,,,CC(=O)[O-],
,,,ACT:A:323,invalid,,,,,CC(=O)[O-],
,,,ACT:A:324,invalid,,,,,CC(=O)[O-],
,,,ACT:B:316,invalid,,,,,CC(=O)[O-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:314,invalid,,,,,[Cl-],
,,,CL:A:319,invalid,,,,,[Cl-],
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:318,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:308,invalid,,,,,[Na+],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:A:309,invalid,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:B:307,Part of Protein,,,,,[Na+],
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,6DB:A:321,valid,Kd,=,0.009,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,,,6DB:B:313,valid,Kd,=,0.009,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)N[C@H](C)C(=O)O,
,Family. Representative Entry is ,1RXQ,,,,,,,
,,,GLU SER ALA THR SER GLY:D:501,valid,,,,,,
,,,NI:A:300,Part of Protein,,,,,[Ni+2],
,,,NI:B:300,Part of Protein,,,,,[Ni+2],
,,,NI:C:300,Part of Protein,,,,,[Ni+2],
,,,NI:D:300,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1A78,,,,,,,
,,,DTT:A:136,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,YIO GAL:F:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:E:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1GAN,,,,,,,
,,,NDG GAL:D:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5DUX,,,,,,,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,FMT:D:203,invalid,,,,,C(=O)O,
,,,BGC GAL FUC:E:1,valid,Kd,=,380,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,BGC GAL FUC:F:1,valid,Kd,=,380,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,5DUW,,,,,,,
,,,BGC SGA:E:1,valid,Kd,=,510,uM,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:H:1,valid,Kd,=,510,uM,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:G:1,valid,Kd,=,510,uM,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:F:1,valid,Kd,=,510,uM,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,5DUV,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,ACT:C:203,invalid,,,,,CC(=O)[O-],
,,,ACT:D:203,invalid,,,,,CC(=O)[O-],
,,,BGC GAL:H:1,valid,Kd,=,1300,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,Kd,=,1300,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,Kd,=,1300,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,Kd,=,1300,uM,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3EYK,,,,,,,
,,,EYK:B:173,valid,,,,,CC(C)(C)c1cc(ccc1O)O,
,Family. Representative Entry is ,4EKV,,,,,,,
,,,BTN:A:201,valid,Kd,=,0.000000064,M,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,CL:A:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6EQ8,,,,,,,
,,,CA:C:717,Part of Protein,,,,,[Ca+2],
,,,CA:A:720,Part of Protein,,,,,[Ca+2],
,,,CA:D:709,Part of Protein,,,,,[Ca+2],
,,,CA:C:715,invalid,,,,,[Ca+2],
,,,CA:A:721,Part of Protein,,,,,[Ca+2],
,,,CA:C:714,Part of Protein,,,,,[Ca+2],
,,,CA:A:718,Part of Protein,,,,,[Ca+2],
,,,CA:B:709,Part of Protein,,,,,[Ca+2],
,,,CA:B:707,invalid,,,,,[Ca+2],
,,,CA:A:719,Part of Protein,,,,,[Ca+2],
,,,CA:B:708,Part of Protein,,,,,[Ca+2],
,,,CA:C:716,invalid,,,,,[Ca+2],
,,,CA:A:717,Part of Protein,,,,,[Ca+2],
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:D:719,invalid,,,,,[Cl-],
,,,CL:B:711,invalid,,,,,[Cl-],
,,,CL:C:724,invalid,,,,,[Cl-],
,,,CL:C:737,invalid,,,,,[Cl-],
,,,CL:C:735,invalid,,,,,[Cl-],
,,,CL:B:720,invalid,,,,,[Cl-],
,,,CL:D:717,invalid,,,,,[Cl-],
,,,CL:D:715,invalid,,,,,[Cl-],
,,,CL:C:730,invalid,,,,,[Cl-],
,,,CL:B:718,invalid,,,,,[Cl-],
,,,CL:D:720,invalid,,,,,[Cl-],
,,,CL:C:726,invalid,,,,,[Cl-],
,,,CL:C:725,invalid,,,,,[Cl-],
,,,CL:D:716,invalid,,,,,[Cl-],
,,,CL:A:725,invalid,,,,,[Cl-],
,,,CL:B:714,invalid,,,,,[Cl-],
,,,CL:B:719,invalid,,,,,[Cl-],
,,,CL:C:734,invalid,,,,,[Cl-],
,,,CL:C:732,invalid,,,,,[Cl-],
,,,CL:C:728,invalid,,,,,[Cl-],
,,,CL:A:726,invalid,,,,,[Cl-],
,,,CL:D:721,invalid,,,,,[Cl-],
,,,CL:B:717,invalid,,,,,[Cl-],
,,,CL:C:729,invalid,,,,,[Cl-],
,,,CL:B:713,invalid,,,,,[Cl-],
,,,CL:C:733,invalid,,,,,[Cl-],
,,,CL:A:727,invalid,,,,,[Cl-],
,,,CL:B:721,invalid,,,,,[Cl-],
,,,CL:B:716,invalid,,,,,[Cl-],
,,,CL:B:715,invalid,,,,,[Cl-],
,,,CL:C:736,invalid,,,,,[Cl-],
,,,CL:C:731,invalid,,,,,[Cl-],
,,,CL:A:728,invalid,,,,,[Cl-],
,,,CL:D:718,invalid,,,,,[Cl-],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:C:702,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:C:704,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:C:709,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:C:703,invalid,,,,,C(CO)O,
,,,EDO:C:711,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:C:707,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:C:706,invalid,,,,,C(CO)O,
,,,EDO:D:704,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:C:710,invalid,,,,,C(CO)O,
,,,EDO:C:708,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:C:701,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:D:705,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:C:705,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:D:707,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:C:712,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,PEG:D:711,invalid,,,,,C(COCCO)O,
,,,PEG:C:721,invalid,,,,,C(COCCO)O,
,,,PEG:D:710,invalid,,,,,C(COCCO)O,
,,,PEG:D:712,invalid,,,,,C(COCCO)O,
,,,PEG:A:722,invalid,,,,,C(COCCO)O,
,,,PEG:C:718,invalid,,,,,C(COCCO)O,
,,,PEG:C:720,invalid,,,,,C(COCCO)O,
,,,PEG:B:710,invalid,,,,,C(COCCO)O,
,,,PEG:C:719,invalid,,,,,C(COCCO)O,
,,,PG4:C:723,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:714,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:724,invalid,,,,,C(COCCOCCOCCO)O,
,,,BQZ:A:716,valid,Kd,=,0.12,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O,
,,,BQZ:B:706,valid,Kd,=,0.12,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O,
,,,BQZ:C:713,valid,Kd,=,0.12,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O,
,,,BQZ:D:708,valid,Kd,=,0.12,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)O)O)O)O,
,,,P4G:A:723,invalid,,,,,CCOCCOCCOCC,
,,,P4G:D:713,invalid,,,,,CCOCCOCCOCC,
,,,P4G:C:722,invalid,,,,,CCOCCOCCOCC,
,,6EQ0,,,,,,,
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:A:717,invalid,,,,,[Cl-],
,,,CL:B:714,invalid,,,,,[Cl-],
,,,CL:A:716,invalid,,,,,[Cl-],
,,,CL:A:723,invalid,,,,,[Cl-],
,,,CL:A:721,invalid,,,,,[Cl-],
,,,CL:A:718,invalid,,,,,[Cl-],
,,,CL:B:717,invalid,,,,,[Cl-],
,,,CL:A:715,invalid,,,,,[Cl-],
,,,CL:B:713,invalid,,,,,[Cl-],
,,,CL:B:716,invalid,,,,,[Cl-],
,,,CL:B:718,invalid,,,,,[Cl-],
,,,CL:B:715,invalid,,,,,[Cl-],
,,,CL:A:720,invalid,,,,,[Cl-],
,,,CL:A:719,invalid,,,,,[Cl-],
,,,CL:A:722,invalid,,,,,[Cl-],
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,CA:B:723,invalid,,,,,[Ca+2],
,,,CA:B:720,invalid,,,,,[Ca+2],
,,,CA:A:727,invalid,,,,,[Ca+2],
,,,CA:B:719,Part of Protein,,,,,[Ca+2],
,,,CA:A:734,invalid,,,,,[Ca+2],
,,,CA:A:725,Part of Protein,,,,,[Ca+2],
,,,CA:A:724,Part of Protein,,,,,[Ca+2],
,,,CA:A:731,invalid,,,,,[Ca+2],
,,,CA:B:721,invalid,,,,,[Ca+2],
,,,CA:A:729,Part of Protein,,,,,[Ca+2],
,,,CA:A:726,invalid,,,,,[Ca+2],
,,,CA:A:728,Part of Protein,,,,,[Ca+2],
,,,CA:A:730,Part of Protein,,,,,[Ca+2],
,,,CA:B:722,invalid,,,,,[Ca+2],
,,,CA:A:732,invalid,,,,,[Ca+2],
,,,CA:A:735,Part of Protein,,,,,[Ca+2],
,,,CA:A:733,invalid,,,,,[Ca+2],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:708,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,GLA:A:701,valid,Kd,=,24,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:701,valid,Kd,=,24,uM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,6EQ1,,,,,,,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,CA:B:723,invalid,,,,,[Ca+2],
,,,CA:B:725,invalid,,,,,[Ca+2],
,,,CA:A:706,invalid,,,,,[Ca+2],
,,,CA:B:721,Part of Protein,,,,,[Ca+2],
,,,CA:A:705,invalid,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:724,invalid,,,,,[Ca+2],
,,,CA:A:704,invalid,,,,,[Ca+2],
,,,CA:B:722,invalid,,,,,[Ca+2],
,,,PEG:B:707,invalid,,,,,C(COCCO)O,
,,,PEG:B:705,invalid,,,,,C(COCCO)O,
,,,PEG:B:703,invalid,,,,,C(COCCO)O,
,,,PEG:B:706,invalid,,,,,C(COCCO)O,
,,,PEG:B:704,invalid,,,,,C(COCCO)O,
,,,PEG:B:702,invalid,,,,,C(COCCO)O,
,,,PEG:B:708,invalid,,,,,C(COCCO)O,
,,,PEG:A:701,invalid,,,,,C(COCCO)O,
,,,PG4:B:701,invalid,,,,,C(COCCOCCOCCO)O,
,,,TTV GLC ZCD GLA:D:1,valid,Kd,=,24.6,uM,,
,,,TTV GLC ZCD GLA:C:1,valid,Kd,=,24.6,uM,,
,,6EPZ,,,,,,,
,,,NA:C:710,invalid,,,,,[Na+],
,,,NA:C:707,Part of Protein,,,,,[Na+],
,,,NA:B:712,Part of Protein,,,,,[Na+],
,,,NA:D:705,invalid,,,,,[Na+],
,,,NA:B:710,Part of Protein,,,,,[Na+],
,,,NA:A:711,invalid,,,,,[Na+],
,,,NA:A:709,invalid,,,,,[Na+],
,,,NA:D:708,Part of Protein,,,,,[Na+],
,,,NA:B:711,invalid,,,,,[Na+],
,,,NA:C:709,Part of Protein,,,,,[Na+],
,,,NA:C:708,invalid,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:C:713,Part of Protein,,,,,[Na+],
,,,NA:C:706,invalid,,,,,[Na+],
,,,NA:C:712,Part of Protein,,,,,[Na+],
,,,NA:A:712,invalid,,,,,[Na+],
,,,NA:C:711,Part of Protein,,,,,[Na+],
,,,NA:D:706,invalid,,,,,[Na+],
,,,NA:C:705,invalid,,,,,[Na+],
,,,NA:B:708,invalid,,,,,[Na+],
,,,NA:D:707,Part of Protein,,,,,[Na+],
,,,NA:B:705,invalid,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,NA:B:707,invalid,,,,,[Na+],
,,,NA:B:713,Part of Protein,,,,,[Na+],
,,,NA:B:709,invalid,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,MG:B:701,invalid,,,,,[Mg+2],
,,,MG:A:702,invalid,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:702,invalid,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:C:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:D:703,invalid,,,,,C(CO)O,
,,,CL:D:709,invalid,,,,,[Cl-],
,,,PEG:D:710,invalid,,,,,C(COCCO)O,
,,,GLC GLA:G:1,valid,Kd,=,0.76,uM,,
,,,GLC GLA:H:1,valid,Kd,=,0.76,uM,,
,,,GLC GLA:E:1,valid,Kd,=,0.76,uM,,
,,,GLC GLA:F:1,valid,Kd,=,0.76,uM,,
,Family. Representative Entry is ,1HQL,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MBG GLA:C:1,valid,,,,,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,MBG GLA:E:1,valid,,,,,O(C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4ZES,,,,,,,
,,,MMA:A:301,valid,Ki,=,9.4,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:301,valid,Ki,=,9.4,mM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6HTN,,,,,,,
,,,MFU:B:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:F:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:D:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:E:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:F:202,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:C:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:203,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:F:201,valid,Kd,=,0.86,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MRD:F:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:204,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,EDO:E:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:C:206,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,PE8:B:205,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1LN1,,,,,,,
,,,DLP:A:2313,valid,,,,,CCCCCC=C/CC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CC=C/CCCCC,
,Family. Representative Entry is ,3O3U,,,,,,,
,,,SO4:N:6581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC:A:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1EHH,,,,,,,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4GKY,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3UDG,,,,,,,
,,,TMP:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:303,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,2J5Z,,,,,,,
,,,ACT:A:1279,invalid,,,,,CC(=O)[O-],
,,,CA:A:1277,Part of Protein,,,,,[Ca+2],
,,,CA:B:1277,Part of Protein,,,,,[Ca+2],
,,,CA:C:1277,Part of Protein,,,,,[Ca+2],
,,,GAL:A:1278,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,2J60,,,,,,,
,,,ABE:A:1277,valid,,,,,C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O,
,,,ABE:B:1277,valid,,,,,C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O,
,,,ACT:A:1279,invalid,,,,,CC(=O)[O-],
,,,CA:A:1278,Part of Protein,,,,,[Ca+2],
,,,CA:B:1278,Part of Protein,,,,,[Ca+2],
,,,CA:C:1277,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4TSM,,,,,,,
,,,TMO:C:1204,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1201,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1205,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1206,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:C:1201,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:C:1202,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:C:1206,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1207,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:1205,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1204,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:1202,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1203,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1208,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:1203,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:C:1205,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:C:1203,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:1202,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:1204,invalid,,,,,C[N+](C)(C)[O-],
,,,TMO:B:1201,invalid,,,,,C[N+](C)(C)[O-],
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,2XD3,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Ka,=,83000,M^-1,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,SO4:A:1424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1425,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3LGF,,,,,,,
,,,PGE:A:201,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:202,invalid,,,,,C(COCCOCCO)O,
,,,SER SER HIS LEU MLY SER LYS LYS GLY GLN:B:370,valid,,,,,O=CC([NH3+])CCCC[NH+](C)C,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2IG0,,,,,,,
,,,LYS ARG HIS ARG MLY VAL LEU ARG ASP ASN:B:19,valid,,,,,O=C(NC(CCCC[NH+](C)C)C)C(N)CCCNC(=[NH2+])N,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6SLO,,,,,,,
,,,LJT:D:601,valid,ic50,=,178.1,uM,COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl,
,,,LJT:C:601,valid,ic50,=,178.1,uM,COc1cc2c(cc1OC)Sc3ccc(cc3N2CCCN4CCN(CC4)CCO)Cl,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,6LUR,,,,,,,
,,,EVU:B:602,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:C:601,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:D:601,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:B:603,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:C:602,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:D:602,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:E:601,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,,,EVU:B:601,valid,Kd,=,195,uM,c1ccc(c(c1)c2ccc(cc2)CN)N3CCNC(=O)C3,
,Family. Representative Entry is ,5H4S,,,,,,,
,,,RAM:A:302,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:301,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:303,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2VQZ,,,,,,,
,,,MGT:A:1483,valid,Kd,=,177,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:1483,valid,Kd,=,177,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:D:1483,valid,Kd,=,177,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:E:1483,valid,Kd,=,177,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:F:1483,valid,Kd,=,177,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3WH2,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,FLC:A:303,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3ZW0,,,,,,,
,,,FUC:C:90,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,2BOI,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:600,Part of Protein,,,,,[Ca+2],
,,,MFU:A:400,valid,ic50,=,48,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:700,valid,ic50,=,48,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,2BV4,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,CA:B:200,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,MMA:A:400,valid,ic50,=,600,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:400,valid,ic50,=,600,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1JC9,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,NAG:A:270,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4WN0,,,,,,,
,,,G3P:A:409,valid,ic50,=,0.6,mM,C([C@H](COP(=O)(O)O)O)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,1PE:A:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:408,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2UVJ,,,,,,,
,,,ADA ADA ADA:B:1,valid,Kd,=,5.3,uM,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)COC2C(=O)[O-])O1,
,,2UVI,,,,,,,
,,,ADA AQA:B:1,valid,Kd,=,310.5,uM,O=C([O-])C1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,,2UVH,,,,,,,
,,,ADA ADA:B:1,valid,Kd,=,84.4,uM,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1WS4,,,,,,,
,,,AMG:E:503,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,GYP:A:501,valid,Kd,=,1,mM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:C:502,valid,Kd,=,1,mM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:G:504,valid,Kd,=,1,mM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1IXI,,,,,,,
,,,2HP:A:322,valid,Kd,=,0.36,uM,OP(=O)(O)[O-],
,,1A55,,,,,,,
,,,2HP:A:322,valid,,,,,OP(=O)(O)[O-],
,Family. Representative Entry is ,6I8X,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,VCA:A:201,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,VCA:B:201,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,TAM:A:210,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:A:209,invalid,,,,,C(CO)C(CCO)(CCO)N,
,Family. Representative Entry is ,2WOK,,,,,,,
,,,ARG PRO PRO GLY PHE SER PRO PHE ARG:B:1,valid,,,,,O=C(NC(C=O)Cc1ccccc1)CNC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1.O=CC(N)CCCNC(=[NH2+])N,
,,,GOL:A:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1562,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6V40,,,,,,,
,,,API:A:201,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:B:201,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:C:201,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:D:201,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3CX8,,,,,,,
,,,GSP:A:755,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:378,Part of Protein,,,,,[Mg+2],
,,3CX7,,,,,,,
,,,ALF:A:775,valid,,,,,F[Al-](F)(F)F,
,,,GDP:A:875,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:378,Part of Protein,,,,,[Mg+2],
,,3CX6,,,,,,,
,,,GDP:A:775,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:675,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4OZ1,,,,,,,
,,,LYS ARG LYS SER ARG TRP ASP GLU THR PRO:C:335,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)CCC(=O)[O-])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N)CO)C)CCCNC(=[NH2+])N)C([NH3+])CCCC[NH3+],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,LYS:A:603,invalid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,K:A:601,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,5LQ8,,,,,,,
,,,GB:A:402,valid,Kd,=,108.8,uM,CP(=O)(O)O,
,,,GB:A:401,valid,Kd,=,108.8,uM,CP(=O)(O)O,
,Family. Representative Entry is ,3SAO,,,,,,,
,,,DBH:B:162,valid,,,,,c1cc(c(c(c1)O)O)C(=O)O,
,,,FE:B:163,invalid,,,,,[Fe+3],
,,,GOL:B:164,invalid,,,,,C(C(CO)O)O,
,,,NKN:A:161,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,NKN:B:161,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,Family. Representative Entry is ,1Y4C,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5MUA,,,,,,,
,,,GAL:B:301,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:301,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,E64:B:302,invalid,,,,,CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O,
,,,E64:A:304,invalid,,,,,CC(C)C[C@@H](C(=O)NCCCCNC(=[NH2+])N)NC(=O)[C@H](CC(=O)O)O,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,3PHZ,,,,,,,
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6WBJ,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,invalid,,,,,[Zn+2],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6WBH,,,,,,,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,invalid,,,,,[Zn+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4WVW,,,,,,,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,GLC GAL SIA:B:1,valid,,,,,,
,,4WVV,,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,1NMU,,,,,,,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,4XB4,,,,,,,
,,,45D:A:201,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,,,45D:B:201,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,Family. Representative Entry is ,4USO,,,,,,,
,,,NAG FUC GAL SIA:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1Y7I,,,,,,,
,,,SAL:A:501,valid,Kd,=,90,nM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:502,valid,Kd,=,90,nM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:503,valid,Kd,=,90,nM,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,5CJ3,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CU:A:202,invalid,,,,,[Cu+2],
,,,CU:B:202,invalid,,,,,[Cu+2],
,,,52G:A:201,valid,,,,,[H]/N=C(CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N,
,,,52G:B:201,valid,,,,,[H]/N=C(CCNC(=O)c1csc(n1)[C@H]2CSC(=N2)CCNC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](C)[C@@H]([C@@H](CCO)NC(=O)[C@H]([C@H](c3c[nH]cn3)O[C@H]4[C@H]([C@H]([C@@H]([C@@H](O4)C)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)N)C)O)/N,
,Family. Representative Entry is ,4YLZ,,,,,,,
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL NAG GAL:G:1,valid,Kd,=,270,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:F:1,valid,Kd,=,270,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:H:1,valid,Kd,=,270,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:E:1,valid,Kd,=,270,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,5CBL,,,,,,,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,BME:B:402,invalid,,,,,C(CS)O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4YM0,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,BGC GAL NAG GAL:F:1,valid,Kd,=,510,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:G:1,valid,Kd,=,510,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,4YM2,,,,,,,
,,,BGC SGA:E:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC SGA:F:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)[O-],
,,,BGC GAL:G:1,valid,Kd,=,1400,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,Kd,=,1400,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,4YM3,,,,,,,
,,,BGC GAL:G:1,valid,Kd,=,1900,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,Kd,=,1900,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,Kd,=,1900,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,Kd,=,1900,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,4YM1,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL FUC:F:1,valid,Kd,=,580,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,BGC GAL FUC:E:1,valid,Kd,=,580,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3QDV,,,,,,,
,,,A2G:A:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:144,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:145,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,4CSD,,,,,,,
,,,MFU:A:303,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:306,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:305,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:303,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:301,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:304,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:305,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:302,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:302,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:306,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:301,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:304,valid,Kd,=,1.23,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1M26,,,,,,,
,,,A2G GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:L:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:K:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1MJH,,,,,,,
,,,ATP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:4001,invalid,,,,,[Mn+2],
,,,MN:B:4002,invalid,,,,,[Mn+2],
,Family. Representative Entry is ,3WUC,,,,,,,
,,,MLA:B:201,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:204,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:203,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:205,invalid,,,,,C(C(=O)O)C(=O)O,
,,,GLC GAL:C:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,4U5X,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3Q85,,,,,,,
,,,GNP:A:283,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:283,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:284,Part of Protein,,,,,[Mg+2],
,,,MG:B:284,Part of Protein,,,,,[Mg+2],
,,,SCN:A:2,invalid,,,,,C(#N)[S-],
,,,SCN:B:1,invalid,,,,,C(#N)[S-],
,,,SCN:B:3,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,1MID,,,,,,,
,,,LAP:A:92,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,LAP:A:93,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,,,LAP:A:94,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O,
,Family. Representative Entry is ,1IS3,,,,,,,
,,,MES:A:777,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1WLW,,,,,,,
,,,MES:A:777,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC GAL:B:1,valid,,,,,,
,,1IS4,,,,,,,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1WLD,,,,,,,
,,,MES:A:777,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2GCO,,,,,,,
,,,GNP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1003,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6FOF,,,,,,,
,,,SO4:J:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:M:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:W:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:V:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:X:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:O:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:R:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:Q:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:U:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:T:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:P:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:N:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:S:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1NPL,,,,,,,
,,,MAN:E:2,valid,Kd,=,2,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:1,valid,Kd,=,2,mM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:B:1,valid,Kd,=,2,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,Kd,=,2,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:1,valid,Kd,=,2,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,PO4:A:150,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:151,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:152,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6D50,,,,,,,
,,,GCB:B:903,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,GCB:A:903,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3K00,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,Kd,=,1.7,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,3K02,,,,,,,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TXT:A:405,valid,Kd,=,10,uM,C[C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)N[C@H]5CC([C@@H]([C@H]([C@@H]5O)O)O)CO,
,,3JZJ,,,,,,,
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC AC1:B:1,valid,Kd,=,248,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,5NFB,,,,,,,
,,,8VT:A:301,valid,Kd,=,0.77,uM,CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3cccc(c3)OC)O)O)NC(=O)c4cccc(c4)OC,
,,5NF7,,,,,,,
,,,TVD GAL:B:1,valid,Kd,=,37.5,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1NC(=O)C)C,
,Family. Representative Entry is ,1K7V,,,,,,,
,,,BGC GAL NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,6XLP,,,,,,,
,,,OLB:A:614,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:613,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:612,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:610,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:609,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:615,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:611,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,OLB:A:616,invalid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO)O,
,,,PG4:A:617,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:619,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:618,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VJ4 KDO VJ1:B:1,valid,,,,,,
,,,3PE:A:620,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,6VGF,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,WA3:C:301,valid,Kd,=,180,uM,c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O,
,,,WA3:B:301,valid,Kd,=,180,uM,c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O,
,,,WA3:D:301,valid,Kd,=,180,uM,c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O,
,,,WA3:A:301,valid,Kd,=,180,uM,c1c(nnn1C[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)Cn4cc(nn4)CSC[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)S[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O)O)CSC[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)S[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O,
,,2DVA,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,SO4:B:2236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1236,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MGC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
,,,MGC GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
,,,MGC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
,,,MGC GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC)C,
,,6VC4,,,,,,,
,,,QWG:C:301,valid,Kd,=,360,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O,
,,,QWG:D:301,valid,Kd,=,360,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O,
,,,QWG:A:301,valid,Kd,=,360,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O,
,,,QWG:B:301,valid,Kd,=,360,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CSC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)S[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O)O)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,2DV9,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,GAL GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,SO4:B:1243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1V6K,,,,,,,
,,,CA:A:233,Part of Protein,,,,,[Ca+2],
,,,CA:B:233,Part of Protein,,,,,[Ca+2],
,,,CA:C:233,Part of Protein,,,,,[Ca+2],
,,,CA:D:233,Part of Protein,,,,,[Ca+2],
,,,MN:A:234,Part of Protein,,,,,[Mn+2],
,,,MN:B:234,Part of Protein,,,,,[Mn+2],
,,,MN:C:234,Part of Protein,,,,,[Mn+2],
,,,MN:D:234,Part of Protein,,,,,[Mn+2],
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:G:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,,1V6L,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,2DVD,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,GAL GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VC3,,,,,,,
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,QWJ:B:301,valid,Kd,=,482,uM,C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,
,,,QWJ:D:301,valid,Kd,=,482,uM,C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,
,,,QWJ:A:301,valid,Kd,=,482,uM,C#CCSC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O,
,,2TEP,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,NGA GAL:H:1,valid,,,,,,
,,,NGA GAL:E:1,valid,,,,,,
,,,NGA GAL:G:1,valid,,,,,,
,,,NGA GAL:F:1,valid,,,,,,
,,6V95,,,,,,,
,,,QSG:D:301,valid,Kd,=,495,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O,
,,,QSG:C:301,valid,Kd,=,495,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O,
,,,QSG:B:301,valid,Kd,=,495,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O,
,,,QSG:A:301,valid,Kd,=,495,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)CNC(=O)[C@@H]([C@H](C(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,6VAV,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,QTY:A:301,valid,Kd,=,690,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O,
,,,QTY:D:301,valid,Kd,=,690,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O,
,,,QTY:B:301,valid,Kd,=,690,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O,
,,,QTY:C:301,valid,Kd,=,690,uM,c1c(nnn1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n4cc(nn4)CNC(=O)CCC(=O)N[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)CNC(=O)CCC(=O)N[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O,
,,2DVB,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,GAL:B:1239,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:2239,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:3239,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NGA GAL:E:1,valid,,,,,,
,,1V6I,,,,,,,
,,,CA:A:1237,Part of Protein,,,,,[Ca+2],
,,,CA:B:2237,Part of Protein,,,,,[Ca+2],
,,,CA:C:3237,Part of Protein,,,,,[Ca+2],
,,,CA:D:4237,Part of Protein,,,,,[Ca+2],
,,,MN:A:1238,Part of Protein,,,,,[Mn+2],
,,,MN:B:2238,Part of Protein,,,,,[Mn+2],
,,,MN:C:3238,Part of Protein,,,,,[Mn+2],
,,,MN:D:4238,Part of Protein,,,,,[Mn+2],
,,,GLC GAL:H:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:G:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,,6VAW,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,S3W:A:301,valid,Kd,=,1563,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,S3W:D:301,valid,Kd,=,1563,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,S3W:B:301,valid,Kd,=,1563,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,,S3W:C:301,valid,Kd,=,1563,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Cn2cc(nn2)CNC(=O)CCC(=O)N[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O,
,,2PEL,,,,,,,
,,,CA:A:237,Part of Protein,,,,,[Ca+2],
,,,CA:B:237,Part of Protein,,,,,[Ca+2],
,,,CA:C:237,Part of Protein,,,,,[Ca+2],
,,,CA:D:237,Part of Protein,,,,,[Ca+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,,,MN:B:238,Part of Protein,,,,,[Mn+2],
,,,MN:C:238,Part of Protein,,,,,[Mn+2],
,,,MN:D:238,Part of Protein,,,,,[Mn+2],
,,,BGC GAL:G:1,valid,Ki,=,1.37,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GAL:E:1,valid,Ki,=,1.37,mM,,
,,,GLC GAL:F:1,valid,Ki,=,1.37,mM,,
,,,GLC GAL:H:1,valid,Ki,=,1.37,mM,,
,Family. Representative Entry is ,1TOQ,,,,,,,
,,,AMG:A:501,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:C:502,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:E:503,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:G:504,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,5UI2,,,,,,,
,,,EQ3:B:402,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,EQ3:A:403,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C,
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6DSP,,,,,,,
,,,PAV:A:401,valid,Kd,=,0.81,uM,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,,,PAV:B:401,valid,Kd,=,0.81,uM,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,Family. Representative Entry is ,6CAM,,,,,,,
,,,BGC:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1OFZ,,,,,,,
,,,FUC:A:1316,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:1318,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:1314,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:1316,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:1313,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:1314,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:1315,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:1317,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1313,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1315,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1317,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1318,valid,Kd,=,24.1,uM,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,1IUC,,,,,,,
,,,FUC:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1IUB,,,,,,,
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:422,invalid,,,,,[Cl-],
,,,FUL:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5MXC,,,,,,,
,,,MFU:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1Q8O,,,,,,,
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,CA:B:1262,Part of Protein,,,,,[Ca+2],
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:261,Part of Protein,,,,,[Mn+2],
,,,MMA MAN:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3PJU,,,,,,,
,,,C2E:A:2256,valid,Kd,=,13.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5C7R,,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3SBZ,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:300,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1W6M,,,,,,,
,,,BME:A:2135,invalid,,,,,C(CS)O,
,,,BME:A:2136,invalid,,,,,C(CS)O,
,,,BME:B:3135,invalid,,,,,C(CS)O,
,,,BME:B:3136,invalid,,,,,C(CS)O,
,,,BME:B:3137,invalid,,,,,C(CS)O,
,,,GAL:A:4000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:4000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:2137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2138,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1UQX,,,,,,,
,,,CA:A:1114,Part of Protein,,,,,[Ca+2],
,,,CA:A:1115,Part of Protein,,,,,[Ca+2],
,,,MMA:A:1116,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,2A4W,,,,,,,
,,,BLM:A:750,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,CU:A:751,invalid,,,,,[Cu+2],
,,1KLL,,,,,,,
,,,MC:A:9138,valid,,,,,CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H]([C@@H]3O)N)COC(=O)N)N,
,,2A4X,,,,,,,
,,,BLM:A:700,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,Family. Representative Entry is ,1G9F,,,,,,,
,,,CA:A:255,Part of Protein,,,,,[Ca+2],
,,,GAL NAG GAL NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)OC(CO)C1O)C,
,,,MN:A:254,Part of Protein,,,,,[Mn+2],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6CRK,,,,,,,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1MDC,,,,,,,
,,,PLM:A:133,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2Y7P,,,,,,,
,,,PEU:A:1305,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,SAL:A:1000,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:1001,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,2Y7K,,,,,,,
,,,SAL:A:1302,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:1303,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1304,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:1305,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:C:1302,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,,,SAL:D:1300,valid,Kd,=,11.8,uM,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,1VPV,,,,,,,
,,,PLM:A:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PO4:A:289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:289,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3ZOD,,,,,,,
,,,FMN:A:173,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HQE:A:1173,valid,,,,,c1cc(ccc1O)O,
,,3ZOC,,,,,,,
,,,FMN:A:173,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:1173,valid,,,,,c1cc(ccc1C=O)O,
,,3ZOG,,,,,,,
,,,A2Q:A:200,valid,,,,,C1CC=CC(=O)C1,
,,,FMN:A:173,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2C4I,,,,,,,
,,,BTN:A:1274,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:A:1275,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,SO4:A:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6BJO,,,,,,,
,,,DUY:A:201,valid,ic50,=,513,nM,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O,
,,,DUY:B:201,valid,ic50,=,513,nM,CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](C4CCCC4)C(=O)O,
,,6AR4,,,,,,,
,,,BQA:B:201,valid,ic50,=,0.573,uM,c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F,
,,,BQA:A:201,valid,ic50,=,0.573,uM,c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(F)(F)F,
,Family. Representative Entry is ,4FRZ,,,,,,,
,,,MG:B:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,EDO:A:1306,invalid,,,,,C(CO)O,
,,,EDO:B:1304,invalid,,,,,C(CO)O,
,,,EDO:B:1305,invalid,,,,,C(CO)O,
,,,IMD:A:1305,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1304,invalid,,,,,c1c[nH+]c[nH]1,
,,,ADP:B:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2J44,,,,,,,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,ZN:A:1224,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1225,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1226,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3HX3,,,,,,,
,,,RET:A:400,valid,Kd,~,10,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,4CJ6,,,,,,,
,,,RET:A:1307,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,1R1Q,,,,,,,
,,,ACE ARG GLU PTR VAL ASN VAL:C:555,valid,,,,,,
,,,ACE ARG GLU PTR VAL ASN VAL:D:555,valid,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1R1S,,,,,,,
,,,ACE PRO ASP PTR GLU ASN LEU:B:555,valid,,,,,,
,,,ACE PRO ASP PTR GLU ASN LEU:D:555,valid,,,,,,
,,,ACE PRO ASP PTR GLU ASN LEU:F:555,valid,,,,,,
,,,ACE PRO ASP PTR GLU ASN LEU:H:555,valid,,,,,,
,,,SO4:A:3484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:3488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:3482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1R1P,,,,,,,
,,,ACE ASP ASP PTR VAL ASN VAL:E:555,valid,,,,,,
,,,ACE ASP ASP PTR VAL ASN VAL:F:555,valid,,,,,,
,,,ACE ASP ASP PTR VAL ASN VAL:G:555,valid,,,,,,
,,,ACE ASP ASP PTR VAL ASN VAL:H:555,valid,,,,,,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2D3S,,,,,,,
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:507,Part of Protein,,,,,[Ca+2],
,,,CA:C:506,Part of Protein,,,,,[Ca+2],
,,,CA:D:604,Part of Protein,,,,,[Ca+2],
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,MN:B:508,Part of Protein,,,,,[Mn+2],
,,,MN:D:605,Part of Protein,,,,,[Mn+2],
,,,MN:C:507,Part of Protein,,,,,[Mn+2],
,,,NAG:C:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:F:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG:H:1,Part of Protein,,,,,,
,,,NAG FUC NAG:G:1,Part of Protein,,,,,,
,,,NAG FUC NAG:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG:J:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA:I:1,Part of Protein,,,,,,
,,,SER A2G:A:508,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,SER A2G:B:509,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,SER A2G:D:606,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,SER A2G:C:508,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,2DTW,,,,,,,
,,,2GS:A:1401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,2GS:B:2401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,2GS:C:3401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,2GS:D:4401,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:1303,Part of Protein,,,,,[Ca+2],
,,,CA:B:2303,Part of Protein,,,,,[Ca+2],
,,,CA:C:3303,Part of Protein,,,,,[Ca+2],
,,,CA:D:4303,Part of Protein,,,,,[Ca+2],
,,,MN:A:1300,Part of Protein,,,,,[Mn+2],
,,,MN:B:2300,Part of Protein,,,,,[Mn+2],
,,,MN:C:3300,Part of Protein,,,,,[Mn+2],
,,,MN:D:4300,Part of Protein,,,,,[Mn+2],
,,,NAG:D:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:K:1,Part of Protein,,,,,,
,,,NAG FUC NAG:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG:G:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA:I:1,Part of Protein,,,,,,
,,,NAG FUC NDG:H:1,Part of Protein,,,,,,
,,,NAG FUL NAG:J:1,Part of Protein,,,,,,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1WBL,,,,,,,
,,,AMG:A:400,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:400,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:C:400,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:D:400,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:300,Part of Protein,,,,,[Mn+2],
,,,MN:C:300,Part of Protein,,,,,[Mn+2],
,,,MN:D:300,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG:H:1,Part of Protein,,,,,,
,,,NAG FUC NAG:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG:K:1,Part of Protein,,,,,,
,,,NAG FUC NAG:J:1,Part of Protein,,,,,,
,,,NAG FUC NAG:I:1,Part of Protein,,,,,,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2ZMK,,,,,,,
,,,BMA:C:306,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,NAG:C:305,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:H:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:L:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:M:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG:F:1,Part of Protein,,,,,,
,,,NAG FUC NAG:N:1,Part of Protein,,,,,,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EGA GLA:O:1,valid,,,,,,
,,,EGA GLA:G:1,valid,,,,,,
,,,EGA GLA:K:1,valid,,,,,,
,,,EGA GLA:J:1,valid,,,,,,
,Family. Representative Entry is ,4RUS,,,,,,,
,,,1PE:A:305,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:305,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MG:A:307,Part of Protein,,,,,[Mg+2],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:E:306,Part of Protein,,,,,[Mg+2],
,,,MG:C:306,Part of Protein,,,,,[Mg+2],
,,,NDG:D:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:305,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:305,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:F:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:E:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:F:303,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:C:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:305,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:304,valid,Kd,=,0.3,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1SL6,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,CA:B:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,CA:B:4,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:C:2,Part of Protein,,,,,[Ca+2],
,,,CA:C:3,Part of Protein,,,,,[Ca+2],
,,,CA:C:4,Part of Protein,,,,,[Ca+2],
,,,CA:D:1,Part of Protein,,,,,[Ca+2],
,,,CA:D:2,Part of Protein,,,,,[Ca+2],
,,,CA:D:3,Part of Protein,,,,,[Ca+2],
,,,CA:D:4,Part of Protein,,,,,[Ca+2],
,,,CA:E:1,Part of Protein,,,,,[Ca+2],
,,,CA:E:2,Part of Protein,,,,,[Ca+2],
,,,CA:E:3,Part of Protein,,,,,[Ca+2],
,,,CA:E:4,Part of Protein,,,,,[Ca+2],
,,,CA:F:1,Part of Protein,,,,,[Ca+2],
,,,CA:F:2,Part of Protein,,,,,[Ca+2],
,,,CA:F:3,Part of Protein,,,,,[Ca+2],
,,,CA:F:4,Part of Protein,,,,,[Ca+2],
,,,NDG FUC GAL:L:1,valid,,,,,,
,,,NDG FUC GAL:J:1,valid,,,,,,
,,,NDG FUC GAL:I:1,valid,,,,,,
,,,NDG FUC GAL:K:1,valid,,,,,,
,,,NDG FUC GAL:G:1,valid,,,,,,
,,,NDG FUC GAL:H:1,valid,,,,,,
,Family. Representative Entry is ,6UKA,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6PQ1,,,,,,,
,,,45D:A:501,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,Family. Representative Entry is ,3S5X,,,,,,,
,,,BMA MAN MAN MAN MAN:C:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:B:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,3Q9N,,,,,,,
,,,CMS:A:1071,invalid,,,,,CN(CC(=O)O)C(=O)N,
,,,COA:A:1072,valid,Kd,=,130,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1072,valid,Kd,=,130,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,3Q9U,,,,,,,
,,,COA:A:1070,valid,Kd,=,130,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1070,valid,Kd,=,130,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1LSH,,,,,,,
,,,PLD:A:2001,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:A:2002,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:A:2004,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:A:2005,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:A:2006,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:A:2007,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,PLD:B:2003,valid,,,,,CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC,
,,,UPL:A:2008,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2009,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2011,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2012,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2013,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2014,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2015,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2017,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2018,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2019,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2020,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2022,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2024,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2025,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2026,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2029,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2030,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2032,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2034,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2035,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2036,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2037,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2038,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2039,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2040,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2041,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2042,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2047,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2048,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:A:2050,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2010,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2016,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2021,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2023,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2027,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2028,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2031,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2033,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2043,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2044,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2045,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2046,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,,,UPL:B:2049,invalid,,,,,CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCCC,
,Family. Representative Entry is ,4C0R,,,,,,,
,,,CD:A:1257,invalid,,,,,[Cd+2],
,,,CD:A:1252,invalid,,,,,[Cd+2],
,,,CD:B:1250,invalid,,,,,[Cd+2],
,,,CD:A:1263,invalid,,,,,[Cd+2],
,,,CD:A:1240,invalid,,,,,[Cd+2],
,,,CD:A:1254,invalid,,,,,[Cd+2],
,,,CD:B:1259,invalid,,,,,[Cd+2],
,,,CD:A:1265,invalid,,,,,[Cd+2],
,,,CD:B:1248,invalid,,,,,[Cd+2],
,,,CD:B:1241,invalid,,,,,[Cd+2],
,,,CD:B:1255,invalid,,,,,[Cd+2],
,,,CD:A:1267,invalid,,,,,[Cd+2],
,,,CD:A:1249,invalid,,,,,[Cd+2],
,,,CD:B:1246,invalid,,,,,[Cd+2],
,,,CD:A:1253,invalid,,,,,[Cd+2],
,,,CD:A:1266,invalid,,,,,[Cd+2],
,,,CD:A:1244,invalid,,,,,[Cd+2],
,,,CD:A:1241,invalid,,,,,[Cd+2],
,,,CD:B:1254,invalid,,,,,[Cd+2],
,,,CD:B:1252,invalid,,,,,[Cd+2],
,,,CD:A:1243,invalid,,,,,[Cd+2],
,,,CD:A:1250,invalid,,,,,[Cd+2],
,,,CD:A:1247,invalid,,,,,[Cd+2],
,,,CD:A:1251,invalid,,,,,[Cd+2],
,,,CD:B:1243,invalid,,,,,[Cd+2],
,,,CD:B:1258,invalid,,,,,[Cd+2],
,,,CD:B:1251,invalid,,,,,[Cd+2],
,,,CD:B:1247,invalid,,,,,[Cd+2],
,,,CD:B:1249,invalid,,,,,[Cd+2],
,,,CD:A:1255,invalid,,,,,[Cd+2],
,,,CD:B:1244,invalid,,,,,[Cd+2],
,,,CD:B:1245,invalid,,,,,[Cd+2],
,,,CD:B:1242,invalid,,,,,[Cd+2],
,,,CD:A:1246,invalid,,,,,[Cd+2],
,,,CD:B:1256,invalid,,,,,[Cd+2],
,,,CD:A:1245,invalid,,,,,[Cd+2],
,,,CD:B:1257,invalid,,,,,[Cd+2],
,,,CD:A:1242,invalid,,,,,[Cd+2],
,,,CD:A:1248,invalid,,,,,[Cd+2],
,,,CD:A:1256,invalid,,,,,[Cd+2],
,,,CL:A:1259,invalid,,,,,[Cl-],
,,,CL:A:1262,invalid,,,,,[Cl-],
,,,CL:A:1258,invalid,,,,,[Cl-],
,,,CL:A:1261,invalid,,,,,[Cl-],
,,,CL:A:1260,invalid,,,,,[Cl-],
,,,CL:B:1253,invalid,,,,,[Cl-],
,,,GDS:A:500,valid,Kd,=,12.2,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:B:500,valid,Kd,=,12.2,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5M62,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,P6G:B:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:408,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,BGC:A:409,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:B:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1PZX,,,,,,,
,,,PLM:A:702,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:701,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4IRL,,,,,,,
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,NA:B:508,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:C:506,Part of Protein,,,,,[Na+],
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:C:505,invalid,,,,,CC(=O)[O-],
,,,MLI:A:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,1Y0G,,,,,,,
,,,8PP:A:320,valid,,,,,CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C,
,,,8PP:B:321,valid,,,,,CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C,
,,,8PP:C:322,valid,,,,,CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C,
,,,8PP:D:323,valid,,,,,CC(=CCCC(=CCC/C(=C/CC/C(=C/CCC(=CCC/C(=C/CCC(=CCCC(=CCc1ccccc1O)C)C)/C)C)/C)/C)C)C,
,Family. Representative Entry is ,2FMD,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6F7W,,,,,,,
,,,QQ7:C:101,valid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:A:101,valid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,QQ7:B:101,valid,,,,,C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O,
,,,GOL:C:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,NA:B:104,invalid,,,,,[Na+],
,Family. Representative Entry is ,1SLT,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,NDG GAL:D:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:C:1,valid,,,,,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,1SLC,,,,,,,
,,,NDG BMA MAN MAN NAG GAL NAG GAL:F:1,valid,,,,,,
,,,NAG BMA MAN MAN NAG GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,,1SLB,,,,,,,
,,,MAN MAN MAN NAG GAL NAG GAL:F:1,valid,,,,,,
,,,NAG BMA MAN MAN NAG GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,,1SLA,,,,,,,
,,,NAG BMA MAN MAN NAG GAL NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)O1)C,
,Family. Representative Entry is ,2YFZ,,,,,,,
,,,BGC BGC BGC XYS GAL:B:1,valid,Kd,=,0.565,uM,,
,,,CA:A:1141,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1142,invalid,,,,,C(C(CO)O)O,
,,2YB7,,,,,,,
,,,BMA GLA:D:1,valid,,,,,,
,,,BMA GLA:C:1,valid,,,,,,
,,,CA:A:1880,Part of Protein,,,,,[Ca+2],
,,,CA:B:1879,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1879,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1880,invalid,,,,,C(C(CO)O)O,
,,2YG0,,,,,,,
,,,CA:A:1144,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1143,invalid,,,,,C(C(CO)O)O,
,,,BMA GLA:B:1,valid,Kd,=,3.44,mM,,
,Family. Representative Entry is ,3QDX,,,,,,,
,,,A2G GAL:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2IOY,,,,,,,
,,,RIP:A:401,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:B:402,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,4JGX,,,,,,,
,,,PLM:A:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CIT:B:201,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:201,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,2BHW,,,,,,,
,,,CHL:A:609,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:A:610,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:A:611,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:A:612,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:A:613,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:A:614,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:609,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:610,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:611,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:612,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:613,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:B:614,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:609,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:610,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:611,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:612,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:613,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CHL:C:614,Part of Protein,,,,,CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C(=O)c8c7C)C(=O)OC)C)C=C)C=O,
,,,CLA:A:601,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:602,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:603,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:604,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:605,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:606,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:607,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:608,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:601,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:602,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:603,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:604,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:605,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:606,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:607,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:B:608,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:601,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:602,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:603,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:604,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:605,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:606,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:607,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:C:608,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,DGD:A:802,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGD:B:802,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGD:C:802,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,LHG:A:801,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LHG:B:801,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LHG:C:801,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LUX:A:501,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,LUX:A:502,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,LUX:B:501,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,LUX:B:502,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,LUX:C:501,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,LUX:C:502,valid,,,,,CC1=C(C(C[C@H](C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2(C)C)O)C,
,,,NEX:A:503,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)C=CC=C(C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C,
,,,NEX:B:503,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)C=CC=C(C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C,
,,,NEX:C:503,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)C=C=C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)C=CC=C(C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C,
,,,XAT:A:504,valid,,,,,C/C(=CC=CC=C(C=CC=C(C=C[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)C,
,,,XAT:B:504,valid,,,,,C/C(=CC=CC=C(C=CC=C(C=C[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)C,
,,,XAT:C:504,valid,,,,,C/C(=CC=CC=C(C=CC=C(C=C[C@@]12O[C@@]1(C[C@H](CC2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/[C@@]34O[C@@]3(C[C@H](CC4(C)C)O)C)C,
,Family. Representative Entry is ,1ZHS,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:B:810,invalid,,,,,C(CO)O,
,,,EDO:B:818,invalid,,,,,C(CO)O,
,,,EDO:B:824,invalid,,,,,C(CO)O,
,,,EDO:C:814,invalid,,,,,C(CO)O,
,,,EDO:C:819,invalid,,,,,C(CO)O,
,,,EDO:D:815,invalid,,,,,C(CO)O,
,,,EDO:D:816,invalid,,,,,C(CO)O,
,,,EDO:D:820,invalid,,,,,C(CO)O,
,,,EDO:E:802,invalid,,,,,C(CO)O,
,,,EDO:E:803,invalid,,,,,C(CO)O,
,,,EDO:E:821,invalid,,,,,C(CO)O,
,,,EDO:F:804,invalid,,,,,C(CO)O,
,,,EDO:F:809,invalid,,,,,C(CO)O,
,,,EDO:F:822,invalid,,,,,C(CO)O,
,,,EDO:G:807,invalid,,,,,C(CO)O,
,,,EDO:G:808,invalid,,,,,C(CO)O,
,,,EDO:G:811,invalid,,,,,C(CO)O,
,,,EDO:G:812,invalid,,,,,C(CO)O,
,,,EDO:G:813,invalid,,,,,C(CO)O,
,,,EDO:G:826,invalid,,,,,C(CO)O,
,,,EDO:H:823,invalid,,,,,C(CO)O,
,,,EDO:H:825,invalid,,,,,C(CO)O,
,,,NAG NAG BMA MAN MAN:N:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:K:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:M:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:L:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:W:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:X:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:P:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:R:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:V:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:Q:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:S:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:T:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:I:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:U:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:O:1,valid,Kd,=,2.9,uM,,
,,,NAG NAG BMA MAN MAN:J:1,valid,Kd,=,2.9,uM,,
,,,PO4:E:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1HBK,,,,,,,
,,,COA:A:1089,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MYR:A:1090,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,NI:A:1091,Part of Protein,,,,,[Ni+2],
,,,NI:A:1092,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1N8V,,,,,,,
,,,BDD:A:501,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:A:502,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:A:503,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:B:511,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:B:512,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:B:513,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,1N8U,,,,,,,
,,,BDD:A:411,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:A:412,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,,,BDD:A:413,valid,Kd,=,0.93,uM,C(CCCCCCBr)CCCCCO,
,Family. Representative Entry is ,5C9P,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,FUC:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,4AFH,,,,,,,
,,,L0B:A:1216,valid,Ki,=,0.29,nM,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:B:1218,valid,Ki,=,0.29,nM,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:C:1218,valid,Ki,=,0.29,nM,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:D:1218,valid,Ki,=,0.29,nM,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,L0B:E:1218,valid,Ki,=,0.29,nM,CN1[C@@H](CCC[C@@H]1CC(=O)c2ccccc2)C[C@@H](c3ccccc3)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4AFG,,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,QMR:A:1214,valid,Ki,=,5,nM,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:B:1214,valid,Ki,=,5,nM,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:C:1214,valid,Ki,=,5,nM,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:D:1214,valid,Ki,=,5,nM,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,,QMR:E:1214,valid,Ki,=,5,nM,c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3CNC4,
,,4B5D,,,,,,,
,,,NAG:B:677,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:677,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:677,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SW4:A:1213,valid,Ki,=,12.8,nM,c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO,
,,,SW4:B:1213,valid,Ki,=,12.8,nM,c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO,
,,,SW4:C:1213,valid,Ki,=,12.8,nM,c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO,
,,,SW4:D:1213,valid,Ki,=,12.8,nM,c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO,
,,,SW4:E:1213,valid,Ki,=,12.8,nM,c1c(cncc1OC[C@@H]2CCN2)[C@H]3C[C@@H]3CCO,
,Family. Representative Entry is ,1Q8V,,,,,,,
,,,CA:A:262,Part of Protein,,,,,[Ca+2],
,,,CA:B:1262,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MN:A:261,Part of Protein,,,,,[Mn+2],
,,,MN:B:261,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5V13,,,,,,,
,,,JH3:B:301,valid,Kd,=,23.3,nM,C/C(=CCC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C,
,,,JH3:A:301,valid,Kd,=,23.3,nM,C/C(=CCC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C,
,,,JH3:C:301,valid,Kd,=,23.3,nM,C/C(=CCC/C(=C/C(=O)OC)/C)/CC[C@@H]1C(O1)(C)C,
,Family. Representative Entry is ,3AB3,,,,,,,
,,,ALF:A:601,invalid,,,,,F[Al-](F)(F)F,
,,,ALF:C:602,invalid,,,,,F[Al-](F)(F)F,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2XN3,,,,,,,
,,,ID8:A:1356,valid,Kd,=,89,nM,Cc1cccc(c1C)Nc2ccccc2C(=O)O,
,Family. Representative Entry is ,5MB4,,,,,,,
,,,NAG:A:512,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:514,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:513,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MLI:A:507,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NDG:A:509,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:515,valid,Kd,=,0.45,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,3AQX,,,,,,,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
3.2.1.177,,,,,,,,,
,Family. Representative Entry is ,5F7U,,,,,,,
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:A:1105,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,5I0D,,,,,,,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,invalid,,,,,[Mg+2],
,,,MG:B:1103,invalid,,,,,[Mg+2],
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:L:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:M:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:K:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,CL:B:1109,invalid,,,,,[Cl-],
,,,CL:A:1107,invalid,,,,,[Cl-],
,,,CL:B:1106,invalid,,,,,[Cl-],
,,,CL:B:1108,invalid,,,,,[Cl-],
,,,CL:B:1107,invalid,,,,,[Cl-],
,,,CL:A:1108,invalid,,,,,[Cl-],
,,,CL:B:1105,invalid,,,,,[Cl-],
,,,GLC:B:1122,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1124,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,CA:A:1106,Part of Protein,,,,,[Ca+2],
,,,CA:B:1104,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5HXM,,,,,,,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,CA:A:1106,Part of Protein,,,,,[Ca+2],
,,,CL:A:1107,invalid,,,,,[Cl-],
,,,CL:A:1108,invalid,,,,,[Cl-],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,5HPO,,,,,,,
,,,CL:A:1104,invalid,,,,,[Cl-],
,,,CL:A:1105,invalid,,,,,[Cl-],
,,,CA:A:1103,Part of Protein,,,,,[Ca+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1101,invalid,,,,,[Mg+2],
,,,PEG:A:1106,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
1.8.5.-,,,,,,,,,
,Family. Representative Entry is ,6OIB,,,,,,,
,,,H2S:B:504,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:B:503,invalid,,,,,S,
,,,UQ1:B:501,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:A:504,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:A:503,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,FAD:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6OIC,,,,,,,
,,,UQ1:A:504,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:B:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:A:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:A:503,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,H2S:A:505,invalid,,,,,S,
,,,H2S:B:503,invalid,,,,,S,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3HYW,,,,,,,
,,,DCQ:A:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,DCQ:B:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,DCQ:C:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,DCQ:D:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,DCQ:E:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,DCQ:F:500,valid,,,,,CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C,
,,,FAD H2S:A:441,invalid,,,,,,
,,,FAD H2S:B:441,invalid,,,,,,
,,,FAD H2S:C:441,invalid,,,,,,
,,,FAD H2S:D:441,invalid,,,,,,
,,,FAD H2S:E:441,invalid,,,,,,
,,,FAD H2S:F:441,invalid,,,,,,
,,,LMT:A:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:D:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:E:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:F:600,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PS9:A:800,invalid,,,,,S1SSSSSSS1,
,,,PS9:B:800,invalid,,,,,S1SSSSSSS1,
,,,PS9:B:802,invalid,,,,,S1SSSSSSS1,
,,,PS9:C:800,invalid,,,,,S1SSSSSSS1,
,,,PS9:D:800,invalid,,,,,S1SSSSSSS1,
,,,PS9:D:802,invalid,,,,,S1SSSSSSS1,
,,,PS9:E:800,invalid,,,,,S1SSSSSSS1,
,,,PS9:F:800,invalid,,,,,S1SSSSSSS1,
,,,SO4:A:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:435,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:431,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:432,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:434,invalid,,,,,[O-]S(=O)(=O)[O-],
2.3.1.39,,,,,,,,,
,Family. Representative Entry is ,2G2Y,,,,,,,
,,,MLI:A:1001,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,4W9N,,,,,,,
,,,NA:D:1903,Part of Protein,,,,,[Na+],
,,,NA:D:1902,invalid,,,,,[Na+],
,,,NA:C:1902,Part of Protein,,,,,[Na+],
,,,NA:B:1904,invalid,,,,,[Na+],
,,,CL:A:1902,invalid,,,,,[Cl-],
,,,CL:B:1902,invalid,,,,,[Cl-],
,,,CL:A:1903,invalid,,,,,[Cl-],
,,,CL:C:1903,invalid,,,,,[Cl-],
,,,CL:B:1903,invalid,,,,,[Cl-],
,,,TCL:D:1904,valid,ic50,=,54.7,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,TCL:B:1905,valid,ic50,=,54.7,uM,c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl,
,,,IMD:A:1901,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:1901,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:1901,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:1901,invalid,,,,,c1c[nH+]c[nH]1,
3.5.1.46,,,,,,,,,
,Family. Representative Entry is ,2DCF,,,,,,,
,,,ACA ACA:A:501,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MES:A:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZM7,,,,,,,
,,,ACA ACA:A:501,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZMA,,,,,,,
,,,ACA ACA:A:501,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZM8,,,,,,,
,,,ACA ACA:A:511,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZM9,,,,,,,
,,,ACA ACA:A:501,valid,,,,,O=C1NCCCCCC(=O)NCCCCC1,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.289,,,,,,,,,
,Family. Representative Entry is ,3AI3,,,,,,,
,,,SOE:E:264,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:G:264,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:G:265,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOE:G:266,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,SOL:A:0,valid,,,,,C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,SOL:C:0,valid,,,,,C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,SOL:E:0,valid,,,,,C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,SOL:E:265,valid,,,,,C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,SOL:G:0,valid,,,,,C([C@@H]([C@H]([C@@H](C(=O)CO)O)O)O)O,
,,,NDP:A:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3AI2,,,,,,,
,,,NDP:A:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:G:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:H:270,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.1.1.117,,,,,,,,,
,Family. Representative Entry is ,4IJR,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.6.4.3,,,,,,,,,
,Family. Representative Entry is ,5LB7,,,,,,,
,,,LEU SER PRO ASP SER PHE LEU ASN ASP:C:0,valid,Kd,=,9,uM,O=C(NC(C=O)CC(C)C)C(NC(=O)C(N)CO)Cc1ccccc1,
,,5OW5,,,,,,,
,,,ILE GLU GLU ALA LEU GLN ILE ILE HIS SER:E:8,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc1nc[nH]c1)C(CC)C)C(CC)C)CCC(=O)N)CC(C)C)C)CCC(=O)[O-])CCC(=O)[O-])C([NH3+])C(CC)C,
,,,ILE GLU GLU ALA LEU GLN ILE ILE HIS SER:F:8,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc1nc[nH]c1)C(CC)C)C(CC)C)CCC(=O)N)CC(C)C)C)CCC(=O)[O-])CCC(=O)[O-])C([NH3+])C(CC)C,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,PEG:D:102,invalid,,,,,C(COCCO)O,
4.1.3.36,,,,,,,,,
,Family. Representative Entry is ,4QIJ,,,,,,,
,,,1HA:B:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:I:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:K:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:J:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:H:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:G:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:D:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:C:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:E:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:F:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:A:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:L:401,valid,Kd,=,2.9,uM,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,4QII,,,,,,,
,,,2NE:C:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:B:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:A:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:K:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:E:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:J:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:D:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:F:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:H:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:I:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:G:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:L:401,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,PGE:D:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:J:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:G:402,invalid,,,,,C(COCCOCCO)O,
,,1RJN,,,,,,,
,,,COA:B:1210,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EP1:B:1211,invalid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,3T8A,,,,,,,
,,,S0N:B:500,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:C:600,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,1Q51,,,,,,,
,,,CAA:A:501,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:502,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:503,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:504,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:E:505,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:F:506,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:G:507,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:H:508,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:I:509,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:J:510,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:K:500,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:L:511,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4I4Z,,,,,,,
,,,2NE:G:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:C:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:H:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:B:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:D:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:A:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:I:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:F:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,2NE:E:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O,
,,,BCT:F:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:I:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:G:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:H:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:302,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:302,invalid,,,,,C(=O)(O)[O-],
,,,MLI:I:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:303,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4I52,,,,,,,
,,,CL:H:302,invalid,,,,,[Cl-],
,,,CL:I:302,invalid,,,,,[Cl-],
,,,CL:E:302,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,1HA:G:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:C:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:B:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:D:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:F:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:A:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:I:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:H:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:E:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,Family. Representative Entry is ,4I42,,,,,,,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:H:305,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:G:306,invalid,,,,,C(CO)O,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:H:306,invalid,,,,,C(CO)O,
,,,EDO:G:305,invalid,,,,,C(CO)O,
,,,EDO:L:304,invalid,,,,,C(CO)O,
,,,EDO:G:304,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:E:307,invalid,,,,,C(CO)O,
,,,EDO:L:305,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:I:305,invalid,,,,,C(CO)O,
,,,EDO:L:307,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,CL:K:304,invalid,,,,,[Cl-],
,,,CL:E:310,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:L:309,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:F:307,invalid,,,,,[Cl-],
,,,CL:J:305,invalid,,,,,[Cl-],
,,,CL:H:309,invalid,,,,,[Cl-],
,,,CL:G:308,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,CL:K:305,invalid,,,,,[Cl-],
,,,CL:L:308,invalid,,,,,[Cl-],
,,,CL:C:309,invalid,,,,,[Cl-],
,,,CL:J:307,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:J:306,invalid,,,,,[Cl-],
,,,CL:I:308,invalid,,,,,[Cl-],
,,,CL:I:307,invalid,,,,,[Cl-],
,,,CL:F:306,invalid,,,,,[Cl-],
,,,PEG:H:304,invalid,,,,,C(COCCO)O,
,,,PEG:C:304,invalid,,,,,C(COCCO)O,
,,,PEG:L:303,invalid,,,,,C(COCCO)O,
,,,PEG:E:304,invalid,,,,,C(COCCO)O,
,,,PEG:I:304,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:F:303,invalid,,,,,C(COCCO)O,
,,,PEG:K:303,invalid,,,,,C(COCCO)O,
,,,PEG:F:304,invalid,,,,,C(COCCO)O,
,,,PEG:D:305,invalid,,,,,C(COCCO)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:304,invalid,,,,,C(C(CO)O)O,
,,,1HA:L:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:K:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:J:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:F:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:A:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:E:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:G:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:C:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:B:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:I:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,1HA:H:301,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O,
,,,BTB:C:310,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:I:309,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:F:308,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BCT:F:309,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:308,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:309,invalid,,,,,C(=O)(O)[O-],
,,,BCT:J:308,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:307,invalid,,,,,C(=O)(O)[O-],
,,,BCT:I:310,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:310,invalid,,,,,C(=O)(O)[O-],
,,3T88,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:C:501,invalid,,,,,[Cl-],
,,,CL:D:601,invalid,,,,,[Cl-],
,,,CL:E:701,invalid,,,,,[Cl-],
,,,CL:F:801,invalid,,,,,[Cl-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:803,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:402,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:502,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:702,invalid,,,,,C(COCCOCCO)O,
,,,PGE:F:802,invalid,,,,,C(COCCOCCO)O,
,,,S0N:A:300,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:B:400,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:C:500,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:D:600,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:E:700,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
,,,S0N:F:800,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O,
1.1.1.100,,,,,,,,,
,Family. Representative Entry is ,1Q7B,,,,,,,
,,,CA:A:9002,Part of Protein,,,,,[Ca+2],
,,,CA:A:9006,Part of Protein,,,,,[Ca+2],
,,,CA:A:9007,Part of Protein,,,,,[Ca+2],
,,,CA:B:9001,Part of Protein,,,,,[Ca+2],
,,,CA:B:9003,Part of Protein,,,,,[Ca+2],
,,,CA:B:9008,Part of Protein,,,,,[Ca+2],
,,,CA:C:9004,Part of Protein,,,,,[Ca+2],
,,,CA:D:9005,Part of Protein,,,,,[Ca+2],
,,,NAP:A:1901,valid,Kd,=,3.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2901,valid,Kd,=,3.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3901,valid,Kd,=,3.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4901,valid,Kd,=,3.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1Q7C,,,,,,,
,,,NDP:A:1901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4BNU,,,,,,,
,,,9KQ:D:1248,valid,ic50,=,0.02,uM,c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4,
,,,9KQ:B:1248,valid,ic50,=,0.02,uM,c1ccc(cc1)c2nc3ccccc3c(n2)n4cnnc4,
,,4BNT,,,,,,,
,,,36E:C:1248,valid,ic50,=,137.69,uM,c1ccc2c(c1)[nH]c(n2)C(F)(F)F,
,,,36E:B:1248,valid,ic50,=,137.69,uM,c1ccc2c(c1)[nH]c(n2)C(F)(F)F,
,,4BNY,,,,,,,
,,,36I:D:1248,valid,ic50,=,0.08,uM,c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4,
,,,36I:B:1248,valid,ic50,=,0.08,uM,c1ccc(cc1)c2nc3ccsc3c(n2)N4CCOCC4,
,,4BNV,,,,,,,
,,,Q7U:B:1247,valid,ic50,=,0.03,uM,Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl,
,,,Q7U:D:1247,valid,ic50,=,0.03,uM,Cn1c2ccccc2nc1NC(=O)Nc3ccccc3Cl,
,,4BO1,,,,,,,
,,,NKH:D:1248,valid,ic50,=,0.05,uM,COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3,
,,,NKH:B:1248,valid,ic50,=,0.05,uM,COc1cc(c(cc1Cl)OC)NC(=O)c2cccc3c2nccc3,
,,4BO0,,,,,,,
,,,NI:B:1248,Part of Protein,,,,,[Ni+2],
,,,FXE:A:1248,valid,ic50,=,0.2,uM,Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC,
,,,FXE:C:1248,valid,ic50,=,0.2,uM,Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC,
,,4AG3,,,,,,,
,,,NDP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,1PE:C:1249,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1251,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1249,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1250,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1250,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1250,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1248,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1249,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,4BO2,,,,,,,
,,,36K:C:1248,valid,ic50,=,0.05,uM,CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC,
,,,36K:A:1248,valid,ic50,=,0.05,uM,CCn1c2ccccc2nc1NC(=O)Nc3ccccc3OC,
,,4BNX,,,,,,,
,,,O74:A:1247,valid,ic50,=,0.02,uM,c1ccc2c(c1)C(=N/C(=C/3C=CC=CC3=O)/N2)Nc4ccccc4Cl,
,,,O74:C:1247,valid,ic50,=,0.02,uM,c1ccc2c(c1)C(=N/C(=C/3C=CC=CC3=O)/N2)Nc4ccccc4Cl,
,,4BO3,,,,,,,
,,,U98:A:1248,valid,ic50,=,0.3,uM,c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F,
,,,U98:C:1248,valid,ic50,=,0.3,uM,c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F,
,,,NI:B:1248,Part of Protein,,,,,[Ni+2],
,,4BNZ,,,,,,,
,,,8M5:A:1248,valid,ic50,=,0.26,uM,Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3,
,,,8M5:D:1248,valid,ic50,=,0.26,uM,Cn1cc(c2c1cccc2)C(=O)Nc3ccccc3,
,Family. Representative Entry is ,4NBT,,,,,,,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5XWV,,,,,,,
,,,8H6:A:502,valid,,,,,CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,8H6:B:502,valid,,,,,CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3MJT,,,,,,,
,,,GOL:A:477,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:477,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3MJE,,,,,,,
,,,GOL:B:477,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3MJV,,,,,,,
,,,NDP:A:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,5XWW,,,,,,,
,,,8H6:A:502,valid,,,,,CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,8H6:B:502,valid,,,,,CCC(=O)[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,NAP:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3MJS,,,,,,,
,,,GOL:A:479,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:479,invalid,,,,,C(C(CO)O)O,
,,,LMR:A:477,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,MLT:A:478,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:477,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:478,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,NDP:A:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5OVK,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6CI9,,,,,,,
,,,NAP:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:N:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:L:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:M:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:P:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:O:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,F3V:P:302,valid,,,,,CC(=O)CN,
,,,F3V:E:302,valid,,,,,CC(=O)CN,
,,,F3V:M:302,valid,,,,,CC(=O)CN,
,,,F3V:O:302,valid,,,,,CC(=O)CN,
,,,F3V:D:302,valid,,,,,CC(=O)CN,
,,,F3V:K:302,valid,,,,,CC(=O)CN,
,,,F3V:L:302,valid,,,,,CC(=O)CN,
,,,F3V:I:302,valid,,,,,CC(=O)CN,
,,,F3V:F:302,valid,,,,,CC(=O)CN,
,,,F3V:B:302,valid,,,,,CC(=O)CN,
,,,F3V:J:302,valid,,,,,CC(=O)CN,
,,,F3V:N:302,valid,,,,,CC(=O)CN,
,,,F3V:G:302,valid,,,,,CC(=O)CN,
,,,F3V:A:302,valid,,,,,CC(=O)CN,
,,,F3V:C:302,valid,,,,,CC(=O)CN,
,,,F3V:H:302,valid,,,,,CC(=O)CN,
,,,CL:P:303,invalid,,,,,[Cl-],
,,,CL:L:303,invalid,,,,,[Cl-],
,,,CL:I:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:N:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:J:303,invalid,,,,,[Cl-],
,,,CL:M:303,invalid,,,,,[Cl-],
,,,CL:K:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:G:303,invalid,,,,,[Cl-],
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:O:303,invalid,,,,,[Cl-],
,,,MG:C:301,invalid,,,,,[Mg+2],
,,,MG:M:304,invalid,,,,,[Mg+2],
,,,MG:F:304,invalid,,,,,[Mg+2],
,,,MG:L:304,invalid,,,,,[Mg+2],
,,,MG:O:304,invalid,,,,,[Mg+2],
,,,MG:J:304,invalid,,,,,[Mg+2],
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MG:H:304,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1O5I,,,,,,,
,,,NAD:B:256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3SJ7,,,,,,,
,,,NDP:A:245,valid,Kd,=,53.93,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:245,valid,Kd,=,53.93,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PG4:A:246,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:247,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:246,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2B4Q,,,,,,,
,,,NAP:A:1901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5OVL,,,,,,,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2FR1,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2FR0,,,,,,,
,,,NDP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,3RKR,,,,,,,
,,,NAP:A:240,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:240,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:240,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:243,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3V1U,,,,,,,
,,,HXC:A:502,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZPG:A:503,invalid,,,,,C[C@H](COC[C@H](C)OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O)O,
,Family. Representative Entry is ,1UZN,,,,,,,
,,,CS:A:1248,invalid,,,,,[Cs+],
,,,CS:A:1250,invalid,,,,,[Cs+],
,,,CS:B:1248,invalid,,,,,[Cs+],
,,,CS:B:1250,invalid,,,,,[Cs+],
,,,NAP:A:1249,valid,Kd,=,11.2,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4J1Q,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
1.1.1.159,,,,,,,,,
,Family. Representative Entry is ,1FMC,,,,,,,
,,,CHO:A:301,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:B:301,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NAI:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1AHI,,,,,,,
,,,CHO:A:301,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:B:301,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NAI:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1AHH,,,,,,,
,,,NAD:A:256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:256,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
6.3.5.5,,,,,,,,,
,Family. Representative Entry is ,4C6F,,,,,,,
,,,NCD:A:1411,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:2826,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2827,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2829,Part of Protein,,,,,[Zn+2],
,,,FMT:A:2830,invalid,,,,,C(=O)O,
,,,FMT:A:2832,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,FMT:A:2831,invalid,,,,,C(=O)O,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,6HFJ,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1908,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,4C6E,,,,,,,
,,,NCD:A:1411,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:2826,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2827,Part of Protein,,,,,[Zn+2],
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,FMT:A:2830,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,FMT:A:2831,invalid,,,,,C(=O)O,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,6HFS,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1908,invalid,,,,,C(=O)O,
,,,NCD:A:1905,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,4C6M,,,,,,,
,,,FMT:A:2826,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,ZN:A:2823,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,FOT:A:2827,valid,,,,,C1(=C(NC(=O)NC1=O)C(=O)O)F,
,,6HG3,,,,,,,
,,,DOR:A:1906,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,FMT:A:1901,invalid,,,,,C(=O)O,
,,,FMT:A:1902,invalid,,,,,C(=O)O,
,,6HFL,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1908,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1904,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,6HFU,,,,,,,
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,NCD:A:1904,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HG2,,,,,,,
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,FMT:A:1904,invalid,,,,,C(=O)O,
,,,FOT:A:1903,valid,,,,,C1(=C(NC(=O)NC1=O)C(=O)O)F,
,,4C6J,,,,,,,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2823,Part of Protein,,,,,[Zn+2],
,,,FMT:A:2830,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,DOR:A:2826,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:A:2827,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HFN,,,,,,,
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1904,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,DOR:A:1907,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,4C6D,,,,,,,
,,,FMT:A:2827,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,FMT:A:2830,invalid,,,,,C(=O)O,
,,,FMT:A:2831,invalid,,,,,C(=O)O,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2826,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2828,Part of Protein,,,,,[Zn+2],
,,,NCD:A:2823,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,DOR:A:2822,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,4C6N,,,,,,,
,,,FMT:A:2826,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,NCD:A:2827,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,4C6I,,,,,,,
,,,FMT:A:2827,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2823,Part of Protein,,,,,[Zn+2],
,,,DOR:A:2830,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:A:2831,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HFR,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1908,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,NCD:A:1904,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HFH,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1908,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,4C6Q,,,,,,,
,,,FMT:A:2827,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,FMT:A:2830,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,ORO:A:2823,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,NCD:A:2826,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HFQ,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1908,invalid,,,,,C(=O)O,
,,,FMT:A:1909,invalid,,,,,C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1905,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,GOL:A:1910,invalid,,,,,C(C(CO)O)O,
,,4C6K,,,,,,,
,,,FMT:A:2827,invalid,,,,,C(=O)O,
,,,FMT:A:2829,invalid,,,,,C(=O)O,
,,,FMT:A:2828,invalid,,,,,C(=O)O,
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2825,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2823,Part of Protein,,,,,[Zn+2],
,,,DOR:A:2830,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:A:2826,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,6HFP,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1907,invalid,,,,,C(=O)O,
,,,FMT:A:1908,invalid,,,,,C(=O)O,
,,,FMT:A:1909,invalid,,,,,C(=O)O,
,,,ZN:A:1904,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1905,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,6HFK,,,,,,,
,,,FMT:A:1906,invalid,,,,,C(=O)O,
,,,FMT:A:1904,invalid,,,,,C(=O)O,
,,,FMT:A:1905,invalid,,,,,C(=O)O,
,,,ZN:A:1903,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1908,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1902,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1901,Part of Protein,,,,,[Zn+2],
,,,DOR:A:1907,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,4C6L,,,,,,,
,,,FMT:A:2827,invalid,,,,,C(=O)O,
,,,FMT:A:2825,invalid,,,,,C(=O)O,
,,,ZN:A:2823,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2824,Part of Protein,,,,,[Zn+2],
,,,FOT:A:2826,valid,,,,,C1(=C(NC(=O)NC1=O)C(=O)O)F,
,Family. Representative Entry is ,1T36,,,,,,,
,,,ADP:A:1087,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1088,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1089,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1090,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1089,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1090,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1089,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1090,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1081,invalid,,,,,[Cl-],
,,,CL:A:1083,invalid,,,,,[Cl-],
,,,CL:A:1084,invalid,,,,,[Cl-],
,,,CL:A:1085,invalid,,,,,[Cl-],
,,,CL:A:1086,invalid,,,,,[Cl-],
,,,CL:C:1081,invalid,,,,,[Cl-],
,,,CL:C:1083,invalid,,,,,[Cl-],
,,,CL:C:1084,invalid,,,,,[Cl-],
,,,CL:C:1085,invalid,,,,,[Cl-],
,,,CL:C:1086,invalid,,,,,[Cl-],
,,,CL:C:1087,invalid,,,,,[Cl-],
,,,CL:D:384,invalid,,,,,[Cl-],
,,,CL:E:1082,invalid,,,,,[Cl-],
,,,CL:E:1084,invalid,,,,,[Cl-],
,,,CL:E:1085,invalid,,,,,[Cl-],
,,,CL:E:1086,invalid,,,,,[Cl-],
,,,CL:E:1087,invalid,,,,,[Cl-],
,,,CL:E:1088,invalid,,,,,[Cl-],
,,,CL:F:384,invalid,,,,,[Cl-],
,,,CL:G:1082,invalid,,,,,[Cl-],
,,,CL:G:1084,invalid,,,,,[Cl-],
,,,CL:G:1085,invalid,,,,,[Cl-],
,,,CL:G:1086,invalid,,,,,[Cl-],
,,,CL:G:1087,invalid,,,,,[Cl-],
,,,CL:G:1088,invalid,,,,,[Cl-],
,,,CL:H:384,invalid,,,,,[Cl-],
,,,CL:H:385,invalid,,,,,[Cl-],
,,,K:A:1076,Part of Protein,,,,,[K+],
,,,K:A:1077,Part of Protein,,,,,[K+],
,,,K:A:1080,Part of Protein,,,,,[K+],
,,,K:A:1082,Part of Protein,,,,,[K+],
,,,K:B:383,Part of Protein,,,,,[K+],
,,,K:C:1076,Part of Protein,,,,,[K+],
,,,K:C:1077,Part of Protein,,,,,[K+],
,,,K:C:1080,Part of Protein,,,,,[K+],
,,,K:C:1082,Part of Protein,,,,,[K+],
,,,K:D:383,Part of Protein,,,,,[K+],
,,,K:E:1076,Part of Protein,,,,,[K+],
,,,K:E:1077,Part of Protein,,,,,[K+],
,,,K:E:1080,Part of Protein,,,,,[K+],
,,,K:E:1081,Part of Protein,,,,,[K+],
,,,K:E:1083,Part of Protein,,,,,[K+],
,,,K:F:383,Part of Protein,,,,,[K+],
,,,K:G:1076,Part of Protein,,,,,[K+],
,,,K:G:1077,Part of Protein,,,,,[K+],
,,,K:G:1080,Part of Protein,,,,,[K+],
,,,K:G:1081,Part of Protein,,,,,[K+],
,,,K:G:1083,Part of Protein,,,,,[K+],
,,,K:H:383,Part of Protein,,,,,[K+],
,,,MN:A:1074,Part of Protein,,,,,[Mn+2],
,,,MN:A:1075,Part of Protein,,,,,[Mn+2],
,,,MN:A:1079,Part of Protein,,,,,[Mn+2],
,,,MN:C:1074,Part of Protein,,,,,[Mn+2],
,,,MN:C:1075,Part of Protein,,,,,[Mn+2],
,,,MN:C:1079,Part of Protein,,,,,[Mn+2],
,,,MN:E:1074,Part of Protein,,,,,[Mn+2],
,,,MN:E:1075,Part of Protein,,,,,[Mn+2],
,,,MN:E:1079,Part of Protein,,,,,[Mn+2],
,,,MN:G:1074,Part of Protein,,,,,[Mn+2],
,,,MN:G:1075,Part of Protein,,,,,[Mn+2],
,,,MN:G:1079,Part of Protein,,,,,[Mn+2],
,,,NET:A:1090,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:1092,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:1092,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:1092,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:1089,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:1091,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:1091,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:1091,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1088,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U:A:1091,valid,Kd,=,9,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:C:1093,valid,Kd,=,9,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:E:1093,valid,Kd,=,9,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U:G:1093,valid,Kd,=,9,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,1CS0,,,,,,,
,,,ADP:A:5000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:5006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:5023,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:5029,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5046,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5052,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:5071,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:5077,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:5011,invalid,,,,,[Cl-],
,,,CL:A:5012,invalid,,,,,[Cl-],
,,,CL:A:5013,invalid,,,,,[Cl-],
,,,CL:A:5014,invalid,,,,,[Cl-],
,,,CL:A:5015,invalid,,,,,[Cl-],
,,,CL:A:5018,invalid,,,,,[Cl-],
,,,CL:B:5016,invalid,,,,,[Cl-],
,,,CL:B:5017,invalid,,,,,[Cl-],
,,,CL:C:5035,invalid,,,,,[Cl-],
,,,CL:C:5036,invalid,,,,,[Cl-],
,,,CL:C:5037,invalid,,,,,[Cl-],
,,,CL:C:5038,invalid,,,,,[Cl-],
,,,CL:C:5039,invalid,,,,,[Cl-],
,,,CL:D:5040,invalid,,,,,[Cl-],
,,,CL:D:5041,invalid,,,,,[Cl-],
,,,CL:E:5058,invalid,,,,,[Cl-],
,,,CL:E:5059,invalid,,,,,[Cl-],
,,,CL:E:5060,invalid,,,,,[Cl-],
,,,CL:E:5061,invalid,,,,,[Cl-],
,,,CL:E:5062,invalid,,,,,[Cl-],
,,,CL:F:5063,invalid,,,,,[Cl-],
,,,CL:F:5064,invalid,,,,,[Cl-],
,,,CL:G:5083,invalid,,,,,[Cl-],
,,,CL:G:5084,invalid,,,,,[Cl-],
,,,CL:G:5085,invalid,,,,,[Cl-],
,,,CL:G:5086,invalid,,,,,[Cl-],
,,,CL:G:5087,invalid,,,,,[Cl-],
,,,CL:H:5088,invalid,,,,,[Cl-],
,,,CL:H:5089,invalid,,,,,[Cl-],
,,,K:A:5003,Part of Protein,,,,,[K+],
,,,K:A:5004,Part of Protein,,,,,[K+],
,,,K:A:5008,Part of Protein,,,,,[K+],
,,,K:A:5009,Part of Protein,,,,,[K+],
,,,K:A:5019,Part of Protein,,,,,[K+],
,,,K:A:5021,Part of Protein,,,,,[K+],
,,,K:A:5022,Part of Protein,,,,,[K+],
,,,K:B:5020,Part of Protein,,,,,[K+],
,,,K:C:5026,Part of Protein,,,,,[K+],
,,,K:C:5027,Part of Protein,,,,,[K+],
,,,K:C:5031,Part of Protein,,,,,[K+],
,,,K:C:5032,Part of Protein,,,,,[K+],
,,,K:C:5042,Part of Protein,,,,,[K+],
,,,K:C:5044,Part of Protein,,,,,[K+],
,,,K:C:5045,Part of Protein,,,,,[K+],
,,,K:D:5043,Part of Protein,,,,,[K+],
,,,K:E:5049,Part of Protein,,,,,[K+],
,,,K:E:5050,Part of Protein,,,,,[K+],
,,,K:E:5054,Part of Protein,,,,,[K+],
,,,K:E:5055,Part of Protein,,,,,[K+],
,,,K:E:5065,Part of Protein,,,,,[K+],
,,,K:E:5067,Part of Protein,,,,,[K+],
,,,K:E:5068,Part of Protein,,,,,[K+],
,,,K:E:5069,Part of Protein,,,,,[K+],
,,,K:F:5066,Part of Protein,,,,,[K+],
,,,K:G:5074,Part of Protein,,,,,[K+],
,,,K:G:5075,Part of Protein,,,,,[K+],
,,,K:G:5079,Part of Protein,,,,,[K+],
,,,K:G:5080,Part of Protein,,,,,[K+],
,,,K:G:5090,Part of Protein,,,,,[K+],
,,,K:G:5092,Part of Protein,,,,,[K+],
,,,K:G:5093,Part of Protein,,,,,[K+],
,,,K:H:5091,Part of Protein,,,,,[K+],
,,,MN:A:5001,Part of Protein,,,,,[Mn+2],
,,,MN:A:5002,Part of Protein,,,,,[Mn+2],
,,,MN:A:5007,Part of Protein,,,,,[Mn+2],
,,,MN:C:5024,Part of Protein,,,,,[Mn+2],
,,,MN:C:5025,Part of Protein,,,,,[Mn+2],
,,,MN:C:5030,Part of Protein,,,,,[Mn+2],
,,,MN:E:5047,Part of Protein,,,,,[Mn+2],
,,,MN:E:5048,Part of Protein,,,,,[Mn+2],
,,,MN:E:5053,Part of Protein,,,,,[Mn+2],
,,,MN:G:5072,Part of Protein,,,,,[Mn+2],
,,,MN:G:5073,Part of Protein,,,,,[Mn+2],
,,,MN:G:5078,Part of Protein,,,,,[Mn+2],
,,,NET:A:5094,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:5034,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:5057,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:5082,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:5010,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:5033,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:5056,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:5081,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:5005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5028,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5051,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5070,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:5076,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1C30,,,,,,,
,,,ADP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:4006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4020,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4026,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4041,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4047,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4062,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4068,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:4012,invalid,,,,,[Cl-],
,,,CL:A:4013,invalid,,,,,[Cl-],
,,,CL:A:4014,invalid,,,,,[Cl-],
,,,CL:B:4015,invalid,,,,,[Cl-],
,,,CL:C:4032,invalid,,,,,[Cl-],
,,,CL:C:4033,invalid,,,,,[Cl-],
,,,CL:C:4034,invalid,,,,,[Cl-],
,,,CL:D:4035,invalid,,,,,[Cl-],
,,,CL:E:4053,invalid,,,,,[Cl-],
,,,CL:E:4054,invalid,,,,,[Cl-],
,,,CL:E:4055,invalid,,,,,[Cl-],
,,,CL:F:4056,invalid,,,,,[Cl-],
,,,CL:G:4074,invalid,,,,,[Cl-],
,,,CL:G:4075,invalid,,,,,[Cl-],
,,,CL:G:4076,invalid,,,,,[Cl-],
,,,CL:H:4077,invalid,,,,,[Cl-],
,,,K:A:4003,Part of Protein,,,,,[K+],
,,,K:A:4004,Part of Protein,,,,,[K+],
,,,K:A:4008,Part of Protein,,,,,[K+],
,,,K:A:4009,Part of Protein,,,,,[K+],
,,,K:A:4017,Part of Protein,,,,,[K+],
,,,K:A:4018,Part of Protein,,,,,[K+],
,,,K:A:4019,Part of Protein,,,,,[K+],
,,,K:B:4016,Part of Protein,,,,,[K+],
,,,K:C:4023,Part of Protein,,,,,[K+],
,,,K:C:4024,Part of Protein,,,,,[K+],
,,,K:C:4028,Part of Protein,,,,,[K+],
,,,K:C:4029,Part of Protein,,,,,[K+],
,,,K:C:4037,Part of Protein,,,,,[K+],
,,,K:C:4038,Part of Protein,,,,,[K+],
,,,K:C:4039,Part of Protein,,,,,[K+],
,,,K:D:4036,Part of Protein,,,,,[K+],
,,,K:E:4044,Part of Protein,,,,,[K+],
,,,K:E:4045,Part of Protein,,,,,[K+],
,,,K:E:4049,Part of Protein,,,,,[K+],
,,,K:E:4050,Part of Protein,,,,,[K+],
,,,K:E:4058,Part of Protein,,,,,[K+],
,,,K:E:4059,Part of Protein,,,,,[K+],
,,,K:E:4060,Part of Protein,,,,,[K+],
,,,K:F:4057,Part of Protein,,,,,[K+],
,,,K:G:4065,Part of Protein,,,,,[K+],
,,,K:G:4066,Part of Protein,,,,,[K+],
,,,K:G:4070,Part of Protein,,,,,[K+],
,,,K:G:4071,Part of Protein,,,,,[K+],
,,,K:G:4079,Part of Protein,,,,,[K+],
,,,K:G:4080,Part of Protein,,,,,[K+],
,,,K:G:4081,Part of Protein,,,,,[K+],
,,,K:H:4078,Part of Protein,,,,,[K+],
,,,MN:A:4001,Part of Protein,,,,,[Mn+2],
,,,MN:A:4002,Part of Protein,,,,,[Mn+2],
,,,MN:A:4007,Part of Protein,,,,,[Mn+2],
,,,MN:C:4021,Part of Protein,,,,,[Mn+2],
,,,MN:C:4022,Part of Protein,,,,,[Mn+2],
,,,MN:C:4027,Part of Protein,,,,,[Mn+2],
,,,MN:E:4042,Part of Protein,,,,,[Mn+2],
,,,MN:E:4043,Part of Protein,,,,,[Mn+2],
,,,MN:E:4048,Part of Protein,,,,,[Mn+2],
,,,MN:G:4063,Part of Protein,,,,,[Mn+2],
,,,MN:G:4064,Part of Protein,,,,,[Mn+2],
,,,MN:G:4069,Part of Protein,,,,,[Mn+2],
,,,NET:A:4011,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:4031,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:4052,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:4073,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:4010,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:4030,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:4051,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:4072,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:4005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4025,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4040,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4046,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4061,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:4067,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1C3O,,,,,,,
,,,ADP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:4007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4023,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4029,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4045,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4051,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4068,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4074,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:4015,invalid,,,,,[Cl-],
,,,CL:A:4016,invalid,,,,,[Cl-],
,,,CL:A:4017,invalid,,,,,[Cl-],
,,,CL:B:4018,invalid,,,,,[Cl-],
,,,CL:C:4037,invalid,,,,,[Cl-],
,,,CL:C:4038,invalid,,,,,[Cl-],
,,,CL:C:4039,invalid,,,,,[Cl-],
,,,CL:D:4040,invalid,,,,,[Cl-],
,,,CL:E:4059,invalid,,,,,[Cl-],
,,,CL:E:4060,invalid,,,,,[Cl-],
,,,CL:E:4061,invalid,,,,,[Cl-],
,,,CL:F:4062,invalid,,,,,[Cl-],
,,,CL:G:4082,invalid,,,,,[Cl-],
,,,CL:G:4083,invalid,,,,,[Cl-],
,,,CL:G:4084,invalid,,,,,[Cl-],
,,,CL:H:4085,invalid,,,,,[Cl-],
,,,GLN:A:4013,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:B:4012,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:C:4035,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:D:4034,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:E:4057,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:F:4056,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:G:4080,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:H:4079,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,K:A:4003,Part of Protein,,,,,[K+],
,,,K:A:4004,Part of Protein,,,,,[K+],
,,,K:A:4009,Part of Protein,,,,,[K+],
,,,K:A:4010,Part of Protein,,,,,[K+],
,,,K:A:4020,Part of Protein,,,,,[K+],
,,,K:A:4021,Part of Protein,,,,,[K+],
,,,K:A:4022,Part of Protein,,,,,[K+],
,,,K:B:4019,Part of Protein,,,,,[K+],
,,,K:C:4026,Part of Protein,,,,,[K+],
,,,K:C:4027,Part of Protein,,,,,[K+],
,,,K:C:4031,Part of Protein,,,,,[K+],
,,,K:C:4032,Part of Protein,,,,,[K+],
,,,K:C:4042,Part of Protein,,,,,[K+],
,,,K:C:4043,Part of Protein,,,,,[K+],
,,,K:C:4044,Part of Protein,,,,,[K+],
,,,K:D:4041,Part of Protein,,,,,[K+],
,,,K:E:4048,Part of Protein,,,,,[K+],
,,,K:E:4049,Part of Protein,,,,,[K+],
,,,K:E:4053,Part of Protein,,,,,[K+],
,,,K:E:4054,Part of Protein,,,,,[K+],
,,,K:E:4064,Part of Protein,,,,,[K+],
,,,K:E:4065,Part of Protein,,,,,[K+],
,,,K:E:4066,Part of Protein,,,,,[K+],
,,,K:F:4063,Part of Protein,,,,,[K+],
,,,K:G:4071,Part of Protein,,,,,[K+],
,,,K:G:4072,Part of Protein,,,,,[K+],
,,,K:G:4076,Part of Protein,,,,,[K+],
,,,K:G:4077,Part of Protein,,,,,[K+],
,,,K:G:4087,Part of Protein,,,,,[K+],
,,,K:G:4088,Part of Protein,,,,,[K+],
,,,K:G:4089,Part of Protein,,,,,[K+],
,,,K:H:4086,Part of Protein,,,,,[K+],
,,,MN:A:4001,Part of Protein,,,,,[Mn+2],
,,,MN:A:4002,Part of Protein,,,,,[Mn+2],
,,,MN:A:4008,Part of Protein,,,,,[Mn+2],
,,,MN:C:4024,Part of Protein,,,,,[Mn+2],
,,,MN:C:4025,Part of Protein,,,,,[Mn+2],
,,,MN:C:4030,Part of Protein,,,,,[Mn+2],
,,,MN:E:4046,Part of Protein,,,,,[Mn+2],
,,,MN:E:4047,Part of Protein,,,,,[Mn+2],
,,,MN:E:4052,Part of Protein,,,,,[Mn+2],
,,,MN:G:4069,Part of Protein,,,,,[Mn+2],
,,,MN:G:4070,Part of Protein,,,,,[Mn+2],
,,,MN:G:4075,Part of Protein,,,,,[Mn+2],
,,,NET:A:4014,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:4036,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:4058,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:4081,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:4011,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:4033,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:4055,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:4078,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:4006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4028,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4050,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4067,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:4073,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1M6V,,,,,,,
,,,ADP:A:4001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:4007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4021,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:4027,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4044,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:4050,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4066,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:4072,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:4015,invalid,,,,,[Cl-],
,,,CL:A:4016,invalid,,,,,[Cl-],
,,,CL:A:4017,invalid,,,,,[Cl-],
,,,CL:A:4018,invalid,,,,,[Cl-],
,,,CL:A:4020,invalid,,,,,[Cl-],
,,,CL:B:4019,invalid,,,,,[Cl-],
,,,CL:C:4036,invalid,,,,,[Cl-],
,,,CL:C:4037,invalid,,,,,[Cl-],
,,,CL:C:4038,invalid,,,,,[Cl-],
,,,CL:C:4039,invalid,,,,,[Cl-],
,,,CL:C:4040,invalid,,,,,[Cl-],
,,,CL:C:4041,invalid,,,,,[Cl-],
,,,CL:C:4042,invalid,,,,,[Cl-],
,,,CL:D:4043,invalid,,,,,[Cl-],
,,,CL:E:4059,invalid,,,,,[Cl-],
,,,CL:E:4060,invalid,,,,,[Cl-],
,,,CL:E:4061,invalid,,,,,[Cl-],
,,,CL:E:4062,invalid,,,,,[Cl-],
,,,CL:E:4063,invalid,,,,,[Cl-],
,,,CL:E:4065,invalid,,,,,[Cl-],
,,,CL:F:4064,invalid,,,,,[Cl-],
,,,CL:G:4080,invalid,,,,,[Cl-],
,,,CL:G:4081,invalid,,,,,[Cl-],
,,,CL:G:4082,invalid,,,,,[Cl-],
,,,CL:G:4083,invalid,,,,,[Cl-],
,,,CL:G:4084,invalid,,,,,[Cl-],
,,,CL:G:4086,invalid,,,,,[Cl-],
,,,CL:H:4085,invalid,,,,,[Cl-],
,,,K:A:4004,Part of Protein,,,,,[K+],
,,,K:A:4005,Part of Protein,,,,,[K+],
,,,K:A:4009,Part of Protein,,,,,[K+],
,,,K:A:4010,Part of Protein,,,,,[K+],
,,,K:A:4013,Part of Protein,,,,,[K+],
,,,K:B:4014,Part of Protein,,,,,[K+],
,,,K:C:4024,Part of Protein,,,,,[K+],
,,,K:C:4025,Part of Protein,,,,,[K+],
,,,K:C:4029,Part of Protein,,,,,[K+],
,,,K:C:4030,Part of Protein,,,,,[K+],
,,,K:C:4033,Part of Protein,,,,,[K+],
,,,K:C:4034,Part of Protein,,,,,[K+],
,,,K:D:4035,Part of Protein,,,,,[K+],
,,,K:E:4047,Part of Protein,,,,,[K+],
,,,K:E:4048,Part of Protein,,,,,[K+],
,,,K:E:4052,Part of Protein,,,,,[K+],
,,,K:E:4053,Part of Protein,,,,,[K+],
,,,K:E:4056,Part of Protein,,,,,[K+],
,,,K:E:4057,Part of Protein,,,,,[K+],
,,,K:F:4058,Part of Protein,,,,,[K+],
,,,K:G:4069,Part of Protein,,,,,[K+],
,,,K:G:4070,Part of Protein,,,,,[K+],
,,,K:G:4074,Part of Protein,,,,,[K+],
,,,K:G:4075,Part of Protein,,,,,[K+],
,,,K:G:4078,Part of Protein,,,,,[K+],
,,,K:G:4079,Part of Protein,,,,,[K+],
,,,MN:A:4002,Part of Protein,,,,,[Mn+2],
,,,MN:A:4003,Part of Protein,,,,,[Mn+2],
,,,MN:A:4008,Part of Protein,,,,,[Mn+2],
,,,MN:C:4022,Part of Protein,,,,,[Mn+2],
,,,MN:C:4023,Part of Protein,,,,,[Mn+2],
,,,MN:C:4028,Part of Protein,,,,,[Mn+2],
,,,MN:E:4045,Part of Protein,,,,,[Mn+2],
,,,MN:E:4046,Part of Protein,,,,,[Mn+2],
,,,MN:E:4051,Part of Protein,,,,,[Mn+2],
,,,MN:G:4067,Part of Protein,,,,,[Mn+2],
,,,MN:G:4068,Part of Protein,,,,,[Mn+2],
,,,MN:G:4073,Part of Protein,,,,,[Mn+2],
,,,NET:A:4012,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:4032,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:4055,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:4077,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:4011,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:4031,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:4054,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:4076,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:4006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:4026,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:4049,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:4071,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1BXR,,,,,,,
,,,ANP:A:1083,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1084,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:2900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:2910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:G:3900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:G:3910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:1080,invalid,,,,,[Cl-],
,,,CL:A:1081,invalid,,,,,[Cl-],
,,,CL:A:1082,invalid,,,,,[Cl-],
,,,CL:B:982,invalid,,,,,[Cl-],
,,,CL:C:1980,invalid,,,,,[Cl-],
,,,CL:C:1981,invalid,,,,,[Cl-],
,,,CL:C:1983,invalid,,,,,[Cl-],
,,,CL:D:1982,invalid,,,,,[Cl-],
,,,CL:E:2980,invalid,,,,,[Cl-],
,,,CL:E:2981,invalid,,,,,[Cl-],
,,,CL:G:3980,invalid,,,,,[Cl-],
,,,CL:G:3981,invalid,,,,,[Cl-],
,,,CL:G:3982,invalid,,,,,[Cl-],
,,,CL:G:3983,invalid,,,,,[Cl-],
,,,K:A:1075,Part of Protein,,,,,[K+],
,,,K:A:1076,Part of Protein,,,,,[K+],
,,,K:A:1079,Part of Protein,,,,,[K+],
,,,K:B:984,Part of Protein,,,,,[K+],
,,,K:C:1903,Part of Protein,,,,,[K+],
,,,K:C:1904,Part of Protein,,,,,[K+],
,,,K:C:1913,Part of Protein,,,,,[K+],
,,,K:C:3985,Part of Protein,,,,,[K+],
,,,K:D:3984,Part of Protein,,,,,[K+],
,,,K:E:2903,Part of Protein,,,,,[K+],
,,,K:E:2904,Part of Protein,,,,,[K+],
,,,K:E:2913,Part of Protein,,,,,[K+],
,,,K:E:2982,Part of Protein,,,,,[K+],
,,,K:E:2983,Part of Protein,,,,,[K+],
,,,K:G:3903,Part of Protein,,,,,[K+],
,,,K:G:3904,Part of Protein,,,,,[K+],
,,,K:G:3913,Part of Protein,,,,,[K+],
,,,K:G:3988,Part of Protein,,,,,[K+],
,,,K:H:3987,Part of Protein,,,,,[K+],
,,,MN:A:1074,Part of Protein,,,,,[Mn+2],
,,,MN:A:1077,Part of Protein,,,,,[Mn+2],
,,,MN:A:1078,Part of Protein,,,,,[Mn+2],
,,,MN:C:1901,Part of Protein,,,,,[Mn+2],
,,,MN:C:1911,Part of Protein,,,,,[Mn+2],
,,,MN:C:1912,Part of Protein,,,,,[Mn+2],
,,,MN:C:3986,Part of Protein,,,,,[Mn+2],
,,,MN:E:2901,Part of Protein,,,,,[Mn+2],
,,,MN:E:2911,Part of Protein,,,,,[Mn+2],
,,,MN:E:2912,Part of Protein,,,,,[Mn+2],
,,,MN:G:3901,Part of Protein,,,,,[Mn+2],
,,,MN:G:3911,Part of Protein,,,,,[Mn+2],
,,,MN:G:3912,Part of Protein,,,,,[Mn+2],
,,,NET:A:1086,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:1950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:2950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:3950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:1085,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:1920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:2920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:3920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,1KEE,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:2007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:2023,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:2029,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:2045,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:2051,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:2066,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:2072,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:5017,invalid,,,,,[Cl-],
,,,CL:A:5018,invalid,,,,,[Cl-],
,,,CL:A:5019,invalid,,,,,[Cl-],
,,,CL:A:5020,invalid,,,,,[Cl-],
,,,CL:A:5022,invalid,,,,,[Cl-],
,,,CL:B:5021,invalid,,,,,[Cl-],
,,,CL:C:5039,invalid,,,,,[Cl-],
,,,CL:C:5040,invalid,,,,,[Cl-],
,,,CL:C:5041,invalid,,,,,[Cl-],
,,,CL:C:5042,invalid,,,,,[Cl-],
,,,CL:C:5044,invalid,,,,,[Cl-],
,,,CL:D:5043,invalid,,,,,[Cl-],
,,,CL:E:5061,invalid,,,,,[Cl-],
,,,CL:E:5062,invalid,,,,,[Cl-],
,,,CL:E:5063,invalid,,,,,[Cl-],
,,,CL:E:5064,invalid,,,,,[Cl-],
,,,CL:F:5065,invalid,,,,,[Cl-],
,,,CL:G:5082,invalid,,,,,[Cl-],
,,,CL:G:5083,invalid,,,,,[Cl-],
,,,CL:G:5084,invalid,,,,,[Cl-],
,,,CL:G:5085,invalid,,,,,[Cl-],
,,,CL:H:5086,invalid,,,,,[Cl-],
,,,K:A:5004,Part of Protein,,,,,[K+],
,,,K:A:5005,Part of Protein,,,,,[K+],
,,,K:A:5009,Part of Protein,,,,,[K+],
,,,K:A:5010,Part of Protein,,,,,[K+],
,,,K:A:5013,Part of Protein,,,,,[K+],
,,,K:A:5014,Part of Protein,,,,,[K+],
,,,K:A:5015,Part of Protein,,,,,[K+],
,,,K:B:5016,Part of Protein,,,,,[K+],
,,,K:C:5026,Part of Protein,,,,,[K+],
,,,K:C:5027,Part of Protein,,,,,[K+],
,,,K:C:5031,Part of Protein,,,,,[K+],
,,,K:C:5032,Part of Protein,,,,,[K+],
,,,K:C:5035,Part of Protein,,,,,[K+],
,,,K:C:5036,Part of Protein,,,,,[K+],
,,,K:C:5037,Part of Protein,,,,,[K+],
,,,K:D:5038,Part of Protein,,,,,[K+],
,,,K:E:2048,Part of Protein,,,,,[K+],
,,,K:E:5049,Part of Protein,,,,,[K+],
,,,K:E:5053,Part of Protein,,,,,[K+],
,,,K:E:5054,Part of Protein,,,,,[K+],
,,,K:E:5057,Part of Protein,,,,,[K+],
,,,K:E:5058,Part of Protein,,,,,[K+],
,,,K:E:5059,Part of Protein,,,,,[K+],
,,,K:F:5060,Part of Protein,,,,,[K+],
,,,K:G:2069,Part of Protein,,,,,[K+],
,,,K:G:5070,Part of Protein,,,,,[K+],
,,,K:G:5074,Part of Protein,,,,,[K+],
,,,K:G:5075,Part of Protein,,,,,[K+],
,,,K:G:5078,Part of Protein,,,,,[K+],
,,,K:G:5079,Part of Protein,,,,,[K+],
,,,K:G:5080,Part of Protein,,,,,[K+],
,,,K:H:5081,Part of Protein,,,,,[K+],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:A:2003,Part of Protein,,,,,[Mn+2],
,,,MN:A:5008,Part of Protein,,,,,[Mn+2],
,,,MN:C:2024,Part of Protein,,,,,[Mn+2],
,,,MN:C:2025,Part of Protein,,,,,[Mn+2],
,,,MN:C:2030,Part of Protein,,,,,[Mn+2],
,,,MN:E:2046,Part of Protein,,,,,[Mn+2],
,,,MN:E:2047,Part of Protein,,,,,[Mn+2],
,,,MN:E:2052,Part of Protein,,,,,[Mn+2],
,,,MN:G:2067,Part of Protein,,,,,[Mn+2],
,,,MN:G:2068,Part of Protein,,,,,[Mn+2],
,,,MN:G:2073,Part of Protein,,,,,[Mn+2],
,,,NET:A:5012,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:5034,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:5056,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:5077,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:5011,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:5033,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:5055,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:5076,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:2006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:2028,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:2050,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:2071,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1A9X,,,,,,,
,,,ADP:A:1900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:3900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:3910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:7900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:7910,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1930,invalid,,,,,[Cl-],
,,,CL:A:1931,invalid,,,,,[Cl-],
,,,CL:A:1932,invalid,,,,,[Cl-],
,,,CL:A:1934,invalid,,,,,[Cl-],
,,,CL:A:1935,invalid,,,,,[Cl-],
,,,CL:A:1936,invalid,,,,,[Cl-],
,,,CL:B:1933,invalid,,,,,[Cl-],
,,,CL:C:3930,invalid,,,,,[Cl-],
,,,CL:C:3931,invalid,,,,,[Cl-],
,,,CL:C:3932,invalid,,,,,[Cl-],
,,,CL:C:3934,invalid,,,,,[Cl-],
,,,CL:C:3935,invalid,,,,,[Cl-],
,,,CL:C:3936,invalid,,,,,[Cl-],
,,,CL:D:3933,invalid,,,,,[Cl-],
,,,CL:E:5930,invalid,,,,,[Cl-],
,,,CL:E:5931,invalid,,,,,[Cl-],
,,,CL:E:5932,invalid,,,,,[Cl-],
,,,CL:E:5934,invalid,,,,,[Cl-],
,,,CL:E:5935,invalid,,,,,[Cl-],
,,,CL:E:5936,invalid,,,,,[Cl-],
,,,CL:F:5933,invalid,,,,,[Cl-],
,,,CL:G:7930,invalid,,,,,[Cl-],
,,,CL:G:7931,invalid,,,,,[Cl-],
,,,CL:G:7932,invalid,,,,,[Cl-],
,,,CL:G:7934,invalid,,,,,[Cl-],
,,,CL:G:7935,invalid,,,,,[Cl-],
,,,CL:G:7936,invalid,,,,,[Cl-],
,,,CL:H:7933,invalid,,,,,[Cl-],
,,,K:A:1903,Part of Protein,,,,,[K+],
,,,K:A:1904,Part of Protein,,,,,[K+],
,,,K:A:1912,Part of Protein,,,,,[K+],
,,,K:A:1913,Part of Protein,,,,,[K+],
,,,K:A:1940,Part of Protein,,,,,[K+],
,,,K:A:1942,Part of Protein,,,,,[K+],
,,,K:A:1943,Part of Protein,,,,,[K+],
,,,K:B:1941,Part of Protein,,,,,[K+],
,,,K:C:3903,Part of Protein,,,,,[K+],
,,,K:C:3904,Part of Protein,,,,,[K+],
,,,K:C:3912,Part of Protein,,,,,[K+],
,,,K:C:3913,Part of Protein,,,,,[K+],
,,,K:C:3940,Part of Protein,,,,,[K+],
,,,K:C:3942,Part of Protein,,,,,[K+],
,,,K:C:3943,Part of Protein,,,,,[K+],
,,,K:D:3941,Part of Protein,,,,,[K+],
,,,K:E:5903,Part of Protein,,,,,[K+],
,,,K:E:5904,Part of Protein,,,,,[K+],
,,,K:E:5912,Part of Protein,,,,,[K+],
,,,K:E:5913,Part of Protein,,,,,[K+],
,,,K:E:5940,Part of Protein,,,,,[K+],
,,,K:E:5942,Part of Protein,,,,,[K+],
,,,K:E:5943,Part of Protein,,,,,[K+],
,,,K:F:5941,Part of Protein,,,,,[K+],
,,,K:G:7903,Part of Protein,,,,,[K+],
,,,K:G:7904,Part of Protein,,,,,[K+],
,,,K:G:7912,Part of Protein,,,,,[K+],
,,,K:G:7913,Part of Protein,,,,,[K+],
,,,K:G:7940,Part of Protein,,,,,[K+],
,,,K:G:7942,Part of Protein,,,,,[K+],
,,,K:G:7943,Part of Protein,,,,,[K+],
,,,K:H:7941,Part of Protein,,,,,[K+],
,,,MN:A:1901,Part of Protein,,,,,[Mn+2],
,,,MN:A:1902,Part of Protein,,,,,[Mn+2],
,,,MN:A:1911,Part of Protein,,,,,[Mn+2],
,,,MN:C:3901,Part of Protein,,,,,[Mn+2],
,,,MN:C:3902,Part of Protein,,,,,[Mn+2],
,,,MN:C:3911,Part of Protein,,,,,[Mn+2],
,,,MN:E:5901,Part of Protein,,,,,[Mn+2],
,,,MN:E:5902,Part of Protein,,,,,[Mn+2],
,,,MN:E:5911,Part of Protein,,,,,[Mn+2],
,,,MN:G:7901,Part of Protein,,,,,[Mn+2],
,,,MN:G:7902,Part of Protein,,,,,[Mn+2],
,,,MN:G:7911,Part of Protein,,,,,[Mn+2],
,,,NET:A:1950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:3950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:5950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:7950,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:1920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:3920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:5920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:7920,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:1906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1980,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1981,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1982,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3980,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3981,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3982,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5980,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5981,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:7906,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:7980,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:7981,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:7982,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JDB,,,,,,,
,,,ADP:B:1093,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1094,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1095,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1096,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1092,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1093,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:1095,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:1096,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:B:1085,invalid,,,,,[Cl-],
,,,CL:B:1086,invalid,,,,,[Cl-],
,,,CL:B:1087,invalid,,,,,[Cl-],
,,,CL:B:1088,invalid,,,,,[Cl-],
,,,CL:B:1089,invalid,,,,,[Cl-],
,,,CL:B:1090,invalid,,,,,[Cl-],
,,,CL:C:384,invalid,,,,,[Cl-],
,,,CL:E:1086,invalid,,,,,[Cl-],
,,,CL:E:1087,invalid,,,,,[Cl-],
,,,CL:E:1088,invalid,,,,,[Cl-],
,,,CL:E:1089,invalid,,,,,[Cl-],
,,,CL:E:1090,invalid,,,,,[Cl-],
,,,CL:E:1091,invalid,,,,,[Cl-],
,,,CL:E:1092,invalid,,,,,[Cl-],
,,,CL:F:384,invalid,,,,,[Cl-],
,,,CL:H:1084,invalid,,,,,[Cl-],
,,,CL:H:1085,invalid,,,,,[Cl-],
,,,CL:H:1086,invalid,,,,,[Cl-],
,,,CL:H:1087,invalid,,,,,[Cl-],
,,,CL:H:1088,invalid,,,,,[Cl-],
,,,CL:H:1089,invalid,,,,,[Cl-],
,,,CL:I:384,invalid,,,,,[Cl-],
,,,CL:K:1086,invalid,,,,,[Cl-],
,,,CL:K:1087,invalid,,,,,[Cl-],
,,,CL:K:1088,invalid,,,,,[Cl-],
,,,CL:K:1089,invalid,,,,,[Cl-],
,,,CL:K:1090,invalid,,,,,[Cl-],
,,,CL:K:1091,invalid,,,,,[Cl-],
,,,CL:L:384,invalid,,,,,[Cl-],
,,,GLN:B:1091,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:B:1092,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:E:1093,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:E:1094,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:H:1090,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:H:1091,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:K:1093,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:K:1094,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,K:B:1075,Part of Protein,,,,,[K+],
,,,K:B:1076,Part of Protein,,,,,[K+],
,,,K:B:1077,Part of Protein,,,,,[K+],
,,,K:B:1081,Part of Protein,,,,,[K+],
,,,K:B:1083,Part of Protein,,,,,[K+],
,,,K:B:1084,Part of Protein,,,,,[K+],
,,,K:C:383,Part of Protein,,,,,[K+],
,,,K:E:1075,Part of Protein,,,,,[K+],
,,,K:E:1076,Part of Protein,,,,,[K+],
,,,K:E:1077,Part of Protein,,,,,[K+],
,,,K:E:1081,Part of Protein,,,,,[K+],
,,,K:E:1083,Part of Protein,,,,,[K+],
,,,K:E:1084,Part of Protein,,,,,[K+],
,,,K:E:1085,Part of Protein,,,,,[K+],
,,,K:F:383,Part of Protein,,,,,[K+],
,,,K:H:1075,Part of Protein,,,,,[K+],
,,,K:H:1076,Part of Protein,,,,,[K+],
,,,K:H:1077,Part of Protein,,,,,[K+],
,,,K:H:1081,Part of Protein,,,,,[K+],
,,,K:H:1083,Part of Protein,,,,,[K+],
,,,K:I:383,Part of Protein,,,,,[K+],
,,,K:K:1075,Part of Protein,,,,,[K+],
,,,K:K:1076,Part of Protein,,,,,[K+],
,,,K:K:1077,Part of Protein,,,,,[K+],
,,,K:K:1081,Part of Protein,,,,,[K+],
,,,K:K:1083,Part of Protein,,,,,[K+],
,,,K:K:1084,Part of Protein,,,,,[K+],
,,,K:K:1085,Part of Protein,,,,,[K+],
,,,K:L:383,Part of Protein,,,,,[K+],
,,,MN:B:1073,Part of Protein,,,,,[Mn+2],
,,,MN:B:1074,Part of Protein,,,,,[Mn+2],
,,,MN:B:1079,Part of Protein,,,,,[Mn+2],
,,,MN:B:1080,Part of Protein,,,,,[Mn+2],
,,,MN:E:1073,Part of Protein,,,,,[Mn+2],
,,,MN:E:1074,Part of Protein,,,,,[Mn+2],
,,,MN:E:1079,Part of Protein,,,,,[Mn+2],
,,,MN:E:1080,Part of Protein,,,,,[Mn+2],
,,,MN:H:1073,Part of Protein,,,,,[Mn+2],
,,,MN:H:1074,Part of Protein,,,,,[Mn+2],
,,,MN:H:1079,Part of Protein,,,,,[Mn+2],
,,,MN:H:1080,Part of Protein,,,,,[Mn+2],
,,,MN:K:1073,Part of Protein,,,,,[Mn+2],
,,,MN:K:1074,Part of Protein,,,,,[Mn+2],
,,,MN:K:1079,Part of Protein,,,,,[Mn+2],
,,,MN:K:1080,Part of Protein,,,,,[Mn+2],
,,,NET:B:1096,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:1098,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:H:1095,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:K:1098,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:B:1095,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:1097,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:H:1094,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:K:1097,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:B:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1082,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1082,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:1082,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:1078,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:1082,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:K:1092,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1CE8,,,,,,,
,,,ADP:A:5000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:5007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:5020,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:5027,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5040,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:5047,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:5060,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:5067,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:5016,invalid,,,,,[Cl-],
,,,CL:A:5017,invalid,,,,,[Cl-],
,,,CL:A:5018,invalid,,,,,[Cl-],
,,,CL:C:5036,invalid,,,,,[Cl-],
,,,CL:C:5037,invalid,,,,,[Cl-],
,,,CL:C:5038,invalid,,,,,[Cl-],
,,,CL:E:5056,invalid,,,,,[Cl-],
,,,CL:E:5057,invalid,,,,,[Cl-],
,,,CL:E:5058,invalid,,,,,[Cl-],
,,,CL:G:5076,invalid,,,,,[Cl-],
,,,CL:G:5077,invalid,,,,,[Cl-],
,,,CL:G:5078,invalid,,,,,[Cl-],
,,,IMP:A:5012,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:5032,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:E:5052,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:G:5072,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:5003,Part of Protein,,,,,[K+],
,,,K:A:5004,Part of Protein,,,,,[K+],
,,,K:A:5005,Part of Protein,,,,,[K+],
,,,K:A:5009,Part of Protein,,,,,[K+],
,,,K:A:5010,Part of Protein,,,,,[K+],
,,,K:A:5015,Part of Protein,,,,,[K+],
,,,K:B:5019,Part of Protein,,,,,[K+],
,,,K:C:5023,Part of Protein,,,,,[K+],
,,,K:C:5024,Part of Protein,,,,,[K+],
,,,K:C:5025,Part of Protein,,,,,[K+],
,,,K:C:5029,Part of Protein,,,,,[K+],
,,,K:C:5030,Part of Protein,,,,,[K+],
,,,K:C:5035,Part of Protein,,,,,[K+],
,,,K:D:5039,Part of Protein,,,,,[K+],
,,,K:E:5043,Part of Protein,,,,,[K+],
,,,K:E:5044,Part of Protein,,,,,[K+],
,,,K:E:5045,Part of Protein,,,,,[K+],
,,,K:E:5049,Part of Protein,,,,,[K+],
,,,K:E:5050,Part of Protein,,,,,[K+],
,,,K:E:5055,Part of Protein,,,,,[K+],
,,,K:F:5059,Part of Protein,,,,,[K+],
,,,K:G:5063,Part of Protein,,,,,[K+],
,,,K:G:5064,Part of Protein,,,,,[K+],
,,,K:G:5065,Part of Protein,,,,,[K+],
,,,K:G:5069,Part of Protein,,,,,[K+],
,,,K:G:5070,Part of Protein,,,,,[K+],
,,,K:G:5075,Part of Protein,,,,,[K+],
,,,K:H:5079,Part of Protein,,,,,[K+],
,,,MN:A:5001,Part of Protein,,,,,[Mn+2],
,,,MN:A:5002,Part of Protein,,,,,[Mn+2],
,,,MN:A:5008,Part of Protein,,,,,[Mn+2],
,,,MN:C:5021,Part of Protein,,,,,[Mn+2],
,,,MN:C:5022,Part of Protein,,,,,[Mn+2],
,,,MN:C:5028,Part of Protein,,,,,[Mn+2],
,,,MN:E:5041,Part of Protein,,,,,[Mn+2],
,,,MN:E:5042,Part of Protein,,,,,[Mn+2],
,,,MN:E:5048,Part of Protein,,,,,[Mn+2],
,,,MN:G:5061,Part of Protein,,,,,[Mn+2],
,,,MN:G:5062,Part of Protein,,,,,[Mn+2],
,,,MN:G:5068,Part of Protein,,,,,[Mn+2],
,,,NET:A:5013,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:C:5033,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:E:5053,invalid,,,,,CC[N+](CC)(CC)CC,
,,,NET:G:5073,invalid,,,,,CC[N+](CC)(CC)CC,
,,,ORN:A:5011,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:5014,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:5031,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:5034,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:5051,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:5054,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:5071,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:5074,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,PO4:A:5006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5026,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:5046,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:5066,invalid,,,,,[O-]P(=O)([O-])[O-],
2.6.1.16,,,,,,,,,
,Family. Representative Entry is ,2POC,,,,,,,
,,,ACT:B:714,invalid,,,,,CC(=O)[O-],
,,,ACT:C:714,invalid,,,,,CC(=O)[O-],
,,,BG6:A:713,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:B:713,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:C:713,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,BG6:D:713,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NA:A:5001,Part of Protein,,,,,[Na+],
,,,NA:B:5002,Part of Protein,,,,,[Na+],
,,,NA:C:5003,Part of Protein,,,,,[Na+],
,,,NA:D:5004,Part of Protein,,,,,[Na+],
,,,UD1:A:5002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:5003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:5004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:5005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2PUV,,,,,,,
,,,ACT:A:713,invalid,,,,,CC(=O)[O-],
,,,ACT:C:713,invalid,,,,,CC(=O)[O-],
,,,M6R:A:5003,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,M6R:B:5004,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,M6R:C:5005,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,M6R:D:5006,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,NA:A:5001,Part of Protein,,,,,[Na+],
,,,NA:B:5002,Part of Protein,,,,,[Na+],
,,,NA:C:5003,Part of Protein,,,,,[Na+],
,,,NA:D:5004,Part of Protein,,,,,[Na+],
,,,UD1:A:5002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:5003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:5004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:5005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2PUT,,,,,,,
,,,ACT:A:713,invalid,,,,,CC(=O)[O-],
,,,ACT:C:713,invalid,,,,,CC(=O)[O-],
,,,F6R:A:5003,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:B:5004,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:C:5005,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:D:5006,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,NA:A:5001,Part of Protein,,,,,[Na+],
,,,NA:B:5002,Part of Protein,,,,,[Na+],
,,,NA:C:5003,Part of Protein,,,,,[Na+],
,,,NA:D:5004,Part of Protein,,,,,[Na+],
,,,UD1:A:5002,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:5003,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:5004,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:5005,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1MOQ,,,,,,,
,,,GLP:A:609,valid,Ki,=,0.35,mM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,MES:A:610,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MRD:A:611,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:617,invalid,,,,,[Na+],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MOS,,,,,,,
,,,AGP:A:609,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,MES:A:610,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:A:614,invalid,,,,,[Na+],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MOR,,,,,,,
,,,G6P:A:609,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1XFF,,,,,,,
,,,ACT:A:5302,invalid,,,,,CC(=O)[O-],
,,,GLU:A:5300,valid,Ki,=,15,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:9300,valid,Ki,=,15,uM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:A:5301,Part of Protein,,,,,[Na+],
,,,NA:B:9301,Part of Protein,,,,,[Na+],
,,1XFG,,,,,,,
,,,ACT:A:5302,invalid,,,,,CC(=O)[O-],
,,,HGA:A:5300,valid,,,,,C(CC(=O)NO)[C@@H](C(=O)O)N,
,,,HGA:B:9300,valid,,,,,C(CC(=O)NO)[C@@H](C(=O)O)N,
,,,NA:A:5301,Part of Protein,,,,,[Na+],
,,,NA:B:9301,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4AMV,,,,,,,
,,,F6R:B:1609,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:C:1609,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,F6R:A:1609,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,2J6H,,,,,,,
,,,G6Q:A:1610,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:1610,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,ONL:A:1609,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:B:1609,invalid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6R4H,,,,,,,
,,,G6Q:B:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:A:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GLU:A:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6R4J,,,,,,,
,,,G6Q:A:703,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:703,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,UD1:A:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,GLU:A:704,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6SVM,,,,,,,
,,,UD2:B:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:A:703,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,G6Q:B:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:A:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GLU:A:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6R4G,,,,,,,
,,,G6Q:A:703,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:703,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,UD1:A:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:701,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,6SVO,,,,,,,
,,,AGP:A:701,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,AGP:B:701,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
,,,GLU:A:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,6R4F,,,,,,,
,,,G6Q:A:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:B:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,6R4E,,,,,,,
,,,G6Q:B:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,G6Q:A:701,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)(O)O,
,,,GLU:A:702,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2ZJ3,,,,,,,
,,,G6P:A:1,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,2ZJ4,,,,,,,
,,,AGP:A:1,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O,
3.4.21.102,,,,,,,,,
,Family. Representative Entry is ,4C2G,,,,,,,
,,,ALA ALA ALA ALA:B:3,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,Family. Representative Entry is ,4C2C,,,,,,,
,,,ALA ALA ALA:B:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])C)C)C,
,,,ALA VAL PRO ALA:C:2,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C,
,,4C2F,,,,,,,
,,,ALA ALA ALA ALA SER ALA ALA:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)C)CO)C)C,
,,,ALA ALA ALA:B:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])C)C)C,
2.4.1.222,,,,,,,,,
,Family. Representative Entry is ,2J0B,,,,,,,
,,,K:A:1320,Part of Protein,,,,,[K+],
,,,MN:A:1321,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1322,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
6.3.2.28,,,,,,,,,
,Family. Representative Entry is ,3WO0,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALA:A:504,valid,,,,,C[C@@H](C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,3WNZ,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,3VMM,,,,,,,
,,,ADP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,P0D:A:504,valid,,,,,C[C@H](N)[P@](=O)(C[C@@H](Cc1ccccc1)C(=O)O)OP(=O)(O)O,
,,3WO1,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALA:A:504,valid,,,,,C[C@@H](C(=O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3VOT,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,PG4:B:507,invalid,,,,,C(COCCOCCOCCO)O,
4.1.2.13,,,,,,,,,
,Family. Representative Entry is ,5TKL,,,,,,,
,,,13P:A:402,invalid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,G3H:A:403,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,P6F:A:401,invalid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,5TKC,,,,,,,
,,,13P:A:401,invalid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,G3H:A:402,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,5TK3,,,,,,,
,,,13P:A:401,invalid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,G3H:A:402,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4TO8,,,,,,,
,,,FLC:A:302,valid,ic50,=,56.9,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:302,valid,ic50,=,56.9,mM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FJK,,,,,,,
,,,13P:A:1063,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:1073,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:C:1083,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:D:1093,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,3C56,,,,,,,
,,,PH4:A:309,valid,Ki,=,0.013,uM,C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O,
,,,PH4:B:309,valid,Ki,=,0.013,uM,C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,5UD0,,,,,,,
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,G3H:B:406,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,13P:B:405,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,3C52,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,PGH:A:404,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:404,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,5UCK,,,,,,,
,,,G3H:B:405,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:A:405,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,5UCN,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,3N9R,,,,,,,
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:K:310,invalid,,,,,[Cl-],
,,,CL:P:310,invalid,,,,,[Cl-],
,,,CL:U:310,invalid,,,,,[Cl-],
,,,CL:Z:310,invalid,,,,,[Cl-],
,,,CL:E:310,invalid,,,,,[Cl-],
,,,CL:J:310,invalid,,,,,[Cl-],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:B:309,Part of Protein,,,,,[Na+],
,,,NA:K:309,Part of Protein,,,,,[Na+],
,,,NA:P:309,Part of Protein,,,,,[Na+],
,,,NA:U:309,Part of Protein,,,,,[Na+],
,,,NA:Z:309,Part of Protein,,,,,[Na+],
,,,NA:E:309,Part of Protein,,,,,[Na+],
,,,NA:J:309,Part of Protein,,,,,[Na+],
,,,TD3:A:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:B:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:K:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:P:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:U:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:Z:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:E:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,TD3:J:311,valid,Ki,=,5.5,uM,C(CCO)CN(C(=O)COP(=O)(O)O)O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,,ZN:K:308,Part of Protein,,,,,[Zn+2],
,,,ZN:P:308,Part of Protein,,,,,[Zn+2],
,,,ZN:U:308,Part of Protein,,,,,[Zn+2],
,,,ZN:Z:308,Part of Protein,,,,,[Zn+2],
,,,ZN:E:308,Part of Protein,,,,,[Zn+2],
,,,ZN:J:308,Part of Protein,,,,,[Zn+2],
,,5VJF,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,13P:A:405,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,3N9S,,,,,,,
,,,CA:A:310,Part of Protein,,,,,[Ca+2],
,,,CA:B:309,Part of Protein,,,,,[Ca+2],
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:B:310,Part of Protein,,,,,[Na+],
,,,TD4:A:308,valid,Ki,=,0.07,uM,C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O,
,,,TD4:B:311,valid,Ki,=,0.07,uM,C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O,
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,5UD2,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,5UD4,,,,,,,
,,,P6T:B:404,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,P6T:A:404,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,5UCP,,,,,,,
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,G3H:B:406,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,13P:B:405,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,P6F:A:405,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,5UD3,,,,,,,
,,,P6F:A:404,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,P6F:B:404,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,5UCZ,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,3GAY,,,,,,,
,,,P6T:A:327,valid,Kd,=,20,nM,C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,P6T:B:329,valid,Kd,=,20,nM,C([C@H]([C@@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:326,Part of Protein,,,,,[Zn+2],
,,,ZN:B:328,Part of Protein,,,,,[Zn+2],
,,2ISW,,,,,,,
,,,PGH:A:325,valid,Ki,=,37,nM,C(C(=O)NO)OP(=O)(O)O,
,,,ZN:A:326,Part of Protein,,,,,[Zn+2],
,,3OHI,,,,,,,
,,,HDX:A:341,valid,Ki,=,14,uM,C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O,
,,,HDX:B:343,valid,Ki,=,14,uM,C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)O,
,,,ZN:A:340,Part of Protein,,,,,[Zn+2],
,,,ZN:B:342,Part of Protein,,,,,[Zn+2],
,,3GB6,,,,,,,
,,,P6F:A:327,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,P6F:B:329,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,ZN:A:326,Part of Protein,,,,,[Zn+2],
,,,ZN:A:330,Part of Protein,,,,,[Zn+2],
,,,ZN:B:328,Part of Protein,,,,,[Zn+2],
,,,ZN:B:331,Part of Protein,,,,,[Zn+2],
,,2ISV,,,,,,,
,,,PGH:A:325,valid,Ki,=,37,nM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:325,valid,Ki,=,37,nM,C(C(=O)NO)OP(=O)(O)O,
,,,ZN:A:326,Part of Protein,,,,,[Zn+2],
,,,ZN:B:326,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2PC4,,,,,,,
,,,GLU ASP ASN ASP TRP ASN:H:604,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,Family. Representative Entry is ,4TR9,,,,,,,
,,,ASP TRP ASN:I:604,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP TRP ASN:K:604,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP TRP ASN:H:604,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP TRP ASN:J:604,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,38D:B:401,valid,,,,,c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O,
,,,38D:K:701,valid,,,,,c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O,
,,,38D:C:401,valid,,,,,c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O,
,,,38D:A:401,valid,,,,,c1cc(c(cc1C(=O)N/N=C/c2ccc(cc2Cl)Cl)O)O,
,,,ALA ALA SER LEU TYR GLU LYS LYS ALA ALA:E:7,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)CCCC[NH3+])CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,Family. Representative Entry is ,1ADO,,,,,,,
,,,13P:A:1104,valid,Kd,~,1,uM,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:1053,valid,Kd,~,1,uM,C(C(=O)COP(=O)(O)O)O,
,,,SO4:C:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OT1,,,,,,,
,,,N3P:A:3001,valid,Ki,~,0.1,mM,c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O,
,,,N3P:B:3002,valid,Ki,~,0.1,mM,c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O,
,,,N3P:C:3003,valid,Ki,~,0.1,mM,c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O,
,,,N3P:D:3004,valid,Ki,~,0.1,mM,c1ccc2cc(c(cc2c1)C(=O)Nc3ccc(cc3)Cl)OP(=O)(O)O,
,,3BV4,,,,,,,
,,,13P:A:3371,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ZAJ,,,,,,,
,,,M2P:A:3001,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,M2P:B:3002,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,M2P:C:3003,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,M2P:D:3004,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,6ALD,,,,,,,
,,,2FP:A:700,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,2FP:B:700,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5VJE,,,,,,,
,,,GOS:A:403,valid,Ki,=,60,uM,C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,GOS:B:403,valid,Ki,=,60,uM,C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O)OP(=O)(O)O,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,5VJD,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,13P:A:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:404,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,1B57,,,,,,,
,,,CL:A:365,invalid,,,,,[Cl-],
,,,NA:A:364,Part of Protein,,,,,[Na+],
,,,NA:B:364,Part of Protein,,,,,[Na+],
,,,PGH:A:359,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:359,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,ZN:A:360,Part of Protein,,,,,[Zn+2],
,,,ZN:A:361,Part of Protein,,,,,[Zn+2],
,,,ZN:A:362,Part of Protein,,,,,[Zn+2],
,,,ZN:A:363,Part of Protein,,,,,[Zn+2],
,,,ZN:B:360,Part of Protein,,,,,[Zn+2],
,,,ZN:B:361,Part of Protein,,,,,[Zn+2],
,,,ZN:B:362,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1W8S,,,,,,,
,,,FBP:A:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:B:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:C:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:D:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:E:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:F:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:G:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:H:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:I:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,FBP:J:270,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4A22,,,,,,,
,,,NA:A:1345,Part of Protein,,,,,[Na+],
,,,NA:A:1346,Part of Protein,,,,,[Na+],
,,,NA:A:1347,Part of Protein,,,,,[Na+],
,,,NA:B:1348,Part of Protein,,,,,[Na+],
,,,NA:C:1346,Part of Protein,,,,,[Na+],
,,,NA:D:1346,Part of Protein,,,,,[Na+],
,,,SO4:A:1349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TD4:A:1344,valid,Kd,=,6.8,nM,C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O,
,,,TD4:B:1344,valid,Kd,=,6.8,nM,C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O,
,,,ZN:A:1348,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1345,Part of Protein,,,,,[Zn+2],
,,3EKL,,,,,,,
,,,13P:A:350,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:A:351,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,NA:A:354,Part of Protein,,,,,[Na+],
,,,ZN:A:352,Part of Protein,,,,,[Zn+2],
,,,ZN:A:353,Part of Protein,,,,,[Zn+2],
,,3EKZ,,,,,,,
,,,13P:A:350,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:A:351,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,G3P:A:352,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,NA:A:353,Part of Protein,,,,,[Na+],
,,,ZN:A:354,Part of Protein,,,,,[Zn+2],
,,,ZN:A:355,Part of Protein,,,,,[Zn+2],
,,4LV4,,,,,,,
,,,8HC:A:403,valid,Kd,=,9.39,uM,c1cc2ccc(nc2c(c1)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,1PE:A:406,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,4DEL,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,PGH:A:404,valid,Kd,=,21.1,nM,C(C(=O)NO)OP(=O)(O)O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,P6G:A:406,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,3ELF,,,,,,,
,,,2FP:A:350,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,NA:A:351,Part of Protein,,,,,[Na+],
,,,ZN:A:352,Part of Protein,,,,,[Zn+2],
,,,ZN:A:353,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3T2C,,,,,,,
,,,13P:A:411,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:A:412,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,MG:A:410,Part of Protein,,,,,[Mg+2],
,,3T2D,,,,,,,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,MG:A:410,Part of Protein,,,,,[Mg+2],
,,,MG:A:411,Part of Protein,,,,,[Mg+2],
,,,P6F:A:412,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,3T2E,,,,,,,
,,,F6R:A:3469,valid,,,,,C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1FDJ,,,,,,,
,,,13P:B:6002,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:C:7001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:D:8001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:D:8002,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,2FP:A:5001,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,2FP:B:6001,valid,,,,,C([C@H]([C@@H]([C@H](C(=O)COP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,G3P:B:6003,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,SO4:A:5000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:7000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:8000,invalid,,,,,[O-]S(=O)(=O)[O-],
2.5.1.2,,,,,,,,,
,Family. Representative Entry is ,4KYS,,,,,,,
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,VIB:A:501,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:501,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
1.1.1.39,,,,,,,,,
,Family. Representative Entry is ,1GZ4,,,,,,,
,,,ATP:A:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:602,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:602,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:602,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FUM:A:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:B:604,Part of Protein,,,,,[Mn+2],
,,,MN:C:604,Part of Protein,,,,,[Mn+2],
,,,MN:D:604,Part of Protein,,,,,[Mn+2],
,,,TTN:A:603,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,,TTN:B:603,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,,TTN:C:603,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,,TTN:D:603,invalid,,,,,C(C(=O)[O-])(C(=O)[O-])O,
,,1DO8,,,,,,,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:C:2604,Part of Protein,,,,,[Mn+2],
,,,MN:D:3604,Part of Protein,,,,,[Mn+2],
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,OXL:A:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:2603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:3603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1PJ3,,,,,,,
,,,FUM:A:700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:2700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:3700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:C:2604,Part of Protein,,,,,[Mn+2],
,,,MN:D:3604,Part of Protein,,,,,[Mn+2],
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYR:A:603,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1603,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:2603,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:3603,valid,,,,,CC(=O)C(=O)O,
,,1PJ2,,,,,,,
,,,FUM:A:700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:2700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:3700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:C:2604,Part of Protein,,,,,[Mn+2],
,,,MN:D:3604,Part of Protein,,,,,[Mn+2],
,,,NAI:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:2601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:2602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:3601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:3602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,LMR:A:701,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:1701,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:C:2701,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:D:3701,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,1GZ3,,,,,,,
,,,ATP:A:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:601,valid,Ki,=,0.2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FUM:A:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:605,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,MN:A:604,Part of Protein,,,,,[Mn+2],
,,,MN:B:604,Part of Protein,,,,,[Mn+2],
,,,MN:C:604,Part of Protein,,,,,[Mn+2],
,,,MN:D:604,Part of Protein,,,,,[Mn+2],
,,,OXL:A:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:603,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1QR6,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1PJ4,,,,,,,
,,,ATP:A:4601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:4602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:2601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:2602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:3601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:3602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FUM:A:700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:2700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:3700,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,MLT:A:701,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:1701,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:C:2701,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:D:3701,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MN:A:4604,Part of Protein,,,,,[Mn+2],
,,,MN:B:1604,Part of Protein,,,,,[Mn+2],
,,,MN:C:2604,Part of Protein,,,,,[Mn+2],
,,,MN:D:3604,Part of Protein,,,,,[Mn+2],
1.14.13.70,,,,,,,,,
,Family. Representative Entry is ,4C0C,,,,,,,
,,,SO4:A:1481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1490,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1489,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,WVH:A:1460,valid,Kd,<,10,nM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6F)F,
,,4UVR,,,,,,,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:1478,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J5Y:A:1477,valid,,,,,Cc1ccc(cc1N2CCN(CC2)c3ccc(c(c3)F)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)Nc6ccncc6)Cl,
,,2WUZ,,,,,,,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TPF:A:1460,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:B:1460,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,4COH,,,,,,,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,T9H:A:1460,valid,Kd,~,10,nM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6,
,,,T9H:B:1460,valid,Kd,~,10,nM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)S(=O)(=O)c6cccs6,
,,4C28,,,,,,,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:A:1478,invalid,,,,,C(CO)O,
,,,TW5:B:1460,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl,
,,,TW5:A:1460,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)Cl,
,,,CL:A:1479,invalid,,,,,[Cl-],
,,2WX2,,,,,,,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TPF:A:1460,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,TPF:B:1460,valid,,,,,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,4UQH,,,,,,,
,,,SO4:A:1478,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,25S:A:1485,valid,Kd,=,240,nM,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(c(c6)F)F,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4C27,,,,,,,
,,,26N:A:1460,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F,
,,,26N:B:1460,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)N5CCN(CC5)c6ccc(cc6)C(F)(F)F,
,,,EDO:A:1480,invalid,,,,,C(CO)O,
,,,EDO:B:1479,invalid,,,,,C(CO)O,
,,,EDO:A:1479,invalid,,,,,C(CO)O,
,,,HEM:B:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:1481,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4ZE0,,,,,,,
,,,VOR:A:602,valid,Kd,=,0.03,uM,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EAE,,,,,,,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,5L8:A:601,valid,,,,,c1ccc(c(c1)C[C@@](Cn2cncn2)(C3(CC3)Cl)O)Cl,
,,4ZE2,,,,,,,
,,,1YN:A:602,valid,Kd,=,0.13,uM,CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5HS1,,,,,,,
,,,VOR:A:602,valid,Kd,=,0.082,uM,C[C@@H](c1c(cncn1)F)[C@](Cn2cncn2)(c3ccc(cc3F)F)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4WMZ,,,,,,,
,,,TPF:A:602,valid,Kd,=,0.074,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EAG,,,,,,,
,,,HEM:A:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,5LU:A:601,valid,,,,,CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2,
,,4ZE1,,,,,,,
,,,X2N:A:602,valid,Kd,=,0.15,uM,CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5C[C@](OC5)(Cn6cncn6)c7ccc(cc7F)F,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EAD,,,,,,,
,,,5L9:A:602,valid,,,,,c1ccc(c(c1)C[C@](Cn2cncn2)(C3(CC3)Cl)O)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EQB,,,,,,,
,,,1YN:A:602,valid,,,,,CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4LXJ,,,,,,,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:A:603,invalid,,,,,O=O,
,,,LAN:A:602,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,
,,4ZDZ,,,,,,,
,,,TPF:A:602,valid,Kd,=,0.13,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4ZE3,,,,,,,
,,,TPF:A:602,valid,Kd,=,0.11,uM,c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5EAC,,,,,,,
,,,TBQ:A:602,valid,,,,,CC(C)(C)[C@](CCc1ccc(cc1)Cl)(Cn2cncn2)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4ZDY,,,,,,,
,,,1YN:A:602,valid,Kd,=,0.13,uM,CC[C@@H](C)N1C(=O)N(C=N1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,5TZ1,,,,,,,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,VT1:B:602,valid,Kd,=,20.7,nM,c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F,
,,,VT1:A:602,valid,Kd,=,20.7,nM,c1cc(ccc1c2ccc(nc2)C([C@](Cn3cnnn3)(c4ccc(cc4F)F)O)(F)F)OCC(F)(F)F,
,Family. Representative Entry is ,2CI0,,,,,,,
,,,1CM:A:1450,valid,Kd,=,5,uM,CC[C@H](c1ccccc1)C(=O)Nc2ccncc2,
,,,HEM:A:1449,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2VKU,,,,,,,
,,,DBE:A:1446,valid,Kd,=,29.5,uM,c1cc(ccc1C(=O)c2ccc(cc2)O)O,
,,,DBE:A:1447,valid,Kd,=,29.5,uM,c1cc(ccc1C(=O)c2ccc(cc2)O)O,
,,,DBE:A:1448,valid,Kd,=,29.5,uM,c1cc(ccc1C(=O)c2ccc(cc2)O)O,
,,,DBE:A:1449,valid,Kd,=,29.5,uM,c1cc(ccc1C(=O)c2ccc(cc2)O)O,
,,,HEM:A:1450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:1452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1X8V,,,,,,,
,,,ESL:A:471,valid,Kd,=,100,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O,
,,,ESL:A:472,valid,Kd,=,100,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O,
,,,HEM:A:470,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2W0A,,,,,,,
,,,CII:A:1450,valid,,,,,CC(C)[C@@H](C(=O)Nc1ccncc1)NC(=O)C2CCCCC2,
,,,HEM:A:470,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2W09,,,,,,,
,,,CM9:A:1451,valid,Kd,=,35.4,uM,CC1CCC(CC1)C(=O)N[C@@H](CCSC)C(=O)Nc2ccncc2,
,,,HEM:A:470,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2W0B,,,,,,,
,,,CMW:A:1450,valid,Kd,=,58.3,uM,Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2,
,,,HEM:A:470,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2CIB,,,,,,,
,,,CM6:A:1450,valid,Kd,=,7.2,uM,c1ccc(cc1)[C@@H](C(=O)Nc2ccncc2)NS(=O)(=O)c3cccc4c3nsn4,
,,,HEM:A:1449,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1E9X,,,,,,,
,,,HEM:A:460,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PIM:A:470,valid,,,,,c1ccc(cc1)c2cnc[nH]2,
,Family. Representative Entry is ,6CR2,,,,,,,
,,,LFV:A:602,valid,Kd,=,20,nM,c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,LFV:B:602,valid,Kd,=,20,nM,c1cc(ccc1c2nnc(o2)c3ccc(cc3F)OCC(F)(F)F)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5Cl)Cl,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3TIK,,,,,,,
,,,HEM:A:482,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:482,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:482,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:482,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JKF:A:490,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC,
,,,JKF:B:490,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC,
,,,JKF:C:490,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC,
,,,JKF:D:490,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5c(cccc5F)F)OC,
,Family. Representative Entry is ,4UHI,,,,,,,
,,,VFV:B:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:B:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:D:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:A:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:C:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:A:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:C:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:D:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,HEM:C:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4UHL,,,,,,,
,,,VFV:F:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:B:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:B:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:E:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:G:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:H:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:C:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:C:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:G:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:E:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:D:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:F:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:D:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:A:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:A:600,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,VFV:H:580,valid,Kd,=,103,nM,c1ccc(cc1)c2nnc(o2)c3ccc(cc3)C(=O)N[C@@H](Cn4ccnc4)c5ccc(cc5F)c6ccc(cc6)F,
,,,HEM:A:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:H:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:G:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:540,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6UEZ,,,,,,,
,,,LAN:B:602,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,
,,,LAN:A:602,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.4.1.333,,,,,,,,,
,Family. Representative Entry is ,5H40,,,,,,,
,,,CA:B:1205,Part of Protein,,,,,[Ca+2],
,,,CA:A:1204,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,5H41,,,,,,,
,,,SO4:A:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IFM:A:1203,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:B:1203,valid,,,,,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,GLC BGC:D:1,valid,,,,,,
,,,GLC BGC:C:1,valid,,,,,,
,,5H42,,,,,,,
,,,G1P:B:1201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:B:1202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,G1P:A:1201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,GLC:B:1203,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
3.4.24.7,,,,,,,,,
,Family. Representative Entry is ,1ZVX,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,FIN:A:994,valid,Ki,=,0.6,nM,CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1MNC,,,,,,,
,,,CA:A:283,Part of Protein,,,,,[Ca+2],
,,,PLH:A:280,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,
,,,ZN:A:281,Part of Protein,,,,,[Zn+2],
,,,ZN:A:282,Part of Protein,,,,,[Zn+2],
,,3DPE,,,,,,,
,,,AXB:A:1,valid,ic50,=,57,nM,c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1I76,,,,,,,
,,,BSI:A:1,valid,,,,,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1ZP5,,,,,,,
,,,2NI:A:1000,valid,ic50,=,1200,uM,CN(CCOc1ccc(cc1)c2ccc(cc2)C#N)C(=O)NO,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1JAP,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,PRO LEU GLY HOA:I:1,valid,,,,,O=C(NCC(=O)NO)C(NC(=O)C1[NH2+]CCC1)CC(C)C,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,2OY2,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:F:996,Part of Protein,,,,,[Ca+2],
,,,CA:F:997,Part of Protein,,,,,[Ca+2],
,,,ILE ALA GLY:W:207,valid,,,,,O=C(NC(C(=O)NCC=O)C)C([NH3+])C(CC)C,
,,,ILE ALA GLY:Y:207,valid,,,,,O=C(NC(C(=O)NCC=O)C)C([NH3+])C(CC)C,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:F:998,Part of Protein,,,,,[Zn+2],
,,,ZN:F:999,Part of Protein,,,,,[Zn+2],
,,1I73,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,PRO LEU PAT:B:1,valid,,,,,P(=O)([O-])([O-])C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(C)C)Cc1c2c([nH]c1)cccc2,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,3DNG,,,,,,,
,,,AXA:A:1,valid,ic50,=,7.4,nM,c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2,
,,,AXA:B:2,valid,ic50,=,7.4,nM,c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CCC[C@H]5CC(=O)N)C(=O)N3)NC(=O)CO2,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:996,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,1JAO,,,,,,,
,,,0D3:A:1,valid,Ki,=,1.2,uM,NULL,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1ZS0,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,EIN:A:994,valid,Ki,=,0.7,uM,CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O,
,,,MES:A:995,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1BZS,,,,,,,
,,,BSI:A:250,valid,ic50,=,10,nM,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=O)O,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,EPE:A:260,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1JAQ,,,,,,,
,,,01S:A:1,valid,Ki,=,33,uM,NULL,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,1KBC,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:996,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,HLE RIN:A:1,valid,,,,,O=C(NO)C(O)C(C(=O)NC1C(=O)NCCCCCCCCCC1)CC(C)C,
,,,HLE RIN:B:1,valid,,,,,O=C(NO)C(O)C(C(=O)NC1C(=O)NCCCCCCCCCC1)CC(C)C,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,1JAN,,,,,,,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,PRO LEU GLY HOA:I:1,valid,,,,,O=C(NCC(=O)NO)C(NC(=O)C1[NH2+]CCC1)CC(C)C,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,5H8X,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,7FY:A:306,valid,ic50,=,3.1,uM,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC3=CCC(=O)C(=O)C3,
,,,MES:A:307,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,5XT:A:305,valid,ic50,=,3.1,uM,c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O,
,,1MMB,,,,,,,
,,,BAT:A:1,valid,,,,,CC(C)C[C@H]([C@H](CSc1cccs1)C(=O)NO)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,3DPF,,,,,,,
,,,AXB:A:1,valid,,,,,c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N,
,,,AXB:B:2,valid,,,,,c1cc2c(cc1CNC(=O)C3=Nc4c(c5c(s4)CS(=O)(=O)CC5)C(=O)N3)C[N@@](CC2)C6=C(C(=O)C6=O)N,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,CA:B:996,Part of Protein,,,,,[Ca+2],
,,,CA:B:997,Part of Protein,,,,,[Ca+2],
,,,HAE:A:3,invalid,,,,,CC(=O)NO,
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,,ZN:B:998,Part of Protein,,,,,[Zn+2],
,,,ZN:B:999,Part of Protein,,,,,[Zn+2],
,,1JJ9,,,,,,,
,,,BBT:A:1000,valid,ic50,=,1700,nM,c1ccc(cc1)[C@]2(C(=O)NC(=NC2=O)O)N3CCC(CC3)CCO,
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,CA:A:997,Part of Protein,,,,,[Ca+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,,,ZN:A:999,Part of Protein,,,,,[Zn+2],
,,3TT4,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,E1S:A:1,valid,Ki,=,5.3,nM,Cc1ccc(s1)c2ccc(cc2)CCC(=O)N[C@@H](CCC(=O)O)C(=O)N,
,,,MES:A:243,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1FBL,,,,,,,
,,,CA:A:993,Part of Protein,,,,,[Ca+2],
,,,CA:A:994,Part of Protein,,,,,[Ca+2],
,,,CA:A:995,Part of Protein,,,,,[Ca+2],
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,HTA:A:900,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)NC,
,,,ZN:A:997,Part of Protein,,,,,[Zn+2],
,,,ZN:A:998,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2TCL,,,,,,,
,,,CA:A:173,Part of Protein,,,,,[Ca+2],
,,,CA:A:174,Part of Protein,,,,,[Ca+2],
,,,RO4:A:175,valid,ic50,=,9,nM,CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO,
,,,SM:A:171,invalid,,,,,[Sm+3],
,,,ZN:A:170,Part of Protein,,,,,[Zn+2],
,,,ZN:A:172,Part of Protein,,,,,[Zn+2],
,,1CGL,,,,,,,
,,,0ED:A:1,valid,Ki,=,135,nM,NULL,
,,,0ED:B:1,valid,Ki,=,135,nM,NULL,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,966C,,,,,,,
,,,CA:A:267,Part of Protein,,,,,[Ca+2],
,,,CA:A:268,Part of Protein,,,,,[Ca+2],
,,,CA:A:269,Part of Protein,,,,,[Ca+2],
,,,RS2:A:1,valid,Ki,=,23,nM,c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)C3(CCOCC3)CC(=O)NO,
,,,ZN:A:265,Part of Protein,,,,,[Zn+2],
,,,ZN:A:266,Part of Protein,,,,,[Zn+2],
,,1HFC,,,,,,,
,,,CA:A:277,Part of Protein,,,,,[Ca+2],
,,,PLH:A:280,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC,
,,,ZN:A:275,Part of Protein,,,,,[Zn+2],
,,,ZN:A:276,Part of Protein,,,,,[Zn+2],
3.1.1.75,,,,,,,,,
,Family. Representative Entry is ,4BTV,,,,,,,
,,,RB3:A:1345,valid,,,,,C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O,
,,,RB3:B:1343,valid,,,,,C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O,
,Family. Representative Entry is ,2D81,,,,,,,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RB3:A:451,valid,,,,,C[C@H](CC(=O)O[C@H](C)CC(=O)O[C@H](C)CC(=O)OC)O,
2.7.12.1,,,,,,,,,
,Family. Representative Entry is ,3HMO,,,,,,,
,,,7PE:A:1153,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:812,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:2,invalid,,,,,CC(C)O,
,,,IPA:A:3,invalid,,,,,CC(C)O,
,,,IPA:A:810,invalid,,,,,CC(C)O,
,,,STU:A:1,valid,Kd,=,30.5,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3HMP,,,,,,,
,,,7PE:A:1153,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,CX4:A:1,valid,Kd,=,3.24,uM,c1cc2c(cc1Cl)ncnc2NCC3CC3,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:812,invalid,,,,,CC(C)O,
,,,IPA:A:813,invalid,,,,,CC(C)O,
,,,IPA:A:814,invalid,,,,,CC(C)O,
,,,PEG:A:810,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5Y86,,,,,,,
,,,HRM:A:601,valid,ic50,=,0.8,uM,Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6A1G,,,,,,,
,,,9OL:A:801,valid,ic50,=,0.054,uM,CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C,
,,,9OL:B:801,valid,ic50,=,0.054,uM,CC1(Cc2cc(ccc2-c3c1c(ncn3)N)C(=C)C4CCNCC4)C,
,,5A4T,,,,,,,
,,,AJG:C:1481,valid,ic50,=,1.3,uM,CC(=O)N=C1Nc2ccc(cc2S1)C#N,
,,,AJG:B:1482,valid,ic50,=,1.3,uM,CC(=O)N=C1Nc2ccc(cc2S1)C#N,
,,,AJG:A:1482,valid,ic50,=,1.3,uM,CC(=O)N=C1Nc2ccc(cc2S1)C#N,
,,,AJG:D:1481,valid,ic50,=,1.3,uM,CC(=O)N=C1Nc2ccc(cc2S1)C#N,
,,5A4Q,,,,,,,
,,,Y3L:C:1481,valid,ic50,=,2.9,uM,CC(=O)Nc1nc2ccc(cc2s1)Cl,
,,,Y3L:B:1482,valid,ic50,=,2.9,uM,CC(=O)Nc1nc2ccc(cc2s1)Cl,
,,,Y3L:D:1481,valid,ic50,=,2.9,uM,CC(=O)Nc1nc2ccc(cc2s1)Cl,
,,,Y3L:A:1482,valid,ic50,=,2.9,uM,CC(=O)Nc1nc2ccc(cc2s1)Cl,
,,6EIQ,,,,,,,
,,,B6Z:B:501,valid,Ki,=,383,nM,CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N,
,,,B6Z:A:501,valid,Ki,=,383,nM,CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N,
,,,B6Z:C:501,valid,Ki,=,383,nM,CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N,
,,,B6Z:D:501,valid,Ki,=,383,nM,CN1CCN(CC1)c2ccc(c(c2)OC)Nc3nc(c(s3)C(=O)c4ccccc4)N,
,,6EIF,,,,,,,
,,,B5T:B:501,valid,Ki,=,104,nM,c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N,
,,,B5T:A:501,valid,Ki,=,104,nM,c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N,
,,,B5T:C:501,valid,Ki,=,104,nM,c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N,
,,,B5T:D:501,valid,Ki,=,104,nM,c1cc(cnc1)c2c[nH]c3c2cc(cn3)c4ccc(cc4)S(=O)(=O)N,
,,6A1F,,,,,,,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:808,invalid,,,,,C(COCCOCCO)O,
,,,9OF:A:807,valid,ic50,=,0.33,uM,CC1(Cc2cc(ccc2-c3c1c(ncn3)N)OC)C,
,,5A3X,,,,,,,
,,,QIV:A:1482,valid,ic50,=,0.8,uM,CC(=O)Nc1nc2cc(ccc2s1)O,
,,,QIV:C:1482,valid,ic50,=,0.8,uM,CC(=O)Nc1nc2cc(ccc2s1)O,
,,,QIV:D:1481,valid,ic50,=,0.8,uM,CC(=O)Nc1nc2cc(ccc2s1)O,
,,,QIV:B:1482,valid,ic50,=,0.8,uM,CC(=O)Nc1nc2cc(ccc2s1)O,
,,4YLK,,,,,,,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,4E2:A:519,valid,ic50,=,0.18,uM,c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Cl,
,,6EIL,,,,,,,
,,,B6B:A:501,valid,,,,,COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N,
,,,B6B:D:501,valid,,,,,COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N,
,,,B6B:B:501,valid,,,,,COc1ccc(cc1c2cnc(c(n2)C(=O)c3cccnc3)N)N,
,,6EIS,,,,,,,
,,,B6N:B:501,valid,Ki,=,252,nM,c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F,
,,,B6N:D:501,valid,Ki,=,252,nM,c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F,
,,,B6N:A:501,valid,Ki,=,252,nM,c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F,
,,,B6N:C:501,valid,Ki,=,252,nM,c1cc2c(cc1c3c[nH]nc3)c4c(cn2)C=CC(=O)N4c5ccc(cc5C(F)(F)F)F,
,,4MQ1,,,,,,,
,,,2C3:B:501,valid,,,,,COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl,
,,,2C3:C:501,valid,,,,,COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl,
,,,2C3:A:501,valid,,,,,COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl,
,,,2C3:D:501,valid,,,,,COc1ncc2c(n1)NC(=O)C(=C2)C(=O)Nc3cc(ccc3Cl)C(=O)N[C@H](CCN)c4cccc(c4)Cl,
,,,1PE:C:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6EIJ,,,,,,,
,,,B5Z:C:501,valid,Ki,=,1680,nM,c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5,
,,,B5Z:D:501,valid,Ki,=,1680,nM,c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5,
,,,B5Z:B:501,valid,Ki,=,1680,nM,c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5,
,,,B5Z:A:501,valid,Ki,=,1680,nM,c1cc(cc(c1)NC(=O)NCCN2CCOCC2)c3ccc4c(n3)sc(n4)NC(=O)C5CC5,
,,4YLL,,,,,,,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,4E3:A:515,valid,ic50,=,0.12,uM,c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br,
,,6EIR,,,,,,,
,,,B6H:C:501,valid,Ki,=,575,nM,CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N,
,,,B6H:D:501,valid,Ki,=,575,nM,CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N,
,,,B6H:A:501,valid,Ki,=,575,nM,CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N,
,,,B6H:B:501,valid,Ki,=,575,nM,CCC(=O)Nc1ccc(cc1)C(=O)c2c(nc(s2)Nc3ccc(cc3OC)N4CCN(CC4)C)N,
,Family. Representative Entry is ,5ZTN,,,,,,,
,,,CUR:A:501,valid,ic50,=,5,nM,COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=Cc2ccc(c(c2)OC)O)/O,
,,,CUR:B:501,valid,ic50,=,5,nM,COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=Cc2ccc(c(c2)OC)O)/O,
,,5LXC,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,7AA:A:501,valid,ic50,=,10.8,nM,COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl,
,,,7AA:B:501,valid,ic50,=,10.8,nM,COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl,
,Family. Representative Entry is ,5EH0,,,,,,,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,5NW:A:801,valid,Ki,=,0.0005,uM,CC(C)(C)CNc1c2c(ccn1)cnc(n2)Nc3ccc(cc3OC)c4cnn(c4)C,
,,6H3K,,,,,,,
,,,FMW:A:801,valid,Ki,=,0.11,mM,CCOc1cc(ccc1Nc2ncc3cc(nc(c3n2)NCC(C)(C)C)C)c4nncn4C,
,,,7PE:A:802,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,6TNC,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,O23:A:901,valid,ic50,=,17,nM,c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5,
,,5EHY,,,,,,,
,,,7PE:A:906,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:902,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:907,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:903,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:901,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:904,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:905,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,5O4:A:908,valid,ic50,=,0.81,uM,c1ccc(cc1)c2c3c(ccnc3c4ccoc4)n[nH]2,
,,,DMS:A:910,invalid,,,,,CS(=O)C,
,,5AP1,,,,,,,
,,,MG:A:1801,Part of Protein,,,,,[Mg+2],
,,,MG:A:1803,Part of Protein,,,,,[Mg+2],
,,,MG:A:1802,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1799,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1797,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1798,invalid,,,,,C(C(CO)O)O,
,,,O38:A:1796,valid,,,,,Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N,
,,5N84,,,,,,,
,,,NA:A:906,Part of Protein,,,,,[Na+],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,NA:A:905,Part of Protein,,,,,[Na+],
,,,NA:A:904,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,8Q5:A:901,valid,Kd,=,11,nM,CC(C)CNc1c2ncc(n2ccn1)c3ccc(cc3)C(=O)NC4CC4,
,,,PG0:A:907,invalid,,,,,COCCOCCO,
,,5EI8,,,,,,,
,,,5OE:A:901,valid,ic50,=,0.008,uM,Cn1cc(cn1)c2ccc(c(c2)OC)Nc3ncc4ccnc(c4n3)c5cnn(c5)C,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,4D2S,,,,,,,
,,,DYK:A:1794,valid,ic50,=,0.02,uM,CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5,
,Family. Representative Entry is ,6FYV,,,,,,,
,,,3NG:A:501,valid,ic50,=,11,nM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WU6,,,,,,,
,,,CL:A:1495,invalid,,,,,[Cl-],
,,,CL:A:1496,invalid,,,,,[Cl-],
,,,CL:A:1497,invalid,,,,,[Cl-],
,,,DKI:A:1484,valid,ic50,=,29.2,nM,c1cc(c(c(c1)F)NC(=S)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,DMS:A:1488,invalid,,,,,CS(=O)C,
,,,DMS:A:1489,invalid,,,,,CS(=O)C,
,,,DMS:A:1490,invalid,,,,,CS(=O)C,
,,,EDO:A:1491,invalid,,,,,C(CO)O,
,,,EDO:A:1492,invalid,,,,,C(CO)O,
,,,EDO:A:1493,invalid,,,,,C(CO)O,
,,,EDO:A:1494,invalid,,,,,C(CO)O,
,,,SO4:A:1485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6YTY,,,,,,,
,,,EAE:A:502,valid,,,,,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,2WU7,,,,,,,
,,,CL:A:1489,invalid,,,,,[Cl-],
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,SO4:A:1484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1486,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V25:A:1483,valid,ic50,=,530,nM,CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=CN)/C#N,
,,6FYR,,,,,,,
,,,EAQ:A:501,valid,,,,,CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4,
,,6YU1,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:C:517,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:C:515,invalid,,,,,C(CO)O,
,,,EDO:C:518,invalid,,,,,C(CO)O,
,,,EDO:C:513,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:C:509,invalid,,,,,C(CO)O,
,,,EDO:C:516,invalid,,,,,C(CO)O,
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PG4:C:505,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,KHC:A:510,valid,,,,,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4,
,,,KHC:C:519,valid,,,,,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4,
,,6FT7,,,,,,,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:B:507,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:B:506,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:B:505,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:B:504,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,E6Q:A:511,valid,,,,,c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4,
,,,E6Q:B:517,valid,,,,,c1ccc(cc1)c2c[nH]c3c2ccc4c3C(=O)N=C4,
,,6YTW,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,CL:A:510,invalid,,,,,[Cl-],
,,,PO4:A:511,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,EAE:A:512,valid,Kd,=,7.78,uM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EAE:B:512,valid,Kd,=,7.78,uM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,6FYP,,,,,,,
,,,3NG:A:501,valid,ic50,=,143,nM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,Family. Representative Entry is ,5X8I,,,,,,,
,,,SQZ:B:501,valid,ic50,=,2,nM,C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6,
,,,SQZ:A:501,valid,ic50,=,2,nM,C[C@@H](c1ccc(cc1)F)n2c3c4cc(ccc4ncc3nn2)c5ccc6c(c5)nco6,
,,6I5I,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,H3E:A:501,valid,,,,,Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cnn(c4)Cc5ccccc5,
,,2VAG,,,,,,,
,,,V25:A:1482,valid,ic50,=,19.7,nM,CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=CN)/C#N,
,,6YTG,,,,,,,
,,,KHC:A:502,valid,Ki,=,0.136,uM,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4,
,,,KHC:A:501,valid,Ki,=,0.136,uM,Cn1c2c(ccc(c2Cl)Cl)c3c1C(=O)NC4([C@H]3C#N)CCNCC4,
,,6I5H,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,H3N:A:507,valid,,,,,Cn1cc(cn1)c2ccc3c(n2)c(co3)c4cccc(c4)Oc5ccccc5,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,6ZLN,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,PKB:A:503,valid,Ki,=,0.036,uM,CCOc1ccc2c(cnn2n1)c3ccnc(n3)Nc4cc(cc(c4)OC)C(F)(F)F,
,,6FT9,,,,,,,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,E6W:C:501,valid,,,,,c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4,
,,,E6W:B:501,valid,,,,,c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4,
,,,E6W:A:501,valid,,,,,c1ccc(cc1)c2c3ccc4c(c3[nH]c2Br)C(=O)N=C4,
,,,BR:B:502,invalid,,,,,[Br-],
,,,BR:C:502,invalid,,,,,[Br-],
,,,BR:A:502,invalid,,,,,[Br-],
,,,NA:C:505,invalid,,,,,[Na+],
,,,NA:B:505,invalid,,,,,[Na+],
,,,NA:A:506,invalid,,,,,[Na+],
,,1Z57,,,,,,,
,,,DBQ:A:1,valid,,,,,c1c[nH]c2c1/C(=C3/C(=O)NC(=N3)N)/CCNC2=O,
,,6FYO,,,,,,,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EAQ:A:501,valid,,,,,CC(C)(C)c1ccc(cn1)C(=O)NC2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4,
,,6YTA,,,,,,,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,IYZ:A:702,valid,Ki,=,0.229,uM,CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4,
,,6YTE,,,,,,,
,,,EAE:C:501,valid,Kd,=,0.075,uM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,6FT8,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CL:A:509,invalid,,,,,[Cl-],
,,,NA:A:502,invalid,,,,,[Na+],
,,,E6T:A:501,valid,,,,,c1cc(cc(c1)O)c2c[nH]c3c2ccc4c3C(=O)N=C4,
,,7AK3,,,,,,,
,,,RH8:A:501,valid,,,,,CN1CCN(CC1)c2ccc(cc2F)Nc3nccc(n3)c4cnn5c4cccn5,
,,6YTI,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,7A7:A:605,valid,,,,,[H]/N=C(c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4F)OC)/OC,
,,6Q8K,,,,,,,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,FG9:A:502,valid,ic50,=,290,nM,c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N,
,,5J1W,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,6FB:C:505,valid,ic50,=,0.19,uM,c1cncc2c1cc3c(c2)cnc(n3)N,
,,,6FB:A:506,valid,ic50,=,0.19,uM,c1cncc2c1cc3c(c2)cnc(n3)N,
,,,6FB:B:503,valid,ic50,=,0.19,uM,c1cncc2c1cc3c(c2)cnc(n3)N,
,,,6FB:C:506,valid,ic50,=,0.19,uM,c1cncc2c1cc3c(c2)cnc(n3)N,
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6I5K,,,,,,,
,,,H3H:B:504,valid,,,,,CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C,
,,,H3H:C:504,valid,,,,,CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C,
,,,H3H:A:503,valid,,,,,CC(C)Oc1cccc(c1)c2coc3c2nc(cc3)c4cnn(c4)C,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6TW2,,,,,,,
,,,V25:E:2301,valid,,,,,CCOC(=O)c1c(c2ccc(c(c2n1C)Cl)Cl)/C(=CN)/C#N,
,,6YTD,,,,,,,
,,,EAE:A:501,valid,Ki,=,0.671,uM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,Family. Representative Entry is ,5N87,,,,,,,
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,PGF:A:902,invalid,,,,,CCOCCOCCOCCOC,
,,,N66:A:901,valid,Kd,=,0.56,nM,CCc1cccc(c1NC(=O)c2ccn-3c2CCc4c3nc(nc4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC,
,,5N9S,,,,,,,
,,,8QW:A:901,valid,Kd,=,2.4,nM,C[C@H](c1ccc(cc1)F)C(=O)Nc2ccc(cc2)c3ccc4nc(nn4c3)Nc5ccc(cc5OC)S(=O)(=O)C,
,,5AP0,,,,,,,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:A:1808,invalid,,,,,C(CO)O,
,,,EDO:A:1812,invalid,,,,,C(CO)O,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,EDO:A:1811,invalid,,,,,C(CO)O,
,,,EDO:A:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1809,invalid,,,,,C(CO)O,
,,,EDO:A:1806,invalid,,,,,C(CO)O,
,,,EDO:A:1810,invalid,,,,,C(CO)O,
,,,EDO:A:1807,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,EDO:A:1805,invalid,,,,,C(CO)O,
,,,EDO:A:1800,invalid,,,,,C(CO)O,
,,,AU5:A:1795,valid,,,,,CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3ncc4c(n3)N(C(=O)N4C)C5CCCC5,
,,,DMS:A:1798,invalid,,,,,CS(=O)C,
,,,DMS:A:1813,invalid,,,,,CS(=O)C,
,,,DMS:A:1799,invalid,,,,,CS(=O)C,
,,,P4C:A:1797,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,,P4C:A:1796,invalid,,,,,C(COCCOCCOCCOCCOCCOCC=O)O,
,,5MRB,,,,,,,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,CL:A:914,invalid,,,,,[Cl-],
,,,C5N:A:901,valid,Kd,=,471,nM,CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC)N6CCN(CC6)C)CC3)CC,
,,4C4J,,,,,,,
,,,X21:A:1795,valid,,,,,CC(C)(C)OC(=O)n1c2cc(ncc2cc1c3cnn(c3)C)Nc4ccc(cc4Cl)c5cncn5C,
,,5N93,,,,,,,
,,,8QE:A:901,valid,Kd,=,2.2,nM,CC(C)(C)Nc1c(c(cc(n1)Nc2ccc(cc2)C(=O)N)N)C#N,
,,4C4F,,,,,,,
,,,7PE:A:1797,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:1796,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:1798,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,EDO:A:1800,invalid,,,,,C(CO)O,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,7CE:A:1799,valid,,,,,COc1ccccc1Nc2cc3c(cc([nH]3)c4cnco4)cn2,
,,5AP6,,,,,,,
,,,EDO:A:1802,invalid,,,,,C(CO)O,
,,,EDO:A:1804,invalid,,,,,C(CO)O,
,,,EDO:A:1796,invalid,,,,,C(CO)O,
,,,EDO:A:1799,invalid,,,,,C(CO)O,
,,,EDO:A:1797,invalid,,,,,C(CO)O,
,,,EDO:A:1803,invalid,,,,,C(CO)O,
,,,EDO:A:1798,invalid,,,,,C(CO)O,
,,,EDO:A:1805,invalid,,,,,C(CO)O,
,,,EDO:A:1800,invalid,,,,,C(CO)O,
,,,EDO:A:1801,invalid,,,,,C(CO)O,
,,,PWU:A:1795,valid,,,,,Cc1ncc(n1C)c2ccc(cc2)Nc3cc4c(cc(n4C(=O)OC(C)C)c5cnn(c5)C)cn3,
,,,DMS:A:1806,invalid,,,,,CS(=O)C,
,,5EI6,,,,,,,
,,,5OQ:A:901,valid,ic50,=,0.099,uM,Cn1cc(cn1)c2cccc3c2cc(nc3)Nc4ccc(cc4OC)OC,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,,DMS:A:903,invalid,,,,,CS(=O)C,
,,5AP7,,,,,,,
,,,EDO:A:1797,invalid,,,,,C(CO)O,
,,,EDO:A:1798,invalid,,,,,C(CO)O,
,,,EDO:A:1796,invalid,,,,,C(CO)O,
,,,EDO:A:1800,invalid,,,,,C(CO)O,
,,,EDO:A:1799,invalid,,,,,C(CO)O,
,,,DMS:A:1801,invalid,,,,,CS(=O)C,
,,,SVE:A:1795,valid,,,,,CCc1cccc(c1NC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5OC(F)(F)F)C(=O)NC6CCN(CC6)C)CC3)CC,
,,3WZK,,,,,,,
,,,CL:A:900,invalid,,,,,[Cl-],
,,,O23:A:901,valid,ic50,=,58,nM,c1cc(sc1)CNc2c3ncc(n3ccn2)c4ccc(cc4)C(=O)NC5CC5,
,Family. Representative Entry is ,6FYL,,,,,,,
,,,3NG:A:501,valid,ic50,=,7,nM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,6FYK,,,,,,,
,,,EAZ:A:501,valid,ic50,=,3,nM,Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N,
,,,EAZ:C:501,valid,ic50,=,3,nM,Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N,
,,,EAZ:B:501,valid,ic50,=,3,nM,Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](CC(C)C)N,
,Family. Representative Entry is ,6G33,,,,,,,
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:C:502,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,5ID:A:501,valid,Kd,~,7,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:B:501,valid,Kd,~,7,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,5ID:C:501,valid,Kd,~,7,nM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)I,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6K0J,,,,,,,
,,,CQO:A:601,valid,ic50,=,13,nM,COc1ccc2c(c1)c(c3cc(ccc3n2)OC)SCCCN,
3.1.6.-,,,,,,,,,
,Family. Representative Entry is ,6S20,,,,,,,
,,,PGE:C:602,invalid,,,,,C(COCCOCCO)O,
,,,NG6:C:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)O)O)O,
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
3.1.27.5,,,,,,,,,
,Family. Representative Entry is ,1U1B,,,,,,,
,,,PAX:A:901,valid,Kd,=,16,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O,
,,,PAX:B:902,valid,Kd,=,16,nM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O,
,,1Z6D,,,,,,,
,,,IMP:A:919,valid,Ki,=,4.6,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:920,valid,Ki,=,4.6,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:921,valid,Ki,=,4.6,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1920,valid,Ki,=,4.6,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1921,valid,Ki,=,4.6,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,1O0H,,,,,,,
,,,ADP:A:1125,valid,Ki,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1126,valid,Ki,=,1.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1JVU,,,,,,,
,,,C2P:A:130,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,3D7B,,,,,,,
,,,FLC:A:125,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:126,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,U4S:A:127,valid,Ki,=,203,uM,C1CCN(C1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,3FL1,,,,,,,
,,,CGP:B:700,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,SO4:B:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6PVW,,,,,,,
,,,P0J:B:201,invalid,,,,,OP1(=O)OP(=O)(OP(=O)(OP(=O)(O1)O)O)O,
,,,OZV:A:201,valid,Ki,=,0.48,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP4(=O)OP(=O)(OP(=O)(OP(=O)(O4)O)O)O)O)O)N,
,,3D6Q,,,,,,,
,,,FLC:A:125,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:126,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,U3S:A:127,valid,Ki,=,172,uM,C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,3JW1,,,,,,,
,,,U5P:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3EV6,,,,,,,
,,,RSF:A:917,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:A:918,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:B:907,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:B:919,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:B:920,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,,RSF:B:921,valid,,,,,C1CO[C@H]2C1[C@H](CO2)O,
,,2W5I,,,,,,,
,,,ATP:A:1125,valid,Ki,=,0.86,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1125,valid,Ki,=,0.86,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3D8Y,,,,,,,
,,,FLC:A:125,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:126,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,T3S:A:127,valid,Ki,=,396,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3CCCCC3)O,
,,3D6O,,,,,,,
,,,U1S:A:125,valid,Ki,=,77,uM,CCOC(=O)C1CCN(CC1)C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,3LXO,,,,,,,
,,,T3P:A:601,valid,Kd,=,15,uM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)(O)O,
,,1O0O,,,,,,,
,,,A2P:A:998,valid,Ki,=,8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,A2P:B:999,valid,Ki,=,8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,1RPF,,,,,,,
,,,C3P:A:125,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,3D6P,,,,,,,
,,,U2S:A:125,valid,Ki,=,179,uM,C1COCCN1C[C@H]2[C@@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,4G8V,,,,,,,
,,,0EY:A:201,valid,Ki,=,1.6,uM,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=CC(=O)NC3=O,
,,1RNC,,,,,,,
,,,5GP:A:161,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4WYZ,,,,,,,
,,,U3P:B:401,valid,Kd,=,50,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,,U3P:A:401,valid,Kd,=,50,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,1ROB,,,,,,,
,,,C2P:A:126,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,1W4Q,,,,,,,
,,,UMF:A:1125,valid,Ki,=,5.5,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F,
,,,UMF:B:1125,valid,Ki,=,5.5,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F,
,,6PVV,,,,,,,
,,,5FA:A:201,valid,Ki,=,1.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,,5FA:B:201,valid,Ki,=,1.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)N,
,,1O0F,,,,,,,
,,,A3P:A:1301,valid,Ki,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:1401,valid,Ki,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,3EV4,,,,,,,
,,,ETF:A:903,valid,,,,,C(C(F)(F)F)O,
,,,ETF:A:905,valid,,,,,C(C(F)(F)F)O,
,,,ETF:A:923,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:901,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:902,valid,,,,,C(C(F)(F)F)O,
,,,ETF:B:922,valid,,,,,C(C(F)(F)F)O,
,,1RCA,,,,,,,
,,,CGP:A:150,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,CGP:A:160,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,PO4:A:170,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RND,,,,,,,
,,,DGP:A:126,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,SO4:A:125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4RSK,,,,,,,
,,,U3P:A:125,valid,Kd,=,47.4,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,1RCN,,,,,,,
,,,DA  DT  DA  DA:D:1,valid,,,,,,
,,6PVX,,,,,,,
,,,U5F:A:201,valid,Ki,=,0.068,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,U5F:A:202,valid,Ki,=,0.068,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,,U5F:B:201,valid,Ki,=,0.068,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O,
,,1RNM,,,,,,,
,,,C5P:E:200,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:E:125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2W5K,,,,,,,
,,,NDP:A:1125,valid,Ki,=,12,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1125,valid,Ki,=,12,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2G8R,,,,,,,
,,,N3E:A:998,valid,Ki,=,103,uM,C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO,
,,,N3E:A:999,valid,Ki,=,103,uM,C1CN(CCC1C(=O)O)[C@@H]2[C@H](O[C@H]([C@H]2O)N3C=CC(=O)NC3=O)CO,
,,1QHC,,,,,,,
,,,PUA:A:901,valid,Ki,=,27,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N,
,,,PUA:B:902,valid,Ki,=,27,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O)N,
,,3FL0,,,,,,,
,,,CGP:A:900,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,4WYP,,,,,,,
,,,AMP:A:401,valid,Kd,=,440,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,Kd,=,440,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,1O0M,,,,,,,
,,,U2P:A:1101,valid,Ki,=,7.1,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,,U2P:B:1201,valid,Ki,=,7.1,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,2QCA,,,,,,,
,,,DGP:A:200,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGP:A:300,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,3EV5,,,,,,,
,,,TMO:A:905,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:906,valid,,,,,C[N+](C)(C)[O-],
,,4S18,,,,,,,
,,,1PT:B:203,invalid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,1PT:B:202,valid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,1PT:A:203,invalid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,1PT:B:201,valid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,1PT:A:201,valid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,,1PT:A:202,valid,,,,,C1CC[C@@H]2[C@@H](C1)[NH2][Pt+2][NH2]2,
,,1EOS,,,,,,,
,,,U2G:A:130,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,,4RTE,,,,,,,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CPT:A:502,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:504,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:503,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:501,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,6XHC,,,,,,,
,,,V2G:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N,
,,,V2G:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NCC(=O)O)O)O)O)N,
,,1W4O,,,,,,,
,,,UA3:A:1125,valid,Ki,=,3,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O,
,,1RNN,,,,,,,
,,,C5P:E:200,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,FMT:E:131,invalid,,,,,C(=O)O,
,,2XOG,,,,,,,
,,,SFB:A:1125,valid,Ki,=,0.37,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N,
,,,SFB:B:1125,valid,Ki,=,0.37,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N,
,,6YO1,,,,,,,
,,,UVC:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O,
,,,UVC:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O,
,,1W4P,,,,,,,
,,,UM3:A:1125,valid,Ki,=,18,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O,
,,,UM3:B:1125,valid,Ki,=,18,uM,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O,
,,1AFL,,,,,,,
,,,ATR:A:125,valid,Ki,=,520,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,ATR:B:125,valid,Ki,=,520,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N,
,,,CIT:A:999,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:998,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3EV3,,,,,,,
,,,TBU:B:903,valid,,,,,CC(C)(C)O,
,,3RID,,,,,,,
,,,CGP:A:751,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,CGP:B:753,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,CGP:C:755,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,CGP:D:757,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@@H]4C[C@@H](O[C@H]4CO)N5C=CC(=NC5=O)N)O)N=C(NC2=O)N,
,,,PO4:B:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1RPG,,,,,,,
,,,CPA:A:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N,
,,,MPD:A:127,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1WBU,,,,,,,
,,,WBU:A:1125,valid,,,,,C1=C(C(=O)NC(=O)N1)N,
,,,WBU:B:1125,valid,,,,,C1=C(C(=O)NC(=O)N1)N,
,,6QE9,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J9H:B:201,valid,,,,,Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N,
,,,J9H:A:202,valid,,,,,Cc1ccc2ccc3c4c2[n+]1[Pt]5(N4C(=CC3)C)([C]=[C]5)(C)N,
,,4G8Y,,,,,,,
,,,0FT:A:201,valid,Ki,=,25.8,uM,CC1=CN(C(=O)NC1=O)Cc2cn(nn2)[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O,
,,1JN4,,,,,,,
,,,139:A:901,valid,Ki,=,11.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=O)NC5=O)O)O)N,
,,1O0N,,,,,,,
,,,U3P:A:1101,valid,Ki,=,82,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,,U3P:B:1201,valid,Ki,=,82,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,1AFK,,,,,,,
,,,PAP:A:125,valid,Ki,=,240,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,,PAP:B:125,valid,Ki,=,240,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N,
,,2XOI,,,,,,,
,,,SFB:A:1125,valid,Ki,=,0.00046,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N,
,,,SFB:B:1125,valid,Ki,=,0.00046,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NS(=O)(=O)C[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=CC(=O)NC5=O)CO)O)O)N,
,,1EOW,,,,,,,
,,,SO4:A:125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U2G:A:130,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,,5OGH,,,,,,,
,,,C3P:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,,C3P:A:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,NA:A:210,Part of Protein,,,,,[Na+],
,,,NA:A:209,invalid,,,,,[Na+],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5NA9,,,,,,,
,,,CS:A:203,invalid,,,,,[Cs+],
,,,CS:A:204,invalid,,,,,[Cs+],
,,,CS:A:205,invalid,,,,,[Cs+],
,,,CS:A:202,invalid,,,,,[Cs+],
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:A:213,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:A:211,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:A:214,invalid,,,,,[Cl-],
,,,QPT:A:201,valid,,,,,C1CC2(C1)C(=O)O[Pt](OC2=O)([NH3+])[NH3+],
,,1F0V,,,,,,,
,,,DC  DG:M:751,valid,,,,,,
,,,DC  DG:N:753,valid,,,,,,
,,,DC  DG:O:755,valid,,,,,,
,,,DC  DG:P:757,valid,,,,,,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:923,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:921,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:922,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:924,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:P:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2W5L,,,,,,,
,,,NAP:A:1125,valid,Ki,=,63,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1125,valid,Ki,=,63,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1RUV,,,,,,,
,,,TBU:A:126,valid,,,,,CC(C)(C)O,
,,,UVC:A:125,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)O[V](=O)(O3)(O)O,
,,1Z6S,,,,,,,
,,,AMP:A:1101,valid,Ki,=,46,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1102,valid,Ki,=,46,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4G90,,,,,,,
,,,0G0:A:201,valid,Ki,=,30.8,uM,c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O)CN3C=C(C(=O)NC3=O)F,
,,6F60,,,,,,,
,,,DW5:B:201,valid,,,,,CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45([C][C]5)C)C,
,,,DVW:A:202,valid,,,,,CC1=CC=C2C=CC3=CC=C([N]4=C3C2=[N]1[Pt]45(CC5)[N]6=CN(C(=C6)c7cn(nn7)[C@@H]8[C@H]([C@H]([C@H]([C@H](O8)O)O)O)O)C)C,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2W5G,,,,,,,
,,,ATP:A:1125,valid,Ki,=,0.86,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1125,valid,Ki,=,0.86,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3D8Z,,,,,,,
,,,FLC:B:125,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,TXS:A:125,valid,Ki,=,423,uM,CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CN3CCCC3)O,
,,5JLG,,,,,,,
,,,6L6:A:202,valid,,,,,CSC(=S)/C=C(/c1cccc(c1)O)O,
,,,6L6:B:202,valid,,,,,CSC(=S)/C=C(/c1cccc(c1)O)O,
,,,DMS:B:204,invalid,,,,,CS(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,RU:B:201,invalid,,,,,[Ru+3],
,,,RU:A:201,valid,,,,,[Ru+3],
,Family. Representative Entry is ,2BZZ,,,,,,,
,,,ACY:A:2136,invalid,,,,,CC(=O)O,
,,,AP5:A:2135,valid,Ki,=,0.37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,2C05,,,,,,,
,,,ACY:A:1135,invalid,,,,,CC(=O)O,
,,,B4P:A:1136,valid,Ki,=,1.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,1HI3,,,,,,,
,,,A2P:A:999,valid,Ki,=,64,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,2C01,,,,,,,
,,,ACY:X:1135,invalid,,,,,CC(=O)O,
,,,ATP:X:1136,valid,Ki,=,21,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2C02,,,,,,,
,,,ACY:A:1136,invalid,,,,,CC(=O)O,
,,,ADP:A:1135,valid,Ki,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1HI5,,,,,,,
,,,ADP:A:999,valid,Ki,=,92,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1HI4,,,,,,,
,,,A3P:A:301,valid,Ki,=,32,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,2Q4G,,,,,,,
,,,CIT:X:900,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5E13,,,,,,,
,,,5J9:A:201,valid,Ki,=,57.8,uM,c1c(nnn1[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N)CO)CN5C=CC(=NC5=O)N,
,Family. Representative Entry is ,3DJV,,,,,,,
,,,C3P:A:125,valid,Ki,=,27.9,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,,C3P:B:201,valid,Ki,=,27.9,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,11BA,,,,,,,
,,,SO4:A:127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPA:A:125,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N,
,,,UPA:B:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N,
,,1TQ9,,,,,,,
,,,CPA:A:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N,
,,,CPA:B:626,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N,
,,3DJO,,,,,,,
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,U2P:A:125,valid,Ki,=,40.8,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,,U2P:B:201,valid,Ki,=,40.8,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,1N3Z,,,,,,,
,,,ADN:A:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,U3P:A:125,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O,
,,1R5C,,,,,,,
,,,CPA:A:125,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N,
,,,CPA:B:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=CC(=NC5=O)N)O)N,
,,3DJQ,,,,,,,
,,,UDP:A:125,valid,Ki,=,1046.4,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:201,valid,Ki,=,1046.4,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3DJP,,,,,,,
,,,UA3:A:125,valid,Ki,=,63.2,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O,
,,,UA3:B:201,valid,Ki,=,63.2,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H](C(O2)CO)OP(=O)(O)O)O,
,,3DJX,,,,,,,
,,,C5P:A:125,valid,Ki,=,1557.9,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:201,valid,Ki,=,1557.9,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,11BG,,,,,,,
,,,SO4:A:125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:134,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:135,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:136,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U2G:A:130,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,,,U2G:A:131,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,,,U2G:A:132,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,,,U2G:B:133,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4N5C=CC(=O)NC5=O)CO)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1M07,,,,,,,
,,,DA  DC  DG  DA:C:1,valid,,,,,,
,,,DA  DC  DG  DA:D:1,valid,,,,,,
4.4.1.5,,,,,,,,,
,Family. Representative Entry is ,1QIN,,,,,,,
,,,GIP:A:300,valid,Ki,=,10,nM,c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I,
,,,GIP:B:400,valid,Ki,=,10,nM,c1cc(ccc1N(C(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,3VW9,,,,,,,
,,,EPE:A:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,HPJ:A:203,valid,ic50,=,0.011,uM,COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4,
,,,HPJ:B:202,valid,ic50,=,0.011,uM,COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)N3O)c4ccccc4,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,1FRO,,,,,,,
,,,GSB:A:200,valid,,,,,c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSB:B:200,valid,,,,,c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSB:C:200,valid,,,,,c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GSB:D:200,valid,,,,,c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,1QIP,,,,,,,
,,,BME:A:204,invalid,,,,,C(CS)O,
,,,BME:B:204,invalid,,,,,C(CS)O,
,,,BME:C:204,invalid,,,,,C(CS)O,
,,,BME:D:204,invalid,,,,,C(CS)O,
,,,GNB:A:1002,valid,,,,,c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GNB:B:1001,valid,,,,,c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GNB:C:1004,valid,,,,,c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GNB:D:1003,valid,,,,,c1cc(ccc1COC(O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:C:904,Part of Protein,,,,,[Zn+2],
,,,ZN:D:903,Part of Protein,,,,,[Zn+2],
,,4PV5,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,CBW:A:202,valid,,,,,CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C,
,,1BH5,,,,,,,
,,,GTX:A:200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:C:200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:D:200,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,4KYH,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZST:A:203,valid,,,,,c1ccc2c(c1)C(=NN(C2=O)Cc3nc4cc(ccc4s3)C(F)(F)F)CC(=O)O,
,,2ZA0,,,,,,,
,,,MGI:A:300,valid,Ki,=,0.23,uM,Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O,
,,,MGI:A:400,valid,Ki,=,0.23,uM,Cc1cc(c(c(c1)Oc2cc(c(c(c2)O)C(=O)OC)C)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4X2A,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,3WL:B:201,valid,Ki,=,0.183,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,,,3WL:A:203,valid,Ki,=,0.183,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2,
,Family. Representative Entry is ,4KYK,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,IMN:B:300,valid,Ki,=,18,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
4.1.3.1,,,,,,,,,
,Family. Representative Entry is ,6G1O,,,,,,,
,,,GLV:A:502,valid,,,,,C(=O)C(=O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6C4A,,,,,,,
,,,3NP:C:505,invalid,,,,,C(C[N+](=O)[O-])C(=O)O,
,,,3NP:B:502,invalid,,,,,C(C[N+](=O)[O-])C(=O)O,
,,,MG:F:505,Part of Protein,,,,,[Mg+2],
,,,MG:H:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:H:504,invalid,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:506,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:H:501,invalid,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:F:504,invalid,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:H:505,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,PYR:G:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:503,valid,,,,,CC(=O)C(=O)O,
,,,PYR:H:502,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:502,valid,,,,,CC(=O)C(=O)O,
,,,PYR:A:501,valid,,,,,CC(=O)C(=O)O,
,,,EPE:F:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:G:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PEG:G:505,invalid,,,,,C(COCCO)O,
,,,PEG:H:506,invalid,,,,,C(COCCO)O,
,,,PEG:C:504,invalid,,,,,C(COCCO)O,
,,,PEG:E:504,invalid,,,,,C(COCCO)O,
,,,PEG:F:506,invalid,,,,,C(COCCO)O,
,,,PEG:D:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,1F8I,,,,,,,
,,,GLV:A:461,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:462,valid,,,,,C(=O)C(=O)O,
,,,GLV:C:463,valid,,,,,C(=O)C(=O)O,
,,,GLV:D:464,valid,,,,,C(=O)C(=O)O,
,,,MG:A:451,Part of Protein,,,,,[Mg+2],
,,,MG:B:452,Part of Protein,,,,,[Mg+2],
,,,MG:C:453,Part of Protein,,,,,[Mg+2],
,,,MG:D:454,Part of Protein,,,,,[Mg+2],
,,,SIN:A:471,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:472,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:473,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:474,valid,,,,,C(CC(=O)O)C(=O)O,
,,6C4C,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:H:501,invalid,,,,,[Mg+2],
,,,MG:H:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:G:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,MG:G:503,Part of Protein,,,,,[Mg+2],
,,,MG:H:504,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,PYR:G:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:E:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:F:501,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:501,valid,,,,,CC(=O)C(=O)O,
,,,GLV:H:502,valid,,,,,C(=O)C(=O)O,
,,,GLV:D:501,valid,,,,,C(=O)C(=O)O,
,,,GLV:A:501,valid,,,,,C(=O)C(=O)O,
,,,3NP:E:504,invalid,,,,,C(C[N+](=O)[O-])C(=O)O,
,Family. Representative Entry is ,1IGW,,,,,,,
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:441,Part of Protein,,,,,[Mg+2],
,,,MG:C:441,Part of Protein,,,,,[Mg+2],
,,,MG:D:441,Part of Protein,,,,,[Mg+2],
,,,PYR:A:1444,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1445,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1446,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:1447,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,6EE1,,,,,,,
,,,MG:D:802,Part of Protein,,,,,[Mg+2],
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:C:802,Part of Protein,,,,,[Mg+2],
,,,ACO:A:801,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:801,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:801,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:801,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5E9H,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MLI:A:602,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5E9G,,,,,,,
,,,GLV:B:601,valid,,,,,C(=O)C(=O)O,
,,,GLV:C:601,valid,,,,,C(=O)C(=O)O,
,,,GLV:A:601,valid,,,,,C(=O)C(=O)O,
,,,GLV:D:601,valid,,,,,C(=O)C(=O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
3.5.1.41,,,,,,,,,
,Family. Representative Entry is ,4NZ4,,,,,,,
,,,NDG:B:504,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:A:504,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,4NZ1,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,CA:B:503,invalid,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,4OUI,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,NAG NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,4NZ3,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
3.6.1.17,,,,,,,,,
,Family. Representative Entry is ,1KTG,,,,,,,
,,,AMP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,OH:A:506,invalid,,,,,[OH-],
,,,OH:B:605,invalid,,,,,[OH-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
2.1.1.79,,,,,,,,,
,Family. Representative Entry is ,1L1E,,,,,,,
,,,CO3:A:903,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:904,invalid,,,,,C(=O)([O-])[O-],
,,,SAH:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1TPY,,,,,,,
,,,16A:A:1901,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,CO3:A:902,invalid,,,,,C(=O)([O-])[O-],
,,,SAH:A:1900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6BQC,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,CO3:A:401,invalid,,,,,C(=O)([O-])[O-],
,,,LOP:A:402,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCCCCCCC=C/CCCCCCCC,
,Family. Representative Entry is ,1KPH,,,,,,,
,,,10A:A:1901,valid,,,,,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,
,,,10A:B:2901,valid,,,,,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,
,,,10A:C:3901,valid,,,,,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,
,,,10A:D:4901,valid,,,,,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC,
,,,CO3:A:1902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:2902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:3902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:4902,invalid,,,,,C(=O)([O-])[O-],
,,,SAH:A:1900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:3900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:4900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1KPG,,,,,,,
,,,16A:A:1901,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,16A:B:2901,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,16A:C:3901,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,16A:D:4901,valid,,,,,CCCCCCCCCCCCCCCC[N+](C)(C)C,
,,,CO3:A:1902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:2902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:3902,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:4902,invalid,,,,,C(=O)([O-])[O-],
,,,SAH:A:1900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:3900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:4900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
2.8.2.22,,,,,,,,,
,Family. Representative Entry is ,4P05,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4NS:A:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O,
,,,4NS:B:601,valid,,,,,c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O,
,,4P06,,,,,,,
,,,MUX:A:602,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O,
,,,MUX:B:603,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)OS(=O)(=O)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ETS,,,,,,,
,,,4MU:A:572,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)O,
,,,4MU:B:572,valid,,,,,CC1=CC(=O)Oc2c1ccc(c2)O,
,,,SO4:A:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ETT,,,,,,,
,,,NPO:A:572,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,NPO:B:572,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,,SO4:A:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:576,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:574,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:575,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:576,invalid,,,,,[O-]S(=O)(=O)[O-],
2.5.1.9,,,,,,,,,
,Family. Representative Entry is ,2B99,,,,,,,
,,,RDL:A:1205,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:A:1208,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:B:1206,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:B:1209,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:B:1210,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:C:1201,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:C:1204,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:D:1203,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:E:1202,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,,,RDL:E:1207,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O,
,Family. Representative Entry is ,2C94,,,,,,,
,,,K:A:1161,Part of Protein,,,,,[K+],
,,,K:A:1162,Part of Protein,,,,,[K+],
,,,K:A:1163,Part of Protein,,,,,[K+],
,,,K:A:1164,Part of Protein,,,,,[K+],
,,,K:B:1161,Part of Protein,,,,,[K+],
,,,K:B:1162,Part of Protein,,,,,[K+],
,,,K:B:1163,Part of Protein,,,,,[K+],
,,,K:B:1164,Part of Protein,,,,,[K+],
,,,K:C:1161,Part of Protein,,,,,[K+],
,,,K:C:1162,Part of Protein,,,,,[K+],
,,,K:D:1161,Part of Protein,,,,,[K+],
,,,K:D:1162,Part of Protein,,,,,[K+],
,,,K:D:1163,Part of Protein,,,,,[K+],
,,,K:D:1164,Part of Protein,,,,,[K+],
,,,K:E:1161,Part of Protein,,,,,[K+],
,,,K:E:1162,Part of Protein,,,,,[K+],
,,,K:E:1163,Part of Protein,,,,,[K+],
,,,TSF:A:701,valid,Ka,=,6540000,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O,
,,,TSF:B:701,valid,Ka,=,6540000,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O,
,,,TSF:C:701,valid,Ka,=,6540000,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O,
,,,TSF:D:701,valid,Ka,=,6540000,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O,
,,,TSF:E:701,valid,Ka,=,6540000,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CC(F)(F)P(=O)(O)O,
,,2C97,,,,,,,
,,,ACT:A:1165,invalid,,,,,CC(=O)[O-],
,,,ACT:B:632,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1164,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1163,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1164,invalid,,,,,CC(=O)[O-],
,,,DTD:E:1166,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,JCL:A:701,valid,Ka,=,1380000,M^-1,C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl,
,,,JCL:B:701,valid,Ka,=,1380000,M^-1,C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl,
,,,JCL:C:701,valid,Ka,=,1380000,M^-1,C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl,
,,,JCL:D:701,valid,Ka,=,1380000,M^-1,C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl,
,,,JCL:E:701,valid,Ka,=,1380000,M^-1,C(CCOP(=O)(O)O)CC1=C(NC(=O)NC1=O)Cl,
,,,K:A:1161,Part of Protein,,,,,[K+],
,,,K:A:1162,Part of Protein,,,,,[K+],
,,,K:A:1163,Part of Protein,,,,,[K+],
,,,K:A:1164,Part of Protein,,,,,[K+],
,,,K:B:1161,Part of Protein,,,,,[K+],
,,,K:B:1162,Part of Protein,,,,,[K+],
,,,K:B:1163,Part of Protein,,,,,[K+],
,,,K:B:1164,Part of Protein,,,,,[K+],
,,,K:C:1161,Part of Protein,,,,,[K+],
,,,K:C:1162,Part of Protein,,,,,[K+],
,,,K:C:1163,Part of Protein,,,,,[K+],
,,,K:D:1161,Part of Protein,,,,,[K+],
,,,K:D:1162,Part of Protein,,,,,[K+],
,,,K:E:1161,Part of Protein,,,,,[K+],
,,,K:E:1162,Part of Protein,,,,,[K+],
,,,K:E:1163,Part of Protein,,,,,[K+],
,,,MPD:A:1166,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1167,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1165,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:1165,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:1164,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:1165,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1W19,,,,,,,
,,,ACY:A:1161,invalid,,,,,CC(=O)O,
,,,ACY:B:1161,invalid,,,,,CC(=O)O,
,,,ACY:C:632,invalid,,,,,CC(=O)O,
,,,ACY:D:1161,invalid,,,,,CC(=O)O,
,,,ACY:E:1161,invalid,,,,,CC(=O)O,
,,,D1D:E:1166,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,DTU:A:1162,Part of Protein,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:B:1162,Part of Protein,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTV:C:1161,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,DTV:D:1162,Part of Protein,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,DTV:E:1162,Part of Protein,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,K:A:1164,Part of Protein,,,,,[K+],
,,,K:A:1165,Part of Protein,,,,,[K+],
,,,K:A:1166,Part of Protein,,,,,[K+],
,,,K:B:1164,Part of Protein,,,,,[K+],
,,,K:B:1165,Part of Protein,,,,,[K+],
,,,K:B:1166,Part of Protein,,,,,[K+],
,,,K:C:1163,Part of Protein,,,,,[K+],
,,,K:C:1164,Part of Protein,,,,,[K+],
,,,K:C:1165,Part of Protein,,,,,[K+],
,,,K:D:1164,Part of Protein,,,,,[K+],
,,,K:D:1165,Part of Protein,,,,,[K+],
,,,K:E:1164,Part of Protein,,,,,[K+],
,,,K:E:1165,Part of Protein,,,,,[K+],
,,,T1P:A:1163,valid,,,,,C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O,
,,,T2P:B:1163,valid,,,,,C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O,
,,,T4P:D:1163,valid,,,,,C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O,
,,,T4P:E:1163,valid,,,,,C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@H]([C@@H](CO)O)O)O)COP(=O)(O)O,
,,,T5P:C:1162,valid,,,,,C(CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O)COP(=O)(O)O,
,,2C92,,,,,,,
,,,DTU:D:1163,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,DTU:E:1163,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,K:A:1161,Part of Protein,,,,,[K+],
,,,K:A:1162,Part of Protein,,,,,[K+],
,,,K:A:1163,Part of Protein,,,,,[K+],
,,,K:B:1161,Part of Protein,,,,,[K+],
,,,K:B:1162,Part of Protein,,,,,[K+],
,,,K:B:1163,Part of Protein,,,,,[K+],
,,,K:C:1161,Part of Protein,,,,,[K+],
,,,K:C:1162,Part of Protein,,,,,[K+],
,,,K:C:1163,Part of Protein,,,,,[K+],
,,,K:D:1161,Part of Protein,,,,,[K+],
,,,K:D:1162,Part of Protein,,,,,[K+],
,,,K:E:1161,Part of Protein,,,,,[K+],
,,,K:E:1162,Part of Protein,,,,,[K+],
,,,MPD:E:1164,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,TP6:A:701,valid,Ka,=,474900,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O,
,,,TP6:B:701,valid,Ka,=,474900,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O,
,,,TP6:C:701,valid,Ka,=,474900,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O,
,,,TP6:D:701,valid,Ka,=,474900,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O,
,,,TP6:E:701,valid,Ka,=,474900,M^-1,C(CCN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O)CCOP(=O)(O)O,
,,2VI5,,,,,,,
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:B:603,Part of Protein,,,,,[K+],
,,,K:C:601,Part of Protein,,,,,[K+],
,,,K:C:603,Part of Protein,,,,,[K+],
,,,K:D:601,Part of Protein,,,,,[K+],
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:E:601,Part of Protein,,,,,[K+],
,,,K:E:603,Part of Protein,,,,,[K+],
,,,K:F:601,Part of Protein,,,,,[K+],
,,,K:G:601,Part of Protein,,,,,[K+],
,,,K:H:601,Part of Protein,,,,,[K+],
,,,K:I:601,Part of Protein,,,,,[K+],
,,,K:J:601,Part of Protein,,,,,[K+],
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,Y19:A:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:B:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:C:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:D:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:E:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:F:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:G:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:H:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:I:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,Y19:J:201,valid,Ki,=,110,uM,CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,1W29,,,,,,,
,,,ACY:A:1161,invalid,,,,,CC(=O)O,
,,,ACY:B:1161,invalid,,,,,CC(=O)O,
,,,ACY:D:1161,invalid,,,,,CC(=O)O,
,,,ACY:E:1161,invalid,,,,,CC(=O)O,
,,,D1D:E:1165,invalid,,,,,C1[C@H]([C@@H](CSS1)O)O,
,,,K:A:1163,Part of Protein,,,,,[K+],
,,,K:A:1164,Part of Protein,,,,,[K+],
,,,K:A:1165,Part of Protein,,,,,[K+],
,,,K:B:1163,Part of Protein,,,,,[K+],
,,,K:B:1164,Part of Protein,,,,,[K+],
,,,K:B:1165,Part of Protein,,,,,[K+],
,,,K:C:1162,Part of Protein,,,,,[K+],
,,,K:C:1163,Part of Protein,,,,,[K+],
,,,K:C:1164,Part of Protein,,,,,[K+],
,,,K:D:1163,Part of Protein,,,,,[K+],
,,,K:D:1164,Part of Protein,,,,,[K+],
,,,K:E:1163,Part of Protein,,,,,[K+],
,,,K:E:1164,Part of Protein,,,,,[K+],
,,,TS0:D:1162,valid,,,,,C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@H]([C@@H](CO)O)O)O,
,,,TS1:A:1162,valid,,,,,C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,TS1:B:1162,valid,,,,,C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,TS1:C:1161,valid,,,,,C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,TS1:E:1162,valid,,,,,C(CCOP(=O)(O)O)CN1C2=C(NC(=O)NC2=O)N(C1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,1KZL,,,,,,,
,,,CRM:A:501,valid,,,,,C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,CRM:A:502,valid,,,,,C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,4G6I,,,,,,,
,,,RS3:C:301,valid,,,,,Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RS3:B:301,valid,,,,,Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RS3:A:301,valid,,,,,Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RS3:A:302,valid,,,,,Cc1cc2c(cc1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,4GQN,,,,,,,
,,,INI:A:302,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:C:302,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:A:301,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:B:302,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:C:301,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
,,,INI:B:301,valid,,,,,C([C@@H]([C@@H]([C@@H](CO)O)O)O)NC1=C(C(=O)NC(=O)N1)[N+](=O)[O-],
5.4.99.2,,,,,,,,,
,Family. Representative Entry is ,6OXC,,,,,,,
,,,5AD:A:1001,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:1000,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,6OXD,,,,,,,
,,,K:A:1003,Part of Protein,,,,,[K+],
,,,B12:A:1000,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,5AD NJS:A:1001,valid,,,,,S(C(=O)C=C(C(=O)[O-])CCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)CC[NH2+]C(O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,Family. Representative Entry is ,2XIQ,,,,,,,
,,,5AD:A:4001,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:4001,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:3001,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:B:3001,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,MLC:A:5001,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:B:5001,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,Family. Representative Entry is ,1REQ,,,,,,,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,DCA:A:801,valid,,,,,CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DCA:C:801,valid,,,,,CCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:639,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:640,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:639,invalid,,,,,C(C(CO)O)O,
,,6REQ,,,,,,,
,,,3CP:A:1801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O,
,,,3CP:C:2801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC(=O)O)O,
,,,B12:A:1800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:2800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3002,invalid,,,,,C(C(CO)O)O,
,,2REQ,,,,,,,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,COA:A:801,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:801,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5REQ,,,,,,,
,,,B12:A:1800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:2800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3004,invalid,,,,,C(C(CO)O)O,
,,,MCD:A:1802,valid,,,,,C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O,
,,,MCD:C:2802,valid,,,,,C[C@@H](C(=O)CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O,
,,,SCD:A:1801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O,
,,,SCD:C:2801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCC(=O)CCC(=O)O)O,
,,4REQ,,,,,,,
,,,5AD:A:803,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:C:803,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B12:A:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:639,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:639,invalid,,,,,C(C(CO)O)O,
,,,MCA:A:802,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MCA:C:802,valid,,,,,C[C@H](C(=O)O)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SCA:A:801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:C:801,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,7REQ,,,,,,,
,,,2CP:A:1801,valid,,,,,C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O,
,,,2CP:C:2801,valid,,,,,C[C@@H](CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)O,
,,,B12:A:1800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,B12:C:2800,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,,,GOL:B:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:3004,invalid,,,,,C(C(CO)O)O,
2.7.8.7,,,,,,,,,
,Family. Representative Entry is ,2WAT,,,,,,,
,,,CL:A:2887,invalid,,,,,[Cl-],
,,,CL:B:2891,invalid,,,,,[Cl-],
,,,CL:D:2889,invalid,,,,,[Cl-],
,,,CL:E:2890,invalid,,,,,[Cl-],
,,,COA:B:2887,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2888,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:2887,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:2887,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:2888,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:B:2889,Part of Protein,,,,,[Mg+2],
,,,MG:B:2890,Part of Protein,,,,,[Mg+2],
,,,MG:C:2888,Part of Protein,,,,,[Mg+2],
,,,MG:D:2887,Part of Protein,,,,,[Mg+2],
,,,MG:E:2889,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1FTH,,,,,,,
,,,A3P:B:5001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:C:5002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3QMN,,,,,,,
,,,A3P:O:2575,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,ACT:A:2597,invalid,,,,,CC(=O)[O-],
,,,ACT:C:2598,invalid,,,,,CC(=O)[O-],
,,,ACT:E:2594,invalid,,,,,CC(=O)[O-],
,,,ACT:K:2563,invalid,,,,,CC(=O)[O-],
,,,ACT:K:629,invalid,,,,,CC(=O)[O-],
,,,ACT:R:2595,invalid,,,,,CC(=O)[O-],
,,,ACT:T:2568,invalid,,,,,CC(=O)[O-],
,,,ACT:W:2596,invalid,,,,,CC(=O)[O-],
,,,CA:A:2514,Part of Protein,,,,,[Ca+2],
,,,CA:A:2552,Part of Protein,,,,,[Ca+2],
,,,CA:B:2515,Part of Protein,,,,,[Ca+2],
,,,CA:B:2551,Part of Protein,,,,,[Ca+2],
,,,CA:C:2513,Part of Protein,,,,,[Ca+2],
,,,CA:C:2553,Part of Protein,,,,,[Ca+2],
,,,CA:D:2517,Part of Protein,,,,,[Ca+2],
,,,CA:D:2540,Part of Protein,,,,,[Ca+2],
,,,CA:E:2519,Part of Protein,,,,,[Ca+2],
,,,CA:E:2554,Part of Protein,,,,,[Ca+2],
,,,CA:F:2516,Part of Protein,,,,,[Ca+2],
,,,CA:F:2518,Part of Protein,,,,,[Ca+2],
,,,CA:G:2520,Part of Protein,,,,,[Ca+2],
,,,CA:G:2523,Part of Protein,,,,,[Ca+2],
,,,CA:H:2522,Part of Protein,,,,,[Ca+2],
,,,CA:H:2524,Part of Protein,,,,,[Ca+2],
,,,CA:I:2521,Part of Protein,,,,,[Ca+2],
,,,CA:I:2525,Part of Protein,,,,,[Ca+2],
,,,CA:J:2527,Part of Protein,,,,,[Ca+2],
,,,CA:J:2542,Part of Protein,,,,,[Ca+2],
,,,CA:K:2529,Part of Protein,,,,,[Ca+2],
,,,CA:K:569,Part of Protein,,,,,[Ca+2],
,,,CA:L:2526,Part of Protein,,,,,[Ca+2],
,,,CA:L:2528,Part of Protein,,,,,[Ca+2],
,,,CA:M:2530,Part of Protein,,,,,[Ca+2],
,,,CA:M:2533,Part of Protein,,,,,[Ca+2],
,,,CA:N:2532,Part of Protein,,,,,[Ca+2],
,,,CA:O:2531,Part of Protein,,,,,[Ca+2],
,,,CA:P:1426,Part of Protein,,,,,[Ca+2],
,,,CA:P:2534,Part of Protein,,,,,[Ca+2],
,,,CA:Q:2535,Part of Protein,,,,,[Ca+2],
,,,CA:Q:2536,Part of Protein,,,,,[Ca+2],
,,,CA:R:1607,Part of Protein,,,,,[Ca+2],
,,,CA:R:2512,Part of Protein,,,,,[Ca+2],
,,,CA:S:2538,Part of Protein,,,,,[Ca+2],
,,,CA:S:2539,Part of Protein,,,,,[Ca+2],
,,,CA:T:1792,Part of Protein,,,,,[Ca+2],
,,,CA:T:2545,Part of Protein,,,,,[Ca+2],
,,,CA:U:2537,Part of Protein,,,,,[Ca+2],
,,,CA:U:2546,Part of Protein,,,,,[Ca+2],
,,,CA:V:2547,Part of Protein,,,,,[Ca+2],
,,,CA:V:2557,Part of Protein,,,,,[Ca+2],
,,,CA:W:2548,Part of Protein,,,,,[Ca+2],
,,,CA:W:2549,Part of Protein,,,,,[Ca+2],
,,,CA:X:2550,Part of Protein,,,,,[Ca+2],
,,,CA:X:2556,Part of Protein,,,,,[Ca+2],
,,,CL:A:128,invalid,,,,,[Cl-],
,,,CL:C:2558,invalid,,,,,[Cl-],
,,,CL:E:2591,invalid,,,,,[Cl-],
,,,CL:G:2574,invalid,,,,,[Cl-],
,,,CL:J:2541,invalid,,,,,[Cl-],
,,,CL:L:2543,invalid,,,,,[Cl-],
,,,CL:M:2555,invalid,,,,,[Cl-],
,,,CL:P:2544,invalid,,,,,[Cl-],
,,,CL:T:2592,invalid,,,,,[Cl-],
,,,COA:A:127,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:129,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:169,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:283,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:387,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:477,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:570,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:H:630,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:I:699,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:J:780,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:K:900,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:L:1008,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:N:1221,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:N:1333,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:O:1127,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:P:1424,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:Q:1515,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:R:1606,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:S:1696,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:T:1791,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:U:1854,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:W:2019,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:W:2105,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:X:1944,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MPD:A:2570,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:127,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:2571,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:2560,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:571,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:631,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:2561,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:2572,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:O:1334,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:P:1425,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Q:2567,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:R:2566,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:S:1697,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:U:1698,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:V:1945,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:W:2106,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:D:2573,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:F:2559,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:K:2564,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:L:2562,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:N:2565,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:T:2569,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6CT5,,,,,,,
,,,DMS:A:312,invalid,,,,,CS(=O)C,
,,,DMS:B:311,invalid,,,,,CS(=O)C,
,,,DMS:A:310,invalid,,,,,CS(=O)C,
,,,DMS:B:312,invalid,,,,,CS(=O)C,
,,,DMS:B:310,invalid,,,,,CS(=O)C,
,,,DMS:A:311,invalid,,,,,CS(=O)C,
,,,DMS:B:309,invalid,,,,,CS(=O)C,
,,,FD7:A:302,valid,ic50,=,2.5,uM,[H]/N=C(/NCC)NC(=O)Nc1c(cccc1CC)CC,
,,,FD7:B:302,valid,ic50,=,2.5,uM,[H]/N=C(/NCC)NC(=O)Nc1c(cccc1CC)CC,
,,,FD7:A:303,valid,ic50,=,2.5,uM,[H]/N=C(/NCC)NC(=O)Nc1c(cccc1CC)CC,
,,,MG:A:306,invalid,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,invalid,,,,,[Mg+2],
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4QJK,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1F7L,,,,,,,
,,,CA:A:130,Part of Protein,,,,,[Ca+2],
,,,CA:A:132,Part of Protein,,,,,[Ca+2],
,,,CL:A:131,invalid,,,,,[Cl-],
,,,COA:A:133,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4QJL,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3HYK,,,,,,,
,,,A3P:A:125,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:C:125,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:C:126,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:124,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:127,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,MG:B:120,Part of Protein,,,,,[Mg+2],
,,,MG:A:120,Part of Protein,,,,,[Mg+2],
,,,MG:A:121,Part of Protein,,,,,[Mg+2],
,,,MG:A:123,Part of Protein,,,,,[Mg+2],
,,,MG:B:121,Part of Protein,,,,,[Mg+2],
,,,MG:B:123,Part of Protein,,,,,[Mg+2],
,,,MG:C:120,Part of Protein,,,,,[Mg+2],
,,,MG:C:121,Part of Protein,,,,,[Mg+2],
,,,MG:C:123,Part of Protein,,,,,[Mg+2],
,,,CL:A:122,invalid,,,,,[Cl-],
,,,CL:B:122,invalid,,,,,[Cl-],
,,,CL:B:124,invalid,,,,,[Cl-],
,,,CL:B:125,invalid,,,,,[Cl-],
,,,CL:C:122,invalid,,,,,[Cl-],
,,,CL:C:124,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3HQJ,,,,,,,
,,,COA:A:150,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:131,Part of Protein,,,,,[Mg+2],
,,,MG:A:134,Part of Protein,,,,,[Mg+2],
,,,MG:A:145,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JBZ,,,,,,,
,,,COA:A:1126,valid,Kd,=,0.38,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,K:A:1125,Part of Protein,,,,,[K+],
,,,MG:A:1124,Part of Protein,,,,,[Mg+2],
,,2WDS,,,,,,,
,,,COA:A:1124,valid,Kd,=,0.45,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:1125,invalid,,,,,[Mg+2],
,,2WDO,,,,,,,
,,,ACO:A:1125,valid,Kd,=,2.4,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:1126,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:1127,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1124,invalid,,,,,[Mg+2],
,,,SO4:A:1128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WDY,,,,,,,
,,,COA:A:1128,valid,Kd,=,0.85,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:1124,invalid,,,,,[Mg+2],
,,,MG:A:1126,invalid,,,,,[Mg+2],
,,,NA:A:1127,invalid,,,,,[Na+],
1.14.13.54,,,,,,,,,
,Family. Representative Entry is ,4AP3,,,,,,,
,,,FAD:A:1552,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1553,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AOS,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1554,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1555,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1556,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1557,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1558,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AOX,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1550,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1553,invalid,,,,,[O-]S(=O)(=O)[O-],
2.4.2.21,,,,,,,,,
,Family. Representative Entry is ,4KQI,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,NIO:A:403,valid,,,,,c1cc(cnc1)C(=O)O,
,,,RBZ:A:401,valid,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,1L4G,,,,,,,
,,,MCT:A:990,valid,,,,,Cc1ccc(c(c1)O)O,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,1D0S,,,,,,,
,,,DMD:A:999,valid,,,,,Cc1cc2c(cc1C)nc[nH]2,
,,,PO4:A:998,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L4K,,,,,,,
,,,34A:A:990,valid,,,,,Cc1ccc(cc1C)N,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,4KQF,,,,,,,
,,,ADE:A:704,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KQJ,,,,,,,
,,,NCN:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,PCR:A:402,valid,,,,,Cc1ccc(cc1)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1L4F,,,,,,,
,,,150:A:990,valid,,,,,Cc1cc(c(cc1C)N)N,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,1JHV,,,,,,,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,PCR:A:990,valid,,,,,Cc1ccc(cc1)O,
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KQG,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,PO4:A:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMD:A:702,valid,,,,,Cc1cc2c(cc1C)nc[nH]2,
,,1L4N,,,,,,,
,,,2AF:A:990,valid,,,,,c1ccc(c(c1)N)O,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JHM,,,,,,,
,,,5MB:A:990,valid,,,,,Cc1ccc2c(c1)[nH]cn2,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JHU,,,,,,,
,,,PCR:A:990,valid,,,,,Cc1ccc(cc1)O,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JH8,,,,,,,
,,,ADE:A:999,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,PO4:A:997,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:998,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L4M,,,,,,,
,,,2AC:A:990,valid,,,,,Cc1ccc(c(c1)N)O,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,1L5L,,,,,,,
,,,7RP:A:990,valid,,,,,c1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,1L4L,,,,,,,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,XYD:A:990,valid,,,,,Cc1ccc(c(c1)N)C,
,,1JHQ,,,,,,,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,PMO:A:990,valid,,,,,COc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,1L5K,,,,,,,
,,,1RB:A:990,valid,,,,,c1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,1JHP,,,,,,,
,,,5OB:A:990,valid,,,,,COc1ccc2c(c1)[nH]cn2,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JHY,,,,,,,
,,,IPH:A:990,valid,,,,,c1ccc(cc1)O,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L5M,,,,,,,
,,,7RA:A:990,valid,,,,,c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)N,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,1JHA,,,,,,,
,,,AAM:A:990,valid,,,,,c1nc(c2c(n1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,1JHX,,,,,,,
,,,IPH:A:990,valid,,,,,c1ccc(cc1)O,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1JHO,,,,,,,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,RMB:A:990,valid,,,,,Cc1ccc2c(c1)ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,1JHR,,,,,,,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,P2P:A:990,valid,,,,,c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O,
,,1L4E,,,,,,,
,,,RBZ:A:990,valid,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,4KQK,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PCR:B:703,valid,,,,,Cc1ccc(cc1)O,
,,,PCR:A:403,valid,,,,,Cc1ccc(cc1)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,1D0V,,,,,,,
,,,NIO:A:991,valid,,,,,c1cc(cnc1)C(=O)O,
,,,RBZ:A:990,valid,,,,,Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,1L5O,,,,,,,
,,,2MP:A:990,valid,,,,,Cc1ccc(cc1C)O,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,1L5F,,,,,,,
,,,BZI:A:990,valid,,,,,c1ccc2c(c1)[nH]cn2,
,,,PO4:A:991,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:992,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1L4H,,,,,,,
,,,IND:A:990,valid,,,,,c1ccc2c(c1)cc[nH]2,
,,,NCN:A:991,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,Family. Representative Entry is ,4HDK,,,,,,,
,,,13X:A:702,valid,,,,,c1c(cc(cc1O)O)O,
,,,13X:B:402,valid,,,,,c1c(cc(cc1O)O)O,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,4HDR,,,,,,,
,,,DMD:A:801,valid,,,,,Cc1cc2c(cc1C)nc[nH]2,
,,,DMD:C:801,valid,,,,,Cc1cc2c(cc1C)nc[nH]2,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:C:802,invalid,,,,,C(CO)O,
,,,EDO:C:803,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,4HDM,,,,,,,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,PCR:A:801,valid,,,,,Cc1ccc(cc1)O,
,,4HDS,,,,,,,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,IPH:A:801,valid,,,,,c1ccc(cc1)O,
2.7.7.75,,,,,,,,,
,Family. Representative Entry is ,6HSO,,,,,,,
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,MG:A:809,invalid,,,,,[Mg+2],
,,,MG:A:810,Part of Protein,,,,,[Mg+2],
,,,PO4:A:812,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MPD:A:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ADP:A:811,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,3F7:D:1201,invalid,,,,,c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O,
1.14.11.4,,,,,,,,,
,Family. Representative Entry is ,6FXR,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,UDP:A:804,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AKG:A:803,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:805,Part of Protein,,,,,[Fe+2],
,,,FE2:A:806,Part of Protein,,,,,[Fe+2],
,,,MN:A:807,Part of Protein,,,,,[Mn+2],
,,6FXY,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,UDP:A:804,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AKG:A:803,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:805,Part of Protein,,,,,[Fe+2],
,,,FE2:A:806,Part of Protein,,,,,[Fe+2],
,,,MN:A:807,Part of Protein,,,,,[Mn+2],
,,6FXM,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,AKG:A:805,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:806,Part of Protein,,,,,[Fe+2],
,,,MN:A:808,Part of Protein,,,,,[Mn+2],
,,,MN:A:807,Part of Protein,,,,,[Mn+2],
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6FXT,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,UDP:A:804,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:A:808,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AKG:A:803,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:805,Part of Protein,,,,,[Fe+2],
,,,FE2:A:806,Part of Protein,,,,,[Fe+2],
,,,MN:A:807,Part of Protein,,,,,[Mn+2],
4.1.3.39,,,,,,,,,
,Family. Representative Entry is ,4JN6,,,,,,,
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:403,Part of Protein,,,,,[Mn+2],
,,,OXL:A:401,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:401,valid,,,,,C(=O)(C(=O)[O-])[O-],
3.1.1.64,,,,,,,,,
,Family. Representative Entry is ,4RSE,,,,,,,
,,,PLM:A:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,A6V:B:603,valid,ic50,=,396,nM,CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O,
,,,A6V:A:603,valid,ic50,=,396,nM,CC1=C(C(CCC1)(C)C)COc2cccc(c2)[C@@H](CCN)O,
,,,FE2:B:601,Part of Protein,,,,,[Fe+2],
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,5UL5,,,,,,,
,,,8D7:B:603,valid,ic50,=,106,nM,CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O,
,,,8D7:A:603,valid,ic50,=,106,nM,CCCC(CCC)COc1cccc(c1)[C@@H](CCN)O,
,,,NA:B:605,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,PLM:A:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE2:B:601,Part of Protein,,,,,[Fe+2],
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,PG6:A:605,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:B:604,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,4RSC,,,,,,,
,,,A3V:B:603,valid,ic50,=,232,nM,c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O,
,,,A3V:A:603,valid,ic50,=,232,nM,c1cc(cc(c1)OCC2CCCCC2)[C@@H](CCN)O,
,,,PLM:A:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,FE2:B:601,Part of Protein,,,,,[Fe+2],
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,5ULG,,,,,,,
,,,PG4:B:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,NA:B:605,Part of Protein,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,PLM:A:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:602,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,8E4:B:603,valid,ic50,=,189,nM,CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O,
,,,8E4:A:603,valid,ic50,=,189,nM,CCC[C@@H](CCO)COc1cccc(c1)[C@@H](CCN)O,
,,,FE2:B:601,Part of Protein,,,,,[Fe+2],
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
2.4.2.19,,,,,,,,,
,Family. Representative Entry is ,2JBM,,,,,,,
,,,SRT:A:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:E:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:F:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:G:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:H:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:I:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:J:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:K:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:L:401,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3C2O,,,,,,,
,,,NTM:A:300,valid,Kd,=,0.45,mM,c1cc(c(nc1)C(=O)O)C(=O)O,
,,3C2R,,,,,,,
,,,PHT:A:300,valid,Kd,=,0.78,mM,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:B:301,valid,Kd,=,0.78,mM,c1ccc(c(c1)C(=O)O)C(=O)O,
,,3C2F,,,,,,,
,,,PRP:A:300,valid,Kd,=,10.1,mM,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,,3C2V,,,,,,,
,,,PHT:A:301,valid,Kd,=,0.78,mM,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PRP:A:300,valid,Kd,=,10.1,mM,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2B7N,,,,,,,
,,,NTM:A:1001,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:B:1002,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:C:1003,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,SO4:A:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4I9A,,,,,,,
,,,NCN:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,NCN:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,Family. Representative Entry is ,1QPR,,,,,,,
,,,MN:A:286,invalid,,,,,[Mn+2],
,,,MN:A:287,invalid,,,,,[Mn+2],
,,,MN:B:286,invalid,,,,,[Mn+2],
,,,MN:B:287,invalid,,,,,[Mn+2],
,,,MN:C:286,invalid,,,,,[Mn+2],
,,,MN:C:287,invalid,,,,,[Mn+2],
,,,MN:D:286,invalid,,,,,[Mn+2],
,,,MN:D:287,invalid,,,,,[Mn+2],
,,,MN:E:286,invalid,,,,,[Mn+2],
,,,MN:E:287,invalid,,,,,[Mn+2],
,,,MN:F:286,invalid,,,,,[Mn+2],
,,,MN:F:287,invalid,,,,,[Mn+2],
,,,PHT:A:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:B:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:C:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:D:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:E:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PHT:F:1,valid,,,,,c1ccc(c(c1)C(=O)O)C(=O)O,
,,,PPC:A:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PPC:B:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PPC:C:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PPC:D:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PPC:E:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,,PPC:F:288,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(CP(=O)(O)O)O)O)O)OP(=O)(O)O,
,,1QPQ,,,,,,,
,,,NTM:A:2901,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:B:2902,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:C:2903,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:D:2904,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:E:2905,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,NTM:F:2906,valid,,,,,c1cc(c(nc1)C(=O)O)C(=O)O,
,,,SO4:A:2985,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2986,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2987,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2990,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:2989,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:2988,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.22.28,,,,,,,,,
,Family. Representative Entry is ,3SJK,,,,,,,
,,,LYS PRO VAL LEU ARG THR ALA:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)C(C)C)CC(C)C)CCCNC(=[NH2+])N)C(O)C)C,
,,3SJ9,,,,,,,
,,,PHE ALA GLY LEU ARG GLN ALA VAL THR GLN:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CN)CC(C)C)CCCNC(=[NH2+])N)CCC(=O)N)C)C(C)C)C(O)C)CCC(=O)N,
,Family. Representative Entry is ,2HAL,,,,,,,
,,,ACE LEU PHE PHE GLK CF0 GLU:I:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(O)C)CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1)C(NC(=O)C)CC(C)C.O=C([O-])CCC([NH3+])C=O,
,,,BBL:A:901,invalid,,,,,C[C@@H](C(=O)O)NC(=O)OCc1ccccc1,
,Family. Representative Entry is ,2XYA,,,,,,,
,,,7L4:A:1181,valid,Kd,=,200,uM,c1ccc(cc1)c2cc(c3ccccc3n2)O,
1.2.1.-,,,,,,,,,
,Family. Representative Entry is ,5EIN,,,,,,,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:A:409,invalid,,,,,C(=O)O,
,,,FMT:B:411,invalid,,,,,C(=O)O,
,,,FMT:A:411,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:A:412,invalid,,,,,C(=O)O,
,,,FMT:A:410,invalid,,,,,C(=O)O,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:A:413,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:B:410,invalid,,,,,C(=O)O,
,,,FMT:B:412,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:A:402,invalid,,,,,C(=O)O,
,,,FMT:B:409,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,UN1:C:102,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,5EIO,,,,,,,
,,,ACY:B:404,invalid,,,,,CC(=O)O,
,,,ACY:B:402,invalid,,,,,CC(=O)O,
,,,ACY:A:402,invalid,,,,,CC(=O)O,
,,,ACY:A:403,invalid,,,,,CC(=O)O,
,,,ACY:B:403,invalid,,,,,CC(=O)O,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5JY6,,,,,,,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,5JYE,,,,,,,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4QX6,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6GG7,,,,,,,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6GHR,,,,,,,
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAD:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6GHL,,,,,,,
,,,NAD:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MLI:C:1002,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,6GFQ,,,,,,,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,6GFO,,,,,,,
,,,NAD:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:C:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6GFP,,,,,,,
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,MLI:B:1003,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1003,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FMT:A:1004,invalid,,,,,C(=O)O,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6GFR,,,,,,,
,,,NAD:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,ACT:B:1003,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1002,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5LD5,,,,,,,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,7C5F,,,,,,,
,,,NAD:P:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:O:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:R:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:Q:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:O:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3EFV,,,,,,,
,,,NAD:A:463,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:463,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:463,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:463,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5MSO,,,,,,,
,,,NAP:A:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5MSU,,,,,,,
,,,NAP:B:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:1601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5MSD,,,,,,,
,,,BEZ:A:1202,valid,,,,,c1ccc(cc1)C(=O)O,
,,,AMP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5MSC,,,,,,,
,,,AMP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
2.6.1.15,,,,,,,,,
,Family. Representative Entry is ,1V2F,,,,,,,
,,,HCI:A:520,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,,HCI:B:1520,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,,PLP:A:510,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1510,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
4.1.99.12,,,,,,,,,
,Family. Representative Entry is ,4P6C,,,,,,,
,,,RES:B:500,valid,Ki,=,100,uM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:A:500,valid,Ki,=,100,uM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,4P6P,,,,,,,
,,,ZN:B:308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:305,invalid,,,,,[Zn+2],
,,,ZN:B:306,invalid,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:309,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,RES:A:301,valid,Ki,=,100,uM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,,RES:B:301,valid,Ki,=,100,uM,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,4P77,,,,,,,
,,,5RP:B:500,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:A:301,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,4P8E,,,,,,,
,,,ZN:B:306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:307,Part of Protein,,,,,[Zn+2],
,,,ZN:B:308,invalid,,,,,[Zn+2],
,,,ZN:B:305,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:309,invalid,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:314,invalid,,,,,C(CO)O,
,,,EDO:B:315,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,5RP:A:301,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:301,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
3.7.1.7,,,,,,,,,
,Family. Representative Entry is ,3WWC,,,,,,,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,BUA:A:402,valid,,,,,CCCC(=O)O,
,,,BUA:A:403,valid,,,,,CCCC(=O)O,
,,3WL7,,,,,,,
,,,P2D:A:901,valid,,,,,CC(=O)CC(=O)C,
,,,CIT:A:902,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,3WL8,,,,,,,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,OCA:A:402,valid,,,,,CCCCCCCC(=O)O,
,Family. Representative Entry is ,2J5S,,,,,,,
,,,KTA:A:1253,valid,,,,,C1C[C@@H](CC(=O)C1)CC(=O)O,
,,,KTA:B:1253,valid,,,,,C1C[C@@H](CC(=O)C1)CC(=O)O,
,,,NI:A:1254,invalid,,,,,[Ni+2],
,,,NI:B:1254,invalid,,,,,[Ni+2],
2.4.1.69,,,,,,,,,
,Family. Representative Entry is ,5KOR,,,,,,,
,,,CL:B:613,invalid,,,,,[Cl-],
,,,CL:C:617,invalid,,,,,[Cl-],
,,,CL:D:605,invalid,,,,,[Cl-],
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,GDP:D:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,BGC BGC BGC XYS BGC XYS XYS GAL GAL:E:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
,,,BGC BGC BGC XYS BGC XYS XYS GAL GAL:F:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)CO2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)CO1,
3.1.4.4,,,,,,,,,
,Family. Representative Entry is ,4RW3,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,TDA:A:313,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,PLM:A:311,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:309,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:310,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,IPD:A:304,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,DKA:A:312,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:308,valid,,,,,CCCCCCCCCC(=O)O,
,,,SHV:A:307,valid,,,,,CCCCCCC(=O)O,
,,,OCA:A:306,valid,,,,,CCCCCCCC(=O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4RW5,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,OCA:A:305,valid,,,,,CCCCCCCC(=O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,TDA:A:304,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,PLM:A:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6KZ8,,,,,,,
,,,PA8:B:902,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC,
,,,PA8:A:1101,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCC,
,,,CA:B:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:1102,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2ZE9,,,,,,,
,,,MES:A:510,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PD7:A:511,valid,,,,,CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCC,
2.3.3.9,,,,,,,,,
,Family. Representative Entry is ,3OYZ,,,,,,,
,,,ACO:A:434,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,K:A:601,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,PO4:A:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PYR:A:435,invalid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,3CV2,,,,,,,
,,,COA:A:1002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1001,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,OXL:A:1000,valid,Ki,=,37,uM,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:1000,valid,Ki,=,37,uM,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,6C6O,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ENG:A:803,valid,ic50,=,0.005,uM,c1cc(c(cc1O)Br)C(=O)C=C(C(=O)O)O,
,,6BU1,,,,,,,
,,,MG:A:804,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,E9S:A:805,valid,ic50,=,0.06,uM,c1cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O,
,,5C9W,,,,,,,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4Z3:A:804,valid,,,,,c1ccc(c(c1)NC(=O)C=NO)Br,
,,6C8P,,,,,,,
,,,EQA:A:804,valid,ic50,=,0.2,uM,c1ccc(c(c1)C(=O)C=C(C(=O)O)O)F,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,5DRC,,,,,,,
,,,MG:A:804,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,5ER:A:806,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)O,
,,,5ER:A:805,valid,,,,,c1ccc2c(c1)c(c[nH]2)C(=O)/C=C(/C(=O)O)O,
,,5DX7,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,5H6:A:802,valid,,,,,c1cc(sc1c2cc(no2)C(=O)O)Cl,
,,5ECV,,,,,,,
,,,5M2:A:802,valid,,,,,Cc1c2cc[nH]c2ccc1C(=O)/C=C(/C(=O)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5CBB,,,,,,,
,,,4ZF:A:802,valid,,,,,c1ccc2c(c1)/C(=C3/C=C(NN3)C(=O)O)/C=N2,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5C7V,,,,,,,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,PYC:A:804,valid,,,,,c1cc([nH]c1)C(=O)[O-],
,,2GQ3,,,,,,,
,,,COA:A:800,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EPE:A:5000,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:6000,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1003,Part of Protein,,,,,[Mg+2],
,,,MLT:A:900,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:901,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,5E9X,,,,,,,
,,,5LA:A:804,valid,,,,,c1c2cc(sc2[nH]c1C(=O)O)Cl,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5C9U,,,,,,,
,,,4Z1:A:803,valid,,,,,c1cc(c(cc1Cl)Cl)NNC(=O)C(=O)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,6BA7,,,,,,,
,,,D1Y:A:802,valid,ic50,=,0.007,uM,c1cc(c(cc1O)Cl)C(=O)C=C(C(=O)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,5CBI,,,,,,,
,,,4ZC:A:804,valid,,,,,c1cc(c(cc1Cl)C#N)O,
,,,4ZC:A:803,valid,,,,,c1cc(c(cc1Cl)C#N)O,
,,,4ZC:A:805,valid,,,,,c1cc(c(cc1Cl)C#N)O,
,,,4ZC:A:802,valid,,,,,c1cc(c(cc1Cl)C#N)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,1N8I,,,,,,,
,,,GLV:A:901,valid,,,,,C(=O)C(=O)O,
,,,MG:A:900,Part of Protein,,,,,[Mg+2],
,,5C9R,,,,,,,
,,,4YZ:A:802,valid,,,,,c1cc(ccc1SCCC(=O)O)Cl,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5CBJ,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4ZD:A:802,valid,,,,,c1ccc(cc1)SC=CC(=O)O,
,,5CAH,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4ZA:A:803,valid,,,,,c1csc2c1cc([nH]2)C(=O)O,
,,5C9X,,,,,,,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4Z4:A:804,valid,,,,,c1c(c(cc(c1F)Cl)Cl)C(=O)O,
,,6AS6,,,,,,,
,,,BSV:A:802,valid,ic50,=,15.2,uM,Cc1ccc(cc1C(=O)/C=C(/C(=O)O)O)C2CC2,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,5CJN,,,,,,,
,,,MG:A:806,invalid,,,,,[Mg+2],
,,,MG:A:807,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:808,Part of Protein,,,,,[Mg+2],
,,,MG:A:805,invalid,,,,,[Mg+2],
,,,MG:A:804,invalid,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,52F:A:809,valid,,,,,c1ccc2c(c1)NC(=O)C(=N2)CCC(=O)O,
,,6DNP,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,GZV:A:803,valid,ic50,=,6.6,uM,Cc1ccc(c(c1F)C(=O)C=C(C(=O)O)O)F,
,,,TRS:A:804,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5CCZ,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,50C:A:801,valid,,,,,Cc1c(n[nH]c1N)c2ccc(cc2)F,
,,6DKO,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,GXG:A:804,valid,ic50,=,1.6,uM,c1cc(c(c(c1)F)C(=O)CC(=O)C(=O)O)F,
,,6APZ,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,PEG:A:807,invalid,,,,,C(COCCO)O,
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,,PEG:A:806,invalid,,,,,C(COCCO)O,
,,,NI:A:803,Part of Protein,,,,,[Ni+2],
,,,BQ4:A:802,valid,ic50,=,0.15,uM,c1cc(cc(c1)O)C(=O)/C=C(/C(=O)O)O,
,,6AXB,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:806,Part of Protein,,,,,[Mg+2],
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,C0V:A:802,valid,ic50,=,0.5,uM,c1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)O,
,,6C7B,,,,,,,
,,,ENY:A:801,valid,ic50,=,1.5,uM,COc1ccc2cc(ccc2c1)C(=O)/C=C(/C(=O)O)O,
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,5CEW,,,,,,,
,,,6MW:A:802,valid,,,,,c1cnccc1[C@H]2N[C@H](CS2)C(=O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,5CAK,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4Z9:A:802,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)O,
,,6ASU,,,,,,,
,,,BVS:A:802,valid,ic50,=,6.1,uM,Cc1ccc(cc1)C(=O)/C=C(/C(=O)O)O,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,NI:A:803,Part of Protein,,,,,[Ni+2],
,,6AU9,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,PEG:A:804,invalid,,,,,C(COCCO)O,
,,,PEG:A:805,invalid,,,,,C(COCCO)O,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,BXS:A:802,valid,ic50,=,1.1,uM,c1cc2c(cc1C(=O)/C=C(/C(=O)O)O)OCCO2,
,,5CJM,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,4WL:A:803,valid,,,,,c1csc2c1[nH]c(c2)C(=O)O,
,,6DL9,,,,,,,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,GXD:A:804,valid,ic50,=,1,uM,c1cc(c(c(c1)Cl)C(=O)CC(=O)C(=O)O)Cl,
,,5T8G,,,,,,,
,,,4Z0:A:804,valid,,,,,c1cc(sc1)C(=O)OC=CC(=O)C(=O)O,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1P7T,,,,,,,
,,,ACO:A:800,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:900,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1001,invalid,,,,,C(COCCO)O,
,,,PG4:B:1002,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1003,invalid,,,,,C(COCCOCCOCCO)O,
,,,PYR:A:810,valid,Ki,=,1,mM,CC(=O)C(=O)O,
,,,PYR:B:910,valid,Ki,=,1,mM,CC(=O)C(=O)O,
1.8.1.5,,,,,,,,,
,Family. Representative Entry is ,1MO9,,,,,,,
,,,FAD:A:1013,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1014,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,KPC:A:1015,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,KPC:B:1016,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,3Q6J,,,,,,,
,,,ACN:B:1040,invalid,,,,,CC(=O)C,
,,,BCT:A:524,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:524,invalid,,,,,C(=O)(O)[O-],
,,,CO2:A:1090,invalid,,,,,C(=O)=O,
,,,COM:B:525,valid,,,,,C(CS(=O)(=O)O)S,
,,,FAD:A:1013,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1014,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,KPC:A:526,valid,,,,,CC(=O)CSCCS(=O)(=O)O,
,,,MG:A:527,Part of Protein,,,,,[Mg+2],
,,,MG:B:527,Part of Protein,,,,,[Mg+2],
,,,NAP:A:1526,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1526,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2C3C,,,,,,,
,,,ACN:A:1525,invalid,,,,,CC(=O)C,
,,,ACN:B:1525,invalid,,,,,CC(=O)C,
,,,COM:A:1000,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:B:1000,valid,,,,,C(CS(=O)(=O)O)S,
,,,FAD:A:1524,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1524,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:1526,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1526,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2C3D,,,,,,,
,,,COM:A:1525,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:A:1526,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:B:1525,valid,,,,,C(CS(=O)(=O)O)S,
,,,COM:B:1526,valid,,,,,C(CS(=O)(=O)O)S,
,,,FAD:A:1524,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1524,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.3.1.48,,,,,,,,,
,Family. Representative Entry is ,4DK7,,,,,,,
,,,0KS:A:501,valid,ic50,=,0.02,uM,CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2,
,,,0KS:C:501,valid,ic50,=,0.02,uM,CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3FEI,,,,,,,
,,,CTM:A:1,valid,ic50,=,0.02,uM,CCO[C@@H](Cc1ccc(cc1C)OCc2csc(n2)c3ccc(cc3)Cl)C(=O)O,
,,3G8I,,,,,,,
,,,RO7:A:1,valid,ic50,=,0.038,uM,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC,
,Family. Representative Entry is ,5E7V,,,,,,,
,,,M7E:A:501,valid,ic50,=,2.9,nM,B1234B567B189B212B33%10B454B656B787B911[C+]232B4%105[C+2]7612CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/1C[C@H](C[C@@H](C1=C)O)O)C,
,,4G1Z,,,,,,,
,,,0VP:A:501,valid,,,,,CCCc1cc(ccc1c2cc(ccc2CC)OCc3ccc(c(c3)CO)CO)C(CC)(CC)O,
,,4RUJ,,,,,,,
,,,VDX:A:501,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,5NKY,,,,,,,
,,,91W:A:500,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C)[C@H]4CC[C@H](O4)C(C)(C)O,
,,6FOD,,,,,,,
,,,E05:A:4000,valid,ic50,=,7.11,nM,CC/C(=CC=C/1C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O,
,,6FO8,,,,,,,
,,,DZT:1:500,valid,ic50,=,18.4,nM,CCCCCC/C(=CC=C/1C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C)(C)O,
,,5OW9,,,,,,,
,,,AYT:A:4000,valid,,,,,CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](CCC3=C)O)C)O,
,,5OW7,,,,,,,
,,,AYK:A:4000,valid,,,,,CC(C)NC(=O)C[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](CCC3=C)O)C)O,
,,5OWD,,,,,,,
,,,B0B:A:4000,valid,,,,,CC(=CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](CCC3=C)O)C)O)C,
,,2HC4,,,,,,,
,,,VDX:A:525,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CCC/C2=CC=C/3C[C@H](C[C@@H](C3=C)O)O)C,
,,4G2H,,,,,,,
,,,0VQ:A:501,valid,,,,,CC/C(=CC=CC(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO,
,Family. Representative Entry is ,4UDB,,,,,,,
,,,CV7:A:1987,valid,Ki,=,0.18,nM,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O,
,,,DMS:A:1984,invalid,,,,,CS(=O)C,
,,,GOL:A:1985,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1986,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UDA,,,,,,,
,,,DEX:A:1985,valid,Ki,=,6.3,nM,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,GOL:A:1984,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5HCV,,,,,,,
,,,60R:B:1001,valid,Ki,=,2,nM,c1ccc2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F,
,,,60R:A:1001,valid,Ki,=,2,nM,c1ccc2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F,
,,,60R:C:1001,valid,Ki,=,2,nM,c1ccc2c(c1)COc3cc(ccc3/C2=C/c4ccc5c(c4)NC(=O)CO5)F,
,,,CL:B:1002,invalid,,,,,[Cl-],
,,3VHU,,,,,,,
,,,SNL:A:1001,valid,ic50,=,49,nM,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,2AA5,,,,,,,
,,,STR:A:301,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:302,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,3VHV,,,,,,,
,,,EDO:A:985,invalid,,,,,C(CO)O,
,,,EDO:A:986,invalid,,,,,C(CO)O,
,,,K:A:3,Part of Protein,,,,,[K+],
,,,LD1:A:1,valid,ic50,=,510,nM,c1ccc(cc1)[C@H]2C(=Nn3cnnc3S2)c4ccc5c(c4)NC(=O)CO5,
,,,LD2:A:2,invalid,,,,,c1ccc(cc1)C/C(=Nn2cnnc2S)/c3ccc4c(c3)NC(=O)CO4,
,,1YA3,,,,,,,
,,,STR:A:1001,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:2001,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:C:3001,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,2AAX,,,,,,,
,,,PDN:A:502,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,,PDN:B:503,valid,,,,,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AA7,,,,,,,
,,,1CA:A:201,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PF3,,,,,,,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,HFN:A:1001,valid,ic50,=,51,nM,Cc1c(c(n(n1)CC(CO)(F)F)c2ccc(cc2)F)c3ccc4c(c3)NC(=O)CO4,
,,2AB2,,,,,,,
,,,SNL:A:502,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:B:503,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2AA2,,,,,,,
,,,AS4:A:201,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O,
,,,BOG:A:985,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OAX,,,,,,,
,,,SNL:A:1001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:B:2001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:C:3001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:D:4001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:E:5001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,,SNL:F:6001,valid,,,,,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C,
,,1Y9R,,,,,,,
,,,1CA:A:2001,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,,1CA:B:3001,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C,
,,2AA6,,,,,,,
,,,STR:A:401,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,,STR:B:402,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,Family. Representative Entry is ,6V90,,,,,,,
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QSD:A:1701,valid,ic50,=,0.0088,uM,Cn1cc(cn1)c2ccc(nc2)NC(=O)[C@@H](c3ccccc3)NCCc4ccc(cc4)C#N,
,,,CL:A:1704,invalid,,,,,[Cl-],
,,6PGU,,,,,,,
,,,OK7:B:1702,valid,ic50,=,20,uM,CC(=O)Nc1cccs1,
,,,OK7:A:1702,valid,ic50,=,20,uM,CC(=O)Nc1cccs1,
,,,COA:B:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6PF1,,,,,,,
,,,OJ7:A:1702,valid,ic50,=,39,uM,Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl,
,,,OJ7:B:1702,valid,ic50,=,39,uM,Cc1c(c2ccccc2[nH]1)c3c(cc(cn3)C(F)(F)F)Cl,
,,,COA:B:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6V8N,,,,,,,
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1703,invalid,,,,,[Cl-],
,,,QS1:A:1704,valid,,,,,C[C@H](CN[C@H](c1ccccc1)C(=O)Nc2ccc(cn2)c3cnn(c3)C)c4ccc(cc4)C#N,
,,3BIY,,,,,,,
,,,01K:A:700,valid,,,,,CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N,
,,,BR:A:1521,invalid,,,,,[Br-],
,,,BR:A:1522,invalid,,,,,[Br-],
,,,BR:A:1523,invalid,,,,,[Br-],
,,,BR:A:1524,invalid,,,,,[Br-],
,,,BR:A:1525,invalid,,,,,[Br-],
,,6V8K,,,,,,,
,,,QS4:A:1702,valid,,,,,Cc1c(c2ccccc2[nH]1)C(=O)CN3CCCC[C@H]3C,
,,,COA:A:1701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DMS:A:1703,invalid,,,,,CS(=O)C,
,,4PZR,,,,,,,
,,,PEG:A:1701,invalid,,,,,C(COCCO)O,
,,,PEG:A:1702,invalid,,,,,C(COCCO)O,
,,,DMS:A:1703,invalid,,,,,CS(=O)C,
,,,COA:A:1704,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4PZS,,,,,,,
,,,ACO:A:1701,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DMS:A:1702,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,3IPQ,,,,,,,
,,,965:A:801,valid,Ki,=,27,nM,c1ccc(cc1)C(C[N@](CCCOc2cccc(c2)CC(=O)O)Cc3cccc(c3Cl)C(F)(F)F)c4ccccc4,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HJS,,,,,,,
,,,668:A:301,valid,,,,,CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O,
,,,668:B:301,valid,,,,,CC(C)[C@@](C(=O)N1CCC(CC1)C2CCN(CC2)c3ccc(c(c3)Cl)C(=O)N(C)C)(C(F)(F)F)O,
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IPU,,,,,,,
,,,O40:A:801,valid,Ki,=,48,nM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O,
,,,O40:B:801,valid,Ki,=,48,nM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCN(C)C(=O)Nc3ccc(cc3)C(=O)O,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IPS,,,,,,,
,,,O90:A:1,valid,Ki,=,64,nM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O,
,,,O90:B:1,valid,Ki,=,64,nM,CCCc1c(ccc2c1onc2C(F)(F)F)OCCCSc3ccc(cc3Cl)CC(=O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5FDZ,,,,,,,
,,,5X0:A:901,valid,Kd,=,6.8,uM,CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3,
,,,5X0:B:903,valid,Kd,=,6.8,uM,CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,5FE0,,,,,,,
,,,ALY:A:901,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)N,
,,,ALY:B:901,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)N,
,,5LVR,,,,,,,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,78Y:A:904,valid,Kd,=,250,uM,Cc1c(nn(n1)c2ccccc2)C(=O)N,
,,,DMS:B:904,invalid,,,,,CS(=O)C,
,,5FE1,,,,,,,
,,,12Q:B:901,valid,,,,,CN1c2ccccc2C=CC1=O,
,,,12Q:A:901,valid,,,,,CN1c2ccccc2C=CC1=O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,5FE6,,,,,,,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,5WZ:A:909,valid,Kd,=,6910,uM,C1CC1C(=O)N2CCC(CC2)N,
,,,DMS:B:903,invalid,,,,,CS(=O)C,
,,5FE2,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,5WV:A:901,valid,,,,,CN1Cc2ccccc2C1=O,
,,,5WV:B:901,valid,,,,,CN1Cc2ccccc2C1=O,
,,5FE7,,,,,,,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,5WU:A:902,valid,Kd,=,488,uM,Cc1c2c(n(n1)CCO)CCCC2=O,
,,,DMS:B:903,invalid,,,,,CS(=O)C,
,,5FE8,,,,,,,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,5WT:A:901,valid,,,,,CC1=CC(=O)N(c2c1ccc(c2)NC(=O)C)C,
,,,DMS:B:905,invalid,,,,,CS(=O)C,
,,5FE4,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,5WY:A:903,valid,,,,,c1cc(c2c(c1)OCCO2)C(=O)N,
,,,5WY:B:904,valid,,,,,c1cc(c2c(c1)OCCO2)C(=O)N,
,,5FE9,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,5WS:B:901,valid,Kd,=,20.98,uM,CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C,
,,,5WS:A:901,valid,Kd,=,20.98,uM,CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C,
,,5FE5,,,,,,,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,DMS:A:906,invalid,,,,,CS(=O)C,
,,,2QC:B:906,valid,,,,,c1cc(ccc1CN)c2csnn2,
,,5MKX,,,,,,,
,,,82I:A:901,valid,ic50,=,20,uM,CNC1=C(C(=O)N(N=C1)C)Cl,
,,,82I:B:901,valid,ic50,=,20,uM,CNC1=C(C(=O)N(N=C1)C)Cl,
,,,BU1:B:902,invalid,,,,,C(CCO)CO,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:A:903,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5LVQ,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,DMS:B:903,invalid,,,,,CS(=O)C,
,,,2LX:A:904,valid,Kd,=,73,uM,CNC(=O)c1ccccc1OC2CCOCC2,
,,5FE3,,,,,,,
,,,5WX:B:904,valid,,,,,COc1cccc2c1c(no2)N,
,,,5WX:A:904,valid,,,,,COc1cccc2c1c(no2)N,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5NTP,,,,,,,
,,,98E:A:501,valid,ic50,=,0.7,nM,Cc1c(cc(cc1NC(=O)c2cnc(nc2)C)Cl)CN3CCN([C@H](C3)C)C(=O)C4CCCC4,
,,6VQF,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,R7V:A:601,valid,,,,,C[C@H]1C[C@@H](CC[C@H]1C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc5)F)C(=O)O,
,,6XAE,,,,,,,
,,,Z7F:A:4000,valid,,,,,c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6)F)F,
,,6W9I,,,,,,,
,,,Z7D:A:4000,valid,,,,,c1ccc(cc1)COc2ccc(cc2)C3(CCCC3)S(=O)(=O)c4ccc(cc4)F,
,,7JH2,,,,,,,
,,,VBG:A:501,valid,,,,,CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F,
,,,VBG:B:501,valid,,,,,CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)OCc4c(cccc4F)C#N)S(=O)(=O)c5ccc(cc5)F,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NWT,,,,,,,
,,,L7P:A:601,valid,,,,,c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O,
,,,L7P:C:601,valid,,,,,c1cc(ccc1CN2CCN(CC2)Cc3ccncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O,
,,4YMQ,,,,,,,
,,,ZBD:A:603,valid,Kd,=,1.6,uM,C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,4WLB,,,,,,,
,,,TLA:A:602,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:603,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,3QQ:A:601,valid,ic50,=,0.18,uM,CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C,
,,,3QQ:B:601,valid,ic50,=,0.18,uM,CC(C)CN(Cc1ccc(cc1)F)S(=O)(=O)c2ccc(nc2)NC3CCN(CC3)S(=O)(=O)C,
,,,SER LEU LEU LYS LYS LEU LEU ASP:D:8,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(C)C)CCCC[NH3+])CCCC[NH3+])CC(C)C)CC(C)C)C([NH3+])CO,
,,,SER LEU LEU LYS LYS LEU LEU ASP:E:8,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])CC(C)C)CC(C)C)CCCC[NH3+])CCCC[NH3+])CC(C)C)CC(C)C)C([NH3+])CO,
,,5NTQ,,,,,,,
,,,444:A:501,valid,ic50,=,33.8,nM,c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,,444:B:501,valid,ic50,=,33.8,nM,c1ccc(cc1)S(=O)(=O)[N@@](CC(F)(F)F)c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O,
,,4QM0,,,,,,,
,,,39K:C:601,valid,,,,,CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3,
,,,39K:A:601,valid,,,,,CC(C)CN(Cc1ccc(s1)c2ccc(cc2)S(=O)(=O)C)S(=O)(=O)Cc3ccccc3,
,,,DMS:C:602,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,5IXK,,,,,,,
,,,6EW:A:501,valid,ic50,=,4.7,nM,CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C,
,,,6EW:B:501,valid,ic50,=,4.7,nM,CCN1c2ccc(cc2OCC(C1=O)(C)C)N(CC(F)(F)F)S(=O)(=O)c3ccc(c(c3)C)C,
,,6SAL,,,,,,,
,,,L3E:A:601,valid,ic50,=,0.264,uM,c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N/c4ccc(cc4)C(=O)O)C(F)(F)F,
,,5G42,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP SER:C:688,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,NA:A:1511,Part of Protein,,,,,[Na+],
,,,4TU:A:1510,valid,,,,,c1cc2c(cc1Cl)CCN2C(=O)N,
,,5VB7,,,,,,,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,921:A:602,valid,Kd,=,0.19,uM,CC(=CCN(c1cccc(c1)Oc2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C,
,,6J1L,,,,,,,
,,,B6L:B:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O,
,,,B6L:C:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O,
,,,B6L:A:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2ccc(cc2)c3ccc(cc3F)C(C(F)(F)F)(C(F)(F)F)O,
,,4ZJW,,,,,,,
,,,4P1:A:501,valid,ic50,=,0.1,uM,CNC(=O)c1ccc(c(c1)c2ccc3c(c2)CCCN3C(=O)c4c(cccc4Cl)F)Cl,
,,6O3Z,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,LKY:A:601,valid,,,,,Cc1c(cc(cc1NC(=O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=O)C4CCCC4,
,,5G45,,,,,,,
,,,A7W:A:1509,valid,Kd,=,500,uM,c1cc2cc(cnc2c(c1)N)O,
,,,DMS:A:1511,invalid,,,,,CS(=O)C,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP SER:C:688,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,NA:A:1510,Part of Protein,,,,,[Na+],
,,5LWP,,,,,,,
,,,79U:A:601,valid,ic50,=,120,nM,CN(C)C(=O)c1ccc2c(c1)c(nn2c3ccc(cc3)C(=O)O)Oc4c(cccc4Cl)C(F)(F)F,
,,6FGQ,,,,,,,
,,,D9N:B:601,valid,ic50,=,0.014,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC,
,,,D9N:A:601,valid,ic50,=,0.014,uM,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2cc(cs2)c3cccnc3OCc4ccc(cc4)C(=O)OC,
,,5NTK,,,,,,,
,,,99N:A:501,valid,ic50,=,9.7,nM,C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C,
,,,99N:B:501,valid,ic50,=,9.7,nM,C[C@H](CCC(=O)NCc1ccc(cc1)OCCN2CCOCC2)[C@H]3CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OS(=O)(=O)O)C)C,
,,5M96,,,,,,,
,,,Q6Y:A:502,valid,,,,,Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C,
,,,Q6Y:A:501,valid,,,,,Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C,
,,,Q6Y:B:501,valid,,,,,Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C,
,,,Q6Y:B:502,valid,,,,,Cc1c(cn2ccnc2c1CN3CCN([C@H](C3)C)C(=O)C4CCCC4)NC(=O)c5cnc(nc5)C,
,,5C4S,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,4Y5:A:601,valid,ic50,=,3.8,nM,c1cc(c(c(c1)Cl)C(=O)n2c3cccc(c3c(n2)c4ccc(cc4F)C(=O)O)F)C(F)(F)F,
,,6XFV,,,,,,,
,,,V27:B:500,valid,,,,,CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O,
,,,V27:A:500,valid,,,,,CC(=O)N1CCC(CC1)C(=O)N2C[C@H]([C@@](C2)(C)c3ccccc3)c4ccc(cc4)C(C(F)(F)F)(C(F)(F)F)O,
,,6Q7H,,,,,,,
,,,HL8:A:501,valid,ic50,=,21,nM,Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F,
,,,HL8:A:502,valid,ic50,=,21,nM,Cc1c(nc(n1c2c(ccc(c2Cl)N3CC(C3)C(=O)O)Cl)c4ccc(o4)Cl)C(F)(F)F,
,,6Q2W,,,,,,,
,,,HBW:B:1001,valid,,,,,CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl,
,,,HBW:A:1001,valid,,,,,CNC(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl,
,,5VB6,,,,,,,
,,,927:A:602,valid,Kd,=,0.43,uM,CC(=CCN(c1cccc(c1)NC(=O)c2ccccc2)C(=O)N(C)C3CCC(CC3)c4ccncc4)C,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,5G46,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP SER:C:688,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,,NA:A:1511,Part of Protein,,,,,[Na+],
,,,6VD:A:1510,valid,Kd,=,2.5,mM,CCc1cc(c2ccccc2n1)O,
,,6BN6,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XGH:B:601,valid,,,,,CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O,
,,,XGH:A:601,valid,,,,,CC(C)(CNC(=O)C[C@H]1CN(c2ccc(cc2S1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(cc3)F)O,
,,5VB5,,,,,,,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,92A:A:602,valid,Kd,=,0.35,uM,CC1CCN(CC1)C(=O)[C@@H](Cc2ccc(cc2)NC(=O)CCc3ccc(cc3)Cl)NC(=O)CCC(C)C,
,,4ZOM,,,,,,,
,,,4Q3:A:501,valid,ic50,=,3,nM,CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F,
,,,4Q3:C:501,valid,ic50,=,3,nM,CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F,
,,,4Q3:B:501,valid,ic50,=,3,nM,CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F,
,,,4Q3:D:501,valid,ic50,=,3,nM,CC(C)n1c(cc(n1)NC(=O)C)c2ccc(c(c2)N3C[C@H]4C[C@H]4C3)N(C)C(=O)c5c(cccc5Cl)F,
,,5X8S,,,,,,,
,,,6Q5:A:9000,valid,,,,,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,
,,,6Q5:B:9000,valid,,,,,C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O,
,,6Q6M,,,,,,,
,,,HJW:A:501,valid,ic50,=,128,nM,CCOC(=O)[C@H](C)N(c1c(cccc1Cl)C)C(=O)c2cccs2,
,,7JTM,,,,,,,
,,,VK7:A:4000,valid,,,,,c1cc(ccc1F)S(=O)(=O)[C@@]23CCN([C@@H]2CCc4c3cc(c(c4)C(C(F)(F)F)(C(F)(F)F)F)C#N)C(=O)C5CCC(CC5)C(=O)O,
,,6CN6,,,,,,,
,,,F7J:A:4000,valid,ic50,=,5,nM,Cc1c(ccc2c1c(cn2C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5)C#N,
,,6W9H,,,,,,,
,,,TKJ:A:4000,valid,,,,,c1ccc(cc1)COc2ccc(cc2)[C@@]3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F,
,,4XT9,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN:B:688,invalid,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,43V:A:601,valid,,,,,CCS(=O)(=O)c1ccc(cc1)CC(=O)Nc2nc(c(s2)c3ccccc3)c4cc(ccc4Cl)Cl,
,,5C4T,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4Y6:A:601,valid,ic50,=,21.8,nM,C[C@@]1(CCC(=CC1)c2c3c(cccc3F)n(n2)C(=O)c4c(cccc4Cl)C(F)(F)F)C(=O)O,
,,6Q7A,,,,,,,
,,,HKZ:A:501,valid,ic50,=,29,nM,Cc1c(nc(n1c2c(cccc2Cl)Cl)c3ccco3)Cc4ccccc4,
,,6CN5,,,,,,,
,,,F7M:A:601,valid,Ki,=,0.02,uM,Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5,
,,,F7M:B:601,valid,Ki,=,0.02,uM,Cn1cc(c2c1ccc(c2)NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CCCCC5,
,,3B0W,,,,,,,
,,,DGX:A:1,valid,,,,,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,
,,,DGX:B:1,valid,,,,,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,
,,6O98,,,,,,,
,,,L8A:A:601,valid,,,,,CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F,
,,,L8A:B:601,valid,,,,,CC(=O)N1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F,
,,6NWS,,,,,,,
,,,L77:A:601,valid,,,,,c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F,
,,5UFR,,,,,,,
,,,88J:A:601,valid,Kd,=,0.002,uM,Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O,
,,,88J:B:601,valid,Kd,=,0.002,uM,Cn1cncc1[C@@](c2ccncc2)(c3ccc4c(c3)c(c(c(n4)N(C)C)c5ccccc5)Cl)O,
,,5C4U,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,4Y7:A:601,valid,ic50,=,1.9,nM,c1cc(c(c(c1)Cl)C(=O)n2c3cccnc3c(n2)c4cc(c(cc4F)C(=O)O)O)C(F)(F)F,
,,3L0J,,,,,,,
,,,HC9:A:1,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O,
,,,LYS ILE LEU HIS ARG LEU LEU GLN ASP SER:C:688,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CCC(=O)N)CC(C)C)CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C,
,,6TLM,,,,,,,
,,,MJE:A:601,valid,ic50,=,425,nM,Cc1cc2c(s1)c(nn2C(=O)c3c(cccc3Cl)Cl)c4ccc(cc4)C(=O)O,
,,6E3G,,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN:D:1,invalid,,,,,,
,,,LYS ILE LEU HIS ARG LEU LEU GLN:C:1,invalid,,,,,,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,HOJ:B:602,valid,ic50,=,44,nM,CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC,
,,,HOJ:A:602,valid,ic50,=,44,nM,CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC,
,Family. Representative Entry is ,1K7L,,,,,,,
,,,544:A:469,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=CC(=O)c4ccccc4)/C,
,,,544:C:470,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=CC(=O)c4ccccc4)/C,
,,,544:E:501,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=CC(=O)c4ccccc4)/C,
,,,544:G:601,valid,,,,,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(cc3)C[C@@H](C(=O)O)N/C(=CC(=O)c4ccccc4)/C,
,,,YT3:C:469,invalid,,,,,[Y+3],
,,,YT3:E:469,invalid,,,,,[Y+3],
,Family. Representative Entry is ,3KDU,,,,,,,
,,,NKS:A:501,valid,ic50,=,347,nM,Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O,
,,,NKS:B:501,valid,ic50,=,347,nM,Cc1ccc(cc1)OC(=O)N(Cc2cccc(c2)OCc3c(oc(n3)c4ccc(cc4)Cl)C)CC(=O)O,
,,6LX5,,,,,,,
,,,C5F:A:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl,
,,,C5F:B:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl,
,,,C5F:B:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl,
,,,C5F:A:503,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)[C@@H]2CC2(Cl)Cl,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,4BCR,,,,,,,
,,,WY1:A:1469,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:B:1470,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:A:1468,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:B:1468,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,EDO:A:1467,invalid,,,,,C(CO)O,
,,,EDO:B:1469,invalid,,,,,C(CO)O,
,,6LX8,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,OLA:A:502,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,6KB4,,,,,,,
,,,P7F:A:502,valid,,,,,CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6LX6,,,,,,,
,,,PLM:A:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6KB0,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,ITY:A:502,valid,,,,,CCCCCC#CCC#CCC#CCC#CCCCC(=O)O,
,,6LXC,,,,,,,
,,,EWR:A:501,valid,,,,,CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O,
,,6LXA,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,EPA:A:502,valid,,,,,CCC=C/CC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,6KB2,,,,,,,
,,,WY1:A:502,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:A:501,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,6KAZ,,,,,,,
,,,P7F:A:502,valid,,,,,CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6KBA,,,,,,,
,,,WY1:A:502,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:A:501,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,1I7G,,,,,,,
,,,AZ2:A:469,valid,ic50,=,1,uM,CCO[C@@H](Cc1ccc(cc1)OCCc2ccc(cc2)OS(=O)(=O)C)C(=O)O,
,,,CPQ:A:470,invalid,,,,,C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NA:A:102,Part of Protein,,,,,[Na+],
,,6KB5,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,ITY:A:502,valid,,,,,CCCCCC#CCC#CCC#CCC#CCCCC(=O)O,
,,6KB1,,,,,,,
,,,T4T:A:502,valid,,,,,CCCCCCCCCCCCCCSCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6LX4,,,,,,,
,,,F5A:B:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:B:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,,F5A:A:502,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl,
,,6KB8,,,,,,,
,,,2VN:A:502,valid,,,,,CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6KAX,,,,,,,
,,,PLM:A:502,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6LXB,,,,,,,
,,,EWR:A:501,valid,,,,,CCO[C@@H](Cc1ccc(cc1)OCCn2c(ccc2c3ccc(cc3)SC)C)C(=O)O,
,,3VI8,,,,,,,
,,,13M:A:1,valid,,,,,CC[C@@H](Cc1ccc(c(c1)CNC(=O)c2ccc3ccc4cccc5c4c3c2cc5)OC)C(=O)O,
,,6KB7,,,,,,,
,,,WY1:A:502,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,,WY1:A:501,valid,,,,,Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl,
,,6KB3,,,,,,,
,,,2VN:A:502,valid,,,,,CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6LX7,,,,,,,
,,,STE:A:502,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6KAY,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,2VN:A:501,valid,,,,,CC(C)(C(=O)O)Sc1ccc(cc1)CCN(CCCCC2CCCCC2)C(=O)NC3CCCCC3,
,,6KB6,,,,,,,
,,,T4T:A:502,valid,,,,,CCCCCCCCCCCCCCSCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,2ZNN,,,,,,,
,,,S44:A:901,valid,,,,,CCCOc1ccc(cc1CNC(=O)c2ccc(cc2)C34CC5CC(C3)CC(C5)C4)C[C@H](CC)C(=O)O,
,,6LX9,,,,,,,
,,,ACD:A:502,valid,,,,,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,5HYK,,,,,,,
,,,65W:A:501,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)c2cccc3c2cccc3,
,,6KB9,,,,,,,
,,,P7F:A:502,valid,,,,,CC[C@H](C(=O)O)Oc1cccc(c1)CN(CCCOc2ccc(cc2)OC)c3nc4ccccc4o3,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1XIU,,,,,,,
,,,9CR:A:201,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9CR:B:202,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,Family. Representative Entry is ,5I8G,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1402,Part of Protein,,,,,[Zn+2],
,,,B3P:A:1405,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,NA:A:1411,invalid,,,,,[Na+],
,,,EDO:A:1406,invalid,,,,,C(CO)O,
,,,EDO:A:1410,invalid,,,,,C(CO)O,
,,,EDO:A:1407,invalid,,,,,C(CO)O,
,,,EDO:A:1409,invalid,,,,,C(CO)O,
,,,EDO:A:1408,invalid,,,,,C(CO)O,
,,,PEG:A:1413,invalid,,,,,C(COCCO)O,
,,,PEG:A:1412,invalid,,,,,C(COCCO)O,
,,,69E:A:1404,valid,Kd,=,0.03,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)c5cnn(c5)C,
,,5I8B,,,,,,,
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1402,Part of Protein,,,,,[Zn+2],
,,,B3P:A:1405,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,NA:A:1411,Part of Protein,,,,,[Na+],
,,,EDO:A:1406,invalid,,,,,C(CO)O,
,,,EDO:A:1410,invalid,,,,,C(CO)O,
,,,EDO:A:1407,invalid,,,,,C(CO)O,
,,,EDO:A:1409,invalid,,,,,C(CO)O,
,,,EDO:A:1408,invalid,,,,,C(CO)O,
,,,69F:A:1404,valid,ic50,=,0.11,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cccc(c3)OCc4ccccc4,
,,,PEG:A:1412,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4X1F,,,,,,,
,,,3WF:A:501,valid,Kd,=,10.8,nM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6DUP,,,,,,,
,,,HCJ:A:501,valid,,,,,c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3CN4C=CC(=O)N=C4O3,
,,6P2B,,,,,,,
,,,NQD:A:501,valid,,,,,Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(C)/CC/C=C(C)/CC/C=C(/C)C(=O)O)O,
,,,NQD:B:501,valid,,,,,Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(C)/CC/C=C(C)/CC/C=C(/C)C(=O)O)O,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,4XHD,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,40U:A:502,valid,,,,,CC(C)[C@H](C(=O)N1CC[C@@](C(C1)(C)C)(c2ccc(cc2)Cl)O)NC(=O)CC3CC3,
,,6XP9,,,,,,,
,,,QCG:B:502,valid,,,,,Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,QCG:A:501,valid,,,,,Cc1c(cc(c2c1CCCO2)F)c3c(c(nc4n3nc(c4)c5ccccc5)C)[C@@H](C(=O)O)OC(C)(C)C,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,3HVL,,,,,,,
,,,SRL:A:1,valid,,,,,CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC,
,,,SRL:B:2,valid,,,,,CCOP(=O)(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCC,
,,1M13,,,,,,,
,,,HYF:A:435,valid,Kd,=,27,nM,CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O,
,,6HTY,,,,,,,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:B:502,invalid,,,,,CS(=O)C,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GRH:B:501,valid,ic50,=,1242,nM,C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)Oc3cccc(c3)Cl,
,,4X1G,,,,,,,
,,,3WF:A:501,valid,Kd,=,11.5,uM,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,3WG:A:502,valid,Ki,=,3.01,uM,[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,
,,6TFI,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:501,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,N6H:B:503,valid,,,,,CC1(CN(CCO1)C(=O)c2cc3c(c(c2)OC)oc(n3)NCc4cccc(c4)Cl)C,
,,6NX1,,,,,,,
,,,L7D:A:501,valid,,,,,c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O,
,,,L7D:B:501,valid,,,,,c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C(C(F)(F)F)(C(F)(F)F)O,
,Family. Representative Entry is ,5MLJ,,,,,,,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:B:901,invalid,,,,,C(CO)O,
,,,9ST:B:902,valid,Ki,=,1.4,nM,CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3,
,,,9ST:A:902,valid,Ki,=,1.4,nM,CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3,
,Family. Representative Entry is ,3DCT,,,,,,,
,,,064:A:1,valid,,,,,CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)C=Cc4cccc(c4)C(=O)O,
,Family. Representative Entry is ,2A3I,,,,,,,
,,,C0R:A:301,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,Family. Representative Entry is ,6J3P,,,,,,,
,,,B8O:B:900,valid,Kd,=,105,nM,CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5,
,,,B8O:A:900,valid,Kd,=,105,nM,CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5,
,Family. Representative Entry is ,6AY3,,,,,,,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,NA:A:1203,invalid,,,,,[Na+],
,,,C3J:A:1201,valid,ic50,=,9.5,nM,CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F,
,,,C3J:B:1201,valid,ic50,=,9.5,nM,CNC(=O)c1c[nH]c2c1cc(cc2)N3CCCc4c3cc(c(c4)c5cnn(c5)C)C(F)F,
,,5NLK,,,,,,,
,,,92E:A:1201,valid,Kd,=,0.035,uM,CCOc1ccc(cc1NC(=O)c2cc(cc(c2)NC(=O)c3ccco3)NC(=O)C)C(=O)C,
,,5MQE,,,,,,,
,,,PKU:A:1201,valid,Kd,=,4,uM,CNC(=O)c1cc(c[nH]1)Br,
,,,PKU:B:1201,valid,Kd,=,4,uM,CNC(=O)c1cc(c[nH]1)Br,
,,4YK0,,,,,,,
,,,098:B:1201,valid,Kd,=,181,uM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,098:C:1201,valid,Kd,=,181,uM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,098:A:1201,valid,Kd,=,181,uM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,098:D:1201,valid,Kd,=,181,uM,c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@H](Cc3cccc(c3)O)[C@@H](C(=O)NO)NCC4CC4)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,5MPZ,,,,,,,
,,,4I8:A:1202,valid,Kd,=,85,uM,COC(=O)c1ccc2c(c1)OC(=O)N2,
,,,4I8:A:1201,valid,Kd,=,85,uM,COC(=O)c1ccc2c(c1)OC(=O)N2,
,,6AXQ,,,,,,,
,,,DMS:D:1201,invalid,,,,,CS(=O)C,
,,,DMS:B:1201,invalid,,,,,CS(=O)C,
,,,DMS:A:1201,invalid,,,,,CS(=O)C,
,,,DMS:A:1202,invalid,,,,,CS(=O)C,
,,,DMS:C:1202,invalid,,,,,CS(=O)C,
,,,DMS:C:1201,invalid,,,,,CS(=O)C,
,,,C2Y:A:1203,valid,ic50,=,99000,nM,COC(=O)c1c[nH]c2c1cccc2,
,,,C2Y:B:1202,valid,ic50,=,99000,nM,COC(=O)c1c[nH]c2c1cccc2,
,,,C2Y:C:1203,valid,ic50,=,99000,nM,COC(=O)c1c[nH]c2c1cccc2,
,,,C2Y:D:1202,valid,ic50,=,99000,nM,COC(=O)c1c[nH]c2c1cccc2,
,,5DBM,,,,,,,
,,,58N:C:1201,valid,Kd,=,0.35,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C,
,,,58N:B:1201,valid,Kd,=,0.35,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C,
,,,58N:A:1201,valid,Kd,=,0.35,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3cnn(c3)C(C)(C)C,
,,5LPM,,,,,,,
,,,71Y:B:1202,valid,Kd,=,2.77,uM,CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C,
,,,71Y:A:1201,valid,Kd,=,2.77,uM,CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C,
,,,71Y:B:1201,valid,Kd,=,2.77,uM,CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C,
,,,71Y:A:1202,valid,Kd,=,2.77,uM,CCc1c(c([nH]c1C(=O)N[C@H]2c3cc(ccc3CC[C@@H]2O)Cl)C)C(=O)C,
,,,ACT:A:1203,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1204,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1203,invalid,,,,,CC(=O)[O-],
,,5NRW,,,,,,,
,,,96N:A:1201,valid,,,,,CCc1c(c([nH]c1C(=O)NCc2cccc3c2cccc3)C)C(=O)C,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,3P1D,,,,,,,
,,,K:B:1,Part of Protein,,,,,[K+],
,,,MB3:A:1198,valid,,,,,CN1CCCC1=O,
,,,MB3:B:2,valid,,,,,CN1CCCC1=O,
,,,SCN:A:1,invalid,,,,,C(#N)[S-],
,,5LPJ,,,,,,,
,,,XDM:A:1201,valid,Kd,=,10.1,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,6FQO,,,,,,,
,,,E2T:B:1201,valid,ic50,=,0.14,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C,
,,,E2T:A:1201,valid,ic50,=,0.14,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)C4=C(ON(C4=O)C)C)C(=O)C,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,4TQN,,,,,,,
,,,UL4:A:1201,valid,Kd,=,0.77,uM,CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)C,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,6FRF,,,,,,,
,,,E3T:B:1201,valid,ic50,=,0.04,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C,
,,,E3T:D:1201,valid,ic50,=,0.04,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C,
,,,E3T:A:1201,valid,ic50,=,0.04,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C,
,,,E3T:C:1201,valid,ic50,=,0.04,uM,CCOc1ccc(cc1c2cc(cc(c2)NC(=O)c3ccco3)c4c(noc4C)C)C(=O)C,
,,5TB6,,,,,,,
,,,77X:A:1201,valid,Kd,=,1.53,uM,CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,5MQK,,,,,,,
,,,QPR:B:1201,valid,,,,,CC(=O)c1cn(c2c1cccc2)C,
,,,QPR:A:1201,valid,,,,,CC(=O)c1cn(c2c1cccc2)C,
,,5MQG,,,,,,,
,,,F31:A:1201,valid,,,,,CC(=O)c1ccc(c(c1)OC)N,
,,,F31:B:1201,valid,,,,,CC(=O)c1ccc(c(c1)OC)N,
,,5I83,,,,,,,
,,,SCN:A:1201,invalid,,,,,C(#N)[S-],
,,,68Y:A:1202,valid,ic50,=,4.1,uM,C[C@@H]1CC(=O)Nc2ccc(cc2N1)O[C@H](C)c3ccccc3,
,,4A9K,,,,,,,
,,,EDO:A:2198,invalid,,,,,C(CO)O,
,,,EDO:A:2199,invalid,,,,,C(CO)O,
,,,K:B:2197,Part of Protein,,,,,[K+],
,,,SCN:A:2201,invalid,,,,,C(#N)[S-],
,,,TYL:A:2200,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,TYL:B:2198,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,5I86,,,,,,,
,,,69A:B:1202,valid,ic50,=,0.53,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3,
,,,69A:A:1203,valid,ic50,=,0.53,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3,
,,,SCN:A:1202,invalid,,,,,C(#N)[S-],
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:B:1201,invalid,,,,,C(CO)O,
,,6FR0,,,,,,,
,,,E3H:A:1201,valid,ic50,=,0.146,uM,CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C,
,,,E3H:B:1201,valid,ic50,=,0.146,uM,CCN1C(=O)C(=C(O1)C)c2cc(cc(c2)NC(=O)c3ccco3)c4cc(ccc4OCC)C(=O)C,
,,5NU5,,,,,,,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,99E:A:1201,valid,Kd,=,0.47,uM,CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C,
,,,99E:B:1201,valid,Kd,=,0.47,uM,CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C,
,,5LPK,,,,,,,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:F:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1205,invalid,,,,,C(CO)O,
,,,EDO:D:1203,invalid,,,,,C(CO)O,
,,,EDO:D:1204,invalid,,,,,C(CO)O,
,,,EDO:E:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:D:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1206,invalid,,,,,C(CO)O,
,,,EDO:G:1201,invalid,,,,,C(CO)O,
,,,EDO:F:1203,invalid,,,,,C(CO)O,
,,,EDO:C:1203,invalid,,,,,C(CO)O,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XDM:E:1202,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:D:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:B:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:F:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:E:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:A:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,XDM:C:1201,valid,Kd,=,3.06,uM,CCc1c(c([nH]c1C(=O)NCc2cccc(c2)Cl)C)C(=O)C,
,,,PG4:B:1208,invalid,,,,,C(COCCOCCOCCO)O,
,,5MME,,,,,,,
,,,8Q6:B:1201,valid,Kd,=,1.4,uM,CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C,
,,,8Q6:A:1201,valid,Kd,=,1.4,uM,CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(=O)C,
,,5I89,,,,,,,
,,,ACT:A:1201,invalid,,,,,CC(=O)[O-],
,,,CA:A:1202,Part of Protein,,,,,[Ca+2],
,,,69B:A:1203,valid,ic50,=,0.033,uM,C[C@@H]1CC(=O)Nc2cccc(c2N1)c3ccc4c(c3)c(nn4C)C5CC5,
,,5NU3,,,,,,,
,,,BU3:A:1204,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1205,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1202,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1203,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,99E:A:1201,valid,Kd,=,0.23,uM,CCc1c(c([nH]c1C(=O)NCc2c(ccc3c2c(ccc3)O)O)C)C(=O)C,
,,,SO4:A:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OWK,,,,,,,
,,,7MX:A:1202,valid,,,,,CCOC(=O)C1=CN(C(=O)C=C1Cl)C,
,,,7MX:A:1201,valid,,,,,CCOC(=O)C1=CN(C(=O)C=C1Cl)C,
,,6AY5,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C3V:A:1201,valid,ic50,=,69,nM,Cn1cc(cn1)c2cc3c(cc2C(F)F)N(CCC3)c4ccc5c(c4)N(C(=O)S5)C,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1204,invalid,,,,,CS(=O)C,
,,5LPL,,,,,,,
,,,71X:A:1201,valid,Kd,=,12,uM,CCc1c(c([nH]c1C(=O)N[C@@H]2c3cc(ccc3CC[C@H]2O)Cl)C)C(=O)C,
,,6FQU,,,,,,,
,,,E3B:A:1201,valid,ic50,=,2.2,uM,CCOc1ccc(cc1c2cccc(c2)N3CCCC(C3)(F)F)C(=O)C,
,,6DMK,,,,,,,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,2LL:A:1202,valid,,,,,Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccccc5,
,,,NO3:A:1201,invalid,,,,,[N+](=O)([O-])[O-],
,,5MMG,,,,,,,
,,,UT0:A:1201,valid,Kd,=,0.97,uM,CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=O)(=O)C)C(=O)C,
,,5MPN,,,,,,,
,,,YE5:A:1201,valid,Kd,=,0.085,uM,CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C,
,,,YE5:A:1202,valid,Kd,=,0.085,uM,CCOc1ccc(cc1c2cccc(c2)c3n[nH]nn3)C(=O)C,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,5J0D,,,,,,,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,6F9:A:1201,valid,Kd,=,134,nM,CCC(=O)N1CCOc2c(cc(cc2C(=O)N[C@H]3CCCN(C3)C)c4cc(cc(c4)OC)OC)C1,
,,5MPK,,,,,,,
,,,0BC:B:1201,valid,Kd,=,0.003,uM,CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C,
,,,0BC:A:1201,valid,Kd,=,0.003,uM,CCOc1ccc(cc1NC(=O)c2cc(cc(c2)c3n[nH]nn3)c4cscn4)C(=O)C,
,,5CGP,,,,,,,
,,,53W:A:4000,valid,Kd,=,0.12,uM,Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC,
,Family. Representative Entry is ,5H86,,,,,,,
,,,BCO:A:201,valid,Ki,=,5.6,uM,CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5H84,,,,,,,
,,,1VU:A:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,IPA:A:205,invalid,,,,,CC(C)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,1Z4R,,,,,,,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5TRL,,,,,,,
,,,SCA:D:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:G:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:H:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:E:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:A:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:B:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:F:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:C:701,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,Family. Representative Entry is ,6ILQ,,,,,,,
,,,AE0:A:501,valid,ic50,=,0.44,uM,CCCCC1=NC(=C(C(=O)N1Cc2ccc(cc2)c3ccccc3C4=NOC(=O)N4)CC(=O)OCC)C(C)C,
,,4HEE,,,,,,,
,,,14R:X:501,valid,,,,,CCc1nc2c(n1[C@H]3CCc4c3ccc(c4)c5ccccc5c6[nH]nnn6)C(=O)N(C=C2)Cc7ccccc7,
,Family. Representative Entry is ,2HFP,,,,,,,
,,,NSI:A:478,valid,ic50,=,3,nM,COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F,
,,,NSI:A:479,valid,ic50,=,3,nM,COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F,
,Family. Representative Entry is ,4PSW,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3UUD,,,,,,,
,,,EDO:B:554,invalid,,,,,C(CO)O,
,,,EST:A:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:B:600,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:553,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2PRG,,,,,,,
,,,BRL:A:1,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,,,BRL:B:2,valid,,,,,CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S2)c3ccccn3,
,Family. Representative Entry is ,3BEJ,,,,,,,
,,,MUF:A:473,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C,
,,,MUF:B:1,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)c4ccc(cc4)O)CC=C5[C@@]3(CCC(=C5)C(=O)O)C,
,,,YT3:A:1,invalid,,,,,[Y+3],
,,,YT3:B:2,invalid,,,,,[Y+3],
,Family. Representative Entry is ,3TO7,,,,,,,
,,,CAD:A:501,invalid,,,,,C[As](=O)(C)O,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MJB,,,,,,,
,,,ACO:A:500,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,1FY7,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:A:1,invalid,,,,,[Na+],
,,1MJ9,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,3TO9,,,,,,,
,,,CAD:A:502,invalid,,,,,C[As](=O)(C)O,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MJA,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5LKT,,,,,,,
,,,CL:A:1710,invalid,,,,,[Cl-],
,,,ZN:A:1702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1703,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1704,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1707,invalid,,,,,C(C(CO)O)O,
,,,BCO:A:1705,valid,,,,,CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,DMS:A:1709,invalid,,,,,CS(=O)C,
,,5LKZ,,,,,,,
,,,ZN:A:1702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1703,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1704,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1707,invalid,,,,,C(C(CO)O)O,
,,,COO:A:1705,valid,,,,,CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5TPX,,,,,,,
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1501,invalid,,,,,[Cl-],
,,,7H7:A:1505,valid,Kd,=,280,nM,Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C,
,Family. Representative Entry is ,3UU7,,,,,,,
,,,2OH:A:1,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,,,2OH:B:1,valid,,,,,CC(C)(c1ccc(cc1)O)c2ccc(cc2)O,
,Family. Representative Entry is ,4NSQ,,,,,,,
,,,COA:B:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:700,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5XXH,,,,,,,
,,,E0D:A:1201,valid,ic50,=,6.8,uM,CC(=O)c1cn(c2c1cccc2)CC(=O)N3CCC[C@@H](C3)C(=O)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,MG:A:1203,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1U3R,,,,,,,
,,,338:A:201,valid,ic50,=,5,nM,c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O,
,,,338:B:202,valid,ic50,=,5,nM,c1cc2c(cccc2O)c(c1)c3nc4ccc(cc4o3)O,
,,1X76,,,,,,,
,,,697:A:201,valid,ic50,=,1.9,nM,c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O,
,,,697:B:202,valid,ic50,=,1.9,nM,c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O,
,,1ZAF,,,,,,,
,,,789:A:201,valid,ic50,=,20,nM,c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O,
,,,789:B:202,valid,ic50,=,20,nM,c1cc(ccc1C2=C(c3ccc(cc3C2=O)O)Br)O,
,,1X7J,,,,,,,
,,,GEN:A:201,valid,ic50,=,9,nM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,,GEN:B:202,valid,ic50,=,9,nM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,1X78,,,,,,,
,,,244:A:201,valid,ic50,=,14,nM,c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O,
,,,244:B:202,valid,ic50,=,14,nM,c1cc(ccc1c2cc3cc(cc(c3o2)CC#N)O)O,
,,1U3S,,,,,,,
,,,797:A:201,valid,ic50,=,1.4,nM,c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O,
,,,797:B:202,valid,ic50,=,1.4,nM,c1cc(cc2c1cc(cc2)O)c3c4ccc(cc4on3)O,
,,1X7B,,,,,,,
,,,041:A:201,valid,ic50,=,4.1,nM,C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O,
,,,041:B:202,valid,ic50,=,4.1,nM,C=Cc1cc(cc2c1oc(n2)c3ccc(c(c3)F)O)O,
,Family. Representative Entry is ,3UUA,,,,,,,
,,,0CZ:A:1,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O,
,,,0CZ:B:1,valid,,,,,c1cc(ccc1C(c2ccc(cc2)O)(C(F)(F)F)C(F)(F)F)O,
,Family. Representative Entry is ,4TUZ,,,,,,,
,,,36J:A:601,valid,,,,,C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O,
,,,36J:B:601,valid,,,,,C[C@H]1CCC[C@@H](CCC/C=C/c2cc(cc(c2C(=O)O1)O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5A86,,,,,,,
,,,D7E:A:1433,valid,,,,,CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F,
,,,D7E:B:1432,valid,,,,,CCn1c2cc(ccc2nc1[C@@H](C)NS(=O)(=O)c3ccc(cc3)Cl)C(F)(F)F,
,Family. Representative Entry is ,1BOB,,,,,,,
,,,ACO:A:400,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CA:A:321,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6GYT,,,,,,,
,,,ZN:B:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1302,invalid,,,,,[Zn+2],
,,,ZN:A:1302,invalid,,,,,[Zn+2],
,,,GLY LEU GLY ALY GLY GLY ALA ALY ALA:C:9,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CC(C)C)CCCCNC(=O)C)C)CCCCNC(=O)C,
,Family. Representative Entry is ,2P54,,,,,,,
,,,735:A:469,valid,,,,,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NCc3ccc(cc3)OC(C)(C)C(=O)O,
,Family. Representative Entry is ,5ICV,,,,,,,
,,,MET LYS ALA VAL 1XE:C:1,valid,ic50,=,2.44,uM,S(CC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)C)CCCC[NH3+])CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCc1c(OP(=O)([O-])[O-])c(O)c(-n2c3ncnc(N)c3nc2)o1)[O-])[O-])(C)C,
,,,MET LYS ALA VAL 1XE:D:1,valid,ic50,=,2.44,uM,S(CC(O)[NH2+]C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)C)CCCC[NH3+])CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCc1c(OP(=O)([O-])[O-])c(O)c(-n2c3ncnc(N)c3nc2)o1)[O-])[O-])(C)C,
,,5ICW,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3KMR,,,,,,,
,,,EQN:A:1,valid,,,,,CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)O)(C)C)C,
,Family. Representative Entry is ,3RUU,,,,,,,
,,,37G:A:1,valid,,,,,CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)[nH]cc5C(=O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3P89,,,,,,,
,,,89P:A:1,valid,,,,,CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(cc3)c4ccc5c(c4)ccc(n5)C(=O)O,
,,,SO4:A:473,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OIV,,,,,,,
,,,XX9:B:501,valid,Kd,=,8.29,uM,CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl,
,,,XX9:A:501,valid,Kd,=,8.29,uM,CC(C)(C)c1cc(ccc1O)N(Cc2ccccc2)C(=O)c3c(cc(cc3Cl)N(C)C)Cl,
,,3L1B,,,,,,,
,,,635:A:1,valid,,,,,CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2ccc(c3)F)(C)C)C(=O)c4ccc(cc4)OCCCN5CCOCC5,
,,1OSH,,,,,,,
,,,FEX:A:1,valid,,,,,CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CCC(=O)OC)C(=O)C4CCCCC4,
,,3FLI,,,,,,,
,,,33Y:A:1,valid,,,,,CC(C)OC(=O)C1=CN(CC(c2c1[nH]c3c2cccc3)(C)C)C(=O)c4ccc(c(c4)F)F,
,Family. Representative Entry is ,1QSM,,,,,,,
,,,ACO:A:1200,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1202,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1203,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6SSQ,,,,,,,
,,,754:B:501,valid,,,,,CCCOc1cc2c(cc1/C(=CC=CC(=CC(=O)O)C)/C)C(CCC2(C)C)(C)C,
,,,754:A:501,valid,,,,,CCCOc1cc2c(cc1/C(=CC=CC(=CC(=O)O)C)/C)C(CCC2(C)C)(C)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,FLC:A:502,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,4TV1,,,,,,,
,,,36M:B:601,valid,,,,,CCCOC(=O)c1ccc(cc1)O,
,,,36M:A:601,valid,,,,,CCCOC(=O)c1ccc(cc1)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6HL1,,,,,,,
,,,JN3:A:501,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,1OSV,,,,,,,
,,,CHC:A:202,valid,,,,,CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O,
,,,CHC:B:201,valid,,,,,CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O,
,,5ICK,,,,,,,
,,,FEZ:B:501,valid,,,,,C/C/1=C/CC[C@](/C=C[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O,
,,,FEZ:A:501,valid,,,,,C/C/1=C/CC[C@](/C=C[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O,
,,,FEZ:B:502,valid,,,,,C/C/1=C/CC[C@](/C=C[C@@H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)O,
,Family. Representative Entry is ,5ML0,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,P2L:A:901,valid,,,,,CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl,
,Family. Representative Entry is ,5W0E,,,,,,,
,,,9U4:A:1201,valid,ic50,=,0.94,nM,CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1,
,,5W0L,,,,,,,
,,,9UD:A:1201,valid,ic50,=,1.1,nM,CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1,
,,,9UD:B:1201,valid,ic50,=,1.1,nM,CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1,
,,5W0F,,,,,,,
,,,9U7:A:1201,valid,ic50,=,16,nM,CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4ccc(c5)c6cnn(c6)C)C1,
,,5W0Q,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9UG:A:1204,valid,ic50,=,18,uM,Cc1ccc2c(c1)O[C@@H](CN2C(=O)NC)C,
,,5W0I,,,,,,,
,,,9UA:A:1201,valid,ic50,=,1.4,nM,CC(=O)N1CCc2c(c(nn2[C@H]3CCOC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1,
,,,DMS:A:1203,invalid,,,,,CS(=O)C,
,,,DMS:A:1202,invalid,,,,,CS(=O)C,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6MAK,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ACO:A:702,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,5GK9,,,,,,,
,,,ACO:A:702,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,6MAJ,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,JAV:A:704,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2cccc(c2)O)c3ccccc3,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4DM8,,,,,,,
,,,REA:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,REA:B:1501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,4DM6,,,,,,,
,,,TTB:A:501,valid,,,,,C/C(=Cc1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C,
,,,TTB:B:1501,valid,,,,,C/C(=Cc1ccc(cc1)C(=O)O)/c2ccc3c(c2)C(CCC3(C)C)(C)C,
,Family. Representative Entry is ,6OIN,,,,,,,
,,,MQJ:A:802,valid,,,,,c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,6OIP,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MLS:A:504,valid,,,,,Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2,
,,6BA4,,,,,,,
,,,NA:A:803,Part of Protein,,,,,[Na+],
,,,NA:A:802,invalid,,,,,[Na+],
,,,NA:A:804,Part of Protein,,,,,[Na+],
,,,ACO:A:805,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,7L1:A:806,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)OP(=O)(O)O)O)O,
,,6OIQ,,,,,,,
,,,MLV:A:802,valid,,,,,c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,6PDB,,,,,,,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,O9M:A:806,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,6OIO,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ML7:A:801,valid,,,,,c1ccc(cc1)c2cccc(c2)C(=O)NNS(=O)(=O)c3ccccc3,
,,6BA2,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,CL:A:801,invalid,,,,,[Cl-],
,,,NA:A:807,Part of Protein,,,,,[Na+],
,,,7KM:A:809,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccc3,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,6PDD,,,,,,,
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:802,invalid,,,,,[Na+],
,,,O9S:A:803,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,6PDE,,,,,,,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,O9V:A:806,valid,,,,,CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,6CT2,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,FCV:A:801,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3,
,,6OWI,,,,,,,
,,,NB7:A:802,valid,,,,,c1ccc(cc1)C(=O)NNS(=O)(=O)c2ccccc2F,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,6PDF,,,,,,,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,O9Y:A:806,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3nccn3,
,,6PDA,,,,,,,
,,,O9J:A:806,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ccccn3,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,6OWH,,,,,,,
,,,NBJ:A:804,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I,
,,,DMS:A:805,invalid,,,,,CS(=O)C,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,6PDC,,,,,,,
,,,O9P:A:806,valid,,,,,Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OCC=C,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,6OIR,,,,,,,
,,,MNJ:A:802,valid,,,,,c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,6PDG,,,,,,,
,,,O9A:A:806,valid,,,,,CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)F)C,
,,,NA:A:802,invalid,,,,,[Na+],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3ET3,,,,,,,
,,,ET1:A:1,valid,,,,,COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O,
,Family. Representative Entry is ,1YYE,,,,,,,
,,,196:A:531,valid,ic50,=,2.7,nM,c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O,
,,,196:B:531,valid,ic50,=,2.7,nM,c1cc(cc2c1cc(cc2C#N)c3ccc(c(c3)F)O)O,
,Family. Representative Entry is ,3ET1,,,,,,,
,,,ET1:A:1,valid,,,,,COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O,
,,,ET1:B:2,valid,,,,,COc1ccc(cc1)S(=O)(=O)n2cc(c3c2ccc(c3)OC)CCC(=O)O,
,Family. Representative Entry is ,2I0G,,,,,,,
,,,I0G:A:1,valid,Ki,=,0.19,nM,c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O,
,,,I0G:B:1,valid,Ki,=,0.19,nM,c1cc(ccc1[C@H]2[C@H]3CCC[C@H]3c4cc(ccc4O2)O)O,
,,2JJ3,,,,,,,
,,,JJ3:A:1499,valid,Ki,=,0.28,nM,COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,,JJ3:B:1501,valid,Ki,=,0.28,nM,COCc1cc(cc2c1O[C@H]([C@@H]3[C@H]2CCC3)c4ccc(cc4)O)O,
,,2Z4B,,,,,,,
,,,DC8:A:80,valid,Ki,=,0.44,nM,c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O,
,,,DC8:B:81,valid,Ki,=,0.44,nM,c1cc(ccc1[C@H]2[C@H]3CC(C[C@H]3c4cc(ccc4O2)O)(F)F)O,
,,5TOA,,,,,,,
,,,EST:B:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,,EST:A:601,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,1QKM,,,,,,,
,,,GEN:A:600,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,2GIU,,,,,,,
,,,FBR:A:600,valid,ic50,=,1.5,nM,CCCC[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br,
,,1QKN,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,RAL:A:600,valid,,,,,c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O,
,,1U9E,,,,,,,
,,,397:A:201,valid,ic50,=,5.7,nM,c1cc(ccc1c2cc3cc(ccc3o2)O)O,
,,,397:B:202,valid,ic50,=,5.7,nM,c1cc(ccc1c2cc3cc(ccc3o2)O)O,
,,,LYS LEU VAL GLN LEU LEU THR THR THR:C:605,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)CCC(=O)N)CC(C)C)CC(C)C)C(O)C)C(O)C)C(O)C,
,,,LYS LEU VAL GLN LEU LEU THR THR THR:D:605,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)C(C)C)CCC(=O)N)CC(C)C)CC(C)C)C(O)C)C(O)C)C(O)C,
,,1U3Q,,,,,,,
,,,272:A:501,valid,ic50,=,3.5,nM,c1cc2c(cc1O)onc2c3ccc(cc3O)O,
,,,272:B:501,valid,ic50,=,3.5,nM,c1cc2c(cc1O)onc2c3ccc(cc3O)O,
,,,272:C:501,valid,ic50,=,3.5,nM,c1cc2c(cc1O)onc2c3ccc(cc3O)O,
,,,272:D:501,valid,ic50,=,3.5,nM,c1cc2c(cc1O)onc2c3ccc(cc3O)O,
,,1HJ1,,,,,,,
,,,AOE:A:1436,valid,,,,,CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(ccc2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)O,
,,,NI:A:1438,Part of Protein,,,,,[Ni+2],
,,,NI:A:1439,Part of Protein,,,,,[Ni+2],
,,,PMB:A:1437,valid,,,,,c1cc(ccc1S(=O)(=O)O)[Hg],
,,2FSZ,,,,,,,
,,,OHT:A:101,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:A:103,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:B:102,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,,OHT:B:104,valid,,,,,CC/C(=C(c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3,
,,2NV7,,,,,,,
,,,555:A:501,valid,ic50,=,5,nM,c1ccc2c(c1)c(ccc2c3ccc(cc3)O)C=NO,
,,,555:B:501,valid,ic50,=,5,nM,c1ccc2c(c1)c(ccc2c3ccc(cc3)O)C=NO,
,,,HIS LYS LEU VAL GLN LEU LEU THR THR THR:C:604,invalid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])CC(C)C)C(C)C)CCC(=O)N)CC(C)C)CC(C)C)C(O)C)C(O)C)C(O)C,
,,,HIS LYS LEU VAL GLN LEU LEU THR THR THR:D:604,invalid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1nc[nH]c1)CCCC[NH3+])CC(C)C)C(C)C)CCC(=O)N)CC(C)C)CC(C)C)C(O)C)C(O)C)C(O)C,
,Family. Representative Entry is ,5HGZ,,,,,,,
,,,ACO:A:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MLA:A:302,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:303,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,3H0A,,,,,,,
,,,9RA:A:500,valid,,,,,Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C,
,,,D30:D:500,valid,Ki,=,0.033,uM,CCC#CCOc1cc(ccc1Sc2ccc(c3c2CCCC3)OCC(=O)O)COc4ccc(cc4)C(F)(F)F,
,Family. Representative Entry is ,6J3O,,,,,,,
,,,B4L:B:900,valid,Kd,=,2.4,uM,CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C,
,,,B4L:A:900,valid,Kd,=,2.4,uM,CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C,
,Family. Representative Entry is ,5HH0,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5HH1,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3BQD,,,,,,,
,,,DAY:A:301,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)C,
,Family. Representative Entry is ,3G9E,,,,,,,
,,,RO7:A:1,valid,ic50,=,0.019,uM,Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC,
,,2FVJ,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,RO0:A:501,valid,,,,,COc1ccccc1C2CCN(CC2)Cc3cnc(c4c3cc(c(c4)OC)OC)Cc5ccc(c(c5)OC)OC,
,Family. Representative Entry is ,3T03,,,,,,,
,,,3T0:A:2,valid,Ki,=,160,nM,Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O,
,,,3T0:B:1,valid,Ki,=,160,nM,Cc1ccc(cc1)CN2C(=O)/C(=C/c3cc(ccc3OC)Br)/SC2=O,
,Family. Representative Entry is ,5MG2,,,,,,,
,,,EDO:A:1702,invalid,,,,,C(CO)O,
,,,EDO:A:1703,invalid,,,,,C(CO)O,
,,,EDO:A:1701,invalid,,,,,C(CO)O,
,,,7M8:A:1704,valid,Kd,=,17,nM,Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5CCCO)C3=O)N(C(=O)N2C)C,
,,6BQD,,,,,,,
,,,69G:A:1701,valid,ic50,=,0.41,uM,C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,,69G:B:1701,valid,ic50,=,0.41,uM,C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,5I29,,,,,,,
,,,CA:A:1702,Part of Protein,,,,,[Ca+2],
,,,67B:A:1701,valid,Kd,=,15,nM,CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,5I1Q,,,,,,,
,,,67C:A:1701,valid,Kd,=,12,nM,CN(C)C(=O)c1cccc(c1)C2=CN(C(=O)c3c2cc[nH]3)CCC=C,
3.5.1.13,,,,,,,,,
,Family. Representative Entry is ,4YJI,,,,,,,
,,,TYL:A:502,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,CXS:A:501,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
2.7.1.6,,,,,,,,,
,Family. Representative Entry is ,1WUU,,,,,,,
,,,ANP:A:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:395,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GLA:A:393,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:393,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:393,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:393,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,,,MG:C:394,Part of Protein,,,,,[Mg+2],
,,,MG:D:394,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1PIE,,,,,,,
,,,GLA:A:400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2AJ4,,,,,,,
,,,ANP:A:532,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:532,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:A:531,invalid,,,,,[Cl-],
,,,CL:B:531,invalid,,,,,[Cl-],
,,,GLA:A:529,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:529,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:530,Part of Protein,,,,,[Mg+2],
,,,MG:B:530,Part of Protein,,,,,[Mg+2],
6.3.2.5,,,,,,,,,
,Family. Representative Entry is ,1U7Z,,,,,,,
,,,PMT:A:500,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O,
,,,PMT:B:1500,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O,
,,,PMT:C:2500,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O,
,,1U7W,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:1501,Part of Protein,,,,,[Ca+2],
,,,CA:C:2501,Part of Protein,,,,,[Ca+2],
,,,CTP:A:500,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:1500,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:2500,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6AIK,,,,,,,
,,,PMT:B:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O,
,,,PMT:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O,
,,6AIM,,,,,,,
,,,9Z3:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O,
,,,9Z3:B:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)O)O,
,,6AI9,,,,,,,
,,,PAZ:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:B:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,6AIP,,,,,,,
,,,9Z6:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O,
,,,9Z6:B:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)N)C(=O)O)O,
4.2.1.71,,,,,,,,,
,Family. Representative Entry is ,3VHZ,,,,,,,
,,,RET:A:250,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,SOG:A:430,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GLC L2P MAN SGA:B:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(CO)OC3OCC(OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)COCCC(CCCC(CCCC(CCCC(C)C)C)C)C)O2)OC(CO)C1O)[O-],
,,3VI0,,,,,,,
,,,RET:A:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,SOG:A:302,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GLC L2P MAN SGA:B:1,valid,,,,,S(=O)(=O)(OC1C(O)C(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(CO)OC3OCC(OCCC(CCCC(CCCC(CCCC(C)C)C)C)C)COCCC(CCCC(CCCC(CCCC(C)C)C)C)C)O2)OC(CO)C1O)[O-],
,Family. Representative Entry is ,2E7Z,,,,,,,
,,,ACT:A:1003,invalid,,,,,CC(=O)[O-],
,,,MGD:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MPD:A:1004,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1005,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1001,Part of Protein,,,,,[Na+],
,,,SF4:A:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,W:A:803,Part of Protein,,,,,[W+6],
1.11.1.6,,,,,,,,,
,Family. Representative Entry is ,6RJR,,,,,,,
,,,K:C:605,Part of Protein,,,,,[K+],
,,,K:B:604,Part of Protein,,,,,[K+],
,,,K:A:609,Part of Protein,,,,,[K+],
,,,K:D:606,Part of Protein,,,,,[K+],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,HEM:D:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:D:601,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,NDP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,8CAT,,,,,,,
,,,HEM:A:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:508,valid,Kd,<,10,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:508,valid,Kd,<,10,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DGB,,,,,,,
,,,HEM:A:1200,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:1202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:1203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,7CAT,,,,,,,
,,,HEM:A:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:508,valid,Kd,<,10,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:508,valid,Kd,<,10,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DGF,,,,,,,
,,,ACT:A:5000,invalid,,,,,CC(=O)[O-],
,,,ACT:B:5002,invalid,,,,,CC(=O)[O-],
,,,ACT:C:5001,invalid,,,,,CC(=O)[O-],
,,,ACT:D:5003,invalid,,,,,CC(=O)[O-],
,,,HEM:A:3000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:3001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:3002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:4000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:4001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DGG,,,,,,,
,,,CYN:A:4000,invalid,,,,,[C-]#N,
,,,CYN:B:4001,invalid,,,,,[C-]#N,
,,,CYN:C:4002,invalid,,,,,[C-]#N,
,,,CYN:D:4003,invalid,,,,,[C-]#N,
,,,HEM:A:2000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:2002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:2003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:3000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,4BLC,,,,,,,
,,,HEM:A:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:507,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4B7H,,,,,,,
,,,HEM:B:1517,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:1517,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:1517,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:1517,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NO:B:1522,invalid,,,,,[N]=O,
,,,NO:A:1518,invalid,,,,,[N]=O,
,,,NO:C:1520,invalid,,,,,[N]=O,
,,,NO:D:1520,invalid,,,,,[N]=O,
,,,BTB:C:1518,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:D:1519,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:1521,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:1520,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,NDP:C:1519,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1518,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1518,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1520,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CL:B:1519,invalid,,,,,[Cl-],
,,,CL:A:1519,invalid,,,,,[Cl-],
,,4B7F,,,,,,,
,,,HEM:A:3000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:3001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:3002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:B:1522,invalid,,,,,C(CO)O,
,,,EDO:D:1519,invalid,,,,,C(CO)O,
,,,EDO:B:1521,invalid,,,,,C(CO)O,
,,,EDO:D:1521,invalid,,,,,C(CO)O,
,,,EDO:A:1520,invalid,,,,,C(CO)O,
,,,EDO:C:1518,invalid,,,,,C(CO)O,
,,,EDO:B:1519,invalid,,,,,C(CO)O,
,,,NO:A:1519,invalid,,,,,[N]=O,
,,,NO:C:1519,invalid,,,,,[N]=O,
,,,NO:B:1520,invalid,,,,,[N]=O,
,,,NO:D:1520,invalid,,,,,[N]=O,
,,,BTB:D:1517,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,NDP:C:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1518,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1518,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CL:A:1517,invalid,,,,,[Cl-],
,,,CL:B:1518,invalid,,,,,[Cl-],
,,4B7G,,,,,,,
,,,HEM:A:3000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:3001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:3002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:3003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:1518,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:1517,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,CL:A:1517,invalid,,,,,[Cl-],
,,,CL:B:1518,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4QOM,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PYG:A:503,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:C:503,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:C:504,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:B:503,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:B:504,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:D:503,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:D:504,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,PYG:A:504,valid,,,,,c1cc(c(c(c1)O)O)O,
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,4QOR,,,,,,,
,,,2CH:D:504,valid,,,,,c1ccc(c(c1)O)Cl,
,,,2CH:C:503,valid,,,,,c1ccc(c(c1)O)Cl,
,,,2CH:A:503,valid,,,,,c1ccc(c(c1)O)Cl,
,,,2CH:D:503,valid,,,,,c1ccc(c(c1)O)Cl,
,,,2CH:B:504,valid,,,,,c1ccc(c(c1)O)Cl,
,,,2CH:B:503,valid,,,,,c1ccc(c(c1)O)Cl,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,4QON,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAQ:C:503,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:D:505,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:A:504,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:B:503,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:C:504,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:B:504,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:C:505,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:A:503,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:D:503,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:B:505,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:D:504,valid,,,,,c1ccc(c(c1)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:C:506,invalid,,,,,[Cl-],
,,4QOP,,,,,,,
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,HQE:A:503,valid,,,,,c1cc(ccc1O)O,
,,,HQE:D:503,valid,,,,,c1cc(ccc1O)O,
,,,HQE:C:503,valid,,,,,c1cc(ccc1O)O,
,,,HQE:B:503,valid,,,,,c1cc(ccc1O)O,
,,4QOO,,,,,,,
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RCO:D:503,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:C:503,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:A:503,valid,,,,,c1cc(cc(c1)O)O,
,,,RCO:B:503,valid,,,,,c1cc(cc(c1)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,4QOQ,,,,,,,
,,,JZ3:D:504,valid,,,,,COc1ccccc1O,
,,,JZ3:D:503,valid,,,,,COc1ccccc1O,
,,,JZ3:B:504,valid,,,,,COc1ccccc1O,
,,,JZ3:A:503,valid,,,,,COc1ccccc1O,
,,,JZ3:C:503,valid,,,,,COc1ccccc1O,
,,,JZ3:B:503,valid,,,,,COc1ccccc1O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:506,Part of Protein,,,,,[Na+],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5ZZ1,,,,,,,
,,,CA:B:1701,invalid,,,,,[Ca+2],
,,,CA:D:703,invalid,,,,,[Ca+2],
,,,CA:C:704,invalid,,,,,[Ca+2],
,,,CA:A:704,invalid,,,,,[Ca+2],
,,,CA:B:1705,invalid,,,,,[Ca+2],
,,,3TR:B:1703,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:A:702,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:C:702,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:B:1706,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:B:1704,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:A:703,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:D:702,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,3TR:C:703,valid,Ki,=,0.021,M,c1[nH]nc(n1)N,
,,,HDD:D:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O,
,,,HDD:B:1702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O,
,,,HDD:A:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O,
,,,HDD:C:701,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O,
,Family. Representative Entry is ,1DGH,,,,,,,
,,,HEM:A:2000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2001,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:2002,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:2003,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NDP:A:3000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:3001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6RJN,,,,,,,
,,,NA:B:612,Part of Protein,,,,,[Na+],
,,,NA:C:610,Part of Protein,,,,,[Na+],
,,,NA:D:609,Part of Protein,,,,,[Na+],
,,,NA:A:612,Part of Protein,,,,,[Na+],
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,,,CL:D:607,invalid,,,,,[Cl-],
,,,CL:B:609,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:B:611,Part of Protein,,,,,[K+],
,,,K:C:611,Part of Protein,,,,,[K+],
,,,K:C:609,Part of Protein,,,,,[K+],
,,,K:B:601,Part of Protein,,,,,[K+],
,,,K:B:613,Part of Protein,,,,,[K+],
,,,K:D:608,Part of Protein,,,,,[K+],
,,,K:A:611,Part of Protein,,,,,[K+],
,,,NDP:D:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:B:608,invalid,,,,,C(COCCO)O,
,,,PEG:C:608,invalid,,,,,C(COCCO)O,
,,,HEM:B:602,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:604,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
1.6.2.4,,,,,,,,,
,Family. Representative Entry is ,1B1C,,,,,,,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,FMN:A:190,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6T1T,,,,,,,
,,,NDP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FAD:B:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6T1U,,,,,,,
,,,FAD:B:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5FA6,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:B:703,valid,Ki,=,16.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:703,valid,Ki,=,16.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3QFC,,,,,,,
,,,CA:A:762,Part of Protein,,,,,[Ca+2],
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4YAF,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,2AM:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3OJX,,,,,,,
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4Y9U,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4Y9R,,,,,,,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAP:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4YAL,,,,,,,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2AM:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4YAW,,,,,,,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2AM:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3OJW,,,,,,,
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4YAO,,,,,,,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2AM:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4YAU,,,,,,,
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2AM:B:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,2AM:A:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4Y7C,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3QFR,,,,,,,
,,,CA:A:761,Part of Protein,,,,,[Ca+2],
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5EMN,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:B:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:703,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1JA1,,,,,,,
,,,EPE:B:1753,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:A:1750,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1850,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:1751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1851,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:1752,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1852,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QE2,,,,,,,
,,,CA:A:762,Part of Protein,,,,,[Ca+2],
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3FJO,,,,,,,
,,,FAD:A:750,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:751,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3QFS,,,,,,,
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3QFT,,,,,,,
,,,FAD:A:752,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:753,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5GXU,,,,,,,
,,,FMN:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.1.1.156,,,,,,,,,
,Family. Representative Entry is ,5GWX,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SAR:A:302,valid,,,,,CNCC(=O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5HIM,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,DMG:A:302,valid,,,,,CN(C)CC(=O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5HIK,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5HIL,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,SAR:A:302,valid,,,,,CNCC(=O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5H02,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,BET:A:302,invalid,,,,,C[N+](C)(C)CC(=O)O,
,,,BET:A:303,invalid,,,,,C[N+](C)(C)CC(=O)O,
3.4.13.3,,,,,,,,,
,Family. Representative Entry is ,1LFW,,,,,,,
,,,AEP:A:683,valid,,,,,C[C@H](C[P@](=O)([C@H](CC(=O)O)N)O)C(=O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
1.5.3.10,,,,,,,,,
,Family. Representative Entry is ,1PJ6,,,,,,,
,,,FAD:A:902,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FOL:A:2887,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,NA:A:2001,Part of Protein,,,,,[Na+],
,,3GSI,,,,,,,
,,,FAD:A:902,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,THG:A:2887,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,1PJ7,,,,,,,
,,,FAD:A:902,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FFO:A:2887,valid,,,,,c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C=O)C(=O)NC(=N3)N,
,,,NA:A:2001,Part of Protein,,,,,[Na+],
2.7.3.4,,,,,,,,,
,Family. Representative Entry is ,4WOE,,,,,,,
,,,ADP:B:802,valid,Kd,=,3.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:802,valid,Kd,=,3.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:801,valid,Kd,=,3.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:801,valid,Kd,=,3.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:806,invalid,,,,,[Mg+2],
,,,MG:A:805,invalid,,,,,[Mg+2],
,,,MG:B:805,invalid,,,,,[Mg+2],
,,,NO3:A:807,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:808,invalid,,,,,[N+](=O)([O-])[O-],
,,,3S5:B:804,valid,,,,,[H]/N=C(/N)NCCS(=O)(=O)O,
,,,3S5:A:804,valid,,,,,[H]/N=C(/N)NCCS(=O)(=O)O,
,,,3S5:B:803,valid,,,,,[H]/N=C(/N)NCCS(=O)(=O)O,
,,,3S5:A:803,valid,,,,,[H]/N=C(/N)NCCS(=O)(=O)O,
,,4WOD,,,,,,,
,,,ARG:A:801,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
5.2.1.2,,,,,,,,,
,Family. Representative Entry is ,1FW1,,,,,,,
,,,DTT:A:220,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GSH:A:217,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2V6K,,,,,,,
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,NA:A:1214,invalid,,,,,[Na+],
,,,NA:B:1214,invalid,,,,,[Na+],
,,,TGG:A:1213,valid,,,,,C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,TGG:B:1213,valid,,,,,C(CC(=O)N[C@@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,2JL4,,,,,,,
,,,GSH:A:1213,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1213,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
5.5.1.8,,,,,,,,,
,Family. Representative Entry is ,1N20,,,,,,,
,,,3AG:A:900,valid,,,,,CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C,
,,,3AG:B:901,valid,,,,,CC(=CCC[N@](C)CCO[P@](=O)([O-])OP(=O)([O-])[O-])C,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,1N22,,,,,,,
,,,7A8:A:801,valid,,,,,CC1=CC[C@@H](CC1)N(C)C,
,,,7A8:B:802,valid,,,,,CC1=CC[C@@H](CC1)N(C)C,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,MG:B:707,Part of Protein,,,,,[Mg+2],
,,,POP:A:901,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:902,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1N23,,,,,,,
,,,2BN:A:801,valid,,,,,CC1([C@@H]2CC[C@]1(NC2)C)C,
,,,2BN:B:802,valid,,,,,CC1([C@@H]2CC[C@]1(NC2)C)C,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
,,,POP:A:901,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:902,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,1N24,,,,,,,
,,,BP2:A:801,valid,,,,,CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C,
,,,BP2:B:802,valid,,,,,CC1([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])OP(=O)([O-])[O-])C)C,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:B:706,Part of Protein,,,,,[Mg+2],
3.2.1.6,,,,,,,,,
,Family. Representative Entry is ,2W39,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,NAG:A:1299,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC LGC:B:1,valid,,,,,,
,,2WNE,,,,,,,
,,,GLC BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2W52,,,,,,,
,,,BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2WLQ,,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,BGC BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,1UP7,,,,,,,
,,,G6P:A:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:E:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:F:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:G:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:H:1417,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAD:A:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1416,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:1418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1418,invalid,,,,,[O-]S(=O)(=O)[O-],
3.6.4.-,,,,,,,,,
,Family. Representative Entry is ,4RXH,,,,,,,
,,,PRO PRO LYS LYS LYS ARG LYS VAL:C:125,valid,Kd,=,1.23,uM,O=C(NC(C=O)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,,,PRO PRO LYS LYS LYS ARG LYS VAL:A:128,valid,Kd,=,1.23,uM,O=C(NC(C=O)C(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,Family. Representative Entry is ,6HAZ,,,,,,,
,,,ZN:A:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,FX5:B:1501,valid,,,,,c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O,
,,,FX5:A:1501,valid,,,,,c1ccc(c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O,
,Family. Representative Entry is ,5MZN,,,,,,,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2034,invalid,,,,,C(CO)O,
,,,EDO:A:2030,invalid,,,,,C(CO)O,
,,,EDO:A:2010,invalid,,,,,C(CO)O,
,,,EDO:A:2014,invalid,,,,,C(CO)O,
,,,EDO:A:2037,invalid,,,,,C(CO)O,
,,,EDO:A:2031,invalid,,,,,C(CO)O,
,,,EDO:A:2040,invalid,,,,,C(CO)O,
,,,EDO:A:2027,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,EDO:A:2025,invalid,,,,,C(CO)O,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:A:2013,invalid,,,,,C(CO)O,
,,,EDO:A:2020,invalid,,,,,C(CO)O,
,,,EDO:A:2008,invalid,,,,,C(CO)O,
,,,EDO:A:2035,invalid,,,,,C(CO)O,
,,,EDO:A:2022,invalid,,,,,C(CO)O,
,,,EDO:A:2019,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,,EDO:A:2023,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2026,invalid,,,,,C(CO)O,
,,,EDO:A:2016,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2015,invalid,,,,,C(CO)O,
,,,EDO:A:2029,invalid,,,,,C(CO)O,
,,,EDO:A:2028,invalid,,,,,C(CO)O,
,,,EDO:A:2032,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2007,invalid,,,,,C(CO)O,
,,,EDO:A:2033,invalid,,,,,C(CO)O,
,,,EDO:A:2017,invalid,,,,,C(CO)O,
,,,EDO:A:2041,invalid,,,,,C(CO)O,
,,,EDO:A:2024,invalid,,,,,C(CO)O,
,,,EDO:A:2036,invalid,,,,,C(CO)O,
,,,EDO:A:2039,invalid,,,,,C(CO)O,
,,,EDO:A:2038,invalid,,,,,C(CO)O,
,,,EDO:A:2018,invalid,,,,,C(CO)O,
,,,EDO:A:2009,invalid,,,,,C(CO)O,
,,,GOL:A:2045,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2047,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2048,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2049,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2046,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2050,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2043,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2042,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2052,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2051,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2053,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PEG:A:2055,invalid,,,,,C(COCCO)O,
,,,PEG:A:2057,invalid,,,,,C(COCCO)O,
,,,PEG:A:2062,invalid,,,,,C(COCCO)O,
,,,PEG:A:2061,invalid,,,,,C(COCCO)O,
,,,PEG:A:2059,invalid,,,,,C(COCCO)O,
,,,PEG:A:2064,invalid,,,,,C(COCCO)O,
,,,PEG:A:2056,invalid,,,,,C(COCCO)O,
,,,PEG:A:2063,invalid,,,,,C(COCCO)O,
,,,PEG:A:2054,invalid,,,,,C(COCCO)O,
,,,PEG:A:2058,invalid,,,,,C(COCCO)O,
,,,PEG:A:2060,invalid,,,,,C(COCCO)O,
,,,EDO GOL:A:2021,invalid,,,,,,
,,,MG:A:2065,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5J1S,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MES:A:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5J1T,,,,,,,
,,,BTB:A:404,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:405,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5J47,,,,,,,
,,,6JJ:A:703,valid,ic50,=,4.9,uM,c1ccc(cc1)Oc2ccccc2c3nn4cnnc4s3,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,MES:A:702,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,4G0A,,,,,,,
,,,CL:A:1201,invalid,,,,,[Cl-],
,,,CL:B:1200,invalid,,,,,[Cl-],
,,,CL:C:401,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,G   G   U:E:1,valid,,,,,,
,,,G   G   U:F:1,valid,,,,,,
,,,G   G   U:G:1,valid,,,,,,
,,,G   G   U:H:1,valid,,,,,,
,,,NA:C:402,invalid,,,,,[Na+],
,Family. Representative Entry is ,4B9K,,,,,,,
,,,ACT:F:1205,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1207,invalid,,,,,CC(=O)[O-],
,,,ACT:H:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:H:1114,invalid,,,,,CC(=O)[O-],
,,,ACT:I:1209,invalid,,,,,CC(=O)[O-],
,,,ACT:K:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:L:1208,invalid,,,,,CC(=O)[O-],
,,,ACT:L:1210,invalid,,,,,CC(=O)[O-],
,,,TG0:C:1203,valid,Ki,=,0.67,uM,Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O,
,,,TG0:F:1206,valid,Ki,=,0.67,uM,Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O,
,,,TG0:I:1210,valid,Ki,=,0.67,uM,Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O,
,,,TG0:L:1209,valid,Ki,=,0.67,uM,Cc1c(cccc1N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4c(ncs4)C)O,
,,6HAY,,,,,,,
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:H:204,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:H:203,invalid,,,,,C(CO)O,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:F:304,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:F:303,invalid,,,,,C(CO)O,
,,,EDO:H:202,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:F:305,invalid,,,,,C(CO)O,
,,,EDO:H:201,invalid,,,,,C(CO)O,
,,,EPE:F:306,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FX8:B:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O,
,,,FX8:F:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N)c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@H](C(C)(C)C)NC(=O)C7(CC7)F)O,
,,6HAX,,,,,,,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:H:203,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:1501,invalid,,,,,C(CO)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:201,invalid,,,,,C(CO)O,
,,,EDO:A:1502,invalid,,,,,C(CO)O,
,,,EDO:H:202,invalid,,,,,C(CO)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:E:1501,invalid,,,,,C(CO)O,
,,,EDO:H:201,invalid,,,,,C(CO)O,
,,,EPE:B:305,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FWZ:F:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O,
,,,FWZ:B:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O,
,,4BKS,,,,,,,
,,,ACT:L:1207,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1204,invalid,,,,,CC(=O)[O-],
,,,X6C:F:1203,valid,Kd,=,150,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,X6C:I:1206,valid,Kd,=,150,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,X6C:L:1206,valid,Kd,=,150,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,,,X6C:C:1203,valid,Kd,=,150,uM,CC(=O)N1C[C@@H](C[C@H]1C(=O)NCc2ccc(cc2)c3cnco3)O,
,Family. Representative Entry is ,3UVD,,,,,,,
,,,MB3:A:1,valid,,,,,CN1CCCC1=O,
,Family. Representative Entry is ,6HR2,,,,,,,
,,,FWZ:F:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O,
,,,FWZ:B:301,valid,,,,,Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C@@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O)C8(CC8)F)O,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:H:201,invalid,,,,,C(CO)O,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:E:1601,invalid,,,,,CS(=O)C,
4.1.2.25,,,,,,,,,
,Family. Representative Entry is ,1RSD,,,,,,,
,,,PSB:A:1001,valid,ic50,=,0.3,uM,c1ccc(c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)N)Sc5ccccc5CO,
,,2NM3,,,,,,,
,,,ACT:A:125,invalid,,,,,CC(=O)[O-],
,,,MPU:A:131,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O,
,,1RRW,,,,,,,
,,,9MG:A:1001,valid,ic50,=,28,uM,Cn1cnc2c1nc(nc2O)N,
,,2DHN,,,,,,,
,,,PH2:A:122,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,1RRI,,,,,,,
,,,A45:A:1001,valid,ic50,=,1.5,uM,c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O,
,,1RSI,,,,,,,
,,,977:A:1001,valid,ic50,=,38,uM,c1ccc(cc1)c2c(c(nc(n2)N)O)Br,
,,2NM2,,,,,,,
,,,NEU:A:122,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O,
,,,NEU:B:222,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O,
,,,NEU:C:322,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O,
,,,NEU:D:422,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O,
,,1RS2,,,,,,,
,,,209:A:1001,valid,ic50,=,50,uM,CN1c2c(nc([nH]2)N)C(=O)N(C1=O)C,
,Family. Representative Entry is ,1NBU,,,,,,,
,,,PH2:A:420,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:B:320,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:C:120,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:D:220,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:E:820,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:F:720,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:G:520,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:H:620,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
1.1.1.385,,,,,,,,,
,Family. Representative Entry is ,5ITV,,,,,,,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
2.7.11.12,,,,,,,,,
,Family. Representative Entry is ,3SHR,,,,,,,
,,,CMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OFG,,,,,,,
,,,N2P:A:607,invalid,,,,,C(CCN)CCN,
,,,N2P:A:603,invalid,,,,,C(CCN)CCN,
,,,N2P:A:604,invalid,,,,,C(CCN)CCN,
,,,N2P:A:602,invalid,,,,,C(CCN)CCN,
,,,N2P:A:605,invalid,,,,,C(CCN)CCN,
,,,N2P:A:606,invalid,,,,,C(CCN)CCN,
,,,EOH:A:616,invalid,,,,,CCO,
,,,EOH:A:612,invalid,,,,,CCO,
,,,EOH:A:614,invalid,,,,,CCO,
,,,EOH:A:620,invalid,,,,,CCO,
,,,EOH:A:617,invalid,,,,,CCO,
,,,EOH:A:611,invalid,,,,,CCO,
,,,EOH:A:619,invalid,,,,,CCO,
,,,EOH:A:622,invalid,,,,,CCO,
,,,EOH:A:618,invalid,,,,,CCO,
,,,EOH:A:621,invalid,,,,,CCO,
,,,EOH:A:615,invalid,,,,,CCO,
,,,EOH:A:613,invalid,,,,,CCO,
,,,EOH:A:623,invalid,,,,,CCO,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PCG:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5JAX,,,,,,,
,,,6J7:A:401,valid,,,,,C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,5J48,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:B:407,Part of Protein,,,,,[Na+],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,6FW:B:405,valid,,,,,c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl,
,,,6FW:A:404,valid,,,,,c1cc(ccc1Sc2nc3c(n2[C@H]4[C@@H]([C@H]5[C@H](O4)COP(=O)(O5)O)O)NC(=NC3=O)N)Cl,
,,5JD7,,,,,,,
,,,6JR:A:401,valid,,,,,c1ccc(cc1)c2cn3c(n2)Nc4c(ncn4[C@H]5[C@@H]([C@H]6[C@H](O5)COP(=O)(O6)O)O)C3=O,
,Family. Representative Entry is ,3OCP,,,,,,,
,,,CMP:A:250,valid,Kd,=,27,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:250,valid,Kd,=,27,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,4KU7,,,,,,,
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:422,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:416,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:414,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:423,invalid,,,,,[I-],
,,,IOD:A:421,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:420,invalid,,,,,[I-],
,,,IOD:A:419,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:418,invalid,,,,,[I-],
,,,IOD:A:424,invalid,,,,,[I-],
,,,IOD:A:413,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:A:415,invalid,,,,,[I-],
,,,IOD:A:412,invalid,,,,,[I-],
,,,IOD:A:411,invalid,,,,,[I-],
,,,IOD:A:417,invalid,,,,,[I-],
,,,PCG:A:425,valid,Kd,=,12,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,4QX5,,,,,,,
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:416,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:414,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:419,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:418,invalid,,,,,[I-],
,,,IOD:A:413,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,IOD:A:412,invalid,,,,,[I-],
,,,IOD:A:415,invalid,,,,,[I-],
,,,IOD:A:411,invalid,,,,,[I-],
,,,IOD:A:417,invalid,,,,,[I-],
,,,CMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,6C0T,,,,,,,
,,,EE4:A:701,valid,ic50,=,43.1,nM,CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,PGE:A:703,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5C8W,,,,,,,
,,,PCG:C:302,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:A:302,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:E:302,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:D:302,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:F:302,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:303,valid,Kd,=,43.8,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,NA:F:303,invalid,,,,,[Na+],
,,,NA:C:303,invalid,,,,,[Na+],
,,,NA:A:303,invalid,,,,,[Na+],
,,,MLA:D:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:302,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:E:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:F:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:301,invalid,,,,,C(C(=O)O)C(=O)O,
,,5C6C,,,,,,,
,,,CO:A:307,invalid,,,,,[Co+2],
,,,CO:B:305,invalid,,,,,[Co+2],
,,,CO:A:306,invalid,,,,,[Co+2],
,,,CO:A:305,Part of Protein,,,,,[Co+2],
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CMP:B:304,valid,Kd,=,418,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:304,valid,Kd,=,418,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CD:B:301,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CD:B:302,invalid,,,,,[Cd+2],
,,,CD:B:303,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,NA:B:307,Part of Protein,,,,,[Na+],
,,,EDO:A:309,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5BV6,,,,,,,
,,,35G:A:501,valid,Kd,=,31,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,NA:A:505,invalid,,,,,[Na+],
,,5JIX,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,CA:A:502,invalid,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,6J7:A:511,valid,,,,,C1[C@@H]2[C@H]([C@H]([C@@H](O2)n3c4c(nc3Br)C(=O)NC(=N4)N)O)OP(=O)(O1)O,
,,,PE5:A:510,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,NA:A:512,Part of Protein,,,,,[Na+],
4.2.1.127,,,,,,,,,
,Family. Representative Entry is ,5HSS,,,,,,,
,,,64Z:A:402,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,64Z:E:402,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,64Z:D:403,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,PG0:B:401,invalid,,,,,COCCOCCO,
,,,PG0:D:402,invalid,,,,,COCCOCCO,
,,,PG0:D:401,invalid,,,,,COCCOCCO,
,,,PG0:A:401,invalid,,,,,COCCOCCO,
,,,PG0:E:401,invalid,,,,,COCCOCCO,
,,,650:B:402,valid,,,,,C/C=C(C)/CCC=C(C)C,
,,,650:C:401,valid,,,,,C/C=C(C)/CCC=C(C)C,
2.4.2.6,,,,,,,,,
,Family. Representative Entry is ,2F67,,,,,,,
,,,12B:A:382,valid,,,,,c1cc2cccc3c2c(c1)C(=O)N3,
,,,12B:B:372,valid,,,,,c1cc2cccc3c2c(c1)C(=O)N3,
,,,GOL:A:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:382,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:381,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:371,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1S2D,,,,,,,
,,,ADE:A:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:C:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,1S2I,,,,,,,
,,,BP1:A:1245,valid,,,,,c1[nH]c2c(n1)ncnc2Br,
,,,BP1:B:2245,valid,,,,,c1[nH]c2c(n1)ncnc2Br,
,,,BP1:C:3245,valid,,,,,c1[nH]c2c(n1)ncnc2Br,
,,1S2G,,,,,,,
,,,3D1:A:1168,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:B:1169,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,,3D1:C:1170,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N,
,,1S3F,,,,,,,
,,,SNI:A:745,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se],
,,,SNI:B:746,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se],
,,,SNI:C:747,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=[Se],
,Family. Representative Entry is ,2F64,,,,,,,
,,,12Q:A:472,valid,,,,,CN1c2ccccc2C=CC1=O,
,,,12Q:B:471,valid,,,,,CN1c2ccccc2C=CC1=O,
,,,GOL:A:462,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:464,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:461,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1F8Y,,,,,,,
,,,5MD:A:158,valid,,,,,CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,5MD:B:2,valid,,,,,CN1C=C(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,Family. Representative Entry is ,2F2T,,,,,,,
,,,5IQ:A:463,valid,,,,,c1cc2cnccc2c(c1)N,
,,,5IQ:B:563,valid,,,,,c1cc2cnccc2c(c1)N,
,,,GOL:A:462,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:562,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:561,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:461,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2F62,,,,,,,
,,,12M:A:401,valid,,,,,CCc1ccccc1CO,
,,,12M:B:402,valid,,,,,CCc1ccccc1CO,
,,,GOL:A:462,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:463,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:289,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:361,invalid,,,,,[O-]S(=O)(=O)[O-],
1.5.1.11,,,,,,,,,
,Family. Representative Entry is ,3C7A,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,NAD:A:405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3C7D,,,,,,,
,,,NAD:B:405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PYR:B:406,valid,,,,,CC(=O)C(=O)O,
2.4.1.25,,,,,,,,,
,Family. Representative Entry is ,5CPS,,,,,,,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5CSY,,,,,,,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,BGC GLC GLC GLC:D:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC AC1 GLC GLC GLC:E:1,valid,,,,,O(C1C(CO)=CC([NH2+]C2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2C)C(O)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,5CQ1,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,BGC GLC:D:1,invalid,,,,,,
,,,BGC GLC:C:1,invalid,,,,,,
,,,GLC:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6LX2,,,,,,,
,,,CA:A:612,Part of Protein,,,,,[Ca+2],
,,,G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)OC5CO)OC4CO)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)CC(CO)O6)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,1K1Y,,,,,,,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,CA:A:1601,Part of Protein,,,,,[Ca+2],
,,,CA:B:1602,Part of Protein,,,,,[Ca+2],
,,,CA:B:1603,Part of Protein,,,,,[Ca+2],
,,,TRS:B:1604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GLC GLC AC1:C:1,valid,Ki,~,0.0006,M,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,Family. Representative Entry is ,1ESW,,,,,,,
,,,EDO:A:649,invalid,,,,,C(CO)O,
,,,EDO:A:650,invalid,,,,,C(CO)O,
,,,GLC GLC AC1:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,2OWW,,,,,,,
,,,G4D:A:2300,valid,,,,,C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO,
,,,GOL:A:2302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2303,invalid,,,,,C(C(CO)O)O,
,,,MLI:A:2301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GLC AC1:B:1,invalid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,Family. Representative Entry is ,4S3R,,,,,,,
,,,7SA:A:701,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3[C@@H]([C@H]([C@H](C=C3CO)N[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@H]([C@@H]([C@H]6O)O)O)CO)CO)C)O)O)CO)O)O)N[C@H]7C=C([C@H]([C@@H]([C@H]7O)O)O)CO,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,4S3Q,,,,,,,
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:C:703,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:C:702,invalid,,,,,[I-],
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,EDO:C:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1LWJ,,,,,,,
,,,ACG:A:989,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO,
,,,ACG:B:988,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O)CO,
,,,CA:A:883,Part of Protein,,,,,[Ca+2],
,,,CA:B:10,Part of Protein,,,,,[Ca+2],
2.7.1.127,,,,,,,,,
,Family. Representative Entry is ,2AQX,,,,,,,
,,,ATP:A:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:1600,Part of Protein,,,,,[Mg+2],
,,,MG:B:1601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1TZD,,,,,,,
,,,ADP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
1.3.99.-,,,,,,,,,
,Family. Representative Entry is ,6SD8,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:X:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3B96,,,,,,,
,,,FAD:A:616,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MYA:A:1,valid,,,,,CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4XVX,,,,,,,
,,,P6G FDA:B:401,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(CCOCCOCCOCCOCCOCCO)C3C(=O)NC(=O)N=C13)cc(C)c(C)c2)[O-],
,,,P33 FDA:A:401,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1C2=NC(=O)NC(=O)C2N(CCOCCOCCOCCOCCOCCOCCO)C=2C1=CC(=C)C(=C)C=2)[O-],
,Family. Representative Entry is ,4REP,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1RX0,,,,,,,
,,,2MC:C:400,valid,,,,,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,2MC:D:400,valid,,,,,CC(=C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACY:A:9005,invalid,,,,,CC(=O)O,
,,,ACY:B:9001,invalid,,,,,CC(=O)O,
,,,ACY:B:9006,invalid,,,,,CC(=O)O,
,,,ACY:C:9004,invalid,,,,,CC(=O)O,
,,,ACY:D:9002,invalid,,,,,CC(=O)O,
,,,ACY:D:9003,invalid,,,,,CC(=O)O,
,,,ACY:D:9007,invalid,,,,,CC(=O)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,EDO:B:2003,invalid,,,,,C(CO)O,
,,,EDO:B:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2006,invalid,,,,,C(CO)O,
,,,EDO:B:2007,invalid,,,,,C(CO)O,
,,,EDO:C:2002,invalid,,,,,C(CO)O,
,,,EDO:C:2005,invalid,,,,,C(CO)O,
,,,EDO:C:2008,invalid,,,,,C(CO)O,
,,,EDO:D:2009,invalid,,,,,C(CO)O,
,,,EDO:D:2010,invalid,,,,,C(CO)O,
,,,FAD:A:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:399,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.4.21.117,,,,,,,,,
,Family. Representative Entry is ,5FAH,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,5VT:A:302,valid,ic50,=,0.7,uM,COc1ccc(cc1)CCNC(=O)[C@@H]2CCCN2C(=O)NCc3cccc4c3cccc4,
,,5Y9L,,,,,,,
,,,8R3:A:301,valid,ic50,=,1.9,uM,CN(C)/N=C1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,5YJK,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,8VX:A:301,valid,ic50,=,0.82,uM,CN(C)/N=C1/CN(C(=O)[C@@H](CN1)Cc2cc(ccc2OC)Cl)CC(=O)Nc3cccc(c3)S(=O)(=O)C,
,Family. Representative Entry is ,5ZFI,,,,,,,
,,,9C9:A:301,valid,ic50,=,1.2,uM,Cn1cc(cn1)c2cccc(c2)NC(=O)CN3C/C(=N/N(C)C)/NC[C@H](C3=O)Cc4c(cccc4Cl)Cl,
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6AHS,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,9YO:A:301,valid,ic50,=,1.5,uM,Cc1ccc2c(c1)c(cn2S(=O)(=O)c3ccccc3Cl)[C@@H]4CNC(=N4)C,
2.4.2.22,,,,,,,,,
,Family. Representative Entry is ,6W1I,,,,,,,
,,,G4P:A:203,valid,Kd,=,0.95,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:C:203,valid,Kd,=,0.95,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:B:203,valid,Kd,=,0.95,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:D:203,valid,Kd,=,0.95,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NA:C:201,Part of Protein,,,,,[Na+],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,NA:D:202,Part of Protein,,,,,[Na+],
,,,NA:D:201,Part of Protein,,,,,[Na+],
,,1Y0B,,,,,,,
,,,G4P:A:888,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:B:888,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:C:888,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G4P:D:888,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,NA:A:886,Part of Protein,,,,,[Na+],
,,,NA:A:887,Part of Protein,,,,,[Na+],
,,,NA:B:886,Part of Protein,,,,,[Na+],
,,,NA:B:887,Part of Protein,,,,,[Na+],
,,,NA:C:886,Part of Protein,,,,,[Na+],
,,,NA:C:887,Part of Protein,,,,,[Na+],
,,,NA:D:886,Part of Protein,,,,,[Na+],
,,,NA:D:887,Part of Protein,,,,,[Na+],
,,2FXV,,,,,,,
,,,5GP:A:200,valid,Kd,=,4.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:201,valid,Kd,=,4.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4JLS,,,,,,,
,,,3ZE:H:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:B:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:C:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:A:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:I:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:J:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:D:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,,3ZE:E:201,valid,Ki,=,2.2,uM,c1nc2c(n1[C@H]3CN(C[C@H]3O)C(=O)CP(=O)(O)O)N=C(NC2=O)N,
,,1A96,,,,,,,
,,,BO3:A:306,invalid,,,,,B(O)(O)O,
,,,BO3:D:305,invalid,,,,,B(O)(O)O,
,,,MG:B:308,invalid,,,,,[Mg+2],
,,,MG:C:307,invalid,,,,,[Mg+2],
,,,PCP:B:301,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:C:302,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,XAN:B:304,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=O)N2,
,,,XAN:C:303,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=O)N2,
,,1A95,,,,,,,
,,,BO3:A:306,invalid,,,,,B(O)(O)O,
,,,BO3:D:305,invalid,,,,,B(O)(O)O,
,,,GUN:B:304,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:303,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,MG:B:308,invalid,,,,,[Mg+2],
,,,MG:C:307,invalid,,,,,[Mg+2],
,,,PCP:B:301,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
,,,PCP:C:302,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O,
2.6.1.1,,,,,,,,,
,Family. Representative Entry is ,1TOI,,,,,,,
,,,HCI:A:410,valid,Kd,=,0.09,mM,c1ccc(cc1)CCC(=O)O,
,,1X2A,,,,,,,
,,,PDG:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:B:1413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,1CZE,,,,,,,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SIN:A:414,valid,Kd,=,2.4,mM,C(CC(=O)O)C(=O)O,
,,1AHX,,,,,,,
,,,HCI:A:411,valid,Kd,=,120,uM,c1ccc(cc1)CCC(=O)O,
,,,HCI:B:411,valid,Kd,=,120,uM,c1ccc(cc1)CCC(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,3PAA,,,,,,,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,PJ7 GOL:A:500,Part of Protein,,,,,,
,,,PMP:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QPG,,,,,,,
,,,3QP:A:422,valid,,,,,Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O,
,,,CL:A:421,invalid,,,,,[Cl-],
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QIT,,,,,,,
,,,MAE:A:411,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2QBT,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:700,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PSZ:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ASC,,,,,,,
,,,NPL:A:409,valid,,,,,Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O,
,,1ASA,,,,,,,
,,,MAE:A:410,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:409,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1ARH,,,,,,,
,,,PPD:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O,
,,,PPD:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O,
,,1CZC,,,,,,,
,,,GUA:A:414,valid,Kd,=,1.5,mM,C(CC(=O)O)CC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1X29,,,,,,,
,,,PMG:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O,
,,,PMG:B:1413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CCC(=O)O)C(=O)O)O,
,,1QIS,,,,,,,
,,,MAE:A:411,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1AMQ,,,,,,,
,,,PMP:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,4A00,,,,,,,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1398,invalid,,,,,C(COCCO)O,
,,,PEG:A:1399,invalid,,,,,C(COCCO)O,
,,,PP3:A:1397,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,,1IX7,,,,,,,
,,,MAE:A:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1AMR,,,,,,,
,,,MAE:A:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PMP:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1TOK,,,,,,,
,,,MAE:A:410,valid,Kd,=,3.4,mM,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:410,valid,Kd,=,3.4,mM,C(=C/C(=O)O)/C(=O)O,
,,1ASM,,,,,,,
,,,MAE:A:411,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:411,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,5VWQ,,,,,,,
,,,PMP:G:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:J:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1AHG,,,,,,,
,,,TYR PLP:B:501,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])Cc2ccc(O)cc2)c(O)c(C)nc1)([O-])[O-],
,,,TYR PLP:A:501,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])Cc2ccc(O)cc2)c(O)c(C)nc1)([O-])[O-],
,,5VWR,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PL6:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,1AHF,,,,,,,
,,,IOP:A:411,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCC(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:412,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QB2,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:900,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:700,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PSZ:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZZK,,,,,,,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1406,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:1397,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PA9,,,,,,,
,,,GOL:A:397,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,PJ7:A:500,Part of Protein,,,,,c1c(coc1C(=O)O)N,
,,,PMP:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B4X,,,,,,,
,,,MAE:A:410,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:458,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1X28,,,,,,,
,,,PGU:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:B:1413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,1YOO,,,,,,,
,,,IVA:A:414,valid,,,,,CC(C)CC(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1TOJ,,,,,,,
,,,HCI:A:410,valid,Kd,=,0.41,mM,c1ccc(cc1)CCC(=O)O,
,,1SPA,,,,,,,
,,,NPL:A:413,valid,,,,,Cc1c(c(c(c[n+]1C)COP(=O)(O)O)CN)O,
,,2Q7W,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:811,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:700,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PSZ:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TOG,,,,,,,
,,,HCI:A:410,valid,Kd,=,0.6,mM,c1ccc(cc1)CCC(=O)O,
,,,HCI:B:410,valid,Kd,=,0.6,mM,c1ccc(cc1)CCC(=O)O,
,,4DBC,,,,,,,
,,,3QP:A:506,valid,,,,,Cc1ccc(c(c1O)/C=N/[C@@H](CC(=O)O)C(=O)O)COP(=O)(O)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AIA,,,,,,,
,,,PMP:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1ART,,,,,,,
,,,PLP 0A0:A:413,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])(CC(=O)[O-])C)c(O)c(C)nc1)([O-])[O-],
,,1CQ7,,,,,,,
,,,PY5:A:413,valid,,,,,CCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,1ASD,,,,,,,
,,,MAE:A:410,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MPL:A:409,invalid,,,,,Cc1c(c(c(c[n+]1C)COP(=O)(O)O)C=O)O,
,,1C9C,,,,,,,
,,,PP3:A:413,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O)O)O,
,,1CQ8,,,,,,,
,,,PY6:A:413,valid,,,,,CCCC[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O,
,,2QA3,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:700,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PSZ:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QIR,,,,,,,
,,,MAE:A:411,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,1ARG,,,,,,,
,,,PPD:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O,
,,,PPD:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O,
,,1AIC,,,,,,,
,,,PMP:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AHY,,,,,,,
,,,MAE:A:411,valid,Kd,=,440,uM,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:411,valid,Kd,=,440,uM,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:410,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2QB3,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:700,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PSZ:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O)O)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3PD6,,,,,,,
,,,GOL:A:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:434,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:435,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:436,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1,invalid,,,,,C(C(CO)O)O,
,,,KYN:B:1,valid,,,,,c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)N,
,,,PMP:A:1,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:1,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,5IWQ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,FLC:B:502,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,1OXO,,,,,,,
,,,IK2:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,IK2:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,1MAP,,,,,,,
,,,KET:A:412,valid,,,,,Cc1c(c(c(c[nH+]1)COP(=O)(O)O)C=NC(CC(=O)O)C(=O)O)O,
,,1AKC,,,,,,,
,,,PPE:A:411,valid,,,,,Cc1c(c(c(c[nH+]1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,1AMA,,,,,,,
,,,PLA:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O,
,,1AKB,,,,,,,
,,,PPD:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CC(=O)O)C(=O)O)O,
,,1IVR,,,,,,,
,,,CBA:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@]([C@H](C(=O)O)O)(C(=O)O)O)O,
,,1AKA,,,,,,,
,,,PLP:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:B:411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1MAQ,,,,,,,
,,,PGU:A:412,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,9AAT,,,,,,,
,,,PMP:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,1OXP,,,,,,,
,,,IK2:A:411,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,Family. Representative Entry is ,6F77,,,,,,,
,,,PLP:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1GCK,,,,,,,
,,,ASP PLP:A:414,valid,,,,,P(=O)(OCc1c(C[N-]C(C(=O)[O-])CC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,ASP PLP:B:914,valid,,,,,P(=O)(OCc1c(C[N-]C(C(=O)[O-])CC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,Family. Representative Entry is ,2CST,,,,,,,
,,,MAE:A:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:414,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:413,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3PDB,,,,,,,
,,,BME:A:1,invalid,,,,,C(CS)O,
,,,BME:B:431,invalid,,,,,C(CS)O,
,,,BME:B:433,invalid,,,,,C(CS)O,
,,,BME:C:1,invalid,,,,,C(CS)O,
,,,BME:C:431,invalid,,,,,C(CS)O,
,,,BME:D:1,invalid,,,,,C(CS)O,
,,,BME:D:431,invalid,,,,,C(CS)O,
,,,GOL:A:431,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:433,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:434,invalid,,,,,C(C(CO)O)O,
,,,OAA:B:1,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,PMP:B:432,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:432,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,1YAA,,,,,,,
,,,MAE:A:901,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:B:902,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:C:903,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,MAE:D:904,valid,,,,,C(=C/C(=O)O)/C(=O)O,
,,,PLP:A:905,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:906,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:907,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:908,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,6DND,,,,,,,
,,,PLP:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PG4:A:501,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:501,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1AJS,,,,,,,
,,,PLA:A:415,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@](C)(CC(=O)O)C(=O)O)O,
,Family. Representative Entry is ,6F5V,,,,,,,
,,,CIT:C:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:503,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
3.1.8.1,,,,,,,,,
,Family. Representative Entry is ,1I0B,,,,,,,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:427,invalid,,,,,C(CO)O,
,,,EDO:A:430,invalid,,,,,C(CO)O,
,,,EDO:A:432,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,EDO:B:426,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,EDO:B:431,invalid,,,,,C(CO)O,
,,,FMT:A:369,invalid,,,,,C(=O)O,
,,,FMT:B:369,invalid,,,,,C(=O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,PEL:A:434,valid,,,,,c1ccc(cc1)CCO,
,,,PEL:B:433,valid,,,,,c1ccc(cc1)CCO,
,,2R1K,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,DPF:A:1,valid,,,,,CCOP(=O)(O)OCC,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,1EZ2,,,,,,,
,,,DII:A:1403,valid,,,,,CC(C)OP(=O)(C)OC(C)C,
,,,DII:B:2403,valid,,,,,CC(C)OP(=O)(C)OC(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,1JGM,,,,,,,
,,,CD:A:1,invalid,,,,,[Cd+2],
,,,CD:A:2,invalid,,,,,[Cd+2],
,,,CD:B:3,invalid,,,,,[Cd+2],
,,,CD:B:4,invalid,,,,,[Cd+2],
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:21,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:23,invalid,,,,,C(CO)O,
,,,EDO:A:25,invalid,,,,,C(CO)O,
,,,EDO:A:27,invalid,,,,,C(CO)O,
,,,EDO:A:28,invalid,,,,,C(CO)O,
,,,EDO:A:29,invalid,,,,,C(CO)O,
,,,EDO:A:366,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:16,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:20,invalid,,,,,C(CO)O,
,,,EDO:B:24,invalid,,,,,C(CO)O,
,,,EDO:B:26,invalid,,,,,C(CO)O,
,,,EDO:B:366,invalid,,,,,C(CO)O,
,,,EDO:B:367,invalid,,,,,C(CO)O,
,,,EDO:B:368,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,NA:A:5,Part of Protein,,,,,[Na+],
,,,NA:B:6,Part of Protein,,,,,[Na+],
,,,PEL:A:367,valid,,,,,c1ccc(cc1)CCO,
,,,PEL:A:368,valid,,,,,c1ccc(cc1)CCO,
,,,PEL:B:369,valid,,,,,c1ccc(cc1)CCO,
,,2D2H,,,,,,,
,,,CO:A:800,Part of Protein,,,,,[Co+2],
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:800,invalid,,,,,[Co+2],
,,,TZZ:A:901,valid,,,,,COP(=O)(OC)OC,
,,3C86,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,DPJ:A:1,valid,,,,,CCOP(=S)(O)OCC,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,1EYW,,,,,,,
,,,PEL:A:404,valid,,,,,c1ccc(cc1)CCO,
,,,TEN:A:403,valid,,,,,CCOP(=O)(OCC)OCC,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,3OOD,,,,,,,
,,,CO:A:800,Part of Protein,,,,,[Co+2],
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,EPL:A:702,valid,,,,,CCOP(=O)(OCC)Oc1ccc(cc1)OC,
,,3E3H,,,,,,,
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,CO:A:602,Part of Protein,,,,,[Co+2],
,,,CO:B:603,Part of Protein,,,,,[Co+2],
,,,CO:B:604,Part of Protein,,,,,[Co+2],
,,,EBP:A:702,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:701,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,3URQ,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:802,Part of Protein,,,,,[Co+2],
,,,CO:B:803,Part of Protein,,,,,[Co+2],
,,,CO:B:804,Part of Protein,,,,,[Co+2],
,,,IMD:A:903,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:904,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:906,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:905,invalid,,,,,c1c[nH+]c[nH]1,
,,,QMP:A:902,valid,,,,,CP(=O)(O)OC1CCCCC1,
,,,QMP:B:901,valid,,,,,CP(=O)(O)OC1CCCCC1,
,,3A3W,,,,,,,
,,,CO:A:800,Part of Protein,,,,,[Co+2],
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,EPL:A:701,valid,,,,,CCOP(=O)(OCC)Oc1ccc(cc1)OC,
,,1HZY,,,,,,,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:424,invalid,,,,,C(CO)O,
,,,FMT:A:369,invalid,,,,,C(=O)O,
,,,FMT:B:369,invalid,,,,,C(=O)O,
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,PEL:A:428,valid,,,,,c1ccc(cc1)CCO,
,,,PEL:B:427,valid,,,,,c1ccc(cc1)CCO,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,3CAK,,,,,,,
,,,BTB:A:906,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:905,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CO:A:4,Part of Protein,,,,,[Co+2],
,,,CO:A:5,Part of Protein,,,,,[Co+2],
,,,CO:B:1,Part of Protein,,,,,[Co+2],
,,,CO:B:2,Part of Protein,,,,,[Co+2],
,,,DPF:A:1,valid,,,,,CCOP(=O)(O)OCC,
,,,EFS:B:906,valid,,,,,CCOP(=O)(O)O,
,,1DPM,,,,,,,
,,,EBP:A:900,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:A:901,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:902,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:903,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,FMT:B:904,invalid,,,,,C(=O)O,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,2R1P,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,DPJ:A:1,valid,,,,,CCOP(=S)(O)OCC,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,1P6C,,,,,,,
,,,DII:A:7,valid,,,,,CC(C)OP(=O)(C)OC(C)C,
,,,DII:B:8,valid,,,,,CC(C)OP(=O)(C)OC(C)C,
,,,EBP:A:5,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:6,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,1I0D,,,,,,,
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:B:402,invalid,,,,,[Cd+2],
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,FMT:A:369,invalid,,,,,C(=O)O,
,,,FMT:B:369,invalid,,,,,C(=O)O,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,PEL:A:415,valid,,,,,c1ccc(cc1)CCO,
,,,PEL:B:414,valid,,,,,c1ccc(cc1)CCO,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,3UR5,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:802,Part of Protein,,,,,[Co+2],
,,,CO:B:803,Part of Protein,,,,,[Co+2],
,,,CO:B:804,Part of Protein,,,,,[Co+2],
,,,CO:B:805,Part of Protein,,,,,[Co+2],
,,,DPF:A:902,valid,,,,,CCOP(=O)(O)OCC,
,,,DPF:B:901,valid,,,,,CCOP(=O)(O)OCC,
,,2R1M,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,DPF:A:1,valid,,,,,CCOP(=O)(O)OCC,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,2D2G,,,,,,,
,,,CO:A:800,Part of Protein,,,,,[Co+2],
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:800,invalid,,,,,[Co+2],
,,,DZZ:A:901,valid,,,,,COP(=S)(O)OC,
,,1QW7,,,,,,,
,,,CO:A:601,Part of Protein,,,,,[Co+2],
,,,CO:A:602,Part of Protein,,,,,[Co+2],
,,,CO:B:603,Part of Protein,,,,,[Co+2],
,,,CO:B:604,Part of Protein,,,,,[Co+2],
,,,EBP:A:702,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:701,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:B:606,Part of Protein,,,,,[Na+],
,,2R1N,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,EPL:A:701,valid,,,,,CCOP(=O)(OCC)Oc1ccc(cc1)OC,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,2R1L,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,DPJ:A:1,valid,,,,,CCOP(=S)(O)OCC,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,FE2:A:800,Part of Protein,,,,,[Fe+2],
,,4NP7,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,DPJ:A:403,valid,,,,,CCOP(=S)(O)OCC,
,,,CO:A:402,Part of Protein,,,,,[Co+2],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1PSC,,,,,,,
,,,CD:A:801,invalid,,,,,[Cd+2],
,,,CD:A:802,invalid,,,,,[Cd+2],
,,,CD:B:803,invalid,,,,,[Cd+2],
,,,CD:B:804,invalid,,,,,[Cd+2],
,,,EBP:A:900,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:901,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,FMT:A:901,invalid,,,,,C(=O)O,
,,,FMT:B:902,invalid,,,,,C(=O)O,
,,1P6B,,,,,,,
,,,EBP:A:7,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EBP:B:8,valid,,,,,CCOP(=O)(Cc1ccc(cc1)C)OCC,
,,,EFS:B:9,valid,,,,,CCOP(=O)(O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3URB,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:802,Part of Protein,,,,,[Co+2],
,,,CO:B:803,Part of Protein,,,,,[Co+2],
,,,CO:B:804,Part of Protein,,,,,[Co+2],
,,,DPF:A:903,valid,,,,,CCOP(=O)(O)OCC,
,,,DPF:B:902,valid,,,,,CCOP(=O)(O)OCC,
,,,IMD:A:901,invalid,,,,,c1c[nH+]c[nH]1,
,,3URN,,,,,,,
,,,CO:A:801,Part of Protein,,,,,[Co+2],
,,,CO:A:802,Part of Protein,,,,,[Co+2],
,,,CO:B:803,Part of Protein,,,,,[Co+2],
,,,CO:B:804,Part of Protein,,,,,[Co+2],
,,,IMD:A:903,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:904,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:905,invalid,,,,,c1c[nH+]c[nH]1,
,,,QMP:A:902,valid,,,,,CP(=O)(O)OC1CCCCC1,
,,,QMP:B:901,valid,,,,,CP(=O)(O)OC1CCCCC1,
,Family. Representative Entry is ,4E3T,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,HLN:B:404,valid,,,,,CCCCCCP(=O)(O)Oc1ccc2ccccc2c1,
,Family. Representative Entry is ,2VC7,,,,,,,
,,,CO:A:1316,Part of Protein,,,,,[Co+2],
,,,CO:B:1316,Part of Protein,,,,,[Co+2],
,,,CO:C:1316,Part of Protein,,,,,[Co+2],
,,,CO:D:1316,Part of Protein,,,,,[Co+2],
,,,EDO:A:1318,invalid,,,,,C(CO)O,
,,,EDO:A:1320,invalid,,,,,C(CO)O,
,,,EDO:A:1322,invalid,,,,,C(CO)O,
,,,EDO:A:1327,invalid,,,,,C(CO)O,
,,,EDO:A:1330,invalid,,,,,C(CO)O,
,,,EDO:A:1331,invalid,,,,,C(CO)O,
,,,EDO:B:1318,invalid,,,,,C(CO)O,
,,,EDO:B:1319,invalid,,,,,C(CO)O,
,,,EDO:B:1320,invalid,,,,,C(CO)O,
,,,EDO:B:1324,invalid,,,,,C(CO)O,
,,,EDO:B:1326,invalid,,,,,C(CO)O,
,,,EDO:C:1318,invalid,,,,,C(CO)O,
,,,EDO:C:1321,invalid,,,,,C(CO)O,
,,,EDO:C:1322,invalid,,,,,C(CO)O,
,,,EDO:C:1323,invalid,,,,,C(CO)O,
,,,EDO:C:1326,invalid,,,,,C(CO)O,
,,,EDO:C:1328,invalid,,,,,C(CO)O,
,,,EDO:D:1318,invalid,,,,,C(CO)O,
,,,EDO:D:1319,invalid,,,,,C(CO)O,
,,,EDO:D:1322,invalid,,,,,C(CO)O,
,,,EDO:D:1323,invalid,,,,,C(CO)O,
,,,EDO:D:1325,invalid,,,,,C(CO)O,
,,,EDO:D:1326,invalid,,,,,C(CO)O,
,,,EDO:D:1327,invalid,,,,,C(CO)O,
,,,EDO:D:1328,invalid,,,,,C(CO)O,
,,,FE:A:1315,Part of Protein,,,,,[Fe+3],
,,,FE:B:1315,Part of Protein,,,,,[Fe+3],
,,,FE:C:1315,Part of Protein,,,,,[Fe+3],
,,,FE:D:1315,Part of Protein,,,,,[Fe+3],
,,,GOL:A:1317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1326,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1329,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1334,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1317,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1321,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1322,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1323,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1325,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1327,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1317,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1319,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1320,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1324,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1325,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1327,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1317,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1320,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1321,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1324,invalid,,,,,C(C(CO)O)O,
,,,HT5:A:1335,valid,Ki,=,432.7,uM,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:B:1328,valid,Ki,=,432.7,uM,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:C:1329,valid,Ki,=,432.7,uM,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:D:1329,valid,Ki,=,432.7,uM,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,4KF1,,,,,,,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:410,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:D:408,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:D:410,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,FE2:B:402,Part of Protein,,,,,[Fe+2],
,,,FE2:C:402,Part of Protein,,,,,[Fe+2],
,,,FE2:D:402,Part of Protein,,,,,[Fe+2],
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,HT5:C:403,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:A:403,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:B:403,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,HT5:D:403,valid,,,,,CCCCCCCCCC(=O)N[C@H]1CCSC1=O,
,,,CO:C:401,Part of Protein,,,,,[Co+2],
,,,CO:A:401,Part of Protein,,,,,[Co+2],
,,,CO:D:401,Part of Protein,,,,,[Co+2],
,,,CO:B:401,Part of Protein,,,,,[Co+2],
1.8.1.7,,,,,,,,,
,Family. Representative Entry is ,3L4N,,,,,,,
,,,GSH:A:1,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3SQP,,,,,,,
,,,3J8:A:900,valid,ic50,=,7,uM,CN1c2ccccc2N=C3C1=CC=CC3=O,
,,,3J8:B:900,valid,ic50,=,7,uM,CN1c2ccccc2N=C3C1=CC=CC3=O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:2196,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2198,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DJJ,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:A:481,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:482,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:485,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:486,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:487,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:3584,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3585,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3586,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3587,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3GRS,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:480,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1GRA,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:481,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:482,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NDP:A:480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1GRE,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:481,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:482,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:480,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1GRG,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:480,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5GRT,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TS4:A:17,valid,,,,,C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN,
,,3DJG,,,,,,,
,,,FAD:X:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NDP:X:483,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1GRF,,,,,,,
,,,ACM:A:481,invalid,,,,,CC(=O)N,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:480,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DK9,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1XAN,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HXP:A:1024,valid,,,,,c1cc2c(cc1O)Oc3cc(ccc3C2CCC(=O)O)O,
,,3DK4,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH GSH:A:481,valid,,,,,S(SCC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])CC(NC(=O)CCC([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-],
,,,NDP:A:480,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GH5,,,,,,,
,,,ELI:A:958,invalid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O,
,,,ELI:B:958,invalid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CCCCCC(=O)O,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:809,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:810,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:813,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:817,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:811,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:812,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:5703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:5706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1BWC,,,,,,,
,,,AJ3:A:4058,valid,,,,,C=CC[S@@](=O)C/C=C/S,
,,,CL:A:3000,invalid,,,,,[Cl-],
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1GRT,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1GRB,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:480,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NDP:A:483,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:A:481,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3DK8,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:481,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:482,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1GSN,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:1030,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:1031,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4GR1,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PO4:A:480,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RGS:A:481,valid,,,,,C(CNC(=O)[C@@H](CSSC[C@H](C(=O)NCC[C@@H](C(=O)O)N)NC(=O)CC(=O)O)NC(=O)CC(=O)O)[C@@H](C(=O)O)N,
,,1K4Q,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1DNC,,,,,,,
,,,FAD:A:499,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GSH:A:1029,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PO4:A:1030,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3GRT,,,,,,,
,,,FAD:A:479,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TS2:A:17,valid,,,,,C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2HQM,,,,,,,
,,,FAD:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:6001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6011,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6004,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:6010,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:3001,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:4001,invalid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NAG:A:1301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:5001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5002,invalid,,,,,[O-]P(=O)([O-])[O-],
3.2.1.58,,,,,,,,,
,Family. Representative Entry is ,1X39,,,,,,,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,IDE:A:1001,valid,Ki,=,0.6,nM,c1ccc(cc1)NCc2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,NAG FUC NAG BMA XYP:D:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA XYP MAN NAG:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J8V,,,,,,,
,,,LAM:A:621,valid,Ki,=,243.2,uM,c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,
,,,NAG FUC NAG BMA MAN NAG:C:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1IEX,,,,,,,
,,,NAG:A:610,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA MAN NAG:B:1,Part of Protein,,,,,,
,,,SGC BGC:C:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,6MI1,,,,,,,
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,U1Y BGC:B:1,valid,Kd,=,0.000000064,M,S(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,1X38,,,,,,,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,IDD:A:1001,valid,Ki,=,1.7,nM,c1ccc(cc1)c2cn3c(n2)[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O,
,,,NAG FUC NAG BMA XYP:D:1,Part of Protein,,,,,,
,,,NAG FUC NAG BMA XYP MAN NAG:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1EX1,,,,,,,
,,,GLC:A:617,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:610,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FCA NAG MAN MAN NAG:B:1,Part of Protein,,,,,,
,,6MD6,,,,,,,
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,1PE:A:720,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:719,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:721,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:717,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:722,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:718,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,U2A BGC:B:1,valid,Ki,=,0.00255,M,S(C1C(O)C(O)C(CO)OC1OC)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4M82,,,,,,,
,,,BGC:A:502,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,NGB:A:501,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,
,,2PB1,,,,,,,
,,,G2F:A:401,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,NFG:A:402,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)F,
,,2PC8,,,,,,,
,,,BGC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3N9K,,,,,,,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,4M81,,,,,,,
,,,GLF:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)F)O)O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,PNW:A:502,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O,
,,1EQC,,,,,,,
,,,CTS:A:401,valid,,,,,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,Family. Representative Entry is ,3EQO,,,,,,,
,,,LGC:A:757,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:757,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,NAG NAG BMA:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:756,Part of Protein,,,,,[Zn+2],
,,,ZN:B:756,Part of Protein,,,,,[Zn+2],
1.4.1.20,,,,,,,,,
,Family. Representative Entry is ,1BW9,,,,,,,
,,,EDO:B:871,invalid,,,,,C(CO)O,
,,,EDO:B:873,invalid,,,,,C(CO)O,
,,,EDO:B:874,invalid,,,,,C(CO)O,
,,,IPA:B:860,invalid,,,,,CC(C)O,
,,,IPA:B:861,invalid,,,,,CC(C)O,
,,,IPA:B:862,invalid,,,,,CC(C)O,
,,,IPA:B:863,invalid,,,,,CC(C)O,
,,,K:B:850,Part of Protein,,,,,[K+],
,,,K:B:853,Part of Protein,,,,,[K+],
,,,NA:B:851,Part of Protein,,,,,[Na+],
,,,NA:B:852,Part of Protein,,,,,[Na+],
,,,NAD:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:760,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:880,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PPY:A:361,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:761,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,Family. Representative Entry is ,1C1X,,,,,,,
,,,HFA:A:361,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)O,
,,,HFA:B:761,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)O,
,,,IPA:B:860,invalid,,,,,CC(C)O,
,,,IPA:B:861,invalid,,,,,CC(C)O,
,,,IPA:B:862,invalid,,,,,CC(C)O,
,,,K:A:850,Part of Protein,,,,,[K+],
,,,K:A:853,Part of Protein,,,,,[K+],
,,,K:B:851,Part of Protein,,,,,[K+],
,,,K:B:852,Part of Protein,,,,,[K+],
,,,NA:A:855,Part of Protein,,,,,[Na+],
,,,NAD:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:760,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:880,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1C1D,,,,,,,
,,,IPA:B:860,invalid,,,,,CC(C)O,
,,,K:A:850,Part of Protein,,,,,[K+],
,,,K:A:853,Part of Protein,,,,,[K+],
,,,K:B:851,Part of Protein,,,,,[K+],
,,,K:B:852,Part of Protein,,,,,[K+],
,,,NA:B:854,Part of Protein,,,,,[Na+],
,,,NA:B:855,Part of Protein,,,,,[Na+],
,,,PHE:A:361,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:761,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PO4:B:880,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAI:A:360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:760,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1BXG,,,,,,,
,,,HCI:A:361,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,,HCI:B:761,valid,,,,,c1ccc(cc1)CCC(=O)O,
,,,K:B:850,Part of Protein,,,,,[K+],
,,,NAD:A:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:760,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:B:900,invalid,,,,,[O-]P(=O)([O-])[O-],
3.2.2.1,,,,,,,,,
,Family. Representative Entry is ,3EPW,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,JMQ:A:1002,valid,Ki,=,4.4,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,JMQ:B:1003,valid,Ki,=,4.4,nM,c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,3B9G,,,,,,,
,,,CA:A:318,Part of Protein,,,,,[Ca+2],
,,,CA:B:318,Part of Protein,,,,,[Ca+2],
,,,IMH:A:501,valid,Ki,=,19,uM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:B:502,valid,Ki,=,19,uM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,NA:A:319,Part of Protein,,,,,[Na+],
,,2FF1,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,IMH:A:401,valid,Ki,=,6.2,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:B:402,valid,Ki,=,6.2,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,1KIC,,,,,,,
,,,CA:A:328,Part of Protein,,,,,[Ca+2],
,,,CA:B:328,Part of Protein,,,,,[Ca+2],
,,,NI:A:701,Part of Protein,,,,,[Ni+2],
,,,NOS:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:A:803,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:A:804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,,NOS:B:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,1R4F,,,,,,,
,,,AD3:B:330,valid,,,,,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CA:A:328,Part of Protein,,,,,[Ca+2],
,,,CA:B:329,Part of Protein,,,,,[Ca+2],
,,1KIE,,,,,,,
,,,AD3:A:801,valid,,,,,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AD3:B:802,valid,,,,,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CA:A:328,Part of Protein,,,,,[Ca+2],
,,,CA:B:328,Part of Protein,,,,,[Ca+2],
,,,NI:A:701,Part of Protein,,,,,[Ni+2],
,,3EPX,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,IMQ:A:1002,valid,Ki,=,10.8,nM,c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,IMQ:B:1003,valid,Ki,=,10.8,nM,c1cc2cccnc2c(c1)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,1HP0,,,,,,,
,,,AD3:A:1315,valid,Ki,=,0.2,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AD3:B:1316,valid,Ki,=,0.2,uM,c1cnc(c2c1n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CA:A:328,Part of Protein,,,,,[Ca+2],
,,,CA:B:328,Part of Protein,,,,,[Ca+2],
,,2FF2,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,IMH:A:501,valid,Ki,=,6.2,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,IMH:B:502,valid,Ki,=,6.2,nM,c1c(c2c([nH]1)c(ncn2)O)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,NI:A:500,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,2MAS,,,,,,,
,,,CA:A:316,Part of Protein,,,,,[Ca+2],
,,,CA:B:316,Part of Protein,,,,,[Ca+2],
,,,CA:C:316,Part of Protein,,,,,[Ca+2],
,,,CA:D:316,Part of Protein,,,,,[Ca+2],
,,,PIR:A:400,valid,Kd,=,30,nM,c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N,
,,,PIR:B:400,valid,Kd,=,30,nM,c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N,
,,,PIR:C:400,valid,Kd,=,30,nM,c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N,
,,,PIR:D:400,valid,Kd,=,30,nM,c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N,
,Family. Representative Entry is ,4I71,,,,,,,
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:404,Part of Protein,,,,,[Ni+2],
,,,NI:A:406,Part of Protein,,,,,[Ni+2],
,,,NI:A:407,Part of Protein,,,,,[Ni+2],
,,,AGV:A:401,valid,Ki,=,18,nM,c1c(c2c([nH]1)c(ncn2)N)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,TRS:A:405,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,4I74,,,,,,,
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:404,Part of Protein,,,,,[Ni+2],
,,,NI:A:406,Part of Protein,,,,,[Ni+2],
,,,NI:A:410,Part of Protein,,,,,[Ni+2],
,,,NI:A:407,Part of Protein,,,,,[Ni+2],
,,,NI:A:405,Part of Protein,,,,,[Ni+2],
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,TRS:A:409,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MBY:A:408,valid,,,,,c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,4I73,,,,,,,
,,,NI:C:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:404,Part of Protein,,,,,[Ni+2],
,,,NI:C:406,invalid,,,,,[Ni+2],
,,,NI:D:403,Part of Protein,,,,,[Ni+2],
,,,NI:C:405,Part of Protein,,,,,[Ni+2],
,,,NI:B:403,Part of Protein,,,,,[Ni+2],
,,,NI:C:407,Part of Protein,,,,,[Ni+2],
,,,NI:C:408,invalid,,,,,[Ni+2],
,,,NI:A:405,invalid,,,,,[Ni+2],
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:406,Part of Protein,,,,,[Ni+2],
,,,NI:C:404,Part of Protein,,,,,[Ni+2],
,,,NI:A:407,invalid,,,,,[Ni+2],
,,,NI:D:405,invalid,,,,,[Ni+2],
,,,NI:B:404,Part of Protein,,,,,[Ni+2],
,,,NI:A:408,Part of Protein,,,,,[Ni+2],
,,,NI:D:404,Part of Protein,,,,,[Ni+2],
,,,MBY:B:402,valid,Ki,=,190,nM,c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,MBY:A:402,valid,Ki,=,190,nM,c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,MBY:C:402,valid,Ki,=,190,nM,c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,MBY:D:402,valid,Ki,=,190,nM,c1c(c2c(s1)c(ncn2)O)CN3C[C@@H]([C@@H]([C@H]3CO)O)O,
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,4I72,,,,,,,
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:404,Part of Protein,,,,,[Ni+2],
,,,NI:B:403,Part of Protein,,,,,[Ni+2],
,,,NI:B:405,Part of Protein,,,,,[Ni+2],
,,,NI:B:404,Part of Protein,,,,,[Ni+2],
,,,NI:B:406,Part of Protein,,,,,[Ni+2],
,,,NI:A:405,Part of Protein,,,,,[Ni+2],
,,,TRS:A:407,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:408,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:406,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,UA2:A:402,valid,Ki,=,0.9,nM,c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
,,,UA2:B:402,valid,Ki,=,0.9,nM,c1c(c2c([nH]1)c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](N3)CO)O)O,
3.3.2.6,,,,,,,,,
,Family. Representative Entry is ,2VJ8,,,,,,,
,,,ACT:A:1615,invalid,,,,,CC(=O)[O-],
,,,HA2:A:1616,valid,Ki,=,0.002,uM,c1ccc(cc1)COc2ccc(cc2)C[C@@H](CN(C(=O)CCCCC(=O)O)O)N,
,,,IMD:A:1614,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1612,invalid,,,,,[Yb+3],
,,,YB:A:1613,invalid,,,,,[Yb+3],
,,,YB:A:1617,invalid,,,,,[Yb+3],
,,,ZN:A:1611,Part of Protein,,,,,[Zn+2],
,,3FTW,,,,,,,
,,,11X:A:710,valid,,,,,c1ccc(cc1)NCc2cccnc2,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FUK,,,,,,,
,,,58Z:A:710,valid,ic50,=,966,uM,c1cc2c(cc[nH]2)cc1OCCN3CCC(CC3)C(=O)O,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FU6,,,,,,,
,,,80G:A:710,valid,ic50,=,106,uM,c1cc(sc1)c2ccc(cc2)CN,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,6END,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,IMD:A:705,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:706,invalid,,,,,c1c[nH+]c[nH]1,
,,,BGK:A:707,valid,ic50,=,0.133,uM,c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O,
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,3FUI,,,,,,,
,,,812:A:710,valid,ic50,=,0.157,uM,c1ccc(cc1)CNc2ccc(cc2)OC[C@H]3CCCN3,
,,,IMD:A:801,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:701,invalid,,,,,[Yb+3],
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,ZN:A:704,Part of Protein,,,,,[Zn+2],
,,3FU5,,,,,,,
,,,492:A:710,valid,ic50,=,75.2,uM,c1cc(sc1)c2ccc(s2)CN,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,2R59,,,,,,,
,,,ACY:A:702,invalid,,,,,CC(=O)O,
,,,PH0:A:706,valid,Ki,=,6.5,nM,c1ccc(cc1)C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,,YB:A:705,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,5N3W,,,,,,,
,,,IMD:A:703,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,8KW:A:704,valid,ic50,=,0.5,uM,COc1cc(cc(c1)O)CCc2ccccc2O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,YB:A:702,invalid,,,,,[Yb+3],
,,3CHP,,,,,,,
,,,4BO:A:901,valid,ic50,=,5400,nM,c1ccc(cc1)COc2ccc(cc2)NC(=O)[C@H](CC(=O)O)N,
,,,ACT:A:820,invalid,,,,,CC(=O)[O-],
,,,IMD:A:850,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:801,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,4L2L,,,,,,,
,,,1V6:A:702,valid,Ki,=,2.3,uM,c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N,
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:705,invalid,,,,,[Yb+3],
,,,YB:A:706,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:A:709,invalid,,,,,CC(=O)[O-],
,,,ACT:A:708,invalid,,,,,CC(=O)[O-],
,,1HS6,,,,,,,
,,,ACT:A:1101,invalid,,,,,CC(=O)[O-],
,,,BES:A:901,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,IMD:A:1001,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:801,invalid,,,,,[Yb+3],
,,,YB:A:802,invalid,,,,,[Yb+3],
,,,YB:A:803,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,6ENB,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,IMD:A:705,invalid,,,,,c1c[nH+]c[nH]1,
,,,PRO GLY PRO:B:1,valid,,,,,O=C(CNC(=O)C1[NH2+]CCC1)N1C(C(=O)[O-])CCC1,
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,3B7T,,,,,,,
,,,ARG ALA ARG:B:702,valid,,,,,O=C(NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)C([NH3+])CCCNC(=[NH2+])N,
,,,IMD:A:704,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3B7R,,,,,,,
,,,BIR:L:1001,valid,Ki,=,20,nM,C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@](=O)([C@H](C)N)O,
,,,IMD:L:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:L:801,invalid,,,,,[Yb+3],
,,,ZN:L:701,Part of Protein,,,,,[Zn+2],
,,3FUN,,,,,,,
,,,798:A:710,valid,ic50,=,0.189,uM,c1cc(ccc1c2ccsc2)C(=O)c3ccc(cc3)OC[C@H]4CCCN4,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FTX,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,BES:A:720,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,RE2:A:710,valid,,,,,c1cc(ccc1CCc2cc(cc(c2)O)O)O,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,5NI4,,,,,,,
,,,IMD:A:704,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:703,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:703,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:704,invalid,,,,,c1c[nH+]c[nH]1,
,,,DJ3:A:705,valid,,,,,CCCCC/C=CC/C=CC=CC=C[C@H]1[C@@H](O1)CCCC(=O)O,
,,,DJ3:B:705,valid,,,,,CCCCC/C=CC/C=CC=CC=C[C@H]1[C@@H](O1)CCCC(=O)O,
,,,DJ3:C:703,valid,,,,,CCCCC/C=CC/C=CC=CC=C[C@H]1[C@@H](O1)CCCC(=O)O,
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3CHR,,,,,,,
,,,4BS:A:613,valid,ic50,=,61,nM,c1ccc(cc1)COc2ccc(cc2)NC(=O)CCCN,
,,,IMD:A:614,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:612,invalid,,,,,[Yb+3],
,,,ZN:A:611,Part of Protein,,,,,[Zn+2],
,,3B7S,,,,,,,
,,,ACY:A:804,invalid,,,,,CC(=O)O,
,,,ARG SER ARG:B:800,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,YB:A:803,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FUH,,,,,,,
,,,5H1:A:710,valid,,,,,c1cc2c(cc[nH]2)cc1O,
,,,BES:A:720,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,IMD:A:801,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,5AEN,,,,,,,
,,,DP8:A:611,valid,ic50,=,0.06,uM,CN(C)CCOc1ccc(cc1)Oc2ccccc2,
,,,YB:A:616,invalid,,,,,[Yb+3],
,,,YB:A:614,invalid,,,,,[Yb+3],
,,,YB:A:615,invalid,,,,,[Yb+3],
,,,YB:A:613,invalid,,,,,[Yb+3],
,,,IMD:A:617,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:618,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:612,Part of Protein,,,,,[Zn+2],
,,4MS6,,,,,,,
,,,28T:A:702,valid,,,,,C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O,
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:707,invalid,,,,,[Yb+3],
,,,YB:A:705,invalid,,,,,[Yb+3],
,,,YB:A:706,invalid,,,,,[Yb+3],
,,,ACY:A:709,invalid,,,,,CC(=O)O,
,,,ACY:A:708,invalid,,,,,CC(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FUE,,,,,,,
,,,11S:A:710,valid,ic50,=,1510,uM,c1cc2c(cc[nH]2)cc1Cl,
,,,BES:A:720,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,IMD:A:801,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FH8,,,,,,,
,,,27P:A:611,valid,ic50,=,180,nM,c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3,
,,,ACT:A:1006,invalid,,,,,CC(=O)[O-],
,,,IMD:A:1004,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1002,invalid,,,,,[Yb+3],
,,,YB:A:1003,invalid,,,,,[Yb+3],
,,,YB:A:1005,invalid,,,,,[Yb+3],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,5BPP,,,,,,,
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,A4Z:A:706,valid,ic50,=,15.86,uM,CCCCOc1ccc(cc1)CC(=O)NO,
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FTZ,,,,,,,
,,,848:A:710,valid,,,,,c1ccc(c(c1)N)OCc2cccnc2,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,IMD:A:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:805,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,5NI6,,,,,,,
,,,DJ3:A:705,valid,,,,,CCCCC/C=CC/C=CC=CC=C[C@H]1[C@@H](O1)CCCC(=O)O,
,,,ACY:A:704,invalid,,,,,CC(=O)O,
,,,ACY:A:706,invalid,,,,,CC(=O)O,
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FTV,,,,,,,
,,,11X:A:710,valid,ic50,=,1667,uM,c1ccc(cc1)NCc2cccnc2,
,,,IMD:A:801,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3CHQ,,,,,,,
,,,4BQ:A:901,valid,ic50,=,20,nM,c1ccc(cc1)COc2ccc(cc2)NC(=O)CC[C@@H](C(=O)O)N,
,,,IMD:A:850,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:801,invalid,,,,,[Yb+3],
,,,YB:A:802,invalid,,,,,[Yb+3],
,,,YB:A:803,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FUL,,,,,,,
,,,52D:A:710,valid,ic50,=,199,uM,c1cc(ccc1C(=O)c2ccncc2)OCCN3CCCC3,
,,,IMD:A:801,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FTS,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,STL:A:710,valid,ic50,=,212,uM,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FHE,,,,,,,
,,,28P:A:612,valid,,,,,C[N@@](CCCOc1ccc(cc1)Cc2ccccc2)CCC(=O)O,
,,,ACT:A:1005,invalid,,,,,CC(=O)[O-],
,,,IMD:A:1004,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1002,invalid,,,,,[Yb+3],
,,,YB:A:1003,invalid,,,,,[Yb+3],
,,,YB:A:611,invalid,,,,,[Yb+3],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,6ENC,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,BGW:A:707,valid,ic50,=,0.019,uM,c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC4)C(=O)O,
,,,IMD:A:705,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:706,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,3FUM,,,,,,,
,,,80A:A:710,valid,ic50,=,170,uM,c1cc(ccc1[C@H](c2ccncc2)O)OCCN3CCCC3,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3B7U,,,,,,,
,,,ACY:X:706,invalid,,,,,CC(=O)O,
,,,IMD:X:705,invalid,,,,,c1c[nH+]c[nH]1,
,,,KEL:X:707,valid,,,,,C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO,
,,,YB:X:702,invalid,,,,,[Yb+3],
,,,YB:X:703,invalid,,,,,[Yb+3],
,,,YB:X:704,invalid,,,,,[Yb+3],
,,,ZN:X:701,Part of Protein,,,,,[Zn+2],
,,3FTY,,,,,,,
,,,3IP:A:710,valid,ic50,=,619,uM,c1ccc(cc1)COc2cccnc2N,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,IMD:A:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:805,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FTU,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,RE2:A:710,valid,ic50,=,247,uM,c1cc(ccc1CCc2cc(cc(c2)O)O)O,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FH7,,,,,,,
,,,25P:A:612,valid,Kd,=,25,nM,c1cc(ccc1OC[C@@H]2CCC[N@@]2CCCC(=O)[O-])Oc3ccc(cc3)Cl,
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1004,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1002,invalid,,,,,[Yb+3],
,,,YB:A:1003,invalid,,,,,[Yb+3],
,,,YB:A:1005,invalid,,,,,[Yb+3],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3FUJ,,,,,,,
,,,00G:A:710,valid,ic50,=,234,uM,c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FU0,,,,,,,
,,,22F:A:710,valid,ic50,=,5308,uM,c1cc(ccc1C(=O)c2ccncc2)F,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FH5,,,,,,,
,,,24P:A:611,valid,ic50,=,87,nM,c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3,
,,,ACT:A:1005,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:1004,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1007,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1002,invalid,,,,,[Yb+3],
,,,YB:A:1003,invalid,,,,,[Yb+3],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,3CHO,,,,,,,
,,,4BG:A:901,valid,ic50,=,280,nM,c1ccc(cc1)COc2ccc(cc2)NC(=O)CN,
,,,ACT:A:820,invalid,,,,,CC(=O)[O-],
,,,YB:A:801,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FUD,,,,,,,
,,,692:A:710,valid,ic50,>,2000,uM,CNCc1ccccc1c2cccs2,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,IMD:A:802,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,3FU3,,,,,,,
,,,92G:A:710,valid,ic50,=,1443,uM,c1cc(ccc1c2csc(n2)N)O,
,,,92G:A:720,valid,ic50,=,1443,uM,c1cc(ccc1c2csc(n2)N)O,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:804,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,4MKT,,,,,,,
,,,28T:A:702,invalid,,,,,C1C[C@H](NC1)C(=O)CCC(=O)N2CCC[C@H]2C(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,YB:A:704,invalid,,,,,[Yb+3],
,,,YB:A:705,valid,,,,,[Yb+3],
,,,1V6:A:703,valid,Ki,=,2.3,uM,c1ccc(cc1)Cc2ccc(cc2)c3csc(n3)N,
,,,ACY:A:707,invalid,,,,,CC(=O)O,
,,,ACY:A:706,invalid,,,,,CC(=O)O,
,,5NI2,,,,,,,
,,,DJ3:A:704,valid,,,,,CCCCC/C=CC/C=CC=CC=C[C@H]1[C@@H](O1)CCCC(=O)O,
,,,YB:A:703,invalid,,,,,[Yb+3],
,,,YB:A:702,invalid,,,,,[Yb+3],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,1GW6,,,,,,,
,,,ACT:A:1612,invalid,,,,,CC(=O)[O-],
,,,BES:A:1611,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,IMD:A:1613,invalid,,,,,c1c[nH+]c[nH]1,
,,,YB:A:1614,invalid,,,,,[Yb+3],
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4GAA,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,BES:B:702,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:A:702,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,Family. Representative Entry is ,2XQ0,,,,,,,
,,,BES:A:901,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,CL:A:1673,invalid,,,,,[Cl-],
,,,CL:A:1674,invalid,,,,,[Cl-],
,,,CL:A:1675,invalid,,,,,[Cl-],
,,,CL:A:1676,invalid,,,,,[Cl-],
,,,ZN:A:1672,Part of Protein,,,,,[Zn+2],
2.3.1.175,,,,,,,,,
,Family. Representative Entry is ,2VAT,,,,,,,
,,,ACT:A:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1385,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:D:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:F:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:G:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:H:1384,invalid,,,,,CC(=O)[O-],
,,,ACT:I:1385,invalid,,,,,CC(=O)[O-],
,,,ACT:J:1386,invalid,,,,,CC(=O)[O-],
,,,ACT:K:1386,invalid,,,,,CC(=O)[O-],
,,,ACT:L:1384,invalid,,,,,CC(=O)[O-],
,,,COA:A:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:H:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:I:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:J:1385,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:K:1385,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:L:1383,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GOL:B:1384,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:1384,invalid,,,,,C(C(CO)O)O,
1.18.99.1,,,,,,,,,
,Family. Representative Entry is ,1HFE,,,,,,,
,,,CMO:L:430,invalid,,,,,[C-]#[O+],
,,,CMO:M:430,invalid,,,,,[C-]#[O+],
,,,CYN:L:429,invalid,,,,,[C-]#N,
,,,CYN:M:429,invalid,,,,,[C-]#N,
,,,CYS:L:432,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:M:433,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,FE2:L:426,Part of Protein,,,,,[Fe+2],
,,,FE2:M:426,Part of Protein,,,,,[Fe+2],
,,,FE2 CYN CMO:L:427,invalid,,,,,,
,,,FE2 CYN CMO:M:427,invalid,,,,,,
,,,PDT:L:425,invalid,,,,,C(CS)CS,
,,,PDT:M:425,invalid,,,,,C(CS)CS,
,,,SF4:L:422,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:423,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:424,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:M:422,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:M:423,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:M:424,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ZN:S:500,Part of Protein,,,,,[Zn+2],
3.4.24.24,,,,,,,,,
,Family. Representative Entry is ,3AYU,,,,,,,
,,,CA:A:417,Part of Protein,,,,,[Ca+2],
,,,CA:A:418,Part of Protein,,,,,[Ca+2],
,,,CA:A:419,Part of Protein,,,,,[Ca+2],
,,,ILE SER TYR GLY ASN ASP ALA LEU MET PRO:B:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CO)Cc1ccc(O)cc1)CC(=O)N)CC(=O)[O-])C)CC(C)C)C(=O)N1C(C(=O)[O-])CCC1)C,
,,,ZN:A:415,Part of Protein,,,,,[Zn+2],
,,,ZN:A:416,Part of Protein,,,,,[Zn+2],
3.6.1.22,,,,,,,,,
,Family. Representative Entry is ,6O3P,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5ISY,,,,,,,
,,,NAD:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
3.2.1.166,,,,,,,,,
,Family. Representative Entry is ,5L9Z,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:A:613,invalid,,,,,[Cl-],
,,,CL:A:612,invalid,,,,,[Cl-],
,,,GUX:A:614,valid,,,,,C(CCCCN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2C(=O)O)O)O)O)CCCN=[N+]=[N-],
,,5E9B,,,,,,,
,,,BDP SGN BDP GNS:C:1,valid,,,,,,
,,,CL:A:604,invalid,,,,,[Cl-],
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5E97,,,,,,,
,,,CL:A:605,invalid,,,,,[Cl-],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BDP NPO NDG BDP NDG:C:1,valid,,,,,O=[N+]([O-])c1ccc(OC2C(O)C(O)C(OC3C(NC(=O)C)C(O)C(OC4C(O)C(O)C(OC5C(NC(=O)C)C(O)C(O)C(CO)O5)C(C(=O)[O-])O4)C(CO)O3)C(C(=O)[O-])O2)cc1,
,,5E9C,,,,,,,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,5KV IDR SGN UAP:C:1,valid,,,,,,
,,5E98,,,,,,,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BDP NPO GNS BDP:C:1,valid,,,,,S(=O)(=O)([O-])NC1C(O)C(OC2C(O)C(O)C(O)C(C(=O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(Oc2ccc(N(O)O)cc2)OC1C(=O)[O-],
2.1.3.10,,,,,,,,,
,Family. Representative Entry is ,5VIT,,,,,,,
,,,MLI:I:601,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:V:601,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:P:601,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:601,valid,,,,,C(C(=O)[O-])C(=O)[O-],
1.1.1.5,,,,,,,,,
,Family. Representative Entry is ,1GEG,,,,,,,
,,,BME:A:1462,invalid,,,,,C(CS)O,
,,,BME:B:2462,invalid,,,,,C(CS)O,
,,,BME:C:3462,invalid,,,,,C(CS)O,
,,,BME:D:4462,invalid,,,,,C(CS)O,
,,,BME:E:5462,invalid,,,,,C(CS)O,
,,,BME:F:6462,invalid,,,,,C(CS)O,
,,,BME:G:7462,invalid,,,,,C(CS)O,
,,,BME:H:8462,invalid,,,,,C(CS)O,
,,,GLC:A:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:D:305,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:E:306,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:F:307,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:G:308,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:H:309,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:2000,invalid,,,,,[Mg+2],
,,,MG:B:2001,invalid,,,,,[Mg+2],
,,,MG:G:2002,invalid,,,,,[Mg+2],
,,,MG:H:2003,invalid,,,,,[Mg+2],
,,,NAD:A:2001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:305,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:306,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:307,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:308,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:2004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.5.1.1,,,,,,,,,
,Family. Representative Entry is ,6PAE,,,,,,,
,,,EDO EDO EDO EDO:A:402,invalid,,,,,,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,1HG0,,,,,,,
,,,SIN:A:350,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:350,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:350,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:350,valid,,,,,C(CC(=O)O)C(=O)O,
,,1HFW,,,,,,,
,,,GLU:A:350,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:350,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:350,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:350,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5F52,,,,,,,
,,,PEG:D:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:C:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,5HW0,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1HG1,,,,,,,
,,,DAS:A:350,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,,,DAS:B:350,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,,,DAS:C:350,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,,,DAS:D:350,valid,,,,,C([C@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,5K4G,,,,,,,
,,,ASP:D:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,5K3O,,,,,,,
,,,ASP:D:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,5K4H,,,,,,,
,,,GLU:D:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:G:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:H:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5K45,,,,,,,
,,,GLU:A:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:400,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2WLT,,,,,,,
,,,ASP:A:1333,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,2WT4,,,,,,,
,,,ASP:A:3613,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,6PAC,,,,,,,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,IMD:C:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:402,invalid,,,,,c1c[nH+]c[nH]1,
,,6V2B,,,,,,,
,,,CIT:A:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,6PA6,,,,,,,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,IMD:C:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,6V29,,,,,,,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,1HO3,,,,,,,
,,,ASP:A:399,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:400,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6V26,,,,,,,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6PAB,,,,,,,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,CIT:A:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,6PA4,,,,,,,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,6PA8,,,,,,,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,FLC:D:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6NXB,,,,,,,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:402,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,6PAA,,,,,,,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6PA2,,,,,,,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,5MQ5,,,,,,,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6NX8,,,,,,,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,6V2A,,,,,,,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,6PA5,,,,,,,
,,,ASN:F:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:E:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:G:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:H:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,IMD:C:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:G:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:F:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:E:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,6NX7,,,,,,,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,3ECA,,,,,,,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6PA9,,,,,,,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,1NNS,,,,,,,
,,,ASP:A:427,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:428,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,6PA3,,,,,,,
,,,ASN:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,6NX6,,,,,,,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,6V24,,,,,,,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,AEI:D:12,invalid,,,,,C[C@H]([C@@H](C(=O)O)N)OC(=O)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6NXC,,,,,,,
,,,EDO:A:9103,invalid,,,,,C(CO)O,
,,,EDO:D:406,invalid,,,,,C(CO)O,
,,,EDO:A:9102,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:9107,invalid,,,,,C(CO)O,
,,,EDO:B:9104,invalid,,,,,C(CO)O,
,,,EDO:B:9103,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:D:407,invalid,,,,,C(CO)O,
,,,EDO:B:9105,invalid,,,,,C(CO)O,
,,,ASN:B:9102,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:9109,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,CL:D:405,invalid,,,,,[Cl-],
,,,CL:B:9108,invalid,,,,,[Cl-],
,,,CL:B:9106,invalid,,,,,[Cl-],
,,,CL:A:9106,invalid,,,,,[Cl-],
,,,CL:C:406,invalid,,,,,[Cl-],
,,,CL:B:9107,invalid,,,,,[Cl-],
,,,CL:A:9108,invalid,,,,,[Cl-],
,,,CL:A:9104,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CIT:B:9101,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:9101,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:9105,invalid,,,,,C(C(CO)O)O,
,,6NXD,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:D:1001,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:C:1001,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,CL:B:1004,invalid,,,,,[Cl-],
,,,CL:B:1001,invalid,,,,,[Cl-],
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,ASN:B:1006,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:1006,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:1003,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:1003,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:D:1008,invalid,,,,,C(CO)O,
,,,EDO:D:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:D:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:C:1004,invalid,,,,,C(CO)O,
,,,EDO:D:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:D:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,CIT:A:1005,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1005,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:1002,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:1002,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2HIM,,,,,,,
,,,ASN:A:6001,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:A:8001,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:6002,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:8002,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:6003,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:8003,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:6004,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:8004,valid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASP:A:7001,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:7002,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:7003,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:7004,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,EDO:A:9002,invalid,,,,,C(CO)O,
,,,EDO:A:9005,invalid,,,,,C(CO)O,
,,,EDO:B:9004,invalid,,,,,C(CO)O,
,,,EDO:B:9006,invalid,,,,,C(CO)O,
,,,EDO:C:9001,invalid,,,,,C(CO)O,
,,,EDO:C:9007,invalid,,,,,C(CO)O,
,,,EDO:D:9003,invalid,,,,,C(CO)O,
,,,EDO:D:9008,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2JK0,,,,,,,
,,,ASP:A:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:C:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:E:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:F:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:G:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:H:1328,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,4R8L,,,,,,,
,,,ASP:C:700,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:D:700,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:700,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:700,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,4O48,,,,,,,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,ASP:A:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:402,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,6V25,,,,,,,
,,,ASP:B:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:401,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,Family. Representative Entry is ,4PU6,,,,,,,
,,,K:C:202,Part of Protein,,,,,[K+],
,,,K:C:201,Part of Protein,,,,,[K+],
,,,K:A:201,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,ASP:B:501,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
3.4.11.1,,,,,,,,,
,Family. Representative Entry is ,1LAN,,,,,,,
,,,LEU:A:500,valid,Ki,=,60,nM,CC(C)C[C@@H](C(=O)O)N,
,,,MRD:A:501,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:502,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:503,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ZN:A:488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:489,Part of Protein,,,,,[Zn+2],
,,,ZN:A:490,Part of Protein,,,,,[Zn+2],
,,2J9A,,,,,,,
,,,ALA MLE TYR TYR AHY:D:2,valid,ic50,=,1.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(O)C([NH3+])CCCCCCC)C)C)CC(C)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1,
,,,CL:A:1486,invalid,,,,,[Cl-],
,,,DMS:A:1491,invalid,,,,,CS(=O)C,
,,,DMS:A:1492,invalid,,,,,CS(=O)C,
,,,MPD:A:1487,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1488,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1489,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:1493,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1494,Part of Protein,,,,,[Zn+2],
,,1LCP,,,,,,,
,,,MRD:A:501,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:502,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:503,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:501,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:502,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:503,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PLU:A:500,valid,Ki,=,0.23,uM,CC(C)C[C@H](N)P(=O)(O)O,
,,,PLU:B:500,valid,Ki,=,0.23,uM,CC(C)C[C@H](N)P(=O)(O)O,
,,,ZN:A:488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:489,Part of Protein,,,,,[Zn+2],
,,,ZN:A:490,Part of Protein,,,,,[Zn+2],
,,,ZN:B:488,Part of Protein,,,,,[Zn+2],
,,,ZN:B:489,Part of Protein,,,,,[Zn+2],
,,,ZN:B:490,Part of Protein,,,,,[Zn+2],
,,2EWB,,,,,,,
,,,CO3:A:500,invalid,,,,,C(=O)([O-])[O-],
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,ZED:A:2000,valid,Ki,=,0.8,uM,C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2,
,,,ZN:A:488,Part of Protein,,,,,[Zn+2],
,,,ZN:A:489,Part of Protein,,,,,[Zn+2],
,,1BLL,,,,,,,
,,,L2O VAL VAL ASP:I:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(O)C([NH3+])CC(C)C)C(C)C)C(C)C)CC(=O)[O-],
,,,ZN:E:488,Part of Protein,,,,,[Zn+2],
,,,ZN:E:489,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5AB0,,,,,,,
,,,2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN:F:1,valid,ic50,=,26,nM,P(=O)([O-])(C([NH3+])CCc1ccccc1)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCC[NH3+])Cc1ccccc1)CO)Cc1ccccc1)C)Cc1nc[nH]c1)Cc1nc[nH]c1)CCCC[NH3+])CC(C)C,
,,,2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN:E:1,valid,ic50,=,26,nM,P(=O)([O-])(C([NH3+])CCc1ccccc1)CC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CCCC[NH3+])Cc1ccccc1)CO)Cc1ccccc1)C)Cc1nc[nH]c1)Cc1nc[nH]c1)CCCC[NH3+])CC(C)C,
,,,NAG:A:1070,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1082,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1010,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1069,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1081,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1013,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:C:1020,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1008,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,EDO:C:1962,invalid,,,,,C(CO)O,
,,,EDO:A:1965,invalid,,,,,C(CO)O,
,,,EDO:A:1964,invalid,,,,,C(CO)O,
,,,EDO:C:1963,invalid,,,,,C(CO)O,
,,,MES:A:2002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG NAG BMA BMA BMA:I:1,invalid,,,,,,
,Family. Representative Entry is ,4ZY1,,,,,,,
,,,1PE:E:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,SO4:D:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO3:F:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1004,invalid,,,,,C(=O)([O-])[O-],
,,,4U5:I:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:B:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:L:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:J:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:K:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:G:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:E:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:A:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:D:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:C:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:F:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,4U5:H:1001,valid,Ki,=,0.0072,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,,GOL:G:1006,invalid,,,,,C(C(CO)O)O,
,,3T8W,,,,,,,
,,,1PE:A:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:622,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:616,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:617,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:622,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:623,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:622,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:623,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:621,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:622,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:617,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:617,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:620,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2PE:B:616,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:H:619,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,CO3:A:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:612,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:612,invalid,,,,,C(=O)([O-])[O-],
,,,DGZ:A:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:B:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:C:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:D:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:E:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:F:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:G:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:H:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:I:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:J:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:K:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,DGZ:L:615,valid,Ki,=,330,nM,C#CCCCC(=O)NCCCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)COCCOCCNC(=O)[C@H](Cc3ccc4ccccc4c3)NC(=O)[C@H]([C@@H](Cc5ccccc5)N)O,
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:613,Part of Protein,,,,,[Zn+2],
,,,ZN:A:614,Part of Protein,,,,,[Zn+2],
,,,ZN:B:613,Part of Protein,,,,,[Zn+2],
,,,ZN:B:614,Part of Protein,,,,,[Zn+2],
,,,ZN:C:613,Part of Protein,,,,,[Zn+2],
,,,ZN:C:614,Part of Protein,,,,,[Zn+2],
,,,ZN:D:613,Part of Protein,,,,,[Zn+2],
,,,ZN:D:614,Part of Protein,,,,,[Zn+2],
,,,ZN:E:613,Part of Protein,,,,,[Zn+2],
,,,ZN:E:614,Part of Protein,,,,,[Zn+2],
,,,ZN:F:613,Part of Protein,,,,,[Zn+2],
,,,ZN:F:614,Part of Protein,,,,,[Zn+2],
,,,ZN:G:613,Part of Protein,,,,,[Zn+2],
,,,ZN:G:614,Part of Protein,,,,,[Zn+2],
,,,ZN:H:613,Part of Protein,,,,,[Zn+2],
,,,ZN:H:614,Part of Protein,,,,,[Zn+2],
,,,ZN:I:613,Part of Protein,,,,,[Zn+2],
,,,ZN:I:614,Part of Protein,,,,,[Zn+2],
,,,ZN:J:613,Part of Protein,,,,,[Zn+2],
,,,ZN:J:614,Part of Protein,,,,,[Zn+2],
,,,ZN:K:613,Part of Protein,,,,,[Zn+2],
,,,ZN:K:614,Part of Protein,,,,,[Zn+2],
,,,ZN:L:613,Part of Protein,,,,,[Zn+2],
,,,ZN:L:614,Part of Protein,,,,,[Zn+2],
,,6EEE,,,,,,,
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PE:F:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1012,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1011,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1013,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,DMS:H:1010,invalid,,,,,CS(=O)C,
,,,DMS:B:1005,invalid,,,,,CS(=O)C,
,,,DMS:G:1006,invalid,,,,,CS(=O)C,
,,,DMS:B:1006,invalid,,,,,CS(=O)C,
,,,DMS:A:1008,invalid,,,,,CS(=O)C,
,,,DMS:B:1007,invalid,,,,,CS(=O)C,
,,,J4V:C:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:G:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:D:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:F:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:A:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:I:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:H:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:L:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:J:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:K:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:B:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,J4V:E:1001,valid,Ki,=,28.9,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,EDO:F:1007,invalid,,,,,C(CO)O,
,,,EDO:F:1006,invalid,,,,,C(CO)O,
,,,EDO:J:1008,invalid,,,,,C(CO)O,
,,,EDO:G:1007,invalid,,,,,C(CO)O,
,,,EDO:H:1009,invalid,,,,,C(CO)O,
,,,EDO:I:1007,invalid,,,,,C(CO)O,
,,,EDO:J:1007,invalid,,,,,C(CO)O,
,,,EDO:K:1011,invalid,,,,,C(CO)O,
,,,EDO:K:1010,invalid,,,,,C(CO)O,
,,,EDO:L:1006,invalid,,,,,C(CO)O,
,,,EDO:J:1006,invalid,,,,,C(CO)O,
,,,EDO:K:1009,invalid,,,,,C(CO)O,
,,,EDO:K:1008,invalid,,,,,C(CO)O,
,,,EDO:E:1006,invalid,,,,,C(CO)O,
,,,CO3:C:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1002,invalid,,,,,C(=O)([O-])[O-],
,,,2PE:H:1007,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,4R76,,,,,,,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,CO3:I:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1002,invalid,,,,,C(=O)([O-])[O-],
,,,1PE:F:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,R5X:L:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:B:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:J:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:D:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:G:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:C:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:E:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:A:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:I:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:K:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:F:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,R5X:H:1004,valid,Ki,=,0.014,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,SO4:H:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6EE2,,,,,,,
,,,ZN:L:703,Part of Protein,,,,,[Zn+2],
,,,ZN:F:702,Part of Protein,,,,,[Zn+2],
,,,ZN:C:702,Part of Protein,,,,,[Zn+2],
,,,ZN:G:702,Part of Protein,,,,,[Zn+2],
,,,ZN:D:702,Part of Protein,,,,,[Zn+2],
,,,ZN:E:702,Part of Protein,,,,,[Zn+2],
,,,ZN:H:702,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,ZN:J:702,Part of Protein,,,,,[Zn+2],
,,,ZN:I:701,Part of Protein,,,,,[Zn+2],
,,,ZN:K:702,Part of Protein,,,,,[Zn+2],
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,1PE:D:709,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:708,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:708,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:709,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:708,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:709,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:708,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:707,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:701,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:705,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:706,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,J1V:I:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:A:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:H:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:D:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:B:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:L:704,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:F:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:E:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:G:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:K:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:J:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,J1V:C:703,valid,Ki,=,195,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,,SO4:E:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:A:710,invalid,,,,,CS(=O)C,
,,,DMS:J:707,invalid,,,,,CS(=O)C,
,,,DMS:C:706,invalid,,,,,CS(=O)C,
,,,DMS:E:707,invalid,,,,,CS(=O)C,
,,,DMS:K:709,invalid,,,,,CS(=O)C,
,,,DMS:D:710,invalid,,,,,CS(=O)C,
,,,DMS:A:709,invalid,,,,,CS(=O)C,
,,,DMS:G:710,invalid,,,,,CS(=O)C,
,,,CO3:J:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:702,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:702,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:701,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:701,invalid,,,,,C(=O)([O-])[O-],
,,,EDO:I:708,invalid,,,,,C(CO)O,
,,,EDO:I:707,invalid,,,,,C(CO)O,
,,4ZY0,,,,,,,
,,,4TM:B:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:E:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:D:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:H:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:K:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:J:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:C:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:A:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:I:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:F:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:L:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,4TM:G:1001,valid,Ki,=,0.0091,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,1PE:B:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1002,Part of Protein,,,,,[Zn+2],
,,,SO4:G:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO3:F:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1004,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1004,invalid,,,,,C(=O)([O-])[O-],
,,,GOL:G:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1005,invalid,,,,,C(C(CO)O)O,
,,4ZY2,,,,,,,
,,,1PE:B:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1011,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1012,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1011,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1005,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1011,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CO3:K:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1002,invalid,,,,,C(=O)([O-])[O-],
,,,SO4:L:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,4TL:G:1010,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:A:1008,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:I:1012,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:K:1008,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:H:1006,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:C:1011,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:F:1009,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:E:1009,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:J:1011,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:L:1008,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:D:1009,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,4TL:B:1004,valid,Ki,=,0.06,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,DMS:H:1007,invalid,,,,,CS(=O)C,
,,,DMS:A:1009,invalid,,,,,CS(=O)C,
,,,DMS:L:1009,invalid,,,,,CS(=O)C,
,,3KR4,,,,,,,
,,,1PE:A:19,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:20,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:60,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:61,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:62,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:17,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:18,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:44,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:63,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:67,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:9,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:43,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:7,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:8,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:31,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:32,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:33,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:12,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:30,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:47,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:48,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:58,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:64,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:65,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:21,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:22,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:66,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:2,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:3,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:45,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:4,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:42,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:5,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:50,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:56,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:612,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BES:A:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:C:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:D:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:E:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:F:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:G:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:H:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:I:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:J:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:K:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:L:1003,valid,Ki,=,25,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,CO3:A:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:I:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1002,invalid,,,,,C(=O)([O-])[O-],
,,,MG:A:1004,Part of Protein,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,MG:C:1004,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,,,MG:E:1004,Part of Protein,,,,,[Mg+2],
,,,MG:F:1004,Part of Protein,,,,,[Mg+2],
,,,MG:G:1004,Part of Protein,,,,,[Mg+2],
,,,MG:H:1004,Part of Protein,,,,,[Mg+2],
,,,MG:I:1004,Part of Protein,,,,,[Mg+2],
,,,MG:J:1004,Part of Protein,,,,,[Mg+2],
,,,MG:K:1004,Part of Protein,,,,,[Mg+2],
,,,MG:L:1004,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:24,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:22,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:21,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:17,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:23,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:18,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:20,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:19,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:25,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,4K3N,,,,,,,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:L:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:K:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:H:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:J:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:G:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:F:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1003,Part of Protein,,,,,[Zn+2],
,,,1PE:D:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:J:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:I:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:G:1011,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:1009,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:L:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:1008,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:K:1010,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,CO3:I:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:K:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:C:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:H:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:B:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:J:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:G:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:D:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:F:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:E:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:1002,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:L:1002,invalid,,,,,C(=O)([O-])[O-],
,,,SO4:K:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2PE:D:1010,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:H:1006,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:I:1010,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:1006,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:C:1009,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:E:1010,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:H:1007,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:J:1010,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:D:1012,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:D:1011,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:1007,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:F:1010,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,1OT:D:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:J:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:B:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:K:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:H:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:E:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:F:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:I:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:G:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:A:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:C:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,1OT:L:1004,valid,Ki,=,0.011,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,Family. Representative Entry is ,3H8G,,,,,,,
,,,BCT:A:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:F:504,invalid,,,,,C(=O)(O)[O-],
,,,BES:A:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:C:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:D:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:E:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:F:505,valid,,,,,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:C:503,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,K:E:503,Part of Protein,,,,,[K+],
,,,K:F:503,Part of Protein,,,,,[K+],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:C:502,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
,,,MN:E:502,Part of Protein,,,,,[Mn+2],
,,,MN:F:502,Part of Protein,,,,,[Mn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:F:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4ZLA,,,,,,,
,,,ZN:F:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:F:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,BCT:B:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:D:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:F:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:C:504,invalid,,,,,C(=O)(O)[O-],
,,,BCT:E:504,invalid,,,,,C(=O)(O)[O-],
,,,BES:C:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:E:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:F:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:D:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:B:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,BES:A:505,valid,ic50,=,49.9,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,NA:D:503,Part of Protein,,,,,[Na+],
,,,NA:E:503,Part of Protein,,,,,[Na+],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,NA:F:503,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
3.3.2.-,,,,,,,,,
,Family. Representative Entry is ,3RGA,,,,,,,
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,FMT:A:309,invalid,,,,,C(=O)O,
,,,FMT:A:310,invalid,,,,,C(=O)O,
,,,FMT:A:311,invalid,,,,,C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,ILD:A:302,valid,,,,,CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@](O2)(CC)[C@H](C)O)C)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C,
,,,LSB:A:301,valid,,,,,CC[C@H]([C@H]([C@@H](C)CC1([C@H](O1)CC[C@@]2([C@H](O2)C)CC)CC)O)C(=O)N3[C@@H]([C@@H](OC3=O)c4ccccc4)C,
,,,MOH:A:307,invalid,,,,,CO,
,,,MOH:A:308,invalid,,,,,CO,
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,4RZM,,,,,,,
,,,FMT:B:307,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:B:303,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,LSD:B:301,valid,,,,,CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O,
,,,LSD:A:301,valid,,,,,CC[C@H]([C@@H]1[C@H](C[C@@](O1)(CC)[C@H]2CC[C@@]([C@@H](O2)C)(CC)O)C)C(=O)[C@@H](C)[C@H]([C@H](C)CCc3ccc(c(c3C(=O)O)O)C)O,
,,,CL:B:310,invalid,,,,,[Cl-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:B:309,Part of Protein,,,,,[Na+],
,,,NA:B:308,Part of Protein,,,,,[Na+],
1.5.99.12,,,,,,,,,
,Family. Representative Entry is ,6YAP,,,,,,,
,,,OHZ:A:604,valid,ic50,=,0.37,uM,c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,FAD:A:603,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4OAL,,,,,,,
,,,DMS:B:606,invalid,,,,,CS(=O)C,
,,,DMS:B:607,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:B:604,invalid,,,,,CS(=O)C,
,,,DMS:B:603,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,DMS:B:605,invalid,,,,,CS(=O)C,
,,,245:A:602,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,245:B:602,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,FAD:B:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5HMR,,,,,,,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDZ:A:602,valid,ic50,=,35,uM,c1cc(cc(c1)OC(F)(F)F)NC(=O)Nc2cnns2,
,,5HHZ,,,,,,,
,,,FAD:A:600,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZME:A:601,valid,,,,,Cc1ccn(c1)c2c3c([nH]cn3)ncn2,
,,5HQX,,,,,,,
,,,EDZ:A:602,valid,ic50,=,120,uM,c1ccc(c(c1)CCO)NC(=O)Nc2cnns2,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6YAO,,,,,,,
,,,OJ2:A:602,valid,ic50,=,1.5,uM,c1ccc(c(c1)CCO)NC(=O)Nc2cccc(c2)OC(F)(F)F,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4O95,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,PEG:A:615,invalid,,,,,C(COCCO)O,
,,,PEG:A:614,invalid,,,,,C(COCCO)O,
,,,245:A:602,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,FAD:A:601,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:613,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,2Q4W,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3KJM,,,,,,,
,,,245:A:601,valid,ic50,=,1.5,uM,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:535,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:536,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:537,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:538,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:539,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:540,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:541,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:542,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:701,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:706,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1W1Q,,,,,,,
,,,FAD:A:1535,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZIP:A:1536,valid,,,,,CC(=CCNc1c2c([nH]cn2)ncn1)C,
,,2QKN,,,,,,,
,,,245:A:1536,valid,ic50,=,18,uM,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,245:A:1537,valid,ic50,=,18,uM,c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl,
,,,FAD:A:1535,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:718,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1608,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2QPM,,,,,,,
,,,246:A:1536,valid,ic50,=,42,uM,c1ccc(cc1)CNC(=O)Nc2ccnc(c2)Cl,
,,,FAD:A:1535,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:1601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1608,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1W1S,,,,,,,
,,,EMU:A:1536,valid,,,,,c1ccc(cc1)CNc2c3c([nH]cn3)ncn2,
,,,FAD:A:1535,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1W1R,,,,,,,
,,,FAD:A:1535,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG:A:1537,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1538,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZEA:A:1536,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,Family. Representative Entry is ,6YAQ,,,,,,,
,,,OHZ:A:601,valid,ic50,=,0.059,uM,c1ccc(c(c1)CCO)NC(=O)Nc2cc(cc(c2)Cl)OC(F)(F)F,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:617,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:A:619,invalid,,,,,C(CO)O,
,,,EDO:A:616,invalid,,,,,C(CO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,IPA:A:603,invalid,,,,,CC(C)O,
,,,IPA:A:606,invalid,,,,,CC(C)O,
,,,IPA:A:605,invalid,,,,,CC(C)O,
,,,IPA:A:604,invalid,,,,,CC(C)O,
,,,FAD:A:602,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.1.3.46,,,,,,,,,
,Family. Representative Entry is ,5ZZR,,,,,,,
,,,SMN:A:402,valid,,,,,c1ccc(cc1)[C@@H](C(=O)O)O,
,,,SMN:A:403,valid,,,,,c1ccc(cc1)[C@@H](C(=O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A0V,,,,,,,
,,,SMN:A:402,valid,,,,,c1ccc(cc1)[C@@H](C(=O)O)O,
,,,SMN:A:403,valid,,,,,c1ccc(cc1)[C@@H](C(=O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ZZX,,,,,,,
,,,RMN:A:402,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A19,,,,,,,
,,,173:A:403,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,173:A:402,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1A,,,,,,,
,,,HHH:A:402,valid,,,,,c1cc(ccc1[C@@H](C(=O)O)O)O,
,,,HHH:A:403,valid,,,,,c1cc(ccc1[C@@H](C(=O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1H,,,,,,,
,,,9O9:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ZZZ,,,,,,,
,,,173:A:402,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ZZS,,,,,,,
,,,FMN:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,BEZ:A:401,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:402,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:403,valid,,,,,c1ccc(cc1)C(=O)O,
,,6A0M,,,,,,,
,,,PAC:A:402,valid,,,,,c1ccc(cc1)CC(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A21,,,,,,,
,,,9OR:A:401,valid,,,,,Cc1cc2c(cc1C)[N](=C3C(=[N]2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)CC(=O)O,
,,6A0G,,,,,,,
,,,HFA:A:402,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)O,
,,,HFA:A:403,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1M,,,,,,,
,,,173:A:403,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,9O9:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A0O,,,,,,,
,,,HBX:A:402,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:A:403,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:A:404,valid,,,,,c1ccc(cc1)C=O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1R,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,9OC:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)Cc4ccccc4,
,,6A13,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ZZP,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A0Y,,,,,,,
,,,BEZ:A:404,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:402,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:403,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A23,,,,,,,
,,,9OU:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)C(=O)c4ccccc4,
,,,173:A:403,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,6A0D,,,,,,,
,,,9RW:A:403,valid,,,,,C[C@@H](c1ccccc1)C(=O)O,
,,,9RW:A:402,valid,,,,,C[C@@H](c1ccccc1)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1L,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,BEZ:A:404,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:403,valid,,,,,c1ccc(cc1)C(=O)O,
,,,9O9:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A08,,,,,,,
,,,173:A:403,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,173:A:404,valid,,,,,c1ccc(cc1)C(=O)C(=O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ZZY,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,2OP:A:402,valid,,,,,C[C@@H](C(=O)O)O,
,,5ZZQ,,,,,,,
,,,HHH:A:402,valid,,,,,c1cc(ccc1[C@@H](C(=O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A1P,,,,,,,
,,,PPY:A:403,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,9O9:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A11,,,,,,,
,,,PPY:A:402,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6A00,,,,,,,
,,,9RW:A:403,valid,,,,,C[C@@H](c1ccccc1)C(=O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.2.1.76,,,,,,,,,
,Family. Representative Entry is ,6I6R,,,,,,,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:706,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:706,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,H62:A:704,valid,,,,,C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N,
,,,H62:B:704,invalid,,,,,C1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)N,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:710,invalid,,,,,[Cl-],
,,,CL:B:708,invalid,,,,,[Cl-],
,,,TLA:A:709,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6I6X,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,H6B:A:909,valid,,,,,CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O,
,,,H6B:B:910,valid,,,,,CN1[C@H]2[C@@H]1[C@@H]([C@H]([C@@H]([C@@H]2C(=O)O)O)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:917,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:913,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,CL:B:914,invalid,,,,,[Cl-],
,,,CL:A:918,invalid,,,,,[Cl-],
,,,NAG:B:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:901,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
5.4.99.7,,,,,,,,,
,Family. Representative Entry is ,1W6K,,,,,,,
,,,BOG:A:1732,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1733,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1734,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1735,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1736,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1737,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1738,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1739,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,LAN:A:1740,valid,,,,,C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C,
,,1W6J,,,,,,,
,,,BOG:A:1734,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1736,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1737,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,C14:A:1735,invalid,,,,,CCCCCCCCCCCCCC,
,,,R71:A:1733,valid,,,,,C[N@@](CCCCCCOc1ccc(c(c1)F)C(=O)c2ccc(cc2)Br)CC=C,
1.4.7.1,,,,,,,,,
,Family. Representative Entry is ,1OFD,,,,,,,
,,,AKG:A:3510,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:3510,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,F3S:A:3509,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:3509,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FMN:A:3508,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:3508,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1OFE,,,,,,,
,,,AKG:A:2510,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:2510,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,F3S:A:2509,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:B:2509,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FMN:A:2508,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2508,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ONL:A:2511,valid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
,,,ONL:B:2511,valid,,,,,CC(=O)CC[C@@H](C(=O)O)N,
3.6.5.6,,,,,,,,,
,Family. Representative Entry is ,3CB2,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
2.4.-.-,,,,,,,,,
,Family. Representative Entry is ,3H4T,,,,,,,
,,,ALA LYS LEU ALA ALA ALA LEU GLU:A:533,invalid,,,,,,
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,UDP:A:604,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3H4I,,,,,,,
,,,ALA LYS LEU ALA ALA ALA LEU GLU HIS HIS:A:533,invalid,,,,,,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U2F:A:547,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,Family. Representative Entry is ,4F97,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,VDO:A:502,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,,VDO:B:501,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,4F96,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6FTB,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,M0E:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,M0E:A:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,M0E:A:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1QW:A:314,invalid,,,,,CCCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,3HZS,,,,,,,
,,,M0E:A:901,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
1.1.1.36,,,,,,,,,
,Family. Representative Entry is ,3VZS,,,,,,,
,,,CAA:A:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:C:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:B:303,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NAP:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4N5M,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,CAA:B:301,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:A:301,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4N5N,,,,,,,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
6.2.1.33,,,,,,,,,
,Family. Representative Entry is ,3CW9,,,,,,,
,,,01A:A:990,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O,
,,,01A:B:991,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)Cl)O,
,,,AMP:A:997,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,MG:A:1001,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,NO3:A:1303,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:1302,invalid,,,,,[N+](=O)([O-])[O-],
,,1T5D,,,,,,,
,,,174:X:998,valid,,,,,c1cc(ccc1C(=O)O)Cl,
,,,CA:X:999,Part of Protein,,,,,[Ca+2],
,,2QVZ,,,,,,,
,,,3BZ:X:505,valid,,,,,c1cc(cc(c1)Cl)C(=O)O,
,,3CW8,,,,,,,
,,,00A:X:909,valid,,,,,c1cc(ccc1C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)Cl,
,,,EDO:X:801,invalid,,,,,C(CO)O,
,,,EDO:X:802,invalid,,,,,C(CO)O,
,,,EDO:X:803,invalid,,,,,C(CO)O,
,,,EDO:X:804,invalid,,,,,C(CO)O,
2.7.1.163,,,,,,,,,
,Family. Representative Entry is ,3W0O,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HY0:A:402,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3W0N,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HY0:A:402,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3TYK,,,,,,,
,,,CL:A:343,invalid,,,,,[Cl-],
,,,HY0:A:342,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3W0R,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HY0:A:402,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3W0Q,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HY0:A:402,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3W0P,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,HY0:A:402,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
,,3W0S,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HY0:A:401,valid,,,,,CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@H]([C@H]([C@H](O4)[C@H](CO)N)O)O)O)O)N,
1.17.1.9,,,,,,,,,
,Family. Representative Entry is ,2IV2,,,,,,,
,,,2MD:X:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:X:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MO:X:803,invalid,,,,,[Mo],
,,,SF4:X:800,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,UNX:X:804,invalid,,,,,*,
,Family. Representative Entry is ,2NAD,,,,,,,
,,,AZI:A:395,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:395,invalid,,,,,[N-]=[N+]=[N-],
,,,NAD:A:394,valid,Ki,=,0.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:394,valid,Ki,=,0.1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:396,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6JUJ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,A7R:A:501,valid,,,,,c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N,
,,,A7R:B:501,valid,,,,,c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N,
,,6JUK,,,,,,,
,,,A7R:A:505,valid,,,,,c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N,
,,,A7R:B:501,valid,,,,,c1cc(c[n+](c1)[C@@H]2[C@@H]([C@@H]([C@@H](O2)COP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@H]([C@H](O3)N4C=CC(=NC4=O)N)O)O)O)O)C(=O)N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
1.11.2.1,,,,,,,,,
,Family. Representative Entry is ,6EKZ,,,,,,,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SNP:A:413,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1cccc2)O,
,,,SNP:A:416,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1cccc2)O,
,,,SNP:A:415,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1cccc2)O,
,,,SNP:A:414,valid,,,,,CC(C)NC[C@@H](COc1cccc2c1cccc2)O,
,,,PO4:A:421,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:420,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:419,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:417,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:418,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6EKX,,,,,,,
,,,MOH:A:415,invalid,,,,,CO,
,,,MOH:A:431,invalid,,,,,CO,
,,,MOH:A:427,invalid,,,,,CO,
,,,MOH:A:422,invalid,,,,,CO,
,,,MOH:A:432,invalid,,,,,CO,
,,,MOH:A:426,invalid,,,,,CO,
,,,MOH:A:437,invalid,,,,,CO,
,,,MOH:A:425,invalid,,,,,CO,
,,,MOH:A:417,invalid,,,,,CO,
,,,MOH:A:419,invalid,,,,,CO,
,,,MOH:A:423,invalid,,,,,CO,
,,,MOH:A:421,invalid,,,,,CO,
,,,MOH:A:418,invalid,,,,,CO,
,,,MOH:A:435,invalid,,,,,CO,
,,,MOH:A:420,invalid,,,,,CO,
,,,MOH:A:433,invalid,,,,,CO,
,,,MOH:A:436,invalid,,,,,CO,
,,,MOH:A:430,invalid,,,,,CO,
,,,MOH:A:416,invalid,,,,,CO,
,,,MOH:A:424,invalid,,,,,CO,
,,,MOH:A:429,invalid,,,,,CO,
,,,MOH:A:434,invalid,,,,,CO,
,,,MOH:A:428,invalid,,,,,CO,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,1NP:A:414,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:A:413,valid,,,,,c1ccc2c(c1)cccc2O,
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6EL4,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VOH:A:413,valid,,,,,COc1ccc(cc1OC)CO,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6EKW,,,,,,,
,,,MOH:A:1021,invalid,,,,,CO,
,,,MOH:A:1023,invalid,,,,,CO,
,,,MOH:A:1026,invalid,,,,,CO,
,,,MOH:A:1020,invalid,,,,,CO,
,,,MOH:A:1025,invalid,,,,,CO,
,,,MOH:A:1029,invalid,,,,,CO,
,,,MOH:A:1017,invalid,,,,,CO,
,,,MOH:A:1028,invalid,,,,,CO,
,,,MOH:A:1030,invalid,,,,,CO,
,,,MOH:A:1019,invalid,,,,,CO,
,,,MOH:A:1022,invalid,,,,,CO,
,,,MOH:A:1018,invalid,,,,,CO,
,,,MOH:A:1031,invalid,,,,,CO,
,,,MOH:A:1024,invalid,,,,,CO,
,,,MOH:A:1027,invalid,,,,,CO,
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1015,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1016,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1013,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,NPY:A:1009,valid,,,,,c1ccc2ccccc2c1,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,HEM:A:1000,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6EL0,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SYN:A:413,valid,,,,,C=Cc1ccccc1,
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2YOR,,,,,,,
,,,CL:B:1361,invalid,,,,,[Cl-],
,,,CL:B:1356,invalid,,,,,[Cl-],
,,,CL:B:1358,invalid,,,,,[Cl-],
,,,CL:A:1356,invalid,,,,,[Cl-],
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:391,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:411,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:411,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:B:1357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1359,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MZ0:B:354,valid,,,,,c1c([nH]cn1)CO,
,,,MZ0:A:354,valid,,,,,c1c([nH]cn1)CO,
,,,BMA:A:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:501,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,HEM:A:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:350,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MG:A:353,Part of Protein,,,,,[Mg+2],
,,,MG:B:353,Part of Protein,,,,,[Mg+2],
,,,TRS:B:1355,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:F:1,invalid,,,,,,
,,6EKY,,,,,,,
,,,GOL:A:432,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MOH:A:431,invalid,,,,,CO,
,,,MOH:A:427,invalid,,,,,CO,
,,,MOH:A:422,invalid,,,,,CO,
,,,MOH:A:426,invalid,,,,,CO,
,,,MOH:A:425,invalid,,,,,CO,
,,,MOH:A:419,invalid,,,,,CO,
,,,MOH:A:423,invalid,,,,,CO,
,,,MOH:A:418,invalid,,,,,CO,
,,,MOH:A:421,invalid,,,,,CO,
,,,MOH:A:420,invalid,,,,,CO,
,,,MOH:A:430,invalid,,,,,CO,
,,,MOH:A:424,invalid,,,,,CO,
,,,MOH:A:429,invalid,,,,,CO,
,,,MOH:A:428,invalid,,,,,CO,
,,,1NP:A:416,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:A:417,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:A:415,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:A:414,valid,,,,,c1ccc2c(c1)cccc2O,
,,,1NP:A:413,valid,,,,,c1ccc2c(c1)cccc2O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
3.2.1.91,,,,,,,,,
,Family. Representative Entry is ,3A9B,,,,,,,
,,,BGC:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:A:396,invalid,,,,,[Mg+2],
,,,MG:A:397,invalid,,,,,[Mg+2],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3ABX,,,,,,,
,,,MG:A:396,invalid,,,,,[Mg+2],
,,,RCB:A:1001,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O,
,,,RCB:A:1002,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O,
,Family. Representative Entry is ,4HAP,,,,,,,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,invalid,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,TRS:A:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BGC BGC:C:1,valid,Ki,=,1.4,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Ki,=,1.4,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,2RFZ,,,,,,,
,,,GLC BGC BGC:H:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:F:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:I:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:G:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:J:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,4AX7,,,,,,,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:D:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC 4MU BGC:F:1,valid,,,,,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O1)c2,
,,,BGC 4MU BGC:H:1,valid,,,,,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O1)c2,
,,,BGC 4MU BGC BGC BGC:G:1,valid,,,,,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O1)c2,
,,,BGC 4MU BGC BGC BGC:E:1,valid,,,,,O=C1Oc2c(C(C)=C1)ccc(OC1C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O1)c2,
,,4AU0,,,,,,,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:510,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,BGC:B:603,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC XZZ BGC:C:1,valid,,,,,Clc1c(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)cc2OC(O)=CC(=C)c2c1,
,,,BGC XZZ BGC:D:1,valid,,,,,Clc1c(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)cc2OC(O)=CC(=C)c2c1,
,,1HGY,,,,,,,
,,,BMA:A:508,Part of Protein,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1QK2,,,,,,,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MGL SGC GLC GLC:C:1,valid,,,,,,
,,,MGL SGC GLC GLC:D:1,valid,,,,,,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1QK0,,,,,,,
,,,CO:A:900,Part of Protein,,,,,[Co+2],
,,,CO:B:900,Part of Protein,,,,,[Co+2],
,,,IOD:B:899,invalid,,,,,[I-],
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XYP IOB BGC:C:1,valid,,,,,Ic1cc(COC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)CO2)ccc1,
,,,XYS IOB GLC:D:1,valid,,,,,,
,,4AX6,,,,,,,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC UWU BGC:C:1,valid,,,,,Clc1c(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)cc2OC(=O)C=C(c3ccccc3)c2c1,
,,,BGC UWU BGC:D:1,valid,,,,,Clc1c(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)cc2OC(=O)C=C(c3ccccc3)c2c1,
,,1QJW,,,,,,,
,,,CD:A:895,invalid,,,,,[Cd+2],
,,,CD:A:896,invalid,,,,,[Cd+2],
,,,CD:B:895,invalid,,,,,[Cd+2],
,,,CD:B:896,invalid,,,,,[Cd+2],
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:503,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:505,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:506,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:507,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:508,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:509,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MGL SGC GLC GLC:C:1,valid,,,,,,
,,,MGL SGC GLC GLC:D:1,valid,,,,,,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3VOI,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,RCB:A:503,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O,
,,3VOH,,,,,,,
,,,BGC:A:1003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,4XWM,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC:B:1,valid,,,,,,
,Family. Representative Entry is ,1RQ5,,,,,,,
,,,CA:A:818,Part of Protein,,,,,[Ca+2],
,,,CA:A:819,Part of Protein,,,,,[Ca+2],
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4AVO,,,,,,,
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,4AVN,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1OC7,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,DMF:A:503,invalid,,,,,CN(C)C=O,
,,,DMF:A:504,invalid,,,,,CN(C)C=O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,MA3:B:1,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)S)O)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SGC SGC SGC BGC:B:2,valid,,,,,,
,,1OCB,,,,,,,
,,,FLG:B:460,valid,,,,,CCNC(=S)Nc1ccc(c(c1)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O,
,,,GOL:A:459,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:459,invalid,,,,,C(C(CO)O)O,
,,,GTM BGC BGC:F:1,valid,,,,,S(C1C(O)C(O)C(OC)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,GTM BGC BGC:D:1,valid,,,,,S(C1C(O)C(O)C(OC)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,GTM BGC BGC GDA:C:1,valid,,,,,S(C1C(O)C(O)C(OC)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C([NH3+])C(CO)O3)C(CO)O2)C(CO)O1,
,,,GTM BGC BGC GDA:E:1,valid,,,,,S(C1C(O)C(O)C(OC)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C([NH3+])C(CO)O3)C(CO)O2)C(CO)O1,
,,,NAG:A:451,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:451,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2BVW,,,,,,,
,,,BGC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC BGC BGC:D:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,1OCJ,,,,,,,
,,,ACY:A:507,invalid,,,,,CC(=O)O,
,,,MG:A:506,invalid,,,,,[Mg+2],
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MA3 SGC SSG SSG BGC:B:1,valid,,,,,S(C1C(O)C(O)C(SC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(SC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,1OC5,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,MGL SGC BGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1GZ1,,,,,,,
,,,MGL SGC BGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(OC2C(O)C(O)C(OC)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1OCN,,,,,,,
,,,CA:A:456,Part of Protein,,,,,[Ca+2],
,,,CA:A:457,Part of Protein,,,,,[Ca+2],
,,,IFM BGC:A:452,valid,,,,,O(C1C(O)C[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,IFM BGC:A:454,valid,,,,,O(C1C(O)C[NH2+]CC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG:A:451,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2RG0,,,,,,,
,,,BGC BGC:F:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:H:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:J:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1FH8,,,,,,,
,,,XYP XIF:A:601,valid,Ki,=,0.13,uM,O(C1C(O)C(O)C(O)CO1)C1C(O)C[NH2+]CC1,
,,1FH7,,,,,,,
,,,XYP XDN:A:601,valid,Ki,=,5.8,uM,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)C[NH2+]C1,
,,1FHD,,,,,,,
,,,XYP XIM:A:601,valid,Ki,=,0.15,uM,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)c2n(ccn2)C1,
,,1J01,,,,,,,
,,,XIL:A:601,valid,Ki,=,0.34,uM,C1CNC(=O)[C@H]([C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O,
,,1FH9,,,,,,,
,,,LOX XYP:B:1,valid,Ki,=,0.37,uM,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)C(=NO)NC1,
,Family. Representative Entry is ,1DY4,,,,,,,
,,,CO:A:470,Part of Protein,,,,,[Co+2],
,,,CO:A:471,Part of Protein,,,,,[Co+2],
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:436,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SNP:A:437,valid,Ki,=,44,uM,CC(C)NC[C@@H](COc1cccc2c1cccc2)O,
,,5CEL,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CO:A:1000,Part of Protein,,,,,[Co+2],
,,,CO:A:461,Part of Protein,,,,,[Co+2],
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4D5J,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,CO:A:435,Part of Protein,,,,,[Co+2],
,,,CO:A:436,Part of Protein,,,,,[Co+2],
,,,NAG:A:437,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4D5Q,,,,,,,
,,,XYP:A:444,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
,,,CO:A:435,Part of Protein,,,,,[Co+2],
,,,CO:A:436,Part of Protein,,,,,[Co+2],
,,,XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(O)CO1)C1C(O)C(O)COC1,
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,NAG:A:437,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4D5V,,,,,,,
,,,CO:A:1435,Part of Protein,,,,,[Co+2],
,,,NAG:A:1436,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,XLS XYP:C:1,valid,,,,,,
,,4D5I,,,,,,,
,,,XYP XYP XYP:B:1,valid,,,,,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,CO:A:1436,Part of Protein,,,,,[Co+2],
,,,CO:A:1437,Part of Protein,,,,,[Co+2],
,,,NAG:A:1438,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:1443,invalid,,,,,C(COCCO)O,
,,,PEG:A:1442,invalid,,,,,C(COCCO)O,
,,4D5O,,,,,,,
,,,CO:A:1435,Part of Protein,,,,,[Co+2],
,,,CO:A:1436,Part of Protein,,,,,[Co+2],
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,NAG:A:1437,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:1443,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4C4D,,,,,,,
,,,CO:A:435,Part of Protein,,,,,[Co+2],
,,,CO:A:436,Part of Protein,,,,,[Co+2],
,,,CO:A:437,Part of Protein,,,,,[Co+2],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,NAG:A:438,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:439,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,G2F BGC BGC BGC BGC BGC:C:1,invalid,,,,,FC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(OC6C(O)C(O)C(O)C(CO)O6)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)OC1,
,,,PEG:A:440,invalid,,,,,C(COCCO)O,
,,3CEL,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CD:A:1000,invalid,,,,,[Cd+2],
,,,CD:A:438,invalid,,,,,[Cd+2],
,,,CD:A:439,invalid,,,,,[Cd+2],
,,,CD:A:440,invalid,,,,,[Cd+2],
,,,CD:A:441,invalid,,,,,[Cd+2],
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6GRN,,,,,,,
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,CO:A:503,Part of Protein,,,,,[Co+2],
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,F9B:A:504,valid,,,,,c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O,
,,4D5P,,,,,,,
,,,CO:A:435,Part of Protein,,,,,[Co+2],
,,,CO:A:436,Part of Protein,,,,,[Co+2],
,,,XYP XYP XYP XYP:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,NAG:A:437,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6CEL,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CO:A:1000,Part of Protein,,,,,[Co+2],
,,,CO:A:461,Part of Protein,,,,,[Co+2],
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:436,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4C4C,,,,,,,
,,,NAG:A:1438,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1437,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CO:A:1435,Part of Protein,,,,,[Co+2],
,,,CO:A:437,invalid,,,,,[Co+2],
,,,CO:A:1436,Part of Protein,,,,,[Co+2],
,,,PEG:A:1440,invalid,,,,,C(COCCO)O,
,,,PEG:A:1441,invalid,,,,,C(COCCO)O,
,,,PEG:A:1439,invalid,,,,,C(COCCO)O,
,,,BGC BGC BGC BGC BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(O)C(O)C(CO)O5)C(CO)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,7CEL,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CO:A:1000,Part of Protein,,,,,[Co+2],
,,,CO:A:461,Part of Protein,,,,,[Co+2],
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4V20,,,,,,,
,,,ZN:A:1442,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1441,Part of Protein,,,,,[Zn+2],
,,,ACT:A:1445,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1444,invalid,,,,,CC(=O)[O-],
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SHG BGC:B:1,valid,,,,,,
,Family. Representative Entry is ,1Z3V,,,,,,,
,,,NAG:A:600,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC GAL:B:1,valid,Kd,=,77,uM,OCC1C(O)C(O)C(O)C(O)O1,
,,1Z3W,,,,,,,
,,,IDC:A:600,valid,,,,,c1cn2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1H46,,,,,,,
,,,NAG:X:1432,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RNP:X:1433,valid,Ki,=,270,uM,CC(C)N=C[C@H](COc1cccc2c1cccc2)O,
,,1Z3T,,,,,,,
,,,NAG:A:600,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BGC BGC:B:1,valid,Kd,=,115,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,4HAQ,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,4IPM,,,,,,,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,SGC BGC:B:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2RFY,,,,,,,
,,,BGC BGC:H:1,valid,Kd,~,6,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:E:1,valid,Kd,~,6,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:G:1,valid,Kd,~,6,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:F:1,valid,Kd,~,6,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,4JJJ,,,,,,,
,,,CA:A:705,Part of Protein,,,,,[Ca+2],
,,,CA:A:706,Part of Protein,,,,,[Ca+2],
,,,CA:A:707,Part of Protein,,,,,[Ca+2],
,,,CA:A:704,Part of Protein,,,,,[Ca+2],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:A:710,Part of Protein,,,,,[Na+],
,,,ZN:A:723,Part of Protein,,,,,[Zn+2],
,,,ZN:A:732,Part of Protein,,,,,[Zn+2],
,,,ZN:A:722,Part of Protein,,,,,[Zn+2],
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:730,Part of Protein,,,,,[Zn+2],
,,,ZN:A:720,invalid,,,,,[Zn+2],
,,,ZN:A:721,invalid,,,,,[Zn+2],
,,,ZN:A:717,Part of Protein,,,,,[Zn+2],
,,,ZN:A:733,Part of Protein,,,,,[Zn+2],
,,,ZN:A:724,Part of Protein,,,,,[Zn+2],
,,,ZN:A:734,Part of Protein,,,,,[Zn+2],
,,,ZN:A:728,Part of Protein,,,,,[Zn+2],
,,,ZN:A:716,Part of Protein,,,,,[Zn+2],
,,,ZN:A:727,Part of Protein,,,,,[Zn+2],
,,,ZN:A:726,invalid,,,,,[Zn+2],
,,,ZN:A:718,Part of Protein,,,,,[Zn+2],
,,,ZN:A:731,Part of Protein,,,,,[Zn+2],
,,,ZN:A:725,invalid,,,,,[Zn+2],
,,,ZN:A:729,invalid,,,,,[Zn+2],
,,,ZN:A:735,invalid,,,,,[Zn+2],
,,,ZN:A:715,Part of Protein,,,,,[Zn+2],
,,,FE:A:711,Part of Protein,,,,,[Fe+3],
,,,FE:A:713,Part of Protein,,,,,[Fe+3],
,,,FE:A:714,Part of Protein,,,,,[Fe+3],
,,,FE:A:712,Part of Protein,,,,,[Fe+3],
,,,ACT:A:737,invalid,,,,,CC(=O)[O-],
,,,ACT:A:736,invalid,,,,,CC(=O)[O-],
,,,EDO:A:738,invalid,,,,,C(CO)O,
,,,BGC BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC BGC:C:1,valid,,,,,,
,Family. Representative Entry is ,4A05,,,,,,,
,,,LI:A:504,invalid,,,,,[Li+],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC BGC BGC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1Q2E,,,,,,,
,,,CA:B:499,Part of Protein,,,,,[Ca+2],
,,,MGL SGC GLC GLC:D:1,valid,,,,,,
,,,MGL SGC GLC GLC:C:1,valid,,,,,,
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:436,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1CEL,,,,,,,
,,,BGC IBZ:A:437,valid,,,,,,
,,,CA:A:440,Part of Protein,,,,,[Ca+2],
,,,GLC IBZ:B:437,valid,,,,,,
,,,NAG:A:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:435,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
1.2.1.38,,,,,,,,,
,Family. Representative Entry is ,2I3G,,,,,,,
,,,BTB:A:600,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:700,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
3.4.24.44,,,,,,,,,
,Family. Representative Entry is ,1KUK,,,,,,,
,,,CD:A:801,invalid,,,,,[Cd+2],
,,,CD:A:802,invalid,,,,,[Cd+2],
,,,CD:A:803,invalid,,,,,[Cd+2],
,,,CD:A:804,invalid,,,,,[Cd+2],
,,,CD:A:805,invalid,,,,,[Cd+2],
,,,CD:A:806,invalid,,,,,[Cd+2],
,,,CD:A:807,invalid,,,,,[Cd+2],
,,,CD:A:808,invalid,,,,,[Cd+2],
,,,CD:A:809,invalid,,,,,[Cd+2],
,,,CD:A:810,invalid,,,,,[Cd+2],
,,,PCA LYS TRP:B:251,valid,Ki,=,0.124,mM,O=C([O-])C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)CCCC[NH3+])Cc1c2c([nH]c1)cccc2,
,,1KUI,,,,,,,
,,,CD:A:801,invalid,,,,,[Cd+2],
,,,CD:A:802,invalid,,,,,[Cd+2],
,,,CD:A:803,invalid,,,,,[Cd+2],
,,,CD:A:804,invalid,,,,,[Cd+2],
,,,CD:A:805,invalid,,,,,[Cd+2],
,,,CD:A:806,invalid,,,,,[Cd+2],
,,,CD:A:807,invalid,,,,,[Cd+2],
,,,CD:A:808,invalid,,,,,[Cd+2],
,,,CD:A:809,invalid,,,,,[Cd+2],
,,,CD:A:810,invalid,,,,,[Cd+2],
,,,PCA GLN TRP:B:251,valid,Ki,=,0.169,mM,O=C([O-])C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)CCC(=O)N)Cc1c2c([nH]c1)cccc2,
,,1KUG,,,,,,,
,,,CD:A:981,invalid,,,,,[Cd+2],
,,,CD:A:982,invalid,,,,,[Cd+2],
,,,CD:A:983,invalid,,,,,[Cd+2],
,,,CD:A:984,invalid,,,,,[Cd+2],
,,,CD:A:985,invalid,,,,,[Cd+2],
,,,CD:A:986,invalid,,,,,[Cd+2],
,,,CD:A:987,invalid,,,,,[Cd+2],
,,,CD:A:988,invalid,,,,,[Cd+2],
,,,CD:A:989,invalid,,,,,[Cd+2],
,,,CD:A:990,invalid,,,,,[Cd+2],
,,,CD:A:991,invalid,,,,,[Cd+2],
,,,PCA ASN TRP:B:251,valid,Ki,=,0.00016,M,O=C([O-])C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)CC(=O)N)Cc1c2c([nH]c1)cccc2,
3.1.11.2,,,,,,,,,
,Family. Representative Entry is ,3U3Y,,,,,,,
,,,BU1:A:315,invalid,,,,,C(CCO)CO,
,,,CA:C:5,Part of Protein,,,,,[Ca+2],
,,,CA:D:5,Part of Protein,,,,,[Ca+2],
,,,DG  DA  DC  DG:C:1,valid,,,,,,
,,,DG  DA  DC  DG:D:1,valid,,,,,,
,,3U6F,,,,,,,
,,,BU1:A:315,invalid,,,,,C(CCO)CO,
,,,BU1:B:315,invalid,,,,,C(CCO)CO,
,,,DG  DA  DC  DG:C:1,valid,,,,,,
,,,DG  DA  DC  DG:D:1,valid,,,,,,
,,,MG:C:5,Part of Protein,,,,,[Mg+2],
,,,MG:D:5,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3B6O,,,,,,,
,,,LI:A:800,Part of Protein,,,,,[Li+],
,,,LI:B:800,Part of Protein,,,,,[Li+],
,,,LI:C:800,Part of Protein,,,,,[Li+],
,,,LI:D:800,Part of Protein,,,,,[Li+],
,,,TMP:A:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2OA8,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,DG  DA  DC  DG:C:1,valid,,,,,,
,,,DG  DA  DC  DG:D:1,valid,,,,,,
,,3B6P,,,,,,,
,,,NA:A:801,Part of Protein,,,,,[Na+],
,,,NA:B:801,Part of Protein,,,,,[Na+],
,,,NA:C:801,Part of Protein,,,,,[Na+],
,,,NA:D:801,Part of Protein,,,,,[Na+],
,,,TMP:A:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,,ZN:B:800,Part of Protein,,,,,[Zn+2],
,,,ZN:C:800,Part of Protein,,,,,[Zn+2],
,,,ZN:D:800,Part of Protein,,,,,[Zn+2],
,,2O4G,,,,,,,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,MG:C:801,Part of Protein,,,,,[Mg+2],
,,,MG:D:800,Part of Protein,,,,,[Mg+2],
,,,MG:D:801,Part of Protein,,,,,[Mg+2],
,,,TMP:A:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:1000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,2IOC,,,,,,,
,,,D5M:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,D5M:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N,
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3G2C,,,,,,,
,,,DC  DG  DT  DA:I:1,valid,,,,,,
,,,GOL:A:266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:267,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:274,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:5,invalid,,,,,C(C(CO)O)O,
,,,MG:A:271,Part of Protein,,,,,[Mg+2],
,,,MG:B:266,Part of Protein,,,,,[Mg+2],
,,,PO4:A:272,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:273,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:267,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6A46,,,,,,,
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,invalid,,,,,[Ca+2],
,,,CA:B:304,invalid,,,,,[Ca+2],
,,,DCM:A:303,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,DCM:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O,
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JC4,,,,,,,
,,,1PE:A:1259,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2HP:A:1261,valid,,,,,OP(=O)(O)[O-],
,,,ACT:A:1260,invalid,,,,,CC(=O)[O-],
,,,MG:A:1256,Part of Protein,,,,,[Mg+2],
,,,NA:A:1257,Part of Protein,,,,,[Na+],
,,,NA:A:1258,Part of Protein,,,,,[Na+],
1.4.3.3,,,,,,,,,
,Family. Representative Entry is ,3WGT,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QSC:A:402,valid,,,,,C[C@H](c1ccccc1)N,
,,,QSC:B:402,valid,,,,,C[C@H](c1ccccc1)N,
,,1VE9,,,,,,,
,,,BEZ:A:352,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1352,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FAD:A:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1EVI,,,,,,,
,,,2PC:A:352,valid,,,,,C1CC(=[NH+]C1)C(=O)[O-],
,,,2PC:B:354,valid,,,,,C1CC(=[NH+]C1)C(=O)[O-],
,,,FAD:A:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:353,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1AN9,,,,,,,
,,,BE2:A:352,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,BE2:B:352,valid,,,,,c1ccc(c(c1)C(=O)O)N,
,,,FAD:A:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:351,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3ZNN,,,,,,,
,,,GOL:A:1346,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1347,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1345,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,4WL:A:360,valid,Ki,=,3.5,nM,c1csc2c1[nH]c(c2)C(=O)O,
,,,4WL:B:360,valid,Ki,=,3.5,nM,c1csc2c1[nH]c(c2)C(=O)O,
,,3ZNO,,,,,,,
,,,SE5:A:360,valid,Ki,=,7.2,nM,c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl,
,,,SE5:B:360,valid,Ki,=,7.2,nM,c1cc(ccc1CCc2cc([nH]c2)C(=O)O)Cl,
,,,FAD:B:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,3ZNP,,,,,,,
,,,GOL:A:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1342,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:350,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SE2:A:360,valid,Ki,=,13,nM,c1ccc2c(c1)C=C(C(=O)O2)O,
,,3G3E,,,,,,,
,,,FAD:A:352,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:352,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:352,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:352,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G3E:A:353,valid,ic50,=,4,nM,c1ccc2c(c1)C=C(C(=O)N2)O,
,,,G3E:B:353,valid,ic50,=,4,nM,c1ccc2c(c1)C=C(C(=O)N2)O,
,,,G3E:C:353,valid,ic50,=,4,nM,c1ccc2c(c1)C=C(C(=O)N2)O,
,,,G3E:D:353,valid,ic50,=,4,nM,c1ccc2c(c1)C=C(C(=O)N2)O,
,,4QFC,,,,,,,
,,,K:B:401,Part of Protein,,,,,[K+],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,31T:A:402,valid,Ki,=,9.6,nM,c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O,
,,,31T:B:403,valid,Ki,=,9.6,nM,c1ccc(cc1)C2=CC(=O)Oc3c2cc(c(c3)O)CCC4=NNC(=O)C(=C4)O,
,,3CUK,,,,,,,
,,,4P5:A:402,valid,ic50,=,141,nM,c1coc2c1[nH]c(c2)C(=O)O,
,,,4P5:B:402,valid,ic50,=,141,nM,c1coc2c1[nH]c(c2)C(=O)O,
,,,4P5:C:402,valid,ic50,=,141,nM,c1coc2c1[nH]c(c2)C(=O)O,
,,,4P5:D:402,valid,ic50,=,141,nM,c1coc2c1[nH]c(c2)C(=O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2DU8,,,,,,,
,,,BEZ:A:352,valid,Ki,=,7,uM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1352,valid,Ki,=,7,uM,c1ccc(cc1)C(=O)O,
,,,BEZ:G:2352,valid,Ki,=,7,uM,c1ccc(cc1)C(=O)O,
,,,BEZ:J:3352,valid,Ki,=,7,uM,c1ccc(cc1)C(=O)O,
,,,FAD:A:351,valid,Kd,=,8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1351,valid,Kd,=,8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:2351,valid,Kd,=,8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:3351,valid,Kd,=,8,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3W4I,,,,,,,
,,,FAD:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,8LG:B:402,valid,ic50,=,1150,nM,c1cc(c(nc1)O)O,
,,,8LG:D:402,valid,ic50,=,1150,nM,c1cc(c(nc1)O)O,
,,,8LG:C:402,valid,ic50,=,1150,nM,c1cc(c(nc1)O)O,
,,,8LG:A:402,valid,ic50,=,1150,nM,c1cc(c(nc1)O)O,
,Family. Representative Entry is ,1C0I,,,,,,,
,,,BE2:A:1364,valid,Kd,=,2,mM,c1ccc(c(c1)C(=O)O)N,
,,,BE2:A:1365,valid,Kd,=,2,mM,c1ccc(c(c1)C(=O)O)N,
,,,FAD:A:1363,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1C0P,,,,,,,
,,,DAL FAD PER:A:1364,valid,Kd,=,3,mM,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(OOOC(=O)C([NH3+])C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,GOL:A:1366,invalid,,,,,C(C(CO)O)O,
,,1C0L,,,,,,,
,,,FAD:A:1363,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FLA:A:1364,valid,Kd,=,6.2,mM,[C@H](C(=O)O)(C(F)(F)F)N,
,,1C0K,,,,,,,
,,,FAD:A:1363,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,LAC:A:1364,valid,,,,,C[C@H](C(=O)O)O,
3.4.21.38,,,,,,,,,
,Family. Representative Entry is ,6B74,,,,,,,
,,,ASN GLY PRO LEU SER CYS GLY GLN ARG:A:335,invalid,,,,,,
,,,IOD:B:303,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,BEN:B:301,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
1.14.11.29,,,,,,,,,
,Family. Representative Entry is ,6NMQ,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,KU1:A:402,valid,ic50,=,0.00000001,M,c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O,
,,6QGV,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,J2H:A:502,valid,ic50,=,0.127,uM,Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6,
,,4JZR,,,,,,,
,,,4JR:A:402,valid,ic50,=,15.8,nM,Cn1ccnc1CN2CCC3(CC2)CCN(C3=O)c4ccc(cc4)c5ccccc5,
,,,NI:A:401,Part of Protein,,,,,[Ni+2],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,4BQW,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,QNM:A:901,valid,,,,,CN1c2ccccc2C(=O)C(=C1O)C(=O)NCC(=O)O,
,,5LBC,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UN9:A:503,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,,BCT:A:508,invalid,,,,,C(=O)(O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,4BQX,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:601,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,2Y34,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,UN9:A:601,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,,UN9:A:602,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,5L9R,,,,,,,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:503,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5LBF,,,,,,,
,,,BCT:A:505,invalid,,,,,C(=O)(O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,6YW0,,,,,,,
,,,2JP:A:502,valid,,,,,c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,4BQY,,,,,,,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,FNT:A:601,valid,,,,,C[C@@H](C(=O)O)NC(=O)c1c(c2ccccc2c(n1)Cl)O,
,,5OX5,,,,,,,
,,,B2E:A:502,valid,ic50,=,2.6,uM,CN1C(=C(C(=O)N(C1=O)C)C(=O)NCC(=O)O)O,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5OX6,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A1Z:A:502,valid,ic50,=,0.029,uM,c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O,
,,6YVZ,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,PW8:A:502,valid,,,,,c1cc2cnc(cc2c(c1)Br)NC(=O)CCC(=O)O,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,5LAT,,,,,,,
,,,BCT:A:504,invalid,,,,,C(=O)(O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,5V18,,,,,,,
,,,8UY:A:503,valid,,,,,c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE2:A:504,Part of Protein,,,,,[Fe+2],
,,6YVW,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,PW5:A:502,valid,,,,,Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O,
,,2G1M,,,,,,,
,,,4HG:A:701,valid,,,,,c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I,
,,,FE2:A:600,Part of Protein,,,,,[Fe+2],
,,6ST3,,,,,,,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,LUW:A:601,valid,ic50,=,0.256,uM,c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4,
,,,LUW:B:502,valid,ic50,=,0.256,uM,c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(nc3O)n4cccn4,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,2Y33,,,,,,,
,,,UN9:A:901,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,5LB6,,,,,,,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,6YVX,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,2JP:A:502,valid,,,,,c1ccc2cnc(cc2c1)NC(=O)CCC(=O)O,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,2G19,,,,,,,
,,,4HG:A:801,valid,,,,,c1cc2c(cnc(c2O)C(=O)NCC(=O)O)c(c1)I,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,5LBE,,,,,,,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,4UWD,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:601,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,,5LBB,,,,,,,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,Family. Representative Entry is ,6TP5,,,,,,,
,,,TBU:A:717,invalid,,,,,CC(C)(C)O,
,,,TBU:B:717,invalid,,,,,CC(C)(C)O,
,,,TBU:B:715,invalid,,,,,CC(C)(C)O,
,,,TBU:A:703,invalid,,,,,CC(C)(C)O,
,,,TBU:B:718,invalid,,,,,CC(C)(C)O,
,,,TBU:A:716,invalid,,,,,CC(C)(C)O,
,,,TBU:A:718,invalid,,,,,CC(C)(C)O,
,,,TBU:B:716,invalid,,,,,CC(C)(C)O,
,,,CA:B:719,Part of Protein,,,,,[Ca+2],
,,,CA:A:722,Part of Protein,,,,,[Ca+2],
,,,CA:B:720,Part of Protein,,,,,[Ca+2],
,,,CA:A:721,Part of Protein,,,,,[Ca+2],
,,,OGA:B:701,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:701,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLY:A:719,invalid,,,,,C(C(=O)O)N,
,,,GLY:A:720,invalid,,,,,C(C(=O)O)N,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,FE2:B:702,Part of Protein,,,,,[Fe+2],
,,,FE2:A:702,Part of Protein,,,,,[Fe+2],
,,,CL:A:723,invalid,,,,,[Cl-],
,,,CL:A:724,invalid,,,,,[Cl-],
,,,NAG NAG BMA MAN MAN MAN BMA MAN MAN MAN:F:1,invalid,,,,,,
,Family. Representative Entry is ,5L9B,,,,,,,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,6YW2,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,UN9:A:502,valid,,,,,c1ccc2c(c1)c(c(nc2Cl)C(=O)NCC(=O)O)O,
,Family. Representative Entry is ,6YW4,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,5V1B,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8UY:A:504,valid,ic50,=,0.034,uM,c1cc(n2c(c1)ncn2)c3ccc(cc3)C#N,
,,,FE:A:503,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6YW3,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,Family. Representative Entry is ,5L9V,,,,,,,
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,5LAS,,,,,,,
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6YW1,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,BCT:A:503,invalid,,,,,C(=O)(O)[O-],
2.1.1.346,,,,,,,,,
,Family. Representative Entry is ,6GFK,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
3.1.1.74,,,,,,,,,
,Family. Representative Entry is ,6THT,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:301,invalid,,,,,c1c[nH+]c[nH]1,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
3.5.4.3,,,,,,,,,
,Family. Representative Entry is ,4AQL,,,,,,,
,,,TXC:A:1452,valid,,,,,CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N,
,,,ZN:A:1451,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6OHA,,,,,,,
,,,1PE:A:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:504,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XAN:A:501,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=O)N2,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
1.6.99.7,,,,,,,,,
,Family. Representative Entry is ,1ICV,,,,,,,
,,,FMN:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:705,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:707,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NIO:A:704,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:B:702,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:C:708,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:D:706,valid,,,,,c1cc(cnc1)C(=O)O,
,Family. Representative Entry is ,1HDR,,,,,,,
,,,NAD:A:244,valid,Kd,=,0.034,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1DHR,,,,,,,
,,,NAD:A:241,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1YKI,,,,,,,
,,,CIT:C:4220,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DMS:B:1225,invalid,,,,,CS(=O)C,
,,,DMS:C:1223,invalid,,,,,CS(=O)C,
,,,DMS:C:1224,invalid,,,,,CS(=O)C,
,,,FMN:A:1218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:3218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NFZ:A:1219,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,,NFZ:B:2219,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,,NFZ:C:3219,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,,NFZ:D:4219,valid,,,,,c1cc(oc1C=NNC(=O)N)[N+](=O)[O-],
,,1OO6,,,,,,,
,,,FMN:A:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:220,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SN2:A:219,valid,,,,,c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,SN2:A:221,valid,,,,,c1c(c(cc(c1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,1OO5,,,,,,,
,,,FMN:A:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:219,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1YLU,,,,,,,
,,,ACT:A:2219,valid,,,,,CC(=O)[O-],
,,,ACT:A:3219,valid,,,,,CC(=O)[O-],
,,,ACT:B:1219,valid,,,,,CC(=O)[O-],
,,,FMN:A:1218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1ICU,,,,,,,
,,,FMN:A:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:220,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:222,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:224,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NIO:A:221,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:B:219,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:C:225,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:D:223,valid,,,,,c1cc(cnc1)C(=O)O,
,,1DS7,,,,,,,
,,,FMN:A:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1ICR,,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NIO:A:604,valid,,,,,c1cc(cnc1)C(=O)O,
,,,NIO:B:602,valid,,,,,c1cc(cnc1)C(=O)O,
,,1IDT,,,,,,,
,,,CB1:A:1219,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,CB1:A:2219,valid,,,,,c1c(c(cc(c1N2CC2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N,
,,,FMN:A:1218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1OON,,,,,,,
,,,BEL:A:362,valid,,,,,c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O,
,,,FMN:A:360,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:361,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1YLR,,,,,,,
,,,ACT:A:1219,valid,,,,,CC(=O)[O-],
,,,ACT:B:2219,valid,,,,,CC(=O)[O-],
,,,FMN:A:1218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1OOQ,,,,,,,
,,,DTC:B:222,valid,,,,,c1ccc2c(c1)C(=O)C(C(=O)O2)CC3C(=O)c4ccccc4OC3=O,
,,,FMN:A:218,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:219,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.2.1.68,,,,,,,,,
,Family. Representative Entry is ,4OKD,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,invalid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC:A:1008,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
1.1.1.376,,,,,,,,,
,Family. Representative Entry is ,6JNK,,,,,,,
,,,NAP:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
1.11.2.4,,,,,,,,,
,Family. Representative Entry is ,6FYJ,,,,,,,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,MYR:A:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
1.5.1.15,,,,,,,,,
,Family. Representative Entry is ,6KG2,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,D8C:B:500,valid,ic50,=,0.048,uM,Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C,
,,,D8C:A:500,valid,ic50,=,0.048,uM,Cc1c(ccc2c1OC(=O)C3=C2CCN(C3)C(=O)c4ccc(c(c4)Cl)NS(=O)(=O)C)N5CCN(CC5)C,
,,5TC4,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,L34:A:402,valid,ic50,=,663,nM,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(nc(n4)N)O)N3C2=O,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6JID,,,,,,,
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,BQC:B:402,valid,ic50,=,8.3,uM,c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5,
,,,BQC:A:401,valid,ic50,=,8.3,uM,c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c4ccc5c(c4)CS(=O)(=O)N5,
,,6JIB,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BQF:B:402,valid,ic50,=,1.6,uM,c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2,
,,,BQF:B:401,valid,ic50,=,1.6,uM,c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2,
,,,BQF:A:403,valid,ic50,=,1.6,uM,c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2,
,,,BQF:A:401,valid,ic50,=,1.6,uM,c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4ccc(cc4)C(=O)O)C(=O)O2,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
1.17.1.3,,,,,,,,,
,Family. Representative Entry is ,3I6I,,,,,,,
,,,ACY:A:360,invalid,,,,,CC(=O)O,
,,,NDP:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3I6Q,,,,,,,
,,,NDP:A:360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3I52,,,,,,,
,,,KXN:A:501,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.7.10.2,,,,,,,,,
,Family. Representative Entry is ,4TWP,,,,,,,
,,,NI:A:602,Part of Protein,,,,,[Ni+2],
,,,NI:B:602,Part of Protein,,,,,[Ni+2],
,,,NI:B:603,Part of Protein,,,,,[Ni+2],
,,,NI:A:603,Part of Protein,,,,,[Ni+2],
,,,AXI:A:601,valid,Ki,=,100,pM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,,AXI:B:601,valid,Ki,=,100,pM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,,NA:A:605,invalid,,,,,[Na+],
,,,NA:B:604,invalid,,,,,[Na+],
,,,NA:A:604,invalid,,,,,[Na+],
,,3IK3,,,,,,,
,,,0LI:A:1,valid,ic50,=,2,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:B:2,valid,ic50,=,2,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,3QRJ,,,,,,,
,,,919:A:2,valid,ic50,=,4,nM,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,,919:B:1,valid,ic50,=,4,nM,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,3OY3,,,,,,,
,,,XY3:A:1,valid,ic50,=,35.8,nM,Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO,
,,,XY3:B:1,valid,ic50,=,35.8,nM,Cc1ccc(cc1C#Cc2cnc(n2C)C(=O)N)C(=O)Nc3ccc(c(c3)C(F)(F)F)CN4CCN(CC4)CCO,
,,5HU9,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,66K:A:601,valid,Kd,=,24.2,nM,Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,66K:A:602,valid,Kd,=,24.2,nM,Cc1ccc(cc1OC2CCN(CC2)C(=O)c3cccnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,CL:A:615,invalid,,,,,[Cl-],
,,2G2H,,,,,,,
,,,P16:A:532,valid,Ki,~,1,uM,CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl,
,,,P16:B:532,valid,Ki,~,1,uM,CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl,
,,6BL8,,,,,,,
,,,PVB:B:601,valid,,,,,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O,
,,,PVB:A:601,valid,,,,,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3PYY,,,,,,,
,,,2PE:B:170,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,3YY:A:538,valid,,,,,c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4,
,,,3YY:B:532,valid,,,,,c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4,
,,,GOL:B:60,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STI:A:3,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:4,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,1OPJ,,,,,,,
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,MYR:A:1,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:2,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,STI:A:3,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:4,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,3CS9,,,,,,,
,,,NIL:A:600,valid,ic50,<,33,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F,
,,,NIL:B:600,valid,ic50,<,33,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F,
,,,NIL:C:600,valid,ic50,<,33,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F,
,,,NIL:D:600,valid,ic50,<,33,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F,
,,3MSS,,,,,,,
,,,MS7:A:516,valid,,,,,CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N,
,,,MS7:B:516,valid,,,,,CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N,
,,,MS7:C:516,valid,,,,,CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N,
,,,MS7:D:516,valid,,,,,CNC(=O)[C@H](Cc1ccc(cc1)OCc2ccccc2)N,
,,,STI:A:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:C:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:D:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,6NPV,,,,,,,
,,,2PE:B:606,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,STI:A:602,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:603,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,KWP:B:607,valid,ic50,=,0.00000001,M,c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl,
,,,KWP:A:603,valid,ic50,=,0.00000001,M,c1cc(c(cc1N2C[C@@H](C(=N2)NC(=O)c3ccncc3)CCO)Cl)Cl,
,,3KFA,,,,,,,
,,,B91:A:1,valid,ic50,=,25,nM,Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F,
,,,B91:B:1,valid,ic50,=,25,nM,Cc1ccc(cc1/C=C/n2cnc3c2ncnc3NC4CC4)C(=O)Nc5cc(cc(c5)n6cc(nc6)C)C(F)(F)F,
,,3MS9,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:A:517,invalid,,,,,[Cl-],
,,,CL:B:3,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,MS9:A:516,valid,,,,,COC(=O)c1ccc(cc1N)Cl,
,,,MS9:B:516,valid,,,,,COC(=O)c1ccc(cc1N)Cl,
,,,STI:A:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:1,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,6NPE,,,,,,,
,,,2PE:B:605,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KWD:B:604,valid,ic50,=,0.00000001,M,c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl,
,,,KWD:A:604,valid,ic50,=,0.00000001,M,c1cc(c(cc1c2csc(n2)NC(=O)CC#N)Cl)Cl,
,,,STI:A:603,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:603,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,2GQG,,,,,,,
,,,1N1:A:501,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:B:502,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,4WA9,,,,,,,
,,,AXI:A:9000,valid,Ki,=,3800,pM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,,AXI:B:9000,valid,Ki,=,3800,pM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,4XLI,,,,,,,
,,,1N1:A:601,valid,Kd,=,0.17,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:B:600,valid,Kd,=,0.17,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,2HYY,,,,,,,
,,,STI:A:600,valid,ic50,=,170,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:600,valid,ic50,=,170,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:C:600,valid,ic50,=,170,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:D:600,valid,ic50,=,170,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,2HZI,,,,,,,
,,,JIN:A:600,valid,ic50,=,70,nM,Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C,
,,,JIN:B:600,valid,ic50,=,70,nM,Cc1cc(ccc1F)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C,
,,3KF4,,,,,,,
,,,B90:A:1,valid,ic50,<,0.5,nM,Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2,
,,,B90:B:1,valid,ic50,<,0.5,nM,Cc1ccc2c(c1/C=C/n3cnc4c3ncnc4Nc5ccc(cc5)P(=O)(C)C)cn[nH]2,
,,3K5V,,,,,,,
,,,CL:A:5,invalid,,,,,[Cl-],
,,,STI:A:2,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:2,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STJ:A:1,valid,,,,,c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F,
,,,STJ:B:1,valid,,,,,c1cc(cc(c1)C(=O)N)c2cc(ncn2)Nc3ccc(cc3)OC(F)(F)F,
,,2HZ0,,,,,,,
,,,GIN:A:600,valid,ic50,=,330,nM,CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3,
,,,GIN:B:600,valid,ic50,=,330,nM,CCCc1ccc(cc1C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3,
,,6HD4,,,,,,,
,,,STI:A:604,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:602,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,FYW:B:601,valid,,,,,c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F,
,,,FYW:A:603,valid,,,,,c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cncnc4)OC(F)(F)F,
,,,CL:A:602,invalid,,,,,[Cl-],
,,3UE4,,,,,,,
,,,DB8:A:601,valid,,,,,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,,DB8:B:601,valid,,,,,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,6NPU,,,,,,,
,,,2PE:B:606,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,STI:A:601,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:602,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,KWV:B:605,valid,ic50,=,0.00000001,M,CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl,
,,,KWV:A:602,valid,ic50,=,0.00000001,M,CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2E2B,,,,,,,
,,,406:A:1001,valid,ic50,=,11,nM,Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C,
,,,406:B:1002,valid,ic50,=,11,nM,Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)C[N@@]5CC[C@@H](C5)N(C)C,
,,2V7A,,,,,,,
,,,627:A:1504,valid,Kd,=,0.005,uM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC,
,,,627:B:1504,valid,Kd,=,0.005,uM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC,
,,,MG:A:1505,Part of Protein,,,,,[Mg+2],
,,,MG:B:1505,Part of Protein,,,,,[Mg+2],
,,3QRI,,,,,,,
,,,919:A:500,valid,ic50,=,0.8,nM,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,,919:B:2,valid,ic50,=,0.8,nM,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,,NA:A:1,invalid,,,,,[Na+],
,,,NA:A:2,invalid,,,,,[Na+],
,,1FPU,,,,,,,
,,,PRC:A:1,valid,Ki,=,37,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4,
,,,PRC:B:2,valid,Ki,=,37,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccnc4,
,,6HD6,,,,,,,
,,,STI:A:603,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:601,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,FYH:A:602,valid,,,,,c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3CCOCC3,
,,,CL:A:601,invalid,,,,,[Cl-],
,,3OXZ,,,,,,,
,,,0LI:A:1,valid,ic50,=,8.6,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,2QOH,,,,,,,
,,,P3Y:A:1,valid,,,,,CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC,
,,,P3Y:B:1,valid,,,,,CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC,
,,1IEP,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:A:2,invalid,,,,,[Cl-],
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:B:3,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,STI:A:201,valid,ic50,=,100,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:202,valid,ic50,=,100,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,2F4J,,,,,,,
,,,VX6:A:514,valid,,,,,Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C,
,,3QRK,,,,,,,
,,,9DP:A:1,valid,ic50,=,57,nM,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)C[C@H](NC3)C(=O)O)NC(=O)Nc4cccc(c4Cl)Cl,
,,2HIW,,,,,,,
,,,7MP:A:531,valid,ic50,=,8,nM,Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F,
,,,7MP:B:531,valid,ic50,=,8,nM,Cc1ccc(cc1N2C=C3C=NC(=NC3=[N+](C2=O)C)N)NC(=O)c4cccc(c4)C(F)(F)F,
,,2Z60,,,,,,,
,,,P3Y:A:1,valid,,,,,CN(C)C(=O)c1cc(cnc1)c2cc3c(c[nH]c3nc2)c4ccccc4OC,
,Family. Representative Entry is ,3S9K,,,,,,,
,,,CIT:A:335,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,2BDJ,,,,,,,
,,,HET:A:800,valid,ic50,=,0.00045,uM,CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)n(cn3)CCc5cccc(c5)O,
,,5BMM,,,,,,,
,,,FUM ALC PFF PPN ORN:C:1,valid,Ki,=,0.01,uM,Fc1ccc(CC2C(=O)NC(Cc3ccc([N+](=O)[O-])cc3)C(=O)NCCCC(C(=O)[O-])NC(=O)CCC(=O)NC(CC3CCCCC3)C(=O)N2)cc1,
,,,FUM ALC PFF PPN ORN:D:1,valid,Ki,=,0.01,uM,Fc1ccc(CC2C(=O)NC(Cc3ccc([N+](=O)[O-])cc3)C(=O)NCCCC(C(=O)[O-])NC(=O)CCC(=O)NC(CC3CCCCC3)C(=O)N2)cc1,
,,3G6H,,,,,,,
,,,G6H:B:1,valid,ic50,=,4.6,nM,Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4cc(c(c(c4)OC)OC)OC)NC(=O)c5cccc(c5)C(F)(F)F,
,,4FIC,,,,,,,
,,,0UL:A:601,valid,ic50,=,20,uM,c1ccc(cc1)c2cn3c(cn2)nc(n3)N,
,,,0UL:B:601,valid,ic50,=,20,uM,c1ccc(cc1)c2cn3c(cn2)nc(n3)N,
,,3DQX,,,,,,,
,,,AMP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4MXO,,,,,,,
,,,DB8:B:601,valid,Kd,=,0.73,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,,DB8:A:601,valid,Kd,=,0.73,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,3F6X,,,,,,,
,,,IHH:A:1,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,IHH:B:1,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,IHH:C:1,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,IHH:D:1,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3)CC#N)Nc4cc([nH]n4)C5CC5,
,,3G6G,,,,,,,
,,,G6G:A:1,valid,ic50,=,2.8,nM,Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C,
,,,G6G:B:2,valid,ic50,=,2.8,nM,Cc1ccc(cc1Nc2c(cccn2)c3ncnc(n3)Nc4ccc(cc4)OC)NC(=O)c5ccc(cc5)CN6CCN(CC6)C,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,3U51,,,,,,,
,,,08X:A:1,valid,Kd,=,3.1,uM,c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=CC(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4,
,,,08X:B:2,valid,Kd,=,3.1,uM,c1ccc(cc1)C=CC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)/C=CC(=O)N2)C(=O)N)CCCNC(=O)c3cnccn3)CC4CCCCC4,
,,3F3T,,,,,,,
,,,1AU:A:1,valid,Kd,=,26,uM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4,
,,,1AU:A:534,valid,Kd,=,26,uM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3cccc4c3cccc4,
,,3EL8,,,,,,,
,,,PD5:A:601,valid,ic50,=,25,nM,CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(c4)C(F)(F)F)c(ncn2)N,
,,4LGG,,,,,,,
,,,VGG:A:601,valid,ic50,=,3,nM,Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N,
,,,VGG:B:601,valid,ic50,=,3,nM,Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N,
,,2OIQ,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,STI:A:1001,valid,Kd,=,42,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,4YBK,,,,,,,
,,,4B7:A:601,valid,Kd,=,15,nM,Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4ccc(cc4)Oc5ccccc5,
,,1YOL,,,,,,,
,,,S03:A:601,valid,,,,,COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O,
,,,S03:B:602,valid,,,,,COc1cccc(c1)c2cn(c3c2c(ncn3)N)c4ccc(cc4)CN5CCC(CC5)O,
,,3F3U,,,,,,,
,,,1AW:A:1,valid,Kd,=,18,uM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3,
,,,1AW:A:534,valid,Kd,=,18,uM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3,
,,,1AW:B:1,valid,Kd,=,18,uM,CC(C)(C)c1cc(n(n1)c2cccc(c2)N)NC(=O)Nc3ccccc3,
,,3U4W,,,,,,,
,,,08L:A:8,valid,ic50,=,0.13,uM,c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)NCC[C@H](NC(=O)C=CC(=O)N[C@H](C(=O)N2)CC3CCCCC3)C(=O)O)CCCNC(=O)c4cnccn4,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4O2P,,,,,,,
,,,11V:B:601,valid,Ki,=,0.2,uM,c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl,
,,,11V:A:601,valid,Ki,=,0.2,uM,c1ccc(cc1)[C@H](Cn2c3c(cn2)c(nc(n3)SCCN4CCOCC4)Nc5ccccc5)Cl,
,,2BDF,,,,,,,
,,,24A:A:600,valid,ic50,=,0.067,uM,CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N,
,,,24A:B:700,valid,ic50,=,0.067,uM,CCn1cnc2c1nc(nc2Nc3ccc(cc3)[P@](=O)(CP(=O)(O)O)O)C4CCC(CC4)N,
,,6WIW,,,,,,,
,,,I14:A:601,valid,Ki,=,7.7,nM,Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C,
,,,I14:B:601,valid,Ki,=,7.7,nM,Cc1ccc(cc1C#Cc2cn(c3c2c(ncn3)N)CCOC)NC(=O)C,
,,3GEQ,,,,,,,
,,,PP2:A:1,valid,,,,,CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N,
,,,PP2:B:2,valid,,,,,CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N,
,,3EN6,,,,,,,
,,,KS5:B:2,valid,ic50,=,0.235,uM,CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)N,
,,3UQG,,,,,,,
,,,B5A:A:1,valid,,,,,c1c2c(ncnc2n(n1)CC3CCNCC3)N,
,,,B5A:B:1,valid,,,,,c1c2c(ncnc2n(n1)CC3CCNCC3)N,
,,3UQF,,,,,,,
,,,BK5:A:1,valid,Ki,=,0.2,uM,CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N,
,,,BK5:B:1,valid,Ki,=,0.2,uM,CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N,
,,4U5J,,,,,,,
,,,RXT:B:601,valid,ic50,=,2.92,uM,c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4,
,,,RXT:A:601,valid,ic50,=,2.92,uM,c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4,
,,3G5D,,,,,,,
,,,1N1:A:1,valid,Kd,=,11,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:B:1,valid,Kd,=,11,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,GOL:A:534,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:534,invalid,,,,,C(C(CO)O)O,
,,3DQW,,,,,,,
,,,AGS:A:534,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:534,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:C:534,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:534,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,,,MG:C:3,Part of Protein,,,,,[Mg+2],
,,,MG:D:4,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5USZ,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,SKE:A:901,valid,Kd,=,106,nM,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,5UT4,,,,,,,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,DQX:A:901,valid,Kd,=,42,uM,c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F,
,,,DMS:A:904,invalid,,,,,CS(=O)C,
,,6G3C,,,,,,,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EKT:B:901,valid,,,,,CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C,
,,,EKT:A:901,valid,,,,,CC(C)CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O)C1(C)C)C,
,,4FVR,,,,,,,
,,,ATP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,6XJK,,,,,,,
,,,V4D:A:901,valid,,,,,c1cc(ccc1Nc2nc(nc(n2)Oc3ccc4c(c3)cc[nH]4)N)S(=O)(=O)N,
,,5I4N,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,5UT5,,,,,,,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:906,invalid,,,,,CC(=O)[O-],
,,,DMS:A:907,invalid,,,,,CS(=O)C,
,,,2HB:A:905,valid,,,,,c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5,
,,4FVQ,,,,,,,
,,,ACT:A:903,invalid,,,,,CC(=O)[O-],
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,ATP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,5UT0,,,,,,,
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,35R:A:903,valid,,,,,c1cc2c(cc1CN3CCOCC3)nc([nH]2)c4c(c[nH]n4)NC(=O)NC5CC5,
,,,DMS:A:905,invalid,,,,,CS(=O)C,
,,5UT6,,,,,,,
,,,ACT:A:908,invalid,,,,,CC(=O)[O-],
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:907,invalid,,,,,CS(=O)C,
,,,8MY:A:901,valid,Kd,=,57.3,uM,c1cc(ccc1C#N)Nc2nc(cc(n2)n3ccc(n3)CO)N,
,,5UT2,,,,,,,
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,3YT:A:903,valid,,,,,c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N,
,,5UT3,,,,,,,
,,,IK1:A:901,valid,,,,,c1ccc(cc1)c2cc(c(s2)NC(=O)N)C(=O)N,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:905,invalid,,,,,CC(=O)[O-],
,,5UT1,,,,,,,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,7DZ:A:905,valid,,,,,C[C@H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O)F)C,
,Family. Representative Entry is ,5WO4,,,,,,,
,,,B7V:A:2001,valid,ic50,=,0.1,nM,COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N,
,,,B7V:B:2001,valid,ic50,=,0.1,nM,COc1cc(ccc1Cl)Nc2c(cn(n2)[C@H]3COCC[C@@H]3C#N)C(=O)N,
,,6HZU,,,,,,,
,,,GYQ:A:1201,valid,ic50,=,5.5,nM,c1c2c(nc(n1)/N=C/3C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N,
,,,GYQ:B:1201,valid,ic50,=,5.5,nM,c1c2c(nc(n1)/N=C/3C=CC=NC3=O)N(C(=O)N2)C4CCC(CC4)CC#N,
,,6N78,,,,,,,
,,,KEP:A:1201,valid,Ki,=,0.21,nM,Cn1cc(c(n1)c2cc(ccc2OC(F)F)Cl)NC(=O)c3cnn4c3nccc4,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,4IVB,,,,,,,
,,,1J5:A:1201,valid,Ki,=,1.9,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O,
,,,1J5:B:1201,valid,Ki,=,1.9,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O,
,,4EI4,,,,,,,
,,,0Q2:A:1201,valid,Ki,=,1.8,nM,Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3,
,,,0Q2:B:1201,valid,Ki,=,1.8,nM,Cc1nc2cnc3c(c2n1[C@@H]4CCC[C@H](C4)O)CC=N3,
,,4IVC,,,,,,,
,,,1J6:B:1201,valid,Ki,=,0.1,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O,
,,,1J6:A:1201,valid,Ki,=,0.1,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CC#N)cc[nH]3)O,
,,3EYG,,,,,,,
,,,MI1:A:1,valid,ic50,=,1.6,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,,4K77,,,,,,,
,,,1Q4:A:1201,valid,Ki,=,235,nM,c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O,
,,,1Q4:B:1201,valid,Ki,=,235,nM,c1nc2c(c(n1)NC3CCCCC3)C=CNC2=O,
,,4EHZ,,,,,,,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:C:1202,invalid,,,,,C(CO)O,
,,,EDO:C:1203,invalid,,,,,C(CO)O,
,,,EDO:C:1204,invalid,,,,,C(CO)O,
,,,EDO:C:1205,invalid,,,,,C(CO)O,
,,,EDO:D:1202,invalid,,,,,C(CO)O,
,,,EDO:D:1203,invalid,,,,,C(CO)O,
,,,JAK:A:1201,valid,Ki,=,10,nM,Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3,
,,,JAK:B:1201,valid,Ki,=,10,nM,Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3,
,,,JAK:C:1201,valid,Ki,=,10,nM,Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3,
,,,JAK:D:1201,valid,Ki,=,10,nM,Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3,
,,6N77,,,,,,,
,,,KEJ:A:1201,valid,Ki,=,0.57,nM,Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4,
,,,KEJ:B:1202,valid,Ki,=,0.57,nM,Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cnn4c3nccc4,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,6DBN,,,,,,,
,,,G4J:A:4000,valid,ic50,=,17,nM,Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F,
,,6N7C,,,,,,,
,,,KF1:A:1201,valid,Ki,=,0.67,nM,COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5,
,,,KF1:B:1202,valid,Ki,=,0.67,nM,COc1cc2ccccc2cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,4I5C,,,,,,,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:B:1201,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,C5I:B:1205,valid,Ki,=,1.5,nM,c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N,
,,,C5I:A:1201,valid,Ki,=,1.5,nM,c1c[nH]c2c1c3c(cn2)nnn3[C@@H]4CCCN(C4)C(=O)CC#N,
,,4IVD,,,,,,,
,,,15T:B:1201,valid,Ki,=,0.3,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O,
,,,15T:A:1201,valid,Ki,=,0.3,nM,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)CCC#N)cc[nH]3)O,
,,5E1E,,,,,,,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,5JG:A:1202,valid,ic50,=,0.022,uM,COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4,
,,,5JG:B:1201,valid,ic50,=,0.022,uM,COc1cc(c(cc1OC)F)c2[nH]c3c(n2)c(c(cn3)Cl)NCC4CCNCC4,
,,6W8L,,,,,,,
,,,R4S:A:1201,valid,ic50,=,774,nM,c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F,
,,6SMB,,,,,,,
,,,LKQ:A:1201,valid,ic50,=,0.018,uM,Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C,
,,,LKQ:B:1201,valid,ic50,=,0.018,uM,Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4C)Nc5cn(nc5OC)C,
,,6N7A,,,,,,,
,,,KEV:B:1202,valid,Ki,=,4.3,nM,Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C,
,,,KEV:A:1203,valid,Ki,=,4.3,nM,Cn1cc2cncc(c2n1)C(=O)Nc3cn(nc3c4cc(ccc4OC)Cl)C,
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,6N7D,,,,,,,
,,,KF4:A:1201,valid,Ki,=,0.3,nM,COc1cc2c(cc1c3c(cn[nH]3)NC(=O)c4cnn5c4nccc5)cn[nH]2,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,6N7B,,,,,,,
,,,KEY:A:1201,valid,Ki,=,0.6,nM,Cn1cc(c(n1)c2cc(ccc2OC)Cl)NC(=O)c3cncc4c3[nH]nc4,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,4E5W,,,,,,,
,,,0NT:A:1201,valid,Ki,=,22,nM,CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4,
,,,0NT:B:1202,valid,Ki,=,22,nM,CC(C)N1CCC[C@H]1C(=O)N2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,6BBU,,,,,,,
,,,D7D:A:4000,valid,ic50,=,0.029,uM,CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2,
,,5HX8,,,,,,,
,,,66P:A:1201,valid,ic50,=,0.1,nM,c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N,
,,,66P:B:1201,valid,ic50,=,0.1,nM,c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N,
,,6TPF,,,,,,,
,,,NTQ:A:1201,valid,ic50,=,0.0064,uM,Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F,
,,,NTQ:B:1201,valid,ic50,=,0.0064,uM,Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O)[C@@H]4CC4(F)F,
,,3EYH,,,,,,,
,,,IZA:A:2001,valid,ic50,=,20,nM,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,4E4N,,,,,,,
,,,0NL:A:1201,valid,Ki,=,0.9,nM,CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3,
,,,0NL:B:1201,valid,Ki,=,0.9,nM,CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C1)n2cnc3c2c4cc[nH]c4nc3,
,,6AAH,,,,,,,
,,,9T6:A:1201,valid,,,,,c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,,9T6:B:1201,valid,,,,,c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,4E4L,,,,,,,
,,,0NH:A:1201,valid,Ki,=,1.7,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:A:1202,valid,Ki,=,1.7,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:B:1201,valid,Ki,=,1.7,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:D:1201,valid,Ki,=,1.7,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,4FK6,,,,,,,
,,,0UJ:A:1201,valid,Ki,=,0.2,nM,CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3,
,,,0UJ:B:1201,valid,Ki,=,0.2,nM,CS(=O)(=O)NCc1nc2cnc3c(c2n1[C@@H]4C[C@H]5CC[C@@H]4C5)cc[nH]3,
,,6N79,,,,,,,
,,,KES:A:1201,valid,Ki,=,0.21,nM,c1cnc2c(cnn2c1)C(=O)Nc3cn[nH]c3c4cc(ccc4OC(F)F)Cl,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3IOK,,,,,,,
,,,1P6:A:1201,valid,Ki,=,0.0002,uM,C[C@@H](c1ccc(cc1)F)Nc2cc(ncn2)c3c(nn4c3nccc4)N,
,,6TPD,,,,,,,
,,,QZ8:A:1201,valid,ic50,=,2.2,uM,Cc1c2c(n[nH]1)NC(=O)C=C2c3ccccc3,
,,3LPB,,,,,,,
,,,NVB:A:1133,valid,ic50,=,42,nM,CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC,
,,,NVB:B:1133,valid,ic50,=,42,nM,CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4cc(c(c(c4)OC)OC)OC,
,,4E4M,,,,,,,
,,,0NH:A:1201,valid,Ki,=,11,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:B:1201,valid,Ki,=,11,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:D:1201,valid,Ki,=,11,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,,0NH:E:1201,valid,Ki,=,11,nM,CC1(CCN(CC1)S(=O)(=O)C)n2cnc3c2c4cc[nH]c4nc3,
,,4HGE,,,,,,,
,,,15V:A:1201,valid,Ki,=,11.9,nM,Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4,
,,,15V:B:1201,valid,Ki,=,11.9,nM,Cc1cc(n(n1)c2cccc(c2)Cl)NC(=O)c3cnn4c3nccc4,
,,5CF6,,,,,,,
,,,50O:B:4000,valid,ic50,=,8.2,nM,CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C,
,,,50O:A:4000,valid,ic50,=,8.2,nM,CNc1c2c(c3cc(n(c3n1)C[C@@H](CO)O)C(=O)N(C4CC4)C5CC5)n(cn2)C,
,,2XA4,,,,,,,
,,,AZ5:A:2131,valid,ic50,<,0.003,uM,Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl,
,,,AZ5:B:2132,valid,ic50,<,0.003,uM,Cc1cc([nH]n1)Nc2c(cnc(n2)N[C@@H](C)c3ncc(cn3)F)Cl,
,,5TQ4,,,,,,,
,,,7GY:A:4000,valid,ic50,=,4.2,nM,CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)N)O,
,,5USY,,,,,,,
,,,GOL:A:1204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1205,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SKE:A:1201,valid,,,,,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,,SKE:B:1201,valid,,,,,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,3FUP,,,,,,,
,,,MI1:A:1,valid,ic50,=,21.7,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,,,MI1:B:1,valid,ic50,=,21.7,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,,3JY9,,,,,,,
,,,JZH:A:1,valid,Ki,=,0.001,uM,c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)[C@@H](C(=O)N2)c5ccc(cc5)O,
,,,NA:A:1131,invalid,,,,,[Na+],
,,5CF5,,,,,,,
,,,50W:A:4000,valid,ic50,=,2.5,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6,
,,,50W:B:4000,valid,ic50,=,2.5,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4nc(c(s4)C)C)C(=O)N(C5CC5)C6CC6,
,,6X8E,,,,,,,
,,,UWP:B:4001,valid,ic50,=,65,nM,Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N,
,,,UWP:A:4000,valid,ic50,=,65,nM,Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N,
,,3E62,,,,,,,
,,,5B1:A:1,valid,ic50,=,40.9,uM,c1cc2c(cc1Br)c(n[nH]2)N,
,,4YTC,,,,,,,
,,,4HW:A:4000,valid,,,,,c1ccc(cc1)Nc2cc(ncn2)n3c(nc(n3)Nc4ccccc4)N,
,,4E6D,,,,,,,
,,,0NU:A:1201,valid,Ki,=,1.2,nM,c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N,
,,,0NU:B:1201,valid,Ki,=,1.2,nM,c1c[nH]c2c1c3c(cn2)ncn3[C@@H]4CCCN(C4)C(=O)CC#N,
,,,GOL:B:1202,invalid,,,,,C(C(CO)O)O,
,,3TJC,,,,,,,
,,,0TP:A:1,valid,ic50,=,0.031,uM,CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N,
,,,0TP:B:1,valid,ic50,=,0.031,uM,CNC(=O)c1cnc(c2c1sc(c2)c3ccc(cc3)N4CCOCC4)N,
,,4D0X,,,,,,,
,,,GOL:A:2133,invalid,,,,,C(C(CO)O)O,
,,,953:A:2132,valid,ic50,=,0.008,uM,c1cc(c(cc1C(F)(F)F)c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl,
,,4GMY,,,,,,,
,,,0X5:A:1201,valid,Ki,=,0.028,uM,c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl,
,,4D0W,,,,,,,
,,,GOL:A:2131,invalid,,,,,C(C(CO)O)O,
,,,VVQ:A:2132,valid,ic50,=,0.02,uM,Cc1ccc(cc1c2c(cc([nH]2)c3ccnc(n3)N)C(=O)N)Cl,
,,4C61,,,,,,,
,,,ACT:A:2135,invalid,,,,,CC(=O)[O-],
,,,ACT:A:2134,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3135,invalid,,,,,CC(=O)[O-],
,,,LMM:A:2133,valid,ic50,=,0.004,uM,Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F,
,,,LMM:B:3134,valid,ic50,=,0.004,uM,Cc1csc2c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)F,
,,3KRR,,,,,,,
,,,DQX:A:1,valid,ic50,=,0.48,nM,c1cc(c2c(c1)ncc(n2)c3cnn(c3)C4CCNCC4)c5cc(c(c(c5)F)CN6CCOCC6)F,
,,5CF8,,,,,,,
,,,50V:B:4000,valid,ic50,=,1.1,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6,
,,,50V:A:4000,valid,ic50,=,1.1,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)Nc4cc(n(n4)C)C)C(=O)N(C5CC5)C6CC6,
,,4JIA,,,,,,,
,,,1K3:A:1201,valid,Ki,=,0.0006,uM,CN1CCN(CC1)c2ccc(cc2)Nc3nc4cccc(n4n3)c5ccc(cc5)OC,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,4D1S,,,,,,,
,,,BJG:A:1141,valid,ic50,=,0.022,uM,Cc1ccc(cc1c2c(cc(n2C)c3ccnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl,
,,4BBF,,,,,,,
,,,O19:A:2229,valid,ic50,=,2.2,nM,c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5,
,,,O19:B:2229,valid,ic50,=,2.2,nM,c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5,
,,,O19:C:2229,valid,ic50,=,2.2,nM,c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5,
,,,O19:D:2229,valid,ic50,=,2.2,nM,c1cc(ccc1c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4)NC(=O)[C@H]5CCCN5,
,,3E64,,,,,,,
,,,5B3:A:1,valid,ic50,=,0.078,uM,CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N,
,,6AAJ,,,,,,,
,,,9T6:A:1201,valid,,,,,c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,,9T6:B:1201,valid,,,,,c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,5WEV,,,,,,,
,,,9ZS:A:1201,valid,Ki,=,0.15,uM,c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl,
,,4E6Q,,,,,,,
,,,0NV:A:1201,valid,Ki,=,4.4,nM,c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4,
,,,0NV:B:1201,valid,Ki,=,4.4,nM,c1ccc(cc1)CN2CCC(CC2)n3cnc4c3c5cc[nH]c5nc4,
,,5TQ5,,,,,,,
,,,7GX:A:4000,valid,ic50,=,58.8,nM,CCc1cc(ccc1c2ccc3c(c2)[nH]nc3C(=O)Nc4ccc(nc4)C)O,
,,2B7A,,,,,,,
,,,IZA:A:2001,valid,ic50,=,1,nM,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,,IZA:B:2002,valid,ic50,=,1,nM,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,3E63,,,,,,,
,,,5B2:A:1,valid,ic50,=,1.6,uM,c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N,
,,5TQ6,,,,,,,
,,,7GV:B:4001,valid,ic50,=,123.6,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4,
,,,7GV:A:4000,valid,ic50,=,123.6,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CCCC4,
,,4YTF,,,,,,,
,,,4HZ:A:4000,valid,Ki,=,0.007,uM,C[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F,
,,5AEP,,,,,,,
,,,QUP:A:2000,valid,ic50,=,0.068,uM,Cc1ccc(cc1n2cc(cc2C(=O)N)c3c4cccn4ncn3)Cl,
,,4GFM,,,,,,,
,,,0X2:A:1201,valid,Ki,=,0.06,uM,c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl,
,,6BBV,,,,,,,
,,,D7D:A:1201,valid,ic50,=,0.803,uM,CCCS(=O)(=O)NC1CC(C1)N(C)c2c3cc[nH]c3ncn2,
,,3Q32,,,,,,,
,,,J2I:A:1,valid,ic50,=,0.0018,uM,Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F,
,,,J2I:B:2,valid,ic50,=,0.0018,uM,Cc1cc([nH]n1)Nc2c3cccn3nc(n2)N4CCN(CC4)C(=O)Cc5c(cc(cc5F)OC)F,
,,4JI9,,,,,,,
,,,1M3:A:1201,valid,,,,,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,,1M3:B:1201,valid,,,,,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,3RVG,,,,,,,
,,,17P:A:2000,valid,ic50,=,5,nM,Cn1cc(cn1)c2ccc3c(c2)[nH]c4c3c(ncc4C(=O)N)NC5CCCCC5,
,,5TQ8,,,,,,,
,,,7GS:A:4000,valid,ic50,=,23.1,nM,CCc1cc(c(cc1c2ccc3c(c2)n[nH]c3c4[nH]c5c(n4)CCN(C5)C(=O)c6cnc(cn6)N7CCCCC7)F)O,
,,3UGC,,,,,,,
,,,046:A:1201,valid,,,,,CC(=O)Nc1cc(ncn1)Oc2ccc3c(c2)CCN3C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,MLI:A:1202,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4YTH,,,,,,,
,,,467:A:4000,valid,Ki,=,0.002,uM,CC(C)(C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F,
,,4IVA,,,,,,,
,,,1J5:A:1201,valid,,,,,C[C@H](c1nc2cnc3c(c2n1C4CCC(CC4)C#N)cc[nH]3)O,
,,4BBE,,,,,,,
,,,3O4:A:2229,valid,ic50,=,3.6,nM,CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4,
,,,3O4:B:2229,valid,ic50,=,3.6,nM,CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4,
,,,3O4:C:2229,valid,ic50,=,3.6,nM,CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4,
,,,3O4:D:2229,valid,ic50,=,3.6,nM,CC(=O)Nc1ccc(cc1)c2ccnc(n2)Nc3ccc(cc3)N4CCOCC4,
,,5CF4,,,,,,,
,,,50Y:B:4000,valid,ic50,=,40,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5,
,,,50Y:A:4000,valid,ic50,=,40,nM,CCn1c(cc2c1nc(c3c2n(cn3)C)NCCCOC)C(=O)N(C4CC4)C5CC5,
,,5L3A,,,,,,,
,,,6DP:A:1201,valid,Kd,=,13,uM,CS(=O)(=O)Nc1cccc2c1cn[nH]2,
,,4P7E,,,,,,,
,,,2HB:A:1201,valid,,,,,c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5,
,,,2HB:B:1201,valid,,,,,c1cc(n2c(c1)nc(n2)NC(=O)C3CC3)c4ccc(cc4)CN5CCS(=O)(=O)CC5,
,,4F09,,,,,,,
,,,JAK:A:1201,valid,Ki,=,200,nM,Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3,
,,4AQC,,,,,,,
,,,88A:A:2001,valid,ic50,=,0.9,nM,CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5,
,,,88A:B:2001,valid,ic50,=,0.9,nM,CS(=O)(=O)c1ccc(cc1)c2cccn3c2nc(n3)Nc4ccc(cc4)N5CCOCC5,
,,,SO4:A:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TQ7,,,,,,,
,,,7GT:B:4000,valid,,,,,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5,
,,,7GT:A:4000,valid,,,,,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)N4CC[C@H](C4)S(=O)(=O)c5ccccc5,
,,3KCK,,,,,,,
,,,3KC:A:1,valid,Ki,=,0.0008,uM,c1ccc2c(c1)-c3ccnc4c3c(c[nH]4)C(=N2)c5ccc(cc5Cl)O,
,Family. Representative Entry is ,4F4P,,,,,,,
,,,0SB:A:701,valid,ic50,=,0.6,nM,c1cc(cc(c1)N2CCNCC2)c3cccc(n3)Nc4cc(ccn4)C(F)(F)F,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TUC,,,,,,,
,,,FPW:A:999,valid,ic50,=,100,nM,COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=CC=CN(C4=O)Cc5ccccc5,
,,4YJQ,,,,,,,
,,,4DK:A:701,valid,,,,,Cc1c(ocn1)c2cccc(c2)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5,
,,4I0R,,,,,,,
,,,1B4:A:701,valid,ic50,=,14,nM,CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC,
,,4YJP,,,,,,,
,,,4DL:A:701,valid,,,,,c1cc2c(cn[nH]2)c(c1)N(CCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,5C27,,,,,,,
,,,50J:A:701,valid,,,,,CNC(=O)c1ccc(cc1)NC(=O)c2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(c(c5)OC)OC,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GLU VAL TYR GLU SER:D:346,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CO)CCC(=O)[O-])Cc1ccc(O)cc1)C(NC(=O)C([NH3+])C)C(C)C,
,,5LMB,,,,,,,
,,,6ZF:B:701,valid,ic50,=,16,nM,CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3,
,,,6ZF:A:701,valid,ic50,=,16,nM,CN(C)c1ccc(cn1)c2cc3c(c(n2)NC[C@H]4CCCNC4)nccn3,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,5TR6,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,7KG:A:701,valid,ic50,=,3.2,nM,Cn1cc(cn1)c2c3c(c(c(n2)N[C@@H]4CCCC[C@@H]4N)F)CNC3=O,
,,5Y5U,,,,,,,
,,,8OU:A:701,valid,ic50,=,17.7,nM,Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O,
,,,8OU:B:701,valid,ic50,=,17.7,nM,Cn1c2ccc(cc2cn1)Nc3c4c(nc(n3)N5CCC(CC5)O)CC=NC4=O,
,,4XG4,,,,,,,
,,,X4G:A:701,valid,ic50,=,21.5,nM,Cc1cc(cc(c1OCCO)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F,
,,4WNM,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3RT:A:701,valid,Ki,=,18,nM,c1cc(n2c(c1)nc(n2)Nc3ccc4c(c3)[nH]nc4NC5CCOCC5)CC6CCOCC6,
,,4YJT,,,,,,,
,,,4DQ:A:702,valid,,,,,CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,4PV0,,,,,,,
,,,CG4:A:701,valid,Kd,=,4,nM,COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)Nc5ccc(cc5)C(=O)O,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:706,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,4FYO,,,,,,,
,,,0VF:A:701,valid,ic50,=,47,nM,COc1ccc(cc1OC)Nc2c3c(nc(n2)N4CC[C@@H](C4)NC(=O)c5ccc(cc5)C(=O)O)scn3,
,,5LMA,,,,,,,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,,6ZG:A:701,valid,ic50,=,0.25,uM,Cc1ccc(cc1)c2cc3c(c(n2)NCCCCN)nccn3,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,5Y5T,,,,,,,
,,,8OR:A:701,valid,ic50,=,211,nM,CS(=O)(=O)c1ccc(cc1)Nc2c3c(nc(n2)N[C@H]4CCCC[C@@H]4N)C=CNC3=O,
,,3FQE,,,,,,,
,,,P5C:A:1,valid,Ki,~,0.0125,uM,Cc1cccc(c1)Nc2c(cnc(n2)N[C@@H]3CCCC[C@@H]3N)C(=O)N,
,,4FYN,,,,,,,
,,,0VE:A:701,valid,,,,,CCN(CCO)c1ccc(cc1)Nc2c3nccn3c(cn2)c4cccc(c4)O,
,,4I0T,,,,,,,
,,,1B6:A:701,valid,ic50,=,26,nM,CC(C)(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4n(cn3)CCCC4,
,,4YJS,,,,,,,
,,,4DN:A:701,valid,,,,,c1cc2c(cn[nH]2)c(c1)N(CCCO)c3ccnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5,
,,4FL1,,,,,,,
,,,ANP:A:701,valid,Kd,=,520,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:702,invalid,,,,,[Mg+2],
,,4RX8,,,,,,,
,,,3YX:A:703,valid,ic50,=,35,nM,c1cc2cc[nH]c2c(c1)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,5CXZ,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,55U:A:703,valid,ic50,=,552,nM,CN(C)c1ccc(cc1)c2cc3c(cccn3)c(n2)NCCCN,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,5TT7,,,,,,,
,,,7KF:A:901,valid,ic50,=,13,nM,Cc1cccc(c1)Nc2c3c(nc(n2)N[C@@H]4CCCC[C@@H]4N)CNC3=O,
,,5CY3,,,,,,,
,,,55Y:A:701,valid,ic50,=,16,nM,C[C@H]([C@H]1CNC(=O)O1)Oc2cc(cc3c2csn3)c4cnn(c4)C,
,,3TUD,,,,,,,
,,,FPX:A:1,valid,ic50,=,2.1,nM,Cc1ccc(cc1C2=Cc3cnc(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)C(F)(F)F,
,,4FZ6,,,,,,,
,,,0VG:A:701,valid,ic50,=,127,nM,C[C@H]1CCCN1c2cccc(n2)Nc3cc(nn4c3ncc4)c5ccccc5,
,,4YJU,,,,,,,
,,,4DO:A:701,valid,,,,,CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F,
,,6VOV,,,,,,,
,,,R6D:A:701,valid,ic50,=,6.2,nM,c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6,
,,,R6D:B:701,valid,ic50,=,6.2,nM,c1cc(ccc1Nc2c3nccn3cc(n2)c4cncc(n4)N)N5CCN(CC5)C6COC6,
,,6HM6,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GDK:A:701,valid,ic50,=,3.16,uM,Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3,
,,4XG6,,,,,,,
,,,X6G:A:701,valid,ic50,=,9.7,nM,Cc1cc(cc(c1)Nc2nccc(n2)n3cc(c(n3)C)CN4CC(C4)O)C,
,,3VF9,,,,,,,
,,,477:A:701,valid,ic50,=,358.2,nM,CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O,
,,3FQH,,,,,,,
,,,057:A:1,valid,ic50,=,0.57,uM,CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3,
,,,057:B:2,valid,ic50,=,0.57,uM,CC(C)(CO)NC(=O)c1ccc2c(c1)c(cn2C)c3cc4cccnc4[nH]3,
,,3FQS,,,,,,,
,,,585:A:1,valid,ic50,=,0.041,uM,CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C,
,,4DFL,,,,,,,
,,,0K0:A:701,valid,ic50,=,0.67,uM,CS(=O)(=O)Nc1cccc(c1)c2cnc(c(n2)C(=O)NCC3CCNCC3)N,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TIU,,,,,,,
,,,7CU:A:701,valid,ic50,=,5,nM,C[C@@H](CNc1cnc(c(n1)c2cc3ccccc3[nH]2)C(=O)N)N,
,,1XBC,,,,,,,
,,,STU:A:1,valid,ic50,=,0.012,uM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,4PUZ,,,,,,,
,,,CG9:B:701,valid,ic50,=,7.7,nM,c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6,
,,,CG9:A:701,valid,ic50,=,7.7,nM,c1cc(ccc1Nc2c3nccn3cc(n2)c4ccc5cn[nH]c5c4)N6CCOCC6,
,,4XG3,,,,,,,
,,,X3G:A:701,valid,ic50,=,17.5,nM,Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F,
,,,X3G:B:701,valid,ic50,=,17.5,nM,Cc1cc(cc(c1OS(=O)(=O)C)C)Nc2ncc(c(n2)n3cc(c(c3)CN4CC[C@H](C4)O)C)F,
,,4XG7,,,,,,,
,,,X7G:A:701,valid,ic50,=,32.6,nM,Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)cnn4C)CN5CC(C5)O,
,,6HM7,,,,,,,
,,,BR:A:704,invalid,,,,,[Br-],
,,,BR:A:703,invalid,,,,,[Br-],
,,,BR:A:702,invalid,,,,,[Br-],
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GDH:A:701,valid,ic50,=,79.4,nM,Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)OC,
,,,DMS:A:706,invalid,,,,,CS(=O)C,
,,3TUB,,,,,,,
,,,FPU:A:999,valid,ic50,=,320,nM,COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)N[C@@H]4C[C@H]4c5ccccc5,
,,4XG8,,,,,,,
,,,X8G:A:700,valid,ic50,=,1.9,nM,Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O,
,,,X8G:C:700,valid,ic50,=,1.9,nM,Cc1c(cn(n1)c2ccnc(n2)Nc3ccc4c(c3)c(nn4C)Cl)CN5CC(C5)O,
,,1XBB,,,,,,,
,,,STI:A:1,valid,Ki,=,5,uM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,4RX7,,,,,,,
,,,3YV:A:703,valid,ic50,=,5,nM,c1cc(cc(c1)n2nccn2)Nc3c(nnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:701,invalid,,,,,C(=O)O,
,,4YJO,,,,,,,
,,,4DF:A:701,valid,,,,,CCN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)Cl,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,4RSS,,,,,,,
,,,4MG:A:701,valid,ic50,=,1.7,nM,Cc1c(n(c2c1cc(cc2)Nc3nccc(n3)n4cc(c(n4)C)CN5CC(C5)O)C)C,
,,5CXH,,,,,,,
,,,55M:A:701,valid,ic50,=,5,nM,C[C@H]([C@@H]1CC(=O)NC1)Oc2c3c(cc(n2)c4ccc(c(c4)OC)OC)ncs3,
,,3VF8,,,,,,,
,,,0JE:A:701,valid,ic50,=,150,nM,CCN(CC)C(=O)Nc1cn[nH]c1c2[nH]c3cc(c(cc3n2)OCC)F,
,,5C26,,,,,,,
,,,GLU VAL PTR GLU SER PRO:B:346,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C(C)C)C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)CO)CCC(=O)[O-])cc1)([O-])[O-],
,,,50H:A:701,valid,ic50,=,0.17,uM,COc1ccc(cc1OC)Nc2c3nccn3cc(n2)c4cccc(c4)C(=O)N,
,,4PX6,,,,,,,
,,,2X6:A:701,valid,ic50,=,4,nM,c1cc2cc[nH]c2c(c1)Nc3c4c(cc(n3)N[C@@H]5CCCC[C@@H]5N)N=CNC4=O,
,,4RX9,,,,,,,
,,,3YT:A:702,valid,ic50,=,13,nM,c1cc(cc(c1)n2nccn2)Nc3c(cnc(n3)N[C@@H]4CCCC[C@@H]4N)C(=O)N,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,4DFN,,,,,,,
,,,0K1:A:701,valid,ic50,=,0.02,uM,Cn1cc(cn1)c2cccc(c2)c3cnc(c(n3)C(=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O)N,
,,4YJR,,,,,,,
,,,4DJ:A:701,valid,,,,,Cn1c2ccc(cc2cn1)Nc3nccc(n3)N(CCCO)c4cccc5c4cn[nH]5,
,,4I0S,,,,,,,
,,,1B5:A:701,valid,ic50,=,36,nM,CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3c4ccc(cc4n(n3)C)Cl,
,Family. Representative Entry is ,4EWH,,,,,,,
,,,T77:A:401,valid,Ki,=,0.0003,uM,CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5,
,,,T77:B:401,valid,Ki,=,0.0003,uM,CN(C)CCOc1ccc(cc1)c2c(c3c([nH]2)ncnc3NCC4SCCS4)c5ccccc5,
,,3EQP,,,,,,,
,,,CL:B:393,invalid,,,,,[Cl-],
,,,T95:A:1,valid,,,,,CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C,
,,,T95:B:1,valid,,,,,CCOc1ccccc1Oc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)CCO)C(=O)Nc5c(cccc5C)C,
,,1U4D,,,,,,,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,DBQ:A:398,valid,,,,,c1c[nH]c2c1/C(=C3/C(=O)NC(=N3)N)/CCNC2=O,
,,,DBQ:B:401,valid,,,,,c1c[nH]c2c1/C(=C3/C(=O)NC(=N3)N)/CCNC2=O,
,,3EQR,,,,,,,
,,,CL:A:393,invalid,,,,,[Cl-],
,,,T74:A:1,valid,Ki,=,0.002,uM,Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C,
,,,T74:B:1,valid,Ki,=,0.002,uM,Cc1cccc(c1Nc2c3cnc(nc3n(n2)CCC(C)(C)OC)Nc4ccc(cc4)N5CCNCC5)C,
,,5ZXB,,,,,,,
,,,9KO:B:401,valid,ic50,=,8,nM,Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F,
,,,9KO:A:401,valid,ic50,=,8,nM,Cc1ccc(cc1N2Cc3cnc(nc3N(C2=O)C)Nc4ccc(nc4)N5CCN(CC5)C(=O)C)NC(=O)c6cccc(c6)C(F)(F)F,
,Family. Representative Entry is ,6CZ3,,,,,,,
,,,K:A:9010,invalid,,,,,[K+],
,,,K:A:9009,invalid,,,,,[K+],
,,,ACT:A:9005,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9006,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9008,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9004,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9007,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9003,invalid,,,,,CC(=O)[O-],
,,,ACT:A:9002,invalid,,,,,CC(=O)[O-],
,,,FLJ:A:9001,valid,ic50,=,0.056,uM,Cc1cn2c(cnc2c(n1)Nc3ccc(cc3F)C(=O)N4CCOCC4)c5c[nH]nc5,
,,5DA3,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,58V:A:503,valid,ic50,=,80,nM,c1cc(c(cc1Nc2c3ncc(n3cc(n2)C4CC4)c5c[nH]nc5)Cl)C(=O)N6CCOCC6,
,,6CZ4,,,,,,,
,,,FKY:A:9001,valid,ic50,=,0.076,uM,Cn1cc(nc1)c2cc(c(nc2)O[C@H]3CCN(C[C@H]3F)C(=O)Cc4ccc(cc4)OC(F)(F)F)C(=O)N,
,Family. Representative Entry is ,6X3N,,,,,,,
,,,ULV:A:701,valid,ic50,=,0.083,nM,c1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,,5WE:A:702,valid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,4OTF,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2VL:A:704,valid,ic50,=,0.006,uM,Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C,
,,5BQ0,,,,,,,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,4US:A:701,valid,ic50,=,15,nM,CN1CCN(CC1)C(=O)c2ccc3c(c2)[nH]c4c3c(ccc4C(=O)N)c5ccccc5Cl,
,,3PIZ,,,,,,,
,,,03C:A:1,valid,ic50,=,3.5,uM,Cc1ccccc1n2c(c(cn2)C(=O)c3cccc(c3)C4CCN(CC4)S(=O)(=O)C)N,
,,6NFH,,,,,,,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,KLM:A:701,valid,,,,,CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O,
,,6X3O,,,,,,,
,,,5WE:B:702,valid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WE:A:702,valid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,ULY:B:701,valid,ic50,=,0.21,nM,COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,,ULY:A:701,valid,ic50,=,0.21,nM,COc1cc(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,5JRS,,,,,,,
,,,6MV:A:4000,valid,ic50,=,4,nM,CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O,
,,,6MV:B:4000,valid,ic50,=,4,nM,CC(C)(c1ccc2c(c1)[nH]c3c2c(ccc3C(=O)N)c4cccc(c4F)N5C=Nc6ccccc6C5=O)O,
,,6E4F,,,,,,,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,IMD:A:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:703,invalid,,,,,c1c[nH+]c[nH]1,
,,,HRA:A:701,valid,ic50,=,0.85,nM,c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(ncn4)N[C@@H]5CC[C@H](OC5)CO,
,,5FBO,,,,,,,
,,,5WE:A:1002,invalid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WH:A:1001,valid,ic50,=,0.31,nM,C[C@H]1CC[C@H](CN1C(=O)C2CC2)c3nc(c4n3ccnc4N)c5ccc(cc5F)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,5KUP,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6XL:A:706,valid,ic50,=,7.2,nM,CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)Nc5ccncn5)C)CO,
,,,PG0:A:705,invalid,,,,,COCCOCCO,
,,6S90,,,,,,,
,,,L0Z:A:701,valid,ic50,=,13,nM,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C,
,,,L0Z:B:701,valid,ic50,=,13,nM,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3c4cc([nH]c4ncn3)c5ccc(cc5)C(=O)N6CCN(CC6)C,
,,3GEN,,,,,,,
,,,B43:A:1,valid,,,,,c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,4NWM,,,,,,,
,,,2P5:A:701,valid,ic50,=,0.008,uM,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4,
,,,2P5:B:701,valid,ic50,=,0.008,uM,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)c3nc4c(c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6)[nH]cn4,
,,5P9H,,,,,,,
,,,7G7:A:701,valid,,,,,CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C6CCN(CC6)C)C)CO,
,,4RFY,,,,,,,
,,,3OU:A:701,valid,ic50,=,100,nM,CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5CCc6cc(ccc6C5=O)N(C)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,4OT5,,,,,,,
,,,481:A:701,valid,,,,,CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCN(CC6)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,4ZLY,,,,,,,
,,,4RU:A:705,valid,ic50,=,3.5,uM,c1ccc2c(c1)c(c(nn2)C(=O)N)N,
,,,IMD:A:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:701,invalid,,,,,c1c[nH+]c[nH]1,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,,IPA:A:703,invalid,,,,,CC(C)O,
,,5U9D,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,83P:A:701,valid,ic50,=,0.00055,uM,CNC(=O)[C@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c4c(cco4)CNc5ccc6c(c5)nccn6,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,4OTQ,,,,,,,
,,,2V2:A:701,valid,,,,,Cc1c(cccc1N2C=Nc3cc(ccc3C2=O)C(C)(C)C)C4=CN(C(=O)C(=C4)NC(=O)NC)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,5VGO,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9B1:A:707,valid,Ki,=,1.28,nM,CC1(Cc2c3c(sc2C1)C(=O)N(CC3)c4cccc(c4CO)C5=CN(C(=O)C(=C5)Nc6ccncn6)C)C,
,,,PG0:A:706,invalid,,,,,COCCOCCO,
,,,PG0:A:705,invalid,,,,,COCCOCCO,
,,3PJ3,,,,,,,
,,,04L:A:1,valid,ic50,=,5.6,uM,Cc1ccc(cc1C(=O)Nc2cc3c([nH]c(n3)c4ccccc4)nc2)NC(=O)/C=C/c5ccccc5,
,,3PIX,,,,,,,
,,,027:A:1,valid,ic50,=,0.1,uM,Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C,
,,5P9G,,,,,,,
,,,7G6:A:701,valid,,,,,CN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7,
,,6HRP,,,,,,,
,,,GMQ:A:701,valid,,,,,CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc(c3CO)C4=NN(C(=O)C(=C4)Nc5ccc(cn5)C(=O)N6CCOCC6)C,
,,3PJ2,,,,,,,
,,,04K:A:1,valid,ic50,=,7.2,uM,CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)Oc4ccc(cc4)F)C,
,,5VFI,,,,,,,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,9AJ:A:701,valid,Ki,=,0.91,nM,C[C@H]1CN(CCN1c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4ccnc(c4CO)N5CCn6c(cc7c6CC(C7)(C)C)C5=O)C8COC8,
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VXQ,,,,,,,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,RQS:A:702,valid,ic50,=,3700,nM,c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3,
,,6NZM,,,,,,,
,,,L9S:A:701,valid,ic50,=,0.001,uM,c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5,
,,,L9S:D:701,valid,ic50,=,0.001,uM,c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)[C@@H]4CN(CCN4CCO)c5c6cc[nH]c6ncn5,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:D:702,invalid,,,,,C(CO)O,
,,6NFI,,,,,,,
,,,KLP:A:701,valid,,,,,Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)OC)NS(=O)(=O)C)C,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5T18,,,,,,,
,,,73T:A:701,valid,ic50,=,0.5,nM,Cc1c(cccc1N2C(=O)c3cccc(c3N(C2=O)C)F)c4c(cc(c5c4c6c([nH]5)C[C@H](CC6)C(C)(C)O)C(=O)N)F,
,,5P9I,,,,,,,
,,,1E8:A:701,valid,,,,,C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,6HRT,,,,,,,
,,,GMW:A:701,valid,,,,,CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3cccc4c3C[C@@H](CC5=C4C=C(C(=O)N5C)Nc6ccc(cn6)C(=O)N7CCOCC7)O,
,,4Z3V,,,,,,,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,IMD:A:702,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:701,invalid,,,,,c1c[nH+]c[nH]1,
,,,4L6:A:705,valid,ic50,=,4,nM,Cc1cc2cn[nH]c2cc1c3cccc4c3nnc(c4N)C(=O)N,
,,,IPA:A:703,invalid,,,,,CC(C)O,
,,6W06,,,,,,,
,,,S5M:A:1103,valid,ic50,=,142,nM,CC(C)(C)c1ccc(cc1)C(=O)NCc2ccc(cc2)c3c4cc[nH]c4ncn3,
,,,DTT:A:1102,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DMS:A:1101,invalid,,,,,CS(=O)C,
,,4RG0,,,,,,,
,,,3P0:A:701,valid,ic50,=,50,nM,CC(C)(C#N)c1cc2c(c(c1)F)C(=O)N(CC2)c3cccc(c3CO)C4=CN(C(=O)C(=C4)Nc5ccc(cn5)N6CCN(CC6)C)C,
,,5BPY,,,,,,,
,,,4UQ:B:4000,valid,,,,,CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N,
,,,4UQ:A:4000,valid,,,,,CC(C)(C)c1ccc(cc1)C(=O)N[C@@H]2CCCN(C2)c3ccc(c(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)C(=O)N,
,,6OMU,,,,,,,
,,,MZJ:A:702,valid,ic50,=,8.9,nM,C=CC(=O)N1CCC(CC1)CNc2c(c(ncn2)N)c3ccc(cc3)Oc4ccccc4,
,,,CL:A:701,invalid,,,,,[Cl-],
,,5FBN,,,,,,,
,,,5WE:D:704,invalid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WE:D:703,invalid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WE:D:705,invalid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WE:C:702,invalid,,,,,CN(C)CCCC(=O)N1CCC[C@H]1c2nc(c3n2ccnc3N)c4ccc(cc4)C(=O)Nc5nccs5,
,,,5WF:C:701,valid,ic50,=,0.27,nM,CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,,5WF:D:702,valid,ic50,=,0.27,nM,CC1(COC1)C(=O)N2CCC[C@H](C2)c3nc(c4n3ccnc4N)c5ccc(cc5)C(=O)Nc6cc(ccn6)C(F)(F)F,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,CL:C:703,invalid,,,,,[Cl-],
,,,CL:D:701,invalid,,,,,[Cl-],
,,6DI0,,,,,,,
,,,GJG:A:701,valid,,,,,c1cc(ncc1C(=O)N)NC2CCCCC2,
,,6W07,,,,,,,
,,,S9A:A:901,valid,ic50,=,1,nM,Cc1cc(ccc1CNC(=O)N2CC(C2)OC(C)C)c3ccnc(n3)Nc4cnn(c4)C,
,,,DMS:A:902,invalid,,,,,CS(=O)C,
,,3PJ1,,,,,,,
,,,LHL:A:1,valid,ic50,=,0.048,uM,CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C,
,,,LHL:A:2,valid,ic50,=,0.048,uM,CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(C3)c4c(cccc4Cl)Cl)C,
,,6X3P,,,,,,,
,,,BTB:A:704,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,UM4:A:701,valid,ic50,=,0.58,nM,c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N,
,,,UM4:A:702,valid,ic50,=,0.58,nM,c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H]7CCC(=O)N7C6)N,
,,4RFZ,,,,,,,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,,3OV:A:701,valid,ic50,=,40,nM,CN1C=C(C=C(C1=O)Nc2ccc(cn2)C(=O)N3CCOCC3)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)N(C)C,
,,4ZLZ,,,,,,,
,,,IMD:A:703,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:701,invalid,,,,,c1c[nH+]c[nH]1,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,,IPA:A:702,invalid,,,,,CC(C)O,
,,,4RV:A:705,valid,ic50,=,100,nM,Cc1ccncc1c2cccc3c2nnc(c3N)C(=O)N,
,,4Y95,,,,,,,
,,,PE4:B:705,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:C:1004,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,BME:B:704,invalid,,,,,C(CS)O,
,,,BME:A:703,invalid,,,,,C(CS)O,
,,,BME:C:1003,invalid,,,,,C(CS)O,
,,,746:C:1001,valid,,,,,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C,
,,,746:B:701,valid,,,,,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C,
,,,746:D:701,valid,,,,,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C,
,,,746:A:701,valid,,,,,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C,
,,4RX5,,,,,,,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3YO:A:706,valid,ic50,=,3,nM,Cc1c(ccc(c1NC(=O)c2cc3ccccc3s2)F)C4=NNC(=O)C(=C4)Nc5cc6n(n5)CCN(C6)C,
,,,PG0:A:705,invalid,,,,,COCCOCCO,
,,6XE4,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V1G:A:701,valid,ic50,=,2.4,nM,CC(C)(C)c1cc2c(c(c1)F)C(=O)N(N=C2)c3c(c(ccn3)C4=CN(C(=O)C(=C4)NC(=O)[C@@H]5C[C@@H]5F)C)CO,
,,4OT6,,,,,,,
,,,2V1:A:701,valid,,,,,CS(=O)(=O)c1ccc(cc1)C(=O)Nc2cccc(c2)c3cn4ccnc4c(n3)Nc5ccc(cc5)C(=O)N6CCOCC6,
,,4OTR,,,,,,,
,,,2V3:A:701,valid,,,,,CCN1CCN(CC1)c2ccc(nc2)NC3=CC(=CN(C3=O)C)c4cccc(c4CO)N5C=Cc6cc(cc(c6C5=O)F)C7CC7,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,5P9F,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,2VL:A:701,valid,,,,,Cc1c(cccc1NC(=O)c2cc3c(s2)CCCC3)C4=CN(C(=O)C(=N4)Nc5ccc(cc5)[C@@H]6C(=O)N(CCN6C)C)C,
,,3K54,,,,,,,
,,,1N1:A:1,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,Family. Representative Entry is ,4E93,,,,,,,
,,,GUI:A:901,valid,ic50,=,45.8,nM,CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl,
,,3BKB,,,,,,,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:823,invalid,,,,,C(CO)O,
,,,EDO:A:824,invalid,,,,,C(CO)O,
,,,EDO:A:825,invalid,,,,,C(CO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:826,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3CD3,,,,,,,
,,,ACE ILE TYR GLU SER LEU:B:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(CC)C)Cc1ccc(O)cc1)CCC(=O)[O-])CO)CC(C)C,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,STU:A:901,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:A:902,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:A:903,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3CBL,,,,,,,
,,,ACE ILE TYR GLU SER LEU:B:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(CC)C)Cc1ccc(O)cc1)CCC(=O)[O-])CO)CC(C)C,
,,,STU:A:901,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:A:902,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:A:903,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,6JMF,,,,,,,
,,,9FC:A:903,valid,,,,,Cc1cccc(c1)Nc2c(cc(c(n2)N[C@@H]3CCCC[C@@H]3N)C#N)C(=O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6NZP,,,,,,,
,,,LB7:A:901,valid,ic50,=,0.2,nM,CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C,
,,,LB7:B:901,valid,ic50,=,0.2,nM,CNC(=O)c1c(cc(nn1)NC(=O)C2CC2)Nc3cccc(c3OC)c4ncn(n4)C,
,,,CL:B:902,invalid,,,,,[Cl-],
,,4WOV,,,,,,,
,,,3SM:B:901,valid,ic50,=,72,nM,CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C,
,,,3SM:A:901,valid,ic50,=,72,nM,CNc1c2c(c3cc([nH]c3n1)c4cccc(n4)CNC(=O)COC)n(cn2)C,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NSL,,,,,,,
,,,KZJ:A:901,valid,ic50,=,90,nM,CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N,
,,,KZJ:B:901,valid,ic50,=,90,nM,CNc1cc(nn2c1ncc2C(=O)NC3CC3)NC4=CC=CN(C4=O)c5ccc(cc5)C#N,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NZF,,,,,,,
,,,L91:B:901,valid,ic50,=,0.00092,uM,CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F,
,,,L91:A:901,valid,ic50,=,0.00092,uM,CNC(=O)c1cnc(cc1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NZE,,,,,,,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L8Y:B:901,valid,ic50,=,0.0013,uM,CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F,
,,,L8Y:A:901,valid,ic50,=,0.0013,uM,CNC(=O)c1cnc(cc1Nc2ccccc2C(=O)N)Nc3ccc(cn3)F,
,,6NZQ,,,,,,,
,,,LB4:A:4000,valid,ic50,=,0.3,nM,Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4,
,,,LB4:B:4000,valid,ic50,=,0.3,nM,Cc1cc(ncc1F)Nc2cc(c(cn2)C(=O)NC)Nc3cccc(c3OC)C(=O)NCc4ccccn4,
,Family. Representative Entry is ,4E1Z,,,,,,,
,,,0MX:A:1201,valid,,,,,c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)c3ccc4c(c3)c(n[nH]4)NC(=O)c5ccco5,
,Family. Representative Entry is ,6OVA,,,,,,,
,,,N9G:A:1200,valid,ic50,=,1.1,nM,CN(C)C(=O)c1ccc(nc1)Nc2cc(ccn2)N3CC[C@@](C3=O)(C#N)C4CC4,
,,4GFO,,,,,,,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0X2:A:1206,valid,Ki,=,0.24,uM,c1cc(c(c(c1)Cl)C(=O)NC2=CC(=O)N=CC2)Cl,
,,,GOL:A:1205,invalid,,,,,C(C(CO)O)O,
,,4GJ3,,,,,,,
,,,0XP:A:1201,valid,Ki,=,1.4,nM,c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)[C@H]3C[C@H]3F,
,,4GII,,,,,,,
,,,0X6:A:1201,valid,Ki,=,1.8,nM,c1cnc(cc1NC(=O)c2c(cc(cc2Cl)C#N)Cl)NC(=O)C3CC3,
,,6AAM,,,,,,,
,,,9T6:A:1201,valid,,,,,c1c[nH]c2c1c(c(cn2)C(=O)N)NC3[C@@H]4CC5C[C@H]3CC(C4)(C5)O,
,,3NYX,,,,,,,
,,,DTT:A:1184,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:2,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,TZ1:A:1,valid,Ki,=,32,nM,c1cc(sc1)C(=O)Nc2nnc(s2)Sc3ccnc4c3ccc(c4)Cl,
,,6VNY,,,,,,,
,,,R4S:A:4000,valid,ic50,=,139,nM,c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)C5CC5)F,
,,6VNS,,,,,,,
,,,R5D:A:4000,valid,ic50,=,29,nM,c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@@H]5C[C@H]5C#N)F,
,,4GVJ,,,,,,,
,,,MG:A:1203,Part of Protein,,,,,[Mg+2],
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6DBM,,,,,,,
,,,G4J:A:4000,valid,ic50,=,23,nM,Cn1cc(cn1)Nc2nccc(n2)N3C[C@H]4CC[C@@H](C3)N4C(=O)[C@@H]5CC5(F)F,
,,6VNX,,,,,,,
,,,R4V:A:4000,valid,ic50,=,29,nM,C[C@@H]1[C@H]2[C@@]1(CN(C2)c3c(cnc(n3)Nc4cnn(c4)C)F)NC(=O)[C@@H]5CC5(F)F,
,,3NZ0,,,,,,,
,,,IZA:A:1,valid,,,,,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,4GJ2,,,,,,,
,,,0XH:A:1201,valid,Ki,=,2.5,nM,c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)[C@H]3C[C@H]3F)Cl,
,,6VNV,,,,,,,
,,,R4Y:A:4000,valid,ic50,=,67,nM,c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F,
,,6DBK,,,,,,,
,,,G5D:A:4000,valid,ic50,=,23,nM,CCNC(=O)c1ccc(cc1)Nc2nccc(n2)N3C[C@@H]4C[C@H]3CN4C(=O)CC#N,
,,6X8F,,,,,,,
,,,UWP:A:4001,valid,ic50,=,10,nM,Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N,
,,,UWP:C:4000,valid,ic50,=,10,nM,Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CN(C5)CC(F)(F)F)CC#N,
,,3LXP,,,,,,,
,,,IZA:A:1183,valid,,,,,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,5WAL,,,,,,,
,,,9ZS:A:1201,valid,Ki,=,0.0017,uM,c1cc(c(c(c1)Cl)c2[nH]c3ccnc(c3n2)NC(=O)C4CC4)Cl,
,,4GIH,,,,,,,
,,,0X5:A:1201,valid,Ki,=,0.0048,uM,c1cc(c(c(c1)Cl)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl,
,Family. Representative Entry is ,3LXN,,,,,,,
,,,MI1:A:1,valid,Ki,=,4.4,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,,6X8G,,,,,,,
,,,UWM:A:4000,valid,ic50,=,15,nM,Cn1cc(cn1)c2cn3c(ccn3)c(n2)c4cnn(c4)C5(CC(C5)C#N)CC#N,
,,4PY1,,,,,,,
,,,2YK:A:1201,valid,,,,,Cn1cc(cn1)c2nnc3n2nc(cc3)Sc4cc(ccc4OC)OC,
,Family. Representative Entry is ,5TO8,,,,,,,
,,,7FM:A:701,valid,ic50,=,3.1,nM,CS(=O)(=O)N1CCCCC(=O)N2CCc3c2ccc(c3)Nc4ncc(c(n4)NCc5c1nccc5)C(F)(F)F,
,,4H1J,,,,,,,
,,,0YH:A:701,valid,ic50,=,1200,nM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cc(n[nH]3)c4ccc(cc4C)OC,
,,3FZT,,,,,,,
,,,4JZ:A:999,valid,ic50,=,637,nM,Cc1ccc(cc1)N2C(=NC(=O)Nc3cc(n[nH]3)COc4cccnc4)C=C(N2)C(C)(C)C,
,,3H3C,,,,,,,
,,,P1E:A:999,valid,ic50,=,140,nM,CNS(=O)(=O)c1ccc(cc1)Nc2ncc(c(n2)N[C@@H]3CCC[C@H]3N(C)C)C(F)(F)F,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4H1M,,,,,,,
,,,0YJ:A:701,valid,ic50,=,78,nM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3cccc4c3[nH]c(c4)C(=O)NC(C)C,
,,5TOB,,,,,,,
,,,YAM:A:701,valid,ic50,=,13,nM,CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C,
,,3FZP,,,,,,,
,,,AGS:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FZS,,,,,,,
,,,B96:A:999,valid,ic50,=,1.5,uM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5,
,Family. Representative Entry is ,2H8H,,,,,,,
,,,H8H:A:534,valid,ic50,=,2.7,nM,CN1CCN(CC1)CCOc2cc3c(c(c2)OC4CCOCC4)c(ncn3)Nc5c(ccc6c5OCO6)Cl,
,Family. Representative Entry is ,4Y93,,,,,,,
,,,746:A:702,valid,,,,,Cc1c(cccc1NC(=O)c2ccc(cc2)C(C)(C)C)C3=CN(C(=O)C(=N3)Nc4ccc(cc4)C(=O)N5CCOCC5)C,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,CA:A:703,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,3LXK,,,,,,,
,,,MI1:A:1125,valid,Ki,=,0.2,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,,3PJC,,,,,,,
,,,PJC:A:800,valid,ic50,=,27,nM,c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4c(cnc(n4)N5CCC(=O)CC5)C(F)(F)F,
,,4HVH,,,,,,,
,,,19R:A:1201,valid,ic50,=,19,nM,C[C@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3,
,,5LWM,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,PHU:A:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,79T:A:1201,valid,Kd,=,0.00134,uM,CN(C)C(=O)C(=Cc1ccc(o1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)C#N,
,,4I6Q,,,,,,,
,,,PHU:A:1201,valid,,,,,c1ccc(cc1)NC(=O)N,
,,,1DT:A:1202,valid,ic50,=,0.03,uM,C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccccc4,
,,3ZC6,,,,,,,
,,,CL:A:2105,invalid,,,,,[Cl-],
,,,CL:A:2107,invalid,,,,,[Cl-],
,,,CL:A:2106,invalid,,,,,[Cl-],
,,,CL:D:2104,invalid,,,,,[Cl-],
,,,VFC:C:2103,valid,ic50,=,0.6,nM,C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F,
,,,VFC:D:2103,valid,ic50,=,0.6,nM,C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F,
,,,VFC:A:2103,valid,ic50,=,0.6,nM,C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F,
,,,VFC:B:2103,valid,ic50,=,0.6,nM,C[C@H](C(=O)N1CC(C1)C#N)NC(=O)c2c[nH]c3c2nc(cn3)c4c5ccc(cc5n(n4)C)F,
,,,PEG:A:2104,invalid,,,,,C(COCCO)O,
,,,PEG:B:2105,invalid,,,,,C(COCCO)O,
,,,PG4:C:2104,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:2104,invalid,,,,,C(COCCOCCOCCO)O,
,,4HVD,,,,,,,
,,,PHU:A:1201,valid,,,,,c1ccc(cc1)NC(=O)N,
,,,933:A:1202,valid,ic50,=,1.4,nM,C[C@@H](C(C)(C)C)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3,
,,6GLB,,,,,,,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,F48:B:1201,valid,ic50,=,129,nM,c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4,
,,,F48:A:1201,valid,ic50,=,129,nM,c1cc(oc1CCC#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4,
,,,PHU:A:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,PHU:B:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,6HZV,,,,,,,
,,,GYW:B:1101,valid,ic50,=,59,nM,c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5,
,,,GYW:A:1101,valid,ic50,=,59,nM,c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5,
,,,GYW:C:1101,valid,ic50,=,59,nM,c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5,
,,,GYW:D:1101,valid,ic50,=,59,nM,c1cc2ncc(n2cc1C#N)c3ncc4c(n3)N(C(=O)N4CCO)C5CCOCC5,
,,4HVI,,,,,,,
,,,19S:A:1201,valid,ic50,=,68.9,nM,C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4,
,,6DB3,,,,,,,
,,,G54:A:4000,valid,ic50,=,56,nM,C[C@@]1(CCc2c1cc(cc2)c3c4cc[nH]c4ncn3)NC#N,
,,7C3N,,,,,,,
,,,FHX:A:9000,valid,ic50,=,0.013,uM,C[C@H]1CN([C@]12CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N,
,,3ZEP,,,,,,,
,,,1NX:D:2100,valid,ic50,=,0.022,uM,C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C,
,,,1NX:A:2099,valid,ic50,=,0.022,uM,C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C,
,,,1NX:B:2101,valid,ic50,=,0.022,uM,C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C,
,,,1NX:C:2101,valid,ic50,=,0.022,uM,C[C@@H](C1CC1)NC(=O)c2c[nH]c3c2nc(cn3)Oc4ccc5c(c4)[C@@H](CC5)NC(=O)C,
,,,GOL:C:2102,invalid,,,,,C(C(CO)O)O,
,,4QT1,,,,,,,
,,,3C9:A:1201,valid,ic50,=,7,nM,CC(C)CS(=O)(=O)N1CCC[C@@H](C1)NC(=O)Nc2cnc3c(n2)cc[nH]3,
,,5LWN,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,79S:A:1209,valid,,,,,C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)C[C@@H](C#N)C(=O)N(C)C,
,,,PHU:A:1201,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,79R:A:1208,valid,ic50,=,17,nM,C[C@@H]1CCCC[C@@H]1n2c3c4cc[nH]c4ncc3nc2c5ccc(o5)/C=C(/C#N)C(=O)N(C)C,
,,3LXL,,,,,,,
,,,IZA:A:1,valid,,,,,CC(C)(C)c1[nH]c2c3c(c4cc(ccc4c2n1)F)C(=O)NC=C3,
,,6GL9,,,,,,,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:B:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1210,invalid,,,,,C(CO)O,
,,,EDO:B:1207,invalid,,,,,C(CO)O,
,,,EDO:B:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1209,invalid,,,,,C(CO)O,
,,,EDO:B:1209,invalid,,,,,C(CO)O,
,,,EDO:B:1206,invalid,,,,,C(CO)O,
,,,PHU:B:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,PHU:A:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,F3W:A:1201,valid,ic50,=,135,nM,c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N,
,,,F3W:B:1201,valid,ic50,=,135,nM,c1cc(cc(c1)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4)/C=C/C#N,
,,,GOL:B:1203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,6NY4,,,,,,,
,,,Z3A:A:4000,valid,ic50,~,3,nM,C[C@H]([C@@H](CO)Nc1c2cc(cn2ncc1C(=O)N)c3ccccc3)O,
,,6GLA,,,,,,,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,PHU:A:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,PHU:B:1202,invalid,,,,,c1ccc(cc1)NC(=O)N,
,,,F4B:B:1201,valid,ic50,=,27,nM,c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4,
,,,F4B:A:1201,valid,ic50,=,27,nM,c1cc(oc1/C=C/C#N)c2nc3cnc4c(c3n2C5CCCCC5)cc[nH]4,
,Family. Representative Entry is ,4CSV,,,,,,,
,,,STI:A:1265,valid,Ki,=,910,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,Family. Representative Entry is ,5H2U,,,,,,,
,,,1N1:C:501,valid,ic50,=,7,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:D:504,valid,ic50,=,7,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:B:501,valid,ic50,=,7,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:A:501,valid,ic50,=,7,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4RFM,,,,,,,
,,,3P6:A:701,valid,Ki,=,0.00009,uM,C[C@@]12Cc3c(c(n[nH]3)C(=O)Nc4cnn(c4)[C@H](c5ccccc5)[C@H]6CCCCS6(=O)=O)C[C@@H]1C2(F)F,
,,4M14,,,,,,,
,,,QWS:A:701,valid,,,,,CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,,QWS:A:702,valid,,,,,CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,3QGW,,,,,,,
,,,L7A:B:1,valid,Ki,=,1.3,uM,c1ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3,
,,,PQC:A:1,valid,,,,,c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N,
,,3V8W,,,,,,,
,,,0G2:A:701,valid,ic50,=,8.6,nM,CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O,
,,,0G2:B:702,valid,ic50,=,8.6,nM,CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)c5ccccc5)n[nH]3)O,
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4M15,,,,,,,
,,,ADP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,QWS:A:701,valid,,,,,CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,4M13,,,,,,,
,,,1E0:A:701,valid,Kd,=,0.2,uM,CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,3QGY,,,,,,,
,,,L7O:B:1,valid,Ki,=,0.016,uM,CNc1nccc(n1)C2=CNC(=O)C(=C2)NC(=O)c3ccc(cc3)N4CCCCC4,
,,,PQC:A:1,valid,,,,,c1ccc(cc1)c2cc3c(s2)ccc4c3nc(nc4)Nc5cccc(c5)S(=O)(=O)N,
,,1SM2,,,,,,,
,,,STU:A:301,valid,Ki,<,10,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:621,valid,Ki,<,10,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3MJ1,,,,,,,
,,,614:A:1,valid,Kd,=,15,nM,Cc1cc([nH]n1)NC2=NN(C(=O)c3c2ccc(c3)CN4CCN(CC4)C)C5CCOCC5,
,,3MIY,,,,,,,
,,,B49:A:1,valid,Kd,=,21,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,,B49:B:2,valid,Kd,=,21,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,3V8T,,,,,,,
,,,477:A:701,valid,ic50,=,0.3,nM,CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O,
,,,477:B:701,valid,ic50,=,0.3,nM,CCC(CC)(c1ccc2cc([nH]c2c1)c3c4c(cc(s4)C(F)F)n[nH]3)O,
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3V5L,,,,,,,
,,,0G1:A:701,valid,ic50,=,7,nM,CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O,
,,,0G1:B:701,valid,ic50,=,7,nM,CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O,
,,,0G1:C:701,valid,ic50,=,7,nM,CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O,
,,,0G1:D:701,valid,ic50,=,7,nM,CCC(CC)(c1ccc2c(c1)[nH]c(c2c3ccc(cc3)OC)c4c5c(ccs5)[nH]n4)O,
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L7S,,,,,,,
,,,G7K:A:701,valid,Ki,=,15.8,nM,COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F,
,,,G7K:B:701,valid,Ki,=,15.8,nM,COc1ccc2c(n1)sc(n2)Nc3cc(nc(n3)NC4CCC(CC4)O)C(c5ccc(cc5)F)(F)F,
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4M12,,,,,,,
,,,1YZ:A:701,valid,Kd,=,0.9,uM,CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,4QD6,,,,,,,
,,,30T:B:701,valid,Ki,=,2.3,nM,c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5,
,,,30T:A:701,valid,Ki,=,2.3,nM,c1ccc(cc1)c2cc(n[nH]2)Nc3cc(cc(n3)NC4CCC(CC4)O)S(=O)(=O)c5ccccc5,
,,4PQN,,,,,,,
,,,P4G:A:702,invalid,,,,,CCOCCOCCOCC,
,,,2W6:A:701,valid,Ki,=,0.7,nM,CC1(CCc2c([nH]nc2C(=O)Nc3cnn(c3)[C@@H](CCN(C)C)c4ccccc4)C1)C,
,,4M0Z,,,,,,,
,,,M0Z:A:701,valid,Kd,=,6.4,uM,COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,,M0Z:A:702,valid,Kd,=,6.4,uM,COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N,
,,4KIO,,,,,,,
,,,G6K:D:701,invalid,,,,,CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5,
,,,G6K:C:701,invalid,,,,,CCC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5,
,,,SO4:C:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G5K:A:701,valid,ic50,=,0.5,uM,C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5,
,,,G5K:C:702,valid,ic50,=,0.5,uM,C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5,
,,,G5K:B:701,valid,ic50,=,0.5,uM,C=CC(=O)N1CC[C@@H](C1)Nc2nc(cc(n2)Nc3nc4cccnc4s3)CN5CCOCC5,
,,,GOL:C:705,invalid,,,,,C(C(CO)O)O,
,,4MF1,,,,,,,
,,,29Y:A:701,valid,Ki,=,0.7,nM,CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5,
,,,29Y:B:701,valid,Ki,=,0.7,nM,CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5,
,,1SNU,,,,,,,
,,,STU:A:301,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:621,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3MJ2,,,,,,,
,,,MJG:A:1,valid,ic50,=,15,nM,Cc1cc(c(cc1Sc2cnc(s2)NC(=O)c3ccc(cc3)CN[C@@H](C)C(C)(C)C)C(=O)N4CCN(CC4)C(=O)C)OC,
,,4M0Y,,,,,,,
,,,M0Y:A:701,valid,Kd,=,0.35,uM,c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N,
,,,M0Y:A:702,valid,Kd,=,0.35,uM,c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N,
,Family. Representative Entry is ,3SXS,,,,,,,
,,,PP2:A:1,valid,,,,,CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N,
,,3SXR,,,,,,,
,,,1N1:A:1,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,1N1:B:2,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,SO4:A:676,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:676,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5C03,,,,,,,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,AGS:B:901,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:901,valid,Kd,=,15,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,2OFV,,,,,,,
,,,242:A:503,valid,ic50,=,0.2,nM,Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F,
,,,242:B:503,valid,ic50,=,0.2,nM,Cc1ccc(cc1c2ccc3c(c2)cnc(n3)N)C(=O)Nc4cccc(c4)C(F)(F)F,
,,2OFU,,,,,,,
,,,1N9:A:1,valid,ic50,=,0.0006,uM,Cc1cccc(c1OC(=O)N(c2ccc(cc2OC)OC)c3ccnc(n3)Nc4cc(c(c(c4)OC)OCCCN5CCN(CC5)C)OC)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OF2,,,,,,,
,,,547:A:201,valid,ic50,=,0.21,uM,c1ccc(cc1)c2c3c(ccnc3oc2c4ccccc4)NCCN5CCNCC5,
,,3BYS,,,,,,,
,,,AM5:A:1,valid,ic50,=,0.5,nM,Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,3B2W,,,,,,,
,,,9NH:A:601,valid,ic50,=,0.6,nM,Cc1ccc(cc1NC(=O)c2cnc(nc2OC)Nc3ccc(cc3)N4CCNCC4)C(=O)Nc5cccc(c5F)C(F)(F)F,
,,1QPJ,,,,,,,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:902,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,1QPE,,,,,,,
,,,PP2:A:1904,valid,ic50,=,20,nM,CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BYU,,,,,,,
,,,AM6:A:1,valid,ic50,=,0.8,nM,Cc1ccc(cc1C(=O)Nc2cnc(nc2)Nc3ccc(cc3)N4CCN(CC4)C)NC(=O)c5cccc(c5C)C(F)(F)F,
,,6PDJ,,,,,,,
,,,NI:A:605,Part of Protein,,,,,[Ni+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ODJ:A:601,valid,,,,,Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C,
,,,CXS:A:602,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,1QPD,,,,,,,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:902,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3BYM,,,,,,,
,,,AM0:A:1,valid,ic50,=,0.006,uM,COc1cc(cc(c1OC)OC)Nc2ncnc(n2)n3c4ccccc4nc3Nc5ccccc5,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZM1,,,,,,,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,KSF:A:513,valid,ic50,=,220,nM,c1ccc(cc1)c2cnc(c3n2cnc3)Nc4ccccc4Cl,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QPC,,,,,,,
,,,ANP:A:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KXZ,,,,,,,
,,,925:A:1,valid,ic50,=,0.035,uM,CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C,
,,,CA:A:3,invalid,,,,,[Ca+2],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3MPM,,,,,,,
,,,5LK:A:1,valid,ic50,=,30,nM,CN1CCN(CC1)c2cccc(c2)c3cnn4c3N=C[C@H](C4N)c5ccc(cc5)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,3BYO,,,,,,,
,,,AM9:A:1,valid,ic50,=,7,nM,Cc1cccc(c1N2c3nc4ccccc4n3-c5c(cnc(n5)Nc6ccc(cc6)N7CCN(CC7)C)C2=O)C,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2OG8,,,,,,,
,,,1N8:A:501,valid,ic50,=,0.5,nM,CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F,
,,,1N8:B:502,valid,ic50,=,0.5,nM,CCN(CC)CC(=O)Nc1ccc(cc1NC(=O)c2ccc(c(c2)c3ccc4c(c3)cnc(n4)NC)C)C(F)(F)F,
,,4C3F,,,,,,,
,,,7KW:A:1499,valid,,,,,c1ccc(cc1)c2c(c[nH]n2)c3ccnc(n3)Nc4ccccc4,
,Family. Representative Entry is ,4FL3,,,,,,,
,,,ANP:A:701,valid,Kd,=,150,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,4FL2,,,,,,,
,,,ANP:A:702,valid,Kd,=,220,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6SM8,,,,,,,
,,,LKT:A:1201,valid,ic50,=,0.02,uM,c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4,
,,,LKT:B:1201,valid,ic50,=,0.02,uM,c1cc(c(c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3cc(cn3)c4c5cc[nH]c5ncn4,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,6C7Y,,,,,,,
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,MG:A:1203,Part of Protein,,,,,[Mg+2],
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,ADP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,5VC5,,,,,,,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,96M:A:601,valid,Kd,=,11,nM,CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,5VC3,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,CL:A:606,invalid,,,,,[Cl-],
,,,DB8:A:601,valid,Kd,=,77.5,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,3BI6,,,,,,,
,,,396:A:901,valid,ic50,=,15,nM,Cn1c2cc(c3c(c2c4c1cc(c(c4)O)C(=O)NCCN5CCCC5)C(=O)NC3=O)c6ccccc6Cl,
,,,CL:A:601,invalid,,,,,[Cl-],
,,5VD2,,,,,,,
,,,34W:A:601,valid,,,,,CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1c3c2ccc(c3)Nc4ncc(c(n4)NC5CCC5)C(F)(F)F,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1X8B,,,,,,,
,,,824:A:901,valid,ic50,=,97,nM,c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,5VC6,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,P48:A:601,valid,Kd,=,13.6,nM,CC1(Cc2cnc(nc2-c3c1c(nn3C)C(=O)NC)Nc4ccc(cc4)N5CCN(CC5)C)C,
,,5VC4,,,,,,,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,XZN:A:601,valid,Kd,=,43.7,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(c(c4)Cl)OC)Cl,
,,5V5Y,,,,,,,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,8X7:A:601,valid,Kd,=,13.4,nM,CC(C)(c1cccc(n1)N2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N2CC=C)O,
,,3BIZ,,,,,,,
,,,61E:A:576,valid,ic50,=,58,nM,Cn1c2cc(c3c(c2c4c1cc(c(c4)O)OCCCN(C)C)C(=O)NC3=O)c5ccccc5Cl,
,,,CL:A:1,invalid,,,,,[Cl-],
,,2IN6,,,,,,,
,,,839:A:901,valid,ic50,=,0.023,uM,c1ccc(cc1)c2cc3c(c4cc(ccc4n3CCC(=O)O)O)c5c2C(=O)NC5=O,
,,2IO6,,,,,,,
,,,330:A:901,valid,ic50,=,0.03,uM,COc1ccccc1c2cc3c(c4cc(ccc4n3CCCO)O)c5c2C(=O)NC5=O,
,Family. Representative Entry is ,6KC4,,,,,,,
,,,ASP GLU PTR GLU ASN VAL ASP:D:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,,ASP GLU PTR GLU ASN VAL ASP:B:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,,ASP GLU PTR GLU ASN VAL ASP:J:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,,ASP GLU PTR GLU ASN VAL ASP:L:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,,ASP GLU PTR GLU ASN VAL ASP:H:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,,,ASP GLU PTR GLU ASN VAL ASP:F:1,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CCC(=O)[O-])cc1)([O-])[O-],
,Family. Representative Entry is ,4HXJ,,,,,,,
,,,ARG GLY THR:C:760,valid,Kd,~,74.3,uM,O=C([O-])C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)C(O)C,
,Family. Representative Entry is ,3SRV,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:636,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4,invalid,,,,,C(C(CO)O)O,
,,,S19:A:1,valid,ic50,=,31.6,nM,Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N,
,,,S19:B:2,valid,ic50,=,31.6,nM,Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3CCOC[C@@H]3N)C(=O)N,
,Family. Representative Entry is ,2HK5,,,,,,,
,,,1BM:A:499,valid,ic50,=,46,nM,CCN(CC)CCNc1cc(nc(n1)n2cnc3c2cccc3)Nc4cc(ccc4C)O,
,,5ZJ6,,,,,,,
,,,VSE:A:601,valid,,,,,CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6,
,,,VSE:B:601,valid,,,,,CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6,
2.7.1.1,,,,,,,,,
,Family. Representative Entry is ,3O8M,,,,,,,
,,,BGC:A:487,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:488,invalid,,,,,[Cl-],
,,,CL:A:489,invalid,,,,,[Cl-],
,,,CL:A:490,invalid,,,,,[Cl-],
,,,CL:A:491,invalid,,,,,[Cl-],
,,,GLC:A:486,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3O5B,,,,,,,
,,,BGC:A:486,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:486,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:488,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:487,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3O80,,,,,,,
,,,ANP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4QS9,,,,,,,
,,,BGC:A:501,valid,Kd,=,15,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4QS7,,,,,,,
,,,BGC:A:501,valid,Kd,=,89,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1CZA,,,,,,,
,,,ADP:N:922,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,G6P:N:919,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:N:921,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,GLC:N:918,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:N:920,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1QHA,,,,,,,
,,,ANP:A:999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1999,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,G6P:A:919,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:921,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:1916,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:1918,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,GLC:A:918,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:920,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1915,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1917,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MG:A:922,Part of Protein,,,,,[Mg+2],
,,,MG:A:923,Part of Protein,,,,,[Mg+2],
,,,MG:A:924,Part of Protein,,,,,[Mg+2],
,,,MG:B:1919,Part of Protein,,,,,[Mg+2],
,,,MG:B:1920,Part of Protein,,,,,[Mg+2],
,,,MG:B:1921,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4MO4,,,,,,,
,,,ACP:A:500,valid,Kd,=,0.06,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:500,valid,Kd,=,0.06,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:500,valid,Kd,=,0.06,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:500,valid,Kd,=,0.06,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,3QBW,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MO5,,,,,,,
,,,ACP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,AH0:D:401,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,AH0:A:401,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,AH0:B:401,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,AH0:C:401,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,MG:D:403,invalid,,,,,[Mg+2],
,,3QBX,,,,,,,
,,,AH0:A:653,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,AH0:B:654,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C,
,,,SO4:A:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:372,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2E2P,,,,,,,
,,,ADP:A:600,valid,Ki,=,18,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,Ki,=,18,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:B:605,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2E2O,,,,,,,
,,,BGC:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,2E2Q,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,XYP:A:300,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O,
3.5.3.6,,,,,,,,,
,Family. Representative Entry is ,2A9G,,,,,,,
,,,ARG:A:1500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:2500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:3500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:4500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
2.1.1.182,,,,,,,,,
,Family. Representative Entry is ,6IFT,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
3.4.24.89,,,,,,,,,
,Family. Representative Entry is ,6R4Z,,,,,,,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,ACE GLU VAL ASN PRO:D:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO:E:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,6R57,,,,,,,
,,,ACE GLU VAL ASN PRO PRO VAL LPD:D:10,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO PRO VAL LPD:C:10,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6R4X,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN PRO ALA VAL LPD:D:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)C)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO ALA VAL LPD:C:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)C)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,5A0R,,,,,,,
,,,ZN:A:1221,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1221,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN PRO:E:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO:D:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,GOL:A:1223,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1224,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1222,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1222,invalid,,,,,C(C(CO)O)O,
,,5A0X,,,,,,,
,,,ZN:A:1221,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1221,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN PRO PRO VAL PRO NH2:D:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)[NH3+])CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO PRO VAL PRO NH2:C:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)[NH3+])CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,6R4W,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN ALA PRO VAL LPD:C:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,6R5C,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN PRO PRO VAL LPD:C:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO PRO VAL LPD:D:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,6R51,,,,,,,
,,,ACE SER LEU ARG PRO ALA PRO LPD:E:31,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N3C(C(=O)N)CCC3)CCC2)C)CCC1)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C)CO,
,,,ACE SER LEU ARG PRO ALA PRO LPD:F:31,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N3C(C(=O)N)CCC3)CCC2)C)CCC1)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C)CO,
,,,ACE SER LEU ARG PRO ALA PRO LPD:D:31,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N3C(C(=O)N)CCC3)CCC2)C)CCC1)CCCNC(=[NH2+])N)CC(C)C)C(NC(=O)C)CO,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6R58,,,,,,,
,,,ACE GLU VAL ASN ALA PRO VAL LPD:G:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN ALA PRO VAL LPD:E:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN ALA PRO VAL LPD:I:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN ALA PRO VAL LPD:F:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ZN:C:300,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,NI:D:302,Part of Protein,,,,,[Ni+2],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6R4Y,,,,,,,
,,,ACE GLU VAL ASN PRO:D:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO:E:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ZN:A:300,Part of Protein,,,,,[Zn+2],
,,,ZN:B:300,Part of Protein,,,,,[Zn+2],
,,6R50,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ACE GLU VAL ASN ALA PRO VAL LPD:C:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN ALA PRO VAL LPD:D:0,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)N2C(C(=O)N)CCC2)C(C)C)CCC1)C)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,6R59,,,,,,,
,,,ACE GLU VAL ALA PRO PRO VAL LPD:C:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)C)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ALA PRO PRO VAL LPD:E:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)C)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6R5B,,,,,,,
,,,ACE GLU VAL ASN PRO PRO VAL LPD:C:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,,ACE GLU VAL ASN PRO PRO VAL LPD:E:118,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)N)CCC3)C(C)C)CCC2)CCC1)CC(=O)N)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C(C)C,
,,5N12,,,,,,,
,,,8FH:A:302,valid,,,,,C(C(Cl)(Cl)Cl)O,
,,,8FH:B:303,valid,,,,,C(C(Cl)(Cl)Cl)O,
,,,8FH:B:302,valid,,,,,C(C(Cl)(Cl)Cl)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,TRS:B:304,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
1.6.2.2,,,,,,,,,
,Family. Representative Entry is ,3W2E,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3W5H,,,,,,,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5GV8,,,,,,,
,,,FAD:A:1301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,3W2F,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3W2I,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5GV7,,,,,,,
,,,FAD:A:1301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,1UMK,,,,,,,
,,,FAD:A:1301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3W2H,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1NDH,,,,,,,
,,,FAD:A:273,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3W2G,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6MV2,,,,,,,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,6MV1,,,,,,,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2EIX,,,,,,,
,,,FAD:A:1301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:1501,invalid,,,,,[I-],
,,,IOD:A:1502,invalid,,,,,[I-],
,,,IOD:A:1503,invalid,,,,,[I-],
,,,IOD:B:1504,invalid,,,,,[I-],
,,,NA:A:1602,invalid,,,,,[Na+],
,,,NA:B:1601,invalid,,,,,[Na+],
,Family. Representative Entry is ,1QX4,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1IB0,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:1994,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1I7P,,,,,,,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
2.7.7.15,,,,,,,,,
,Family. Representative Entry is ,3HL4,,,,,,,
,,,CDC:A:237,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,CDC:B:237,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,FMT:A:239,invalid,,,,,C(=O)O,
,,,FMT:A:240,invalid,,,,,C(=O)O,
,,,FMT:A:241,invalid,,,,,C(=O)O,
,,,FMT:A:242,invalid,,,,,C(=O)O,
,,,FMT:B:238,invalid,,,,,C(=O)O,
,,,FMT:B:239,invalid,,,,,C(=O)O,
,,,FMT:B:240,invalid,,,,,C(=O)O,
,,,GOL:A:238,invalid,,,,,C(C(CO)O)O,
6.3.4.3,,,,,,,,,
,Family. Representative Entry is ,4IOK,,,,,,,
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,ADP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TOE:A:606,invalid,,,,,COCCOCCOCCO,
,,,TOE:B:605,invalid,,,,,COCCOCCOCCO,
,,,TOE:A:605,invalid,,,,,COCCOCCOCCO,
,,,XPO:B:603,valid,,,,,C(=O)OP(=O)(O)O,
,,,XPO:A:603,valid,,,,,C(=O)OP(=O)(O)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JJZ,,,,,,,
,,,ADP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:B:606,Part of Protein,,,,,[Mg+2],
,,,TOE:B:604,invalid,,,,,COCCOCCOCCO,
,,,TOE:A:604,invalid,,,,,COCCOCCOCCO,
,,,XPO:B:603,valid,,,,,C(=O)OP(=O)(O)O,
,,,XPO:A:603,valid,,,,,C(=O)OP(=O)(O)O,
,,,1PE:B:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
1.3.1.26,,,,,,,,,
,Family. Representative Entry is ,1DRV,,,,,,,
,,,A3D:A:301,valid,Kd,=,0.29,uM,CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O,
,,1DRW,,,,,,,
,,,NHD:A:301,valid,Kd,=,1.48,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5O)O)O)O)O)C(=O)N,
,,1DIH,,,,,,,
,,,NDP:A:301,valid,Kd,=,2.12,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1DRU,,,,,,,
,,,NAD:A:301,valid,Kd,=,0.46,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1VM6,,,,,,,
,,,ACT:A:217,invalid,,,,,CC(=O)[O-],
,,,ACT:A:218,invalid,,,,,CC(=O)[O-],
,,,ACT:B:217,invalid,,,,,CC(=O)[O-],
,,,ACT:B:218,invalid,,,,,CC(=O)[O-],
,,,ACT:B:219,invalid,,,,,CC(=O)[O-],
,,,ACT:B:220,invalid,,,,,CC(=O)[O-],
,,,ACT:B:221,invalid,,,,,CC(=O)[O-],
,,,ACT:B:222,invalid,,,,,CC(=O)[O-],
,,,ACT:C:217,invalid,,,,,CC(=O)[O-],
,,,ACT:C:218,invalid,,,,,CC(=O)[O-],
,,,ACT:D:217,invalid,,,,,CC(=O)[O-],
,,,ACT:D:218,invalid,,,,,CC(=O)[O-],
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,NAD:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PG4:B:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:302,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:302,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1C3V,,,,,,,
,,,NDP:A:801,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1301,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PDC:A:802,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:B:1302,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PG4:B:2000,invalid,,,,,C(COCCOCCOCCO)O,
,,1YL7,,,,,,,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:406,Part of Protein,,,,,[Mg+2],
,,,MG:G:402,Part of Protein,,,,,[Mg+2],
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:G:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:H:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1P9L,,,,,,,
,,,PDC:A:302,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:B:402,valid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PG4:B:2000,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
2.1.3.-,,,,,,,,,
,Family. Representative Entry is ,3VET,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CP:A:602,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,FE2:A:607,Part of Protein,,,,,[Fe+2],
,,,K:A:606,invalid,,,,,[K+],
,,,MN:A:605,Part of Protein,,,,,[Mn+2],
,,,TOY:A:604,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,3VEZ,,,,,,,
,,,ADP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CP:A:605,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,K:A:606,invalid,,,,,[K+],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,3VEW,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FE2:A:602,Part of Protein,,,,,[Fe+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VES,,,,,,,
,,,APC:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CP:A:601,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,FE2:A:605,Part of Protein,,,,,[Fe+2],
,,,K:A:604,invalid,,,,,[K+],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,3VF4,,,,,,,
,,,ADP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CP:A:604,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,K:A:602,Part of Protein,,,,,[K+],
,,3VEX,,,,,,,
,,,CA0:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VEO,,,,,,,
,,,CP:A:601,valid,,,,,C(=O)(N)OP(=O)(O)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,FE2:A:602,Part of Protein,,,,,[Fe+2],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:A:604,Part of Protein,,,,,[K+],
,,3VER,,,,,,,
,,,CA0:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N,
,,,CA0:A:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N,
,,,FE2:A:601,Part of Protein,,,,,[Fe+2],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3TTC,,,,,,,
,,,ADP:A:747,valid,Kd,~,4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:748,valid,Kd,~,4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3TSQ,,,,,,,
,,,CA0:A:748,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OC(=O)N)O)O)N,
,,,MG:A:749,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3TSU,,,,,,,
,,,ADP:A:747,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ANP:A:748,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,3TTF,,,,,,,
,,,AMP:A:747,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
2.7.1.39,,,,,,,,,
,Family. Representative Entry is ,1H74,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ILE:A:500,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:B:500,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:C:500,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:D:500,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,MG:B:600,Part of Protein,,,,,[Mg+2],
,,,AGS:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:D:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,1H72,,,,,,,
,,,ANP:C:1301,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,HSE:C:1300,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,TRS:C:1302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1FWK,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:D:597,Part of Protein,,,,,[Mg+2],
,,1H73,,,,,,,
,,,ANP:A:418,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,THR:A:401,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
3.8.1.5,,,,,,,,,
,Family. Representative Entry is ,4F5Z,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,BEZ:A:302,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,4C6H,,,,,,,
,,,CL:A:1293,invalid,,,,,[Cl-],
,,,PGE:A:1294,invalid,,,,,C(COCCOCCO)O,
,,,HE2:A:1295,valid,,,,,CCCCCCO,
,Family. Representative Entry is ,3U1T,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:A:350,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,CL:B:351,invalid,,,,,[Cl-],
,,,MLI:A:351,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:350,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1G42,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CP2:A:701,valid,Ki,=,0.97,mM,C[C@@H](CCl)Cl,
,,,CP2:A:702,valid,Ki,=,0.97,mM,C[C@@H](CCl)Cl,
,,,CP2:A:703,valid,Ki,=,0.97,mM,C[C@@H](CCl)Cl,
,,1K6E,,,,,,,
,,,1BP:A:2002,valid,,,,,C[C@H](CBr)O,
,,,1BP:A:2003,valid,,,,,C[C@H](CBr)O,
,,,BR:A:1001,invalid,,,,,[Br-],
,,,BR:A:1002,invalid,,,,,[Br-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,MG:A:1005,invalid,,,,,[Mg+2],
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:A:1007,invalid,,,,,[Mg+2],
,,,PGO:A:2001,invalid,,,,,C[C@@H](CO)O,
,,2BFN,,,,,,,
,,,CA:A:1299,Part of Protein,,,,,[Ca+2],
,,,CA:A:1300,Part of Protein,,,,,[Ca+2],
,,,CA:A:1301,Part of Protein,,,,,[Ca+2],
,,,CL:A:1298,invalid,,,,,[Cl-],
,,,D2P:A:1297,valid,,,,,C([C@@H](CCl)Cl)O,
,,1G5F,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,DCE:A:601,valid,Ki,=,2.31,mM,C(CCl)Cl,
,,1K63,,,,,,,
,,,BR:A:1001,invalid,,,,,[Br-],
,,,BR:A:1002,invalid,,,,,[Br-],
,,,BRP:A:2001,valid,,,,,C=C(CO)Br,
,,,BRP:A:2002,valid,,,,,C=C(CO)Br,
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,MG:A:1005,invalid,,,,,[Mg+2],
,,,MG:A:1006,invalid,,,,,[Mg+2],
,,,MG:A:1007,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2DHC,,,,,,,
,,,DCE:A:600,valid,,,,,C(CCl)Cl,
5.1.3.7,,,,,,,,,
,Family. Representative Entry is ,3LU1,,,,,,,
,,,NA:D:345,invalid,,,,,[Na+],
,,,NAD:A:343,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:343,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:343,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:344,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:C:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD2:A:344,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:B:344,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:C:344,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:D:343,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,1SB8,,,,,,,
,,,NAD:A:342,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UD2:A:343,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,1SB9,,,,,,,
,,,NAD:A:342,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:343,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
2.5.1.47,,,,,,,,,
,Family. Representative Entry is ,1Y7L,,,,,,,
,,,GLY ILE ASP ASP GLY MET ASN LEU ASN ILE:P:264,valid,Ki,=,130,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CC(C)C)CC(=O)N)C(CC)C,
,,,SO4:A:6000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IQG,,,,,,,
,,,MET ASN TRP ASN ILE:P:264,valid,Kd,=,24.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)Cc1c2c([nH]c1)cccc2)CC(=O)N)C(CC)C,
,,3IQH,,,,,,,
,,,MET ASN TYR ASP ILE:P:265,valid,Kd,=,25.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)CC(=O)[O-])C(CC)C,
,,,SO4:X:317,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IQI,,,,,,,
,,,MET ASN GLU ASN ILE:P:264,valid,Kd,=,38.7,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)[O-])CC(=O)N)C(CC)C,
,Family. Representative Entry is ,4LMB,,,,,,,
,,,CYS CYS:A:401,valid,Kd,=,186,uM,,
,,,PLP:A:403,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3ZEI,,,,,,,
,,,PLP:A:1301,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,AWH:A:1302,valid,ic50,=,0.103,uM,CN1C(=O)/C(=C/c2ccccc2OCC(=O)O)/S/C1=Nc3cccc(c3)C(=O)O,
,,,MPD:A:1303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2Q3D,,,,,,,
,,,MPD:A:312,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PDA:A:311,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,2Q3C,,,,,,,
,,,ASP PHE SER ILE:B:1,valid,Ki,=,5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)CO)C(CC)C,
,,,MPD:A:311,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,4JBL,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MET:B:401,valid,Kd,=,0.54,mM,CSCC[C@@H](C(=O)O)N,
,,4IL5,,,,,,,
,,,ILE:A:401,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JBN,,,,,,,
,,,SER PRO SER ILE:C:400,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)C)CO)C(CC)C,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BM5,,,,,,,
,,,CYS:B:402,valid,Kd,=,1.1,mM,C([C@@H](C(=O)O)N)S,
,,,PLP:A:342,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:343,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VC3,,,,,,,
,,,C6P:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,C6P:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,C6P:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,C6P:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,C6P:E:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,C6P:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
3.1.3.70,,,,,,,,,
,Family. Representative Entry is ,3ZX4,,,,,,,
,,,2M8:A:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,2M8:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,MG:A:260,Part of Protein,,,,,[Mg+2],
,,,MG:B:260,Part of Protein,,,,,[Mg+2],
,,,PO4:A:261,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:261,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ZUP,,,,,,,
,,,2M8:A:1256,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,2M8:B:1256,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,MG:A:1254,Part of Protein,,,,,[Mg+2],
,,,MG:B:1254,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ZWD,,,,,,,
,,,2M8:A:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,2M8:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,MG:B:260,Part of Protein,,,,,[Mg+2],
,,3ZX5,,,,,,,
,,,2M8:A:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,2M8:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,MG:A:260,Part of Protein,,,,,[Mg+2],
,,,MG:B:260,Part of Protein,,,,,[Mg+2],
,,,VN4:A:261,invalid,,,,,[O-][V](=O)=O,
,,,VN4:B:261,invalid,,,,,[O-][V](=O)=O,
,,3ZW7,,,,,,,
,,,2M8:B:262,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,CL:A:1254,invalid,,,,,[Cl-],
,,,MG:A:260,Part of Protein,,,,,[Mg+2],
,,,MG:B:260,Part of Protein,,,,,[Mg+2],
,,,PO3:B:261,invalid,,,,,[O-][P-](=O)[O-],
,,,PO4:A:1253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3ZU6,,,,,,,
,,,2M8:B:1255,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)O)O)O)O)O,
,,,MG:B:1253,Part of Protein,,,,,[Mg+2],
,,,PO4:B:1254,invalid,,,,,[O-]P(=O)([O-])[O-],
4.2.3.2,,,,,,,,,
,Family. Representative Entry is ,5G4J,,,,,,,
,,,EXT:A:1441,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O,
,,,EXT:B:1440,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/CCOP(=O)(O)O)O,
,,,NA:A:1443,Part of Protein,,,,,[Na+],
,,,NA:A:1442,invalid,,,,,[Na+],
,,,NA:B:1441,invalid,,,,,[Na+],
,Family. Representative Entry is ,6TOR,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,PMP:B:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:504,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
1.1.1.302,,,,,,,,,
,Family. Representative Entry is ,4HA9,,,,,,,
,,,NDP:A:301,valid,Ka,=,15000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
3.2.1.63,,,,,,,,,
,Family. Representative Entry is ,2EAE,,,,,,,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,FUC:A:899,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:900,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,GLC GAL:B:1,valid,,,,,,
,,2EAC,,,,,,,
,,,CA:A:899,Part of Protein,,,,,[Ca+2],
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:B:899,Part of Protein,,,,,[Ca+2],
,,,CA:B:900,Part of Protein,,,,,[Ca+2],
,,,DFU:A:1690,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,,DFU:B:1691,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H](CN1)O)O)O,
,,2EAD,,,,,,,
,,,BGC GAL FUC:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,CA:A:899,Part of Protein,,,,,[Ca+2],
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,MES:B:904,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
3.6.1.52,,,,,,,,,
,Family. Representative Entry is ,6PCK,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,O81:A:201,valid,,,,,[C@H]1([C@H](C([C@@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,6PCL,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,I7P:A:201,valid,,,,,[C@H]1([C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2FVV,,,,,,,
,,,CL:A:2361,invalid,,,,,[Cl-],
,,,IHP:A:2360,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q9P,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,F:A:402,invalid,,,,,[F-],
,,,F:A:405,invalid,,,,,[F-],
,,,F:A:406,invalid,,,,,[F-],
,,,F:A:407,invalid,,,,,[F-],
,,,F:A:408,invalid,,,,,[F-],
,,,F:A:409,invalid,,,,,[F-],
,,,F:A:410,invalid,,,,,[F-],
,,,F:A:411,invalid,,,,,[F-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,IHP:A:201,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
3.4.21.36,,,,,,,,,
,Family. Representative Entry is ,6TH7,,,,,,,
,,,O4Q 5XU ABA ILE ABA VAL N9K PHA AA4:A:304,valid,ic50,=,1.18,nM,ClC=C(CC(=O)NC(C(=O)NC(C(=O)NC1C(=O)NC(CC)C(=O)NC2C(=O)N(C(Cc3ccccc3)C(=O)N(C)C(Cc3ccc(O)cc3)C(=O)NC(C(C)C)[C-]([O-])OC1C)C(O)CC2)C(CC)C)C)C,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,O4Q 5XU ABA ILE ABA VAL YNM PHA AA4:B:304,valid,ic50,=,1.18,nM,,
,,1ELC,,,,,,,
,,,0Z3:A:256,valid,,,,,CC(C)c1ccc(cc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F,
,,,CA:A:280,Part of Protein,,,,,[Ca+2],
,,1ELD,,,,,,,
,,,0Z0:E:256,valid,Ki,=,0.2,uM,NULL,
,,,ACY:E:300,invalid,,,,,CC(=O)O,
,,,CA:E:280,Part of Protein,,,,,[Ca+2],
,,7EST,,,,,,,
,,,0Z2:E:1,valid,,,,,CC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)C(F)(F)F)NC(=O)C(F)(F)F,
,,,CA:E:11,Part of Protein,,,,,[Ca+2],
,,,DMF:E:5,invalid,,,,,CN(C)C=O,
,,,DMF:E:6,invalid,,,,,CN(C)C=O,
,,,DMF:E:7,invalid,,,,,CN(C)C=O,
,,,DMF:E:8,invalid,,,,,CN(C)C=O,
,,,DMF:E:9,invalid,,,,,CN(C)C=O,
,,,SO4:E:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BD4,,,,,,,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LYS TYR PRO PHE VAL GLU PRO ILE:P:1001,valid,,,,,O=C(NC(C=O)C)C([NH3+])C(CC)C,
,,1ELB,,,,,,,
,,,0Z4:A:256,valid,Ki,=,70,nM,CC(C)C[C@@H](C(=O)Nc1ccc(cc1)C(C)C)NC(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F,
,,,CA:A:280,Part of Protein,,,,,[Ca+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ELE,,,,,,,
,,,0QN:E:256,valid,Ki,=,0.14,uM,NULL,
,,,CA:E:280,Part of Protein,,,,,[Ca+2],
,,,SO4:E:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GVU,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,6NA GLN THR DBU GLJ PHE YNM VAL:B:1,valid,ic50,=,30,nM,O=C(NC1C(O)N(C(C(O)N(C(C(O)NC(C=O)C(C)C)Cc2ccc(O)cc2)C)Cc2ccccc2)C(O)CC1)C(NC(=O)C(NC(=O)C(NC(=O)CCCCC)CCC(=O)N)C(O)C)=CC,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NES,,,,,,,
,,,ACE ALA PRO ALA:I:600,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C)C)CCC1)C,
,,,ACE ALA PRO ALA:J:605,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C)C)CCC1)C,
,,,CA:E:362,Part of Protein,,,,,[Ca+2],
,,,SO4:E:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BDB,,,,,,,
,,,ALA ALA:A:1001,valid,,,,,O=C([O-])C(NC(=O)C(N)C)C,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,SO4:A:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BMA,,,,,,,
,,,0QH:A:256,valid,Ki,=,26,uM,NULL,
,,,CA:A:280,Part of Protein,,,,,[Ca+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2EST,,,,,,,
,,,2Z5:E:1,valid,,,,,NULL,
,,,SO4:E:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1ELA,,,,,,,
,,,0Z1:A:256,valid,Ki,=,0.44,uM,CC(C)c1ccc(cc1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCC[NH3+])NC(=O)C(F)(F)F,
,,,ACY:A:300,invalid,,,,,CC(=O)O,
,,,CA:A:280,Part of Protein,,,,,[Ca+2],
,,,SO4:A:290,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QR3,,,,,,,
,,,ALQ CIR THR DBU GLJ PHE TYJ VAL:I:1,valid,ic50,=,0.26,uM,O=C(NC1C(=O)NC(C(O)C)C(=O)NC(=CC)C(=O)NC2C(=O)N(C(Cc3ccccc3)C(=O)N(C)C(C(=O)NC(C=O)C(C)C)Cc3c(NC(=O)NCCC1)cc(O)c(O)c3)C(O)CC2)C(C)C,
,,,CA:E:400,Part of Protein,,,,,[Ca+2],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2CV3,,,,,,,
,,,THR THR LEU LYS PHE PRO SER ASP TRP ASP ASP:B:256,valid,ic50,=,0.27,uM,,
1.11.1.1,,,,,,,,,
,Family. Representative Entry is ,2NPX,,,,,,,
,,,FAD:A:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:818,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1NHS,,,,,,,
,,,FAD:A:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:449,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1F8W,,,,,,,
,,,FAD:A:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1NHP,,,,,,,
,,,FAD:A:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:449,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:450,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NHR,,,,,,,
,,,FAD:A:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:449,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:450,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NPX,,,,,,,
,,,FAD:A:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1NHQ,,,,,,,
,,,FAD:A:448,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:449,invalid,,,,,[O-]S(=O)(=O)[O-],
3.6.3.8,,,,,,,,,
,Family. Representative Entry is ,3AR5,,,,,,,
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,,TM1:A:1002,valid,Kd,=,7.62,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)OC5(O4)C(=CC(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N,
,,3AR2,,,,,,,
,,,ACP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:995,Part of Protein,,,,,[Ca+2],
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PC1:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,2AGV,,,,,,,
,,,BHQ:A:1004,valid,Kd,=,20,nM,CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O,
,,,BHQ:B:1104,valid,Kd,=,20,nM,CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O,
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:1111,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:1112,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:1113,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,,TG1:B:1103,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,2ZBD,,,,,,,
,,,ALF ADP:A:998,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,CA:A:995,Part of Protein,,,,,[Ca+2],
,,,CA:A:996,Part of Protein,,,,,[Ca+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,PC1:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,3FGO,,,,,,,
,,,15344_:A:1003,Part of Protein,,,,,,
,,,15345_15346_15347_15348_:A:1003,invalid,,,,,,
,,,15417_:B:1003,Part of Protein,,,,,,
,,,15418_15419_15420_15421_:B:1003,invalid,,,,,,
,,,ACP:A:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACT:A:3001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3002,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3001,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3002,invalid,,,,,CC(=O)[O-],
,,,CZA:A:1005,valid,,,,,CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O,
,,,CZA:B:1005,valid,,,,,CC(=O)C1=C(N2[C@H](C1=O)[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C2(C)C)O,
,,,K:A:1004,Part of Protein,,,,,[K+],
,,,K:B:1004,Part of Protein,,,,,[K+],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MN:A:1006,Part of Protein,,,,,[Mn+2],
,,,MN:A:1008,Part of Protein,,,,,[Mn+2],
,,,MN:B:1006,Part of Protein,,,,,[Mn+2],
,,2DQS,,,,,,,
,,,ACP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,1WPG,,,,,,,
,,,30692_:A:998,Part of Protein,,,,,,
,,,30693_30694_30695_30696_:A:998,invalid,,,,,,
,,,30773_:B:1098,Part of Protein,,,,,,
,,,30774_30775_30776_30777_:B:1098,invalid,,,,,,
,,,30854_:C:1198,Part of Protein,,,,,,
,,,30855_30856_30857_30858_:C:1198,invalid,,,,,,
,,,30935_:D:1298,Part of Protein,,,,,,
,,,30936_30937_30938_30939_:D:1298,invalid,,,,,,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:997,Part of Protein,,,,,[Mg+2],
,,,MG:C:1201,Part of Protein,,,,,[Mg+2],
,,,MG:C:997,Part of Protein,,,,,[Mg+2],
,,,MG:D:1301,Part of Protein,,,,,[Mg+2],
,,,MG:D:997,Part of Protein,,,,,[Mg+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,NA:B:1100,Part of Protein,,,,,[Na+],
,,,NA:C:1200,Part of Protein,,,,,[Na+],
,,,NA:D:1300,Part of Protein,,,,,[Na+],
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,,TG1:B:1103,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,,TG1:C:1203,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,,TG1:D:1303,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,3AR4,,,,,,,
,,,ATP:A:1002,valid,Kd,=,156,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,3AR3,,,,,,,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:997,Part of Protein,,,,,[Mg+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,3AR6,,,,,,,
,,,12D:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N,
,,,MG:A:998,invalid,,,,,[Mg+2],
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
,,3AR7,,,,,,,
,,,128:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N,
,,,NA:A:1000,Part of Protein,,,,,[Na+],
,,,PTY:A:1011,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1012,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1013,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TG1:A:1003,invalid,,,,,CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=CC)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O,
2.1.1.174,,,,,,,,,
,Family. Representative Entry is ,4DCM,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
3.4.99.37,,,,,,,,,
,Family. Representative Entry is ,2ZR9,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DTP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
4.4.1.20,,,,,,,,,
,Family. Representative Entry is ,6R7D,,,,,,,
,,,NI:G:202,Part of Protein,,,,,[Ni+2],
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,,,NI:J:202,Part of Protein,,,,,[Ni+2],
,,,NI:B:202,Part of Protein,,,,,[Ni+2],
,,,NI:D:202,Part of Protein,,,,,[Ni+2],
,,,NI:I:202,Part of Protein,,,,,[Ni+2],
,,,NI:L:202,Part of Protein,,,,,[Ni+2],
,,,NI:C:202,Part of Protein,,,,,[Ni+2],
,,,JUQ:J:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:A:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:H:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:K:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:D:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:C:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:E:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:G:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:I:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:F:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:B:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,JUQ:L:201,valid,ic50,=,2.4,nM,COc1c(cnc(n1)C(=O)[C@H]2C[C@@H]2C(=O)O)N(CC3CC3)c4cccc5c4cccc5,
,,,PLM:D:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:L:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:208,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:202,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:L:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:F:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:G:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:J:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:J:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:G:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:F:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:I:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:J:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:H:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:F:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:I:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:L:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:J:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:G:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:L:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:F:202,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:205,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:J:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:H:202,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,LMT:B:209,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,2UUH,,,,,,,
,,,GSH:A:1150,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LMU:A:1149,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,NI:A:1147,Part of Protein,,,,,[Ni+2],
,,,NI:A:1148,Part of Protein,,,,,[Ni+2],
,,,PAM:A:1151,invalid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PLM:A:1152,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1153,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1154,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1156,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1157,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:1155,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LEO,,,,,,,
,,,GOL:A:214,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:212,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LMT:A:213,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,NI:A:210,Part of Protein,,,,,[Ni+2],
,,,NI:A:211,Part of Protein,,,,,[Ni+2],
,,,PAM:A:201,invalid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PAM:A:215,invalid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PLM:A:202,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:203,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:204,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:208,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JRZ,,,,,,,
,,,PLM:A:210,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:208,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:206,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:209,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:207,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,NI:A:203,invalid,,,,,[Ni+2],
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,,,GTX:A:211,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PAM:A:205,invalid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
2.7.10.1,,,,,,,,,
,Family. Representative Entry is ,6LVK,,,,,,,
,,,EVC:B:801,valid,ic50,=,4.2,nM,CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C,
,,,EVC:A:801,valid,ic50,=,4.2,nM,CCNS(=O)(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(c(c3)OCCN4CCOCC4)N5CCN(CC5)C,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UGX,,,,,,,
,,,ACP:A:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:803,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,3B2T,,,,,,,
,,,M33:A:1996,valid,,,,,C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,M33:B:1996,valid,,,,,C[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OEC,,,,,,,
,,,AA2:A:789,valid,,,,,CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N,
,,,SO4:A:781,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:782,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J96,,,,,,,
,,,MG:B:805,invalid,,,,,[Mg+2],
,,,FLC:B:804,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:802,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACP:B:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,2PZP,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J98,,,,,,,
,,,ACP:B:804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PVY,,,,,,,
,,,ACP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:8002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PY3,,,,,,,
,,,ACP:A:805,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:805,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:804,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PZ5,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PWL,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UGL,,,,,,,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5UI0,,,,,,,
,,,FLC:B:801,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:801,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACP:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,3CLY,,,,,,,
,,,ACP:A:1803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:1801,Part of Protein,,,,,[Mg+2],
,,,MG:A:1802,Part of Protein,,,,,[Mg+2],
,,3RI1,,,,,,,
,,,3RH:A:2,valid,Kd,=,5,uM,c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N,
,,,3RH:B:1,valid,Kd,=,5,uM,c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N,
,,,SO4:A:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5NKB,,,,,,,
,,,8ZT:A:1001,valid,Kd,=,0.759,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)N4CCOCC4)N5CCOCC5)Cl,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,5NK3,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,92Q:A:1001,valid,Kd,=,38.02,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@H]4CCNC4)Cl,
,,5IA3,,,,,,,
,,,P17:A:1001,valid,Kd,=,46,nM,CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl,
,,5I9V,,,,,,,
,,,AGS:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,5NK8,,,,,,,
,,,90Z:A:1001,valid,Kd,=,0.229,uM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CC(N(C(C4)(C)C)O)(C)C)Cl,
,,5I9Z,,,,,,,
,,,627:A:1001,valid,Kd,=,9,nM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,5IA5,,,,,,,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,GV0:A:1001,valid,Kd,=,25,nM,CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F,
,,5I9W,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,5NK4,,,,,,,
,,,90E:A:1001,valid,Kd,=,1.995,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNCC4(F)F)Cl,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,5IA2,,,,,,,
,,,L66:A:1001,valid,Kd,=,19,nM,Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,5NKA,,,,,,,
,,,91H:A:1001,valid,Kd,=,3.47,uM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)C(=O)O)Cl,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,5NKI,,,,,,,
,,,8ZW:A:1001,valid,Kd,=,18.62,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)Cl,
,,5NK6,,,,,,,
,,,90W:A:1001,valid,Kd,=,0.158,uM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCC(CC4)O)Cl,
,,5I9X,,,,,,,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,DB8:A:1001,valid,Kd,=,30,nM,CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC,
,,6FNG,,,,,,,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,DWT:A:1001,valid,Kd,=,73,nM,Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,5NKH,,,,,,,
,,,8ZQ:A:1001,valid,Kd,=,25.7,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(=O)NC4CCNCC4)c5ccccc5N)Cl,
,,5IA1,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,ZZL:A:1001,valid,Kd,=,530,nM,c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F,
,,5NK2,,,,,,,
,,,8ZZ:A:1001,valid,Kd,=,0.182,uM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,5IA0,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:C:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1005,invalid,,,,,C(CO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1010,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:C:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:C:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,A5B:B:1001,valid,Kd,=,187,nM,COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F,
,,,A5B:C:1001,valid,Kd,=,187,nM,COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F,
,,,A5B:A:1001,valid,Kd,=,187,nM,COc1cccc(c1C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(c(c5)OC)C(=O)O)F,
,,5I9Y,,,,,,,
,,,1N1:A:1001,valid,Kd,=,2.8,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,5NK9,,,,,,,
,,,912:A:1001,valid,Kd,=,0.724,uM,Cc1cccc(c1NC(=O)C2CN/C(=N/c3cccc(c3)C(=O)NC4CCC(CC4)(C)O)/S2)Cl,
,,1MQB,,,,,,,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5NK5,,,,,,,
,,,90K:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4cccc(c4)N)Cl,
,,5NKG,,,,,,,
,,,8ZK:A:1001,valid,Kd,=,20.89,nM,CCc1cc(cc(c1)Nc2ncc(s2)C(=O)Nc3c(cccc3Cl)C)C(=O)NC4CCNCC4,
,,5NJZ,,,,,,,
,,,8ZH:A:1001,valid,Kd,=,16.6,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NC4CCNCC4)Cl,
,,6FNH,,,,,,,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:C:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,DXK:C:1001,valid,,,,,Cn1c2c(cn1)c(nc(n2)c3cccnc3)N,
,,,DXK:A:1001,valid,,,,,Cn1c2c(cn1)c(nc(n2)c3cccnc3)N,
,,,DXK:B:1001,valid,,,,,Cn1c2c(cn1)c(nc(n2)c3cccnc3)N,
,,5NKF,,,,,,,
,,,8ZN:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)C(F)(F)F)C(=O)NC4CCNCC4)Cl,
,,5NK0,,,,,,,
,,,91E:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)NCC(C)(C)CN)Cl,
,,5NKE,,,,,,,
,,,90B:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(cc(c3)Br)C(=O)NC4CCNCC4)Cl,
,,5NK7,,,,,,,
,,,8ZZ:A:1001,valid,Kd,=,0.468,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N[C@@H]4CCNC[C@H]4F)Cl,
,,5NK1,,,,,,,
,,,90N:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)Nc4nc(nc(n4)N)C)Cl,
,,5NKD,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,91K:A:1001,valid,Kd,=,26.3,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)CC(=O)O)Cl,
,,6FNF,,,,,,,
,,,DXH:A:1001,valid,Kd,=,13,nM,Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,5NKC,,,,,,,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,90T:A:1001,valid,Kd,=,18.62,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cccc(c3)C(=O)N4CC[C@@H](C4)C(=O)O)Cl,
,,5IA4,,,,,,,
,,,88Z:A:1001,valid,Kd,=,52,nM,COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3PP0,,,,,,,
,,,03Q:A:1,valid,ic50,=,11,nM,c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F,
,,,03Q:B:2,valid,ic50,=,11,nM,c1cc(cc(c1)Oc2c(cc(cn2)Nc3c4c(ccn4CCOCCO)ncn3)Cl)C(F)(F)F,
,Family. Representative Entry is ,5UR1,,,,,,,
,,,YY9:B:801,valid,ic50,=,1.06,nM,CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl,
,,,YY9:A:801,valid,ic50,=,1.06,nM,CN(C)C/C=C/C(=O)N1CCC(CC1)N2c3c(cnc(n3)Nc4ccccc4)CN(C2=O)c5c(c(cc(c5Cl)OC)OC)Cl,
,,4ZSA,,,,,,,
,,,4UT:A:801,valid,ic50,=,15,nM,CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC,
,,,4UT:B:801,valid,ic50,=,15,nM,CCN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4ccc(cc4n[nH]3)c5cccc(c5)OC,
,,5Z0S,,,,,,,
,,,960:A:801,valid,,,,,Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2,
,,,960:B:801,valid,,,,,Cn1cc(cn1)c2cc3c(cnn3S(=O)(=O)c4cnc5n4nc(cc5)Cl)nc2,
,,6ITJ,,,,,,,
,,,AXU:B:801,valid,ic50,=,10.8,nM,Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C,
,,,AXU:A:801,valid,ic50,=,10.8,nM,Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccccc5)C(=O)NN=C4N)C,
,,5B7V,,,,,,,
,,,LWJ:A:801,valid,ic50,=,9.3,nM,Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N,
,,,LWJ:B:801,valid,ic50,=,9.3,nM,Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5ccccc5[nH]4)N,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3JS2,,,,,,,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,VM1:A:801,valid,,,,,c1cc(sc1)c2cc(cnc2)C(=O)O,
,,,VM1:B:801,valid,,,,,c1cc(sc1)c2cc(cnc2)C(=O)O,
,,5A4C,,,,,,,
,,,EDO:A:1773,invalid,,,,,C(CO)O,
,,,EDO:B:1769,invalid,,,,,C(CO)O,
,,,EDO:B:1770,invalid,,,,,C(CO)O,
,,,EDO:B:1768,invalid,,,,,C(CO)O,
,,,EDO:B:1771,invalid,,,,,C(CO)O,
,,,EDO:A:1772,invalid,,,,,C(CO)O,
,,,EDO:A:1770,invalid,,,,,C(CO)O,
,,,EDO:B:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1771,invalid,,,,,C(CO)O,
,,,EDO:A:1776,invalid,,,,,C(CO)O,
,,,SO4:A:1768,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1766,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1775,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1767,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1769,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1766,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XOJ:A:1774,valid,Kd,=,5.7,nM,CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC,
,,,XOJ:B:1772,valid,Kd,=,5.7,nM,CCN(CC)CCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC,
,,5O4A,,,,,,,
,,,9K8:A:804,valid,,,,,CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,9K8:B:802,valid,,,,,CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AM7,,,,,,,
,,,38O:A:1000,valid,Kd,=,64.5,nM,CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N,
,,,38O:B:1000,valid,Kd,=,64.5,nM,CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N,
,,,CL:B:1763,invalid,,,,,[Cl-],
,,,CL:A:1766,invalid,,,,,[Cl-],
,,,CL:A:1765,invalid,,,,,[Cl-],
,,1FGI,,,,,,,
,,,SU1:A:1001,valid,,,,,Cc1c[nH]c(c1CCC(=O)O)C=C/2c3ccccc3NC2=O,
,,,SU1:B:1000,valid,,,,,Cc1c[nH]c(c1CCC(=O)O)C=C/2c3ccccc3NC2=O,
,,4V04,,,,,,,
,,,0LI:B:1771,valid,Kd,=,7.7,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:A:1772,valid,Kd,=,7.7,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,SO4:A:1773,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1776,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1774,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1772,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1775,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1771,invalid,,,,,C(CO)O,
,,,EDO:A:1769,invalid,,,,,C(CO)O,
,,,EDO:B:1769,invalid,,,,,C(CO)O,
,,,EDO:B:1770,invalid,,,,,C(CO)O,
,,,EDO:B:1766,invalid,,,,,C(CO)O,
,,,EDO:A:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1770,invalid,,,,,C(CO)O,
,,,EDO:B:1768,invalid,,,,,C(CO)O,
,,,EDO:B:1767,invalid,,,,,C(CO)O,
,,,EDO:A:1768,invalid,,,,,C(CO)O,
,,,EDO:A:1766,invalid,,,,,C(CO)O,
,,4RWL,,,,,,,
,,,3ZC:B:801,valid,Kd,=,8,nM,CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC,
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NKS,,,,,,,
,,,2M2:B:801,valid,Kd,=,69.1,nM,Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4,
,,,2M2:A:801,valid,Kd,=,69.1,nM,Cc1cc(on1)CNc2nccc(n2)Nc3cc([nH]n3)CCc4ccccc4,
,,4F64,,,,,,,
,,,0S8:A:801,valid,ic50,=,63,nM,Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br,
,,,0S8:B:801,valid,ic50,=,63,nM,Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCCOC)Br,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5EW8,,,,,,,
,,,5SF:B:802,valid,,,,,CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC,
,,,5SF:A:803,valid,,,,,CC(C)NCCN(c1ccc2c(c1)nc(cn2)c3cnn(c3)C)c4cc(cc(c4)OC)OC,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4RWJ,,,,,,,
,,,66T:B:801,valid,Kd,=,2,nM,C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC,
,,,66T:A:801,valid,Kd,=,2,nM,C[C@@H]1CN(C[C@@H](N1)C)c2ccc(cc2)C(=O)Nc3cc(n[nH]3)CCc4cc(cc(c4)OC)OC,
,,3RHX,,,,,,,
,,,3RH:A:2,valid,ic50,=,0.84,uM,c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N,
,,,3RH:B:1,valid,ic50,=,0.84,uM,c1ccc(cc1)[C@@H]2Cc3cnc(nc3-c4c2cccc4)N,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:766,invalid,,,,,C(CO)O,
,,,EDO:A:767,invalid,,,,,C(CO)O,
,,,EDO:A:768,invalid,,,,,C(CO)O,
,,,EDO:B:767,invalid,,,,,C(CO)O,
,,,SO4:B:766,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NKA,,,,,,,
,,,2K7:A:805,valid,Kd,=,447,nM,Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC,
,,,2K7:B:803,valid,Kd,=,447,nM,Cc1cc(on1)CNc2nccc(n2)Nc3cc(n[nH]3)CCc4ccc(c(c4)OC)OC,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FGI,,,,,,,
,,,PD1:A:1001,valid,Ki,=,36.4,nM,CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC,
,,,PD1:B:1000,valid,Ki,=,36.4,nM,CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)(C)C)c3cc(cc(c3)OC)OC,
,,3C4F,,,,,,,
,,,C4F:A:1,valid,ic50,=,1.9,uM,COc1cccc(c1)Cc2c[nH]c3c2cccn3,
,,,C4F:B:2,valid,ic50,=,1.9,uM,COc1cccc(c1)Cc2c[nH]c3c2cccn3,
,,6MZQ,,,,,,,
,,,TZ0:A:801,valid,ic50,=,3.9,nM,COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N,
,,,TZ0:B:801,valid,ic50,=,3.9,nM,COc1cc(cc(c1)OC)C#Cc2c3c(ncnc3n(n2)[C@H]4CCN(C4)C(=O)C=C)N,
,,1AGW,,,,,,,
,,,SU2:A:1001,valid,,,,,c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O,
,,,SU2:B:1000,valid,,,,,c1ccc2c(c1)C(C(=O)N2)Cc3ccc(cc3)N4CCN(CC4)C=O,
,,4F65,,,,,,,
,,,0S9:A:808,valid,ic50,=,2.5,nM,Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br,
,,,0S9:B:808,valid,ic50,=,2.5,nM,Cc1cc(on1)CNc2ncc(c(n2)Nc3cc(n[nH]3)CCc4ccccc4)Br,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:B:804,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,,,EDO:B:806,invalid,,,,,C(CO)O,
,,,EDO:B:807,invalid,,,,,C(CO)O,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5AM6,,,,,,,
,,,CL:A:1767,invalid,,,,,[Cl-],
,,,CL:A:1765,invalid,,,,,[Cl-],
,,,CL:A:1768,invalid,,,,,[Cl-],
,,,38O:B:1763,valid,Kd,=,185,nM,CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N,
,,,38O:A:1766,valid,Kd,=,185,nM,CN1CCN(CC1)c2ccc3c(c2)nc([nH]3)C4=C(c5c(cccc5F)NC4=O)N,
,Family. Representative Entry is ,4AG8,,,,,,,
,,,AXI:A:2000,valid,Ki,=,1.1,nM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,2OH4,,,,,,,
,,,GIG:A:303,valid,ic50,=,3.5,nM,COC(=O)Nc1[nH]c2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)C(F)(F)F,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6XVJ,,,,,,,
,,,O35:A:1201,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)CN(C)C,
,,3CP9,,,,,,,
,,,C19:A:501,valid,,,,,CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N,
,,,C19:B:502,valid,,,,,CC1=C(C(=O)N(C=C1)c2ccc3c(c2)NCC3(C)C)c4ccc5c(c4)cnc(n5)N,
,,6GQO,,,,,,,
,,,F82:A:1201,valid,,,,,CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC,
,,3BE2,,,,,,,
,,,RAJ:A:501,valid,ic50,=,2,nM,Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C,
,,2P2H,,,,,,,
,,,994:A:501,valid,ic50,=,68,nM,COc1cc(cc(c1OC)OC)Nc2ncnc(n2)c3cccnc3Nc4ccccc4,
,,3CPC,,,,,,,
,,,C52:A:1,valid,,,,,CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N,
,,,C52:B:2,valid,,,,,CC1=C(C(=O)N(C=C1)c2cccc(c2)C(F)(F)F)c3ccc4c(c3)cnc(n4)N,
,,6GQQ,,,,,,,
,,,F8B:A:1201,valid,,,,,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,,3CJG,,,,,,,
,,,KIM:A:1167,valid,,,,,Cc1c2ccc(cc2[nH]n1)N(C)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VO3,,,,,,,
,,,0KF:A:2001,valid,ic50,=,1.4,nM,Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,3VNT,,,,,,,
,,,0JA:A:2001,valid,ic50,=,2.2,nM,c1cc(c(c(c1)C2(CC2)C#N)Cl)C(=O)Nc3cc(ccc3F)Oc4ccc5c(n4)sc(n5)NC(=O)C6CC6,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,3WZE,,,,,,,
,,,ACT:A:1202,invalid,,,,,CC(=O)[O-],
,,,DTT:A:1203,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,BAX:A:1201,valid,Kd,=,33,nM,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl,
,,1YWN,,,,,,,
,,,LIF:A:301,valid,ic50,~,0.003,uM,COc1ccc(cc1)c2c(c3c(ncnc3o2)N)c4ccc(cc4)NC(=O)Nc5cc(ccc5F)C(F)(F)F,
,,3WZD,,,,,,,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:A:1208,invalid,,,,,C(CO)O,
,,,EDO:A:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1209,invalid,,,,,C(CO)O,
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LEV:A:1201,valid,Kd,=,2.1,nM,COc1cc2c(cc1C(=O)N)c(ccn2)Oc3ccc(c(c3)Cl)NC(=O)NC4CC4,
,,,DTT:A:1204,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1203,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1202,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1205,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:1210,invalid,,,,,C(C(CO)O)O,
,,5EW3,,,,,,,
,,,5T2:B:1201,valid,ic50,=,0.0012,uM,c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3,
,,,5T2:A:1201,valid,ic50,=,0.0012,uM,c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3,
,,6XVK,,,,,,,
,,,O3E:A:1201,valid,ic50,=,0.538,uM,CC#CC1=Nc2ccc(cc2C(O1)(C)C)NC(=O)Cc3c(cc(cn3)Oc4ccnc5c4ccc(c5)OC)OC,
,,3CJF,,,,,,,
,,,SAV:A:1167,valid,ic50,=,6.3,nM,Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QU6,,,,,,,
,,,857:A:501,valid,Ki,=,3,nM,CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl,
,,,857:B:502,valid,Ki,=,3,nM,CNC(=O)c1cc(ccn1)Oc2ccc3c(c2)nc(o3)Nc4ccc(c(c4)OC[C@@H]5CCC[N@]5C)Cl,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3U6J,,,,,,,
,,,03X:A:1,valid,,,,,CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC,
,,3EWH,,,,,,,
,,,EDO:A:2762,invalid,,,,,C(CO)O,
,,,K11:A:1,valid,ic50,=,69,nM,CNc1nccc(n1)c2cccnc2Oc3ccc(c4c3cccc4)Nc5[nH]c6cc(ccc6n5)C(F)(F)F,
,,2P2I,,,,,,,
,,,608:A:501,valid,ic50,=,38,nM,c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4,
,,,608:B:502,valid,ic50,=,38,nM,c1ccc(cc1)Oc2ccc(cc2)NC(=O)c3cccnc3NCc4ccncc4,
,,3C7Q,,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XIN:A:1172,valid,ic50,=,21,nM,CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5,
,,6GQP,,,,,,,
,,,F88:A:1201,valid,,,,,CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,Family. Representative Entry is ,6NSP,,,,,,,
,,,L0P:A:801,valid,ic50,=,44.1,pM,Cc1cccn2c1nc(c2NC(=O)CN3c4ccccc4SCC3=O)c5ccccc5,
,,6DKI,,,,,,,
,,,GOD:A:802,valid,,,,,CNC(=O)c1cc(c(nc1)N)O[C@H]2CN(CC2(F)F)C(=O)Cc3ccc(cc3)OC(F)(F)F,
,,,22L:A:801,invalid,,,,,c1ccc(cc1)c2csc3c2C(=O)NC=N3,
,,5JFV,,,,,,,
,,,6K1:A:4000,valid,ic50,=,6,nM,CC(C)n1cc(c2c1ncnc2N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)Cl,
,,5KMJ,,,,,,,
,,,6UF:A:901,valid,,,,,c1ccc2c(c1)cc(n2CC(=O)NCc3ccccn3)c4cccs4,
,,6D1Z,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,FQD:A:801,invalid,,,,,c1cc(ccc1c2csc3c2C(=O)NC=N3)F,
,,,FQM:A:803,valid,,,,,c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N,
,,6D20,,,,,,,
,,,FQD:A:801,invalid,,,,,c1cc(ccc1c2csc3c2C(=O)NC=N3)F,
,,,FQG:A:802,valid,,,,,CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3cc(c(cc3Cl)Cl)c4ccccn4)O,
,,4YNE,,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:807,invalid,,,,,C(C(CO)O)O,
,,,4EK:A:801,valid,,,,,c1ccnc(c1)c2cnc3n2nc(cc3)N4CCC[C@@H]4c5cccc(c5)F,
,,5KMK,,,,,,,
,,,6UG:A:901,valid,,,,,Cc1ccc(c(n1)c2ccc(cc2)F)NC(=O)c3ccc(cc3F)C(F)(F)F,
,,4PMM,,,,,,,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,31V:A:801,valid,Kd,=,27,nM,Cc1cn(cn1)c2ccc(cc2OC)c3cn(nn3)CC(=O)Nc4cc(nn4c5ccccc5)C6CC6,
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,6NSS,,,,,,,
,,,L0M:A:801,valid,ic50,=,1.4,nM,Cc1c2nc(c(n2ccn1)NC(=O)CN3c4ccccc4Oc5c3cccc5)c6ccccc6,
,,4PMP,,,,,,,
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,31W:A:801,valid,Kd,~,400,nM,c1cc(cc(c1)c2nccs2)CN(C3CC3)C(=O)Nc4ccc(cc4)OC(F)(F)F,
,,,CL:A:802,invalid,,,,,[Cl-],
,,5H3Q,,,,,,,
,,,NA:A:1004,Part of Protein,,,,,[Na+],
,,,DTT:A:1003,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1002,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,7HF:A:1001,valid,ic50,=,6,nM,CCOc1c(c(n(n1)c2ccccc2)NC(=O)N[C@@H]3CN(C[C@H]3c4ccc(c(c4)F)F)CCOC)C,
,,6D1Y,,,,,,,
,,,FQJ:A:801,valid,,,,,Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl,
,,5KMI,,,,,,,
,,,6UE:A:901,valid,,,,,Cc1ncc(c(n1)c2ccccc2)NC(=O)NC3c4ccccc4-c5c3cccc5,
,,6PL1,,,,,,,
,,,OOJ:A:801,valid,Kd,=,0.000000064,M,CC1=CN2C(=NC(=CC2=O)CSc3nnc(s3)NC(=O)Nc4cccc(c4)C(F)(F)F)C=C1,
,,5KML,,,,,,,
,,,SER SER LEU SER PRO THR:A:475,invalid,,,,,,
,,,6UH:A:901,valid,,,,,Cc1c(c(no1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F,
,,4PMT,,,,,,,
,,,31Y:A:801,valid,ic50,=,997,nM,c1cc(cnc1)CNc2ccc3c(n2)c(ncn3)Nc4ccc(cc4)N5CCOCC5,
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,5KMM,,,,,,,
,,,6UJ:A:901,valid,,,,,Cc1ncc(c(n1)c2ccccc2)NC(=O)Nc3cccc4c3cccc4,
,,4YPS,,,,,,,
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4F6:A:801,valid,,,,,c1cc(cc(c1)F)[C@@H]2COCCN2c3ccc4ncc(n4n3)c5ccc(cc5)C#N,
,,6J5L,,,,,,,
,,,B9C:A:801,valid,ic50,=,1.6,nM,CS(=O)(=O)Nc1ccccc1CNc2ccc3c(c2)c(n[nH]3)c4ccc(nc4)N5CCNCC5,
,,5JFW,,,,,,,
,,,6K2:A:4000,valid,ic50,=,62,nM,CC(C)n1cc(c2c1ncnc2)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cc4)C#N,
,,5JFX,,,,,,,
,,,6K4:A:4000,valid,ic50,=,6,nM,CC(C)(CO)n1cc(c2c1nc(nc2)N)C(=O)c3cc(cnc3)NC(=O)Cc4ccc(cn4)Cl,
,,5KMN,,,,,,,
,,,SER SER LEU SER PRO THR:A:475,invalid,,,,,,
,,,6UK:A:901,valid,,,,,Cc1ncc(c(n1)c2ccccc2)NC(=O)NCc3ccccc3C(F)(F)F,
,,5JFS,,,,,,,
,,,6K0:A:4000,valid,ic50,=,2,nM,CC(C)n1cc(c2c1ncnc2N)C(=O)c3ccnc(c3)NC(=O)Nc4ccc(cc4F)F,
,,6NPT,,,,,,,
,,,KWY:A:801,valid,ic50,=,68.3,pM,CC(C)(C)c1ccc(cc1)C(=O)Nc2cc(nn2c3ccccc3)c4ccccc4,
,Family. Representative Entry is ,5EOB,,,,,,,
,,,5QQ:A:1401,valid,ic50,=,0.24,nM,c1cc2cc(ccc2nc1)C(c3nnc4n3nc(cn4)c5ccc(cc5)F)(F)F,
,,2WGJ,,,,,,,
,,,VGH:A:2346,valid,Ki,=,0.002,uM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,4DEH,,,,,,,
,,,0JK:A:1401,valid,ic50,=,612,nM,c1ccc(cc1)N2CCc3c(n(nn3)Cc4ccc5c(c4)cccn5)C2=O,
,,4IWD,,,,,,,
,,,1JC:A:1401,valid,ic50,=,1,nM,c1ccnc(c1)CNS(=O)(=O)Cc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6,
,,3F82,,,,,,,
,,,353:A:2001,valid,Ki,=,4.6,nM,CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N,
,,5YA5,,,,,,,
,,,6TD:A:1401,valid,ic50,=,0.19,uM,COc1ccc(cc1)Cc2nnc3n2nc(s3)c4cc5ccccc5[nH]4,
,,4XYF,,,,,,,
,,,44X:A:1401,valid,,,,,Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)F,
,,2RFS,,,,,,,
,,,AM8:A:1,valid,,,,,Cc1c(c([nH]c1C)CC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)N(C)c4cccc(c4)Cl)C,
,,6UBW,,,,,,,
,,,84S:A:1401,valid,ic50,<,1,nM,Cn1cc(cn1)c2ccc3nnc(n3c2)C(c4ccc5nc(cn5n4)NC(=O)C6CC6)(F)F,
,,,CL:A:1402,invalid,,,,,[Cl-],
,,4R1V,,,,,,,
,,,GBL:A:1404,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:1403,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:1402,invalid,,,,,C1CC(=O)OC1,
,,,3E8:A:1401,valid,ic50,<,1,nM,CN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N,
,,3CTH,,,,,,,
,,,319:A:2001,valid,ic50,=,0.035,uM,c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)F,
,,4AOI,,,,,,,
,,,4K0:A:2345,valid,Ki,=,0.004,uM,c1cc2c(c[nH]c2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)C#N,
,,3DKC,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:3,invalid,,,,,[Cl-],
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,4XMO,,,,,,,
,,,46G:A:1401,valid,ic50,=,2,nM,Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@](C)(c4ccc5c(c4)cc(cn5)OC)F)F,
,,4R1Y,,,,,,,
,,,7PE:A:1402,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:1403,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,3EH:A:1401,valid,ic50,=,400,nM,CCN(CC)CCCOC(=O)Nc1cccc(c1)CN2C(=O)SCC(=N2)c3ccc(c(c3)OC)OC,
,,4GG5,,,,,,,
,,,0J3:A:1401,valid,ic50,=,0.93,nM,CN1CCN(CC1)c2cc3c(cc(cc3NCc4cccc(c4)[N+](=O)[O-])C(F)(F)F)nc2,
,,4AP7,,,,,,,
,,,F47:A:2345,valid,Ki,=,0.011,uM,c1cc(ccc1Cc2nnc3n2nc(cn3)c4ccc(cc4)F)O,
,,6SDD,,,,,,,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,353:A:1401,valid,,,,,CCOC1=C(C(=O)N(C=C1)c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4Cl)N,
,,3Q6W,,,,,,,
,,,Q6W:A:1,valid,Kd,=,27,nM,c1ccnc(c1)CNC(=O)CCc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6,
,,3CD8,,,,,,,
,,,L5G:A:1,valid,ic50,=,9,nM,COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc4)c5ccccc5,
,,4EEV,,,,,,,
,,,L1X:A:1401,valid,ic50,=,4.7,nM,CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C,
,,3RHK,,,,,,,
,,,M97:A:1,valid,ic50,=,520,nM,c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6,
,,,M97:B:1,valid,ic50,=,520,nM,c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)C4=C[n+]5cccc6c5c4ccc6,
,,4GG7,,,,,,,
,,,0J8:A:1401,valid,ic50,=,6.5,nM,c1cc(cc(c1)[N+](=O)[O-])CNc2c3cc(cnc3nc(n2)C(F)(F)F)c4cnn(c4)C5CCNCC5,
,,3ZZE,,,,,,,
,,,6XP:A:2345,valid,Ki,=,0.0013,uM,Cc1ccc(c2c1NC(=O)C2NNC(=O)[C@@H](C)c3ccc(cc3)O)Cl,
,,3U6I,,,,,,,
,,,044:A:1,valid,,,,,CC1=C(C(=O)N(N1C[C@@H](C)O)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4ccc(c5)OC,
,,4DEI,,,,,,,
,,,0JL:A:1401,valid,ic50,=,1,nM,Cc1cc(sn1)N2C=Cc3c(n(nn3)[C@@H](C)c4ccc5c(c4)cc(cn5)OCCOC)C2=O,
,,2WD1,,,,,,,
,,,GBL:A:2348,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:2349,invalid,,,,,C1CC(=O)OC1,
,,,ZZY:A:2347,valid,ic50,=,82,nM,c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c2cc(cn3)C(=O)N,
,,3CE3,,,,,,,
,,,1FN:A:1401,valid,ic50,=,1.8,nM,c1cc(ccc1N2C=CC=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc[nH]5)F,
,,3LQ8,,,,,,,
,,,88Z:A:1,valid,ic50,=,0.4,nM,COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F,
,,3EFK,,,,,,,
,,,MT4:A:1,valid,Ki,=,14,nM,CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC,
,,,MT4:B:2,valid,Ki,=,14,nM,CN1C(=O)C(=CN=C1Nc2ccc(cc2)F)c3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC,
,,3ZCL,,,,,,,
,,,5TF:A:1,valid,Ki,=,0.0101,uM,C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C,
,,5UAB,,,,,,,
,,,84M:A:1401,valid,,,,,c1ccn2c(c1)nnc2Sc3ccc4nc(cn4n3)NC(=O)C5CC5,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1403,invalid,,,,,[Cl-],
,,5UAD,,,,,,,
,,,84P:A:1401,valid,,,,,Cn1cc(cn1)c2ccc3c(c2)n(nn3)Cc4ccc5nc(cn5n4)NC(=O)C6CC6,
,,,CL:A:1402,invalid,,,,,[Cl-],
,,3ZC5,,,,,,,
,,,W9Z:A:2345,valid,Ki,=,0.0103,uM,C[C@@H](c1ccc2c(c1)cccn2)c3nnc4n3nc(cc4)c5cnn(c5)C,
,,3U6H,,,,,,,
,,,03X:A:1,valid,Ki,=,1,nM,CC1=C(C(=O)N(N1C)c2ccccc2)C(=O)Nc3ccc(c(c3)F)Oc4ccnc5c4cc(c(c5)OC)OC,
,,3ZBX,,,,,,,
,,,6XE:A:2345,valid,Ki,=,0.006,uM,c1cc2cc(ccc2nc1)Cc3nnc4n3nc(cn4)c5ccc(cc5)F,
,,1R0P,,,,,,,
,,,KSA:A:0,valid,Kd,=,10,nM,C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O,
,,6SDE,,,,,,,
,,,V0L:A:1401,valid,,,,,C[C@@H](c1ccc2nccn2c1)n3c4c(ncc(n4)c5cnn(c5)C)nn3,
,,5HOR,,,,,,,
,,,63K:A:1401,valid,ic50,=,6,nM,c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F,
,,5HO6,,,,,,,
,,,63K:A:1401,valid,ic50,=,204,nM,c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F,
,,3VW8,,,,,,,
,,,DF6:A:1401,valid,,,,,COc1cc2c(ccnc2cc1OC)Oc3ccc(cc3)NC(=S)NC(=O)Cc4ccccc4,
,,,CL:A:1402,invalid,,,,,[Cl-],
,,3L8V,,,,,,,
,,,L8V:A:1,valid,ic50,=,0.008,uM,c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3ccnc(c3)N)C(=O)Nc4ccc(cc4F)F,
,,5EYD,,,,,,,
,,,5T1:A:1401,valid,ic50,=,1,nM,C[C@H](c1nnc2n1cc(cc2F)c3cnn(c3)C)N4C=Cc5c(cc(cn5)OCCOC)C4=O,
,,4DEG,,,,,,,
,,,0JJ:A:1401,valid,ic50,=,6,nM,Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC,
,,5HLW,,,,,,,
,,,62E:A:1402,valid,ic50,=,23,nM,CCN1CCC(CC1)CCNC(=O)Nc2nc3ccc(cc3s2)Sc4nnc5n4nc(cc5)c6cccs6,
,,,CL:A:1401,invalid,,,,,[Cl-],
,,5HNI,,,,,,,
,,,63B:X:1401,valid,ic50,=,10,nM,COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F,
,,,63B:Y:1401,valid,ic50,=,10,nM,COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3nnc4n3nc(cc4)c5ccc(cc5)F,
,,3R7O,,,,,,,
,,,M61:A:1,valid,,,,,CN(C[C@@H]1COCCO1)S(=O)(=O)Nc2ccc3c(c2)C(=O)c4cc(cnc4C=C3)c5cnn(c5)C6CCNCC6,
,,3DKG,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,SX8:A:1,valid,,,,,Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5,
,,5HOA,,,,,,,
,,,63K:A:1401,valid,ic50,=,64,nM,c1cc(ccc1c2ccc3nnc(n3n2)Sc4ccc5c(c4)sc(n5)NC(=O)NCCN6CCOCC6)F,
,,3ZXZ,,,,,,,
,,,KRW:A:2345,valid,Ki,=,0.004,uM,c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)CCO)nn3,
,,3DKF,,,,,,,
,,,CL:A:2,invalid,,,,,[Cl-],
,,,SX8:A:1,valid,Ki,=,2.7,nM,Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5,
,,6SDC,,,,,,,
,,,88Z:A:1401,valid,,,,,COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F,
,,5EYC,,,,,,,
,,,5SZ:A:1401,valid,ic50,=,3,nM,Cc1cc(on1)c2cc(c3nnc(n3c2)[C@@H](C)N4C=Cc5c(cccn5)C4=O)F,
,,3CTJ,,,,,,,
,,,320:A:2001,valid,ic50,=,0.11,uM,c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc[nH]4)F,
,,2RFN,,,,,,,
,,,AM7:A:1,valid,ic50,=,5,nM,CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6,
,,,AM7:B:1,valid,ic50,=,5,nM,CN1C(=NC=C(C1=O)c2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OCCCN5CCOCC5)OC)Cc6ccccc6,
,,3QTI,,,,,,,
,,,3QT:A:1,valid,ic50,=,14,nM,Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5,
,,,3QT:B:1,valid,ic50,=,14,nM,Cn1cc(cn1)c2ccc3ncc(n3n2)Cc4ccc5c(c4)cccn5,
,,,CL:A:1361,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,GOL:B:3,invalid,,,,,C(C(CO)O)O,
,,3CCN,,,,,,,
,,,LKG:A:1,valid,ic50,=,120,nM,c1ccc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O,
,,3F66,,,,,,,
,,,GBL:A:3,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:4,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:5,invalid,,,,,C1CC(=O)OC1,
,,,GBL:B:1,invalid,,,,,C1CC(=O)OC1,
,,,GBL:B:1350,invalid,,,,,C1CC(=O)OC1,
,,,IHX:A:1,valid,ic50,=,0.9,uM,CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F,
,,,IHX:B:2,valid,ic50,=,0.9,uM,CN1CCN(CC1)c2cnc3cc(cc(c3n2)c4cccc(c4)O)C(F)(F)F,
,,,NA:B:6,Part of Protein,,,,,[Na+],
,,2WKM,,,,,,,
,,,PFY:A:2345,valid,ic50,=,9,nM,Cc1c([nH]c(c1C(=O)N2CCC[C@H]2CN3CCCC3)C)C=C/4c5cc(ccc5NC4=O)S(=O)(=O)Cc6c(cccc6Cl)Cl,
,,3I5N,,,,,,,
,,,B2D:A:1,valid,ic50,=,17,nM,COc1cc2c(c(ccn2)NCc3nnc4n3nc(cc4)c5ccccc5)nc1,
,,4KNB,,,,,,,
,,,1RU:A:1401,valid,ic50,=,0.047,uM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5,
,,,1RU:D:1401,valid,ic50,=,0.047,uM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5,
,,,1RU:C:1401,valid,ic50,=,0.047,uM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5,
,,,1RU:B:1401,valid,ic50,=,0.047,uM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2c3c(cnc2N)c(co3)c4cnn(c4)C5CCNCC5,
,,,GBL:A:1402,invalid,,,,,C1CC(=O)OC1,
,,,GBL:A:1403,invalid,,,,,C1CC(=O)OC1,
,,,GBL:B:1402,invalid,,,,,C1CC(=O)OC1,
,,6SD9,,,,,,,
,,,CL:A:1401,invalid,,,,,[Cl-],
,,,88Z:A:1402,valid,,,,,COc1cc2c(ccnc2cc1OCCCN3CCOCC3)Oc4ccc(cc4F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F,
,Family. Representative Entry is ,4P5Z,,,,,,,
,,,Q7M:A:1001,valid,Kd,=,39.3,nM,c1ccc2c(c1)nc3c(c(n(c3n2)c4ccc(cc4)NC(=O)Nc5cccc(c5)C(F)(F)F)N)C(=O)N,
,,4GK3,,,,,,,
,,,L87:A:1001,valid,,,,,CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4ccccc4C,
,,3FY2,,,,,,,
,,,LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP:B:-3,valid,,,,,,
,,4TWO,,,,,,,
,,,37W:A:1001,valid,ic50,=,8000,nM,Cc1ccc(cc1C)c2c(sc(c2C(=O)N)NC(=O)CCCC(=O)O)C,
,,4P4C,,,,,,,
,,,25Q:A:1001,valid,,,,,COc1cccc(c1)n2c(c(c3c2nc4ccccc4n3)C(=O)N)N,
,,4GK2,,,,,,,
,,,L66:A:1001,valid,,,,,Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=O)NC4=O)C)O,
,,4TWN,,,,,,,
,,,B96:A:1001,valid,,,,,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(c4c3cccc4)OCCN5CCOCC5,
,,2QOQ,,,,,,,
,,,ANP:A:948,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,4GK4,,,,,,,
,,,L90:A:1001,valid,,,,,CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc5c4cn[nH]5)C,
,,3FXX,,,,,,,
,,,LYS GLN TRP ASP ASN TYR GLU PTR ILE TRP:B:-4,valid,,,,,,
,,,ANP:A:992,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:991,invalid,,,,,[Mg+2],
,,2QO7,,,,,,,
,,,BME:A:948,invalid,,,,,C(CS)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,4P5Q,,,,,,,
,,,Q0B:A:1001,valid,,,,,CCOCCCNC(=O)c1c2c(nc3ccccc3n2)n(c1N)c4ccccc4Cl,
,,2QOC,,,,,,,
,,,ANP:A:949,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BME:A:948,invalid,,,,,C(CS)O,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,2QO9,,,,,,,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,,ANP:A:948,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6LUB,,,,,,,
,,,EUX:A:1101,valid,ic50,=,0.28,nM,CC(C)n1c2cc(cc(c2c3c1cc(nc3)Nc4ccnc(n4)c5cnn(c5)S(=O)(=O)C6CC6)OCC(F)(F)F)N7CCN(CC7)C,
,,6DUK,,,,,,,
,,,MG:F:1101,Part of Protein,,,,,[Mg+2],
,,,MG:E:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:C:1101,Part of Protein,,,,,[Mg+2],
,,,MG:D:1101,Part of Protein,,,,,[Mg+2],
,,,ANP:B:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,JBJ:C:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,,JBJ:F:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,,JBJ:E:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,,JBJ:B:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,,JBJ:A:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,,JBJ:D:1103,valid,,,,,c1cc(ccc1c2ccc3c(c2)C(=O)N(C3)[C@H](c4cc(ccc4O)F)C(=O)Nc5nccs5)N6CCNCC6,
,,3W32,,,,,,,
,,,W32:A:1101,valid,ic50,=,75,nM,CS(=O)(=O)CCNC(=O)C1=Cc2c(ncnc2Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)NCC1,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CAU,,,,,,,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4ZR:A:1102,valid,Ki,=,1.6,nM,C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@H]([C@H](C4)F)OC)O,
,,5D41,,,,,,,
,,,ANP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1101,Part of Protein,,,,,[Mg+2],
,,,MG:B:2000,Part of Protein,,,,,[Mg+2],
,,,57N:A:1103,valid,ic50,=,0.024,uM,c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O,
,,4I22,,,,,,,
,,,SO4:A:9002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IRE:A:9001,valid,,,,,COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2,
,,2ITV,,,,,,,
,,,ANP:A:2020,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3POZ,,,,,,,
,,,03P:A:1023,valid,ic50,=,23,nM,CC(C)(CC(=O)NCCn1ccc2c1c(ncn2)Nc3ccc(c(c3)Cl)Oc4cccc(c4)C(F)(F)F)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6LUD,,,,,,,
,,,YY3:A:1101,valid,,,,,Cn1cc(c2c1cccc2)c3ccnc(n3)Nc4cc(c(cc4OC)N(C)CCN(C)C)NC(=O)C=C,
,,5HCY,,,,,,,
,,,60D:A:1102,valid,Ki,=,1.2,nM,CC(C)n1cc(c2c1cc(nc2)Nc3ccnc(n3)c4cnn(c4)S(=O)(=O)C5CC5)C(=O)NC6CCOCC6,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CAP,,,,,,,
,,,4ZH:A:1103,valid,Ki,=,52,nM,Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)OCC(C)(C)S(=O)(=O)C,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6V5N,,,,,,,
,,,QP7:D:1101,valid,,,,,c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F,
,,,QP7:B:1101,valid,,,,,c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F,
,,,QP7:A:1101,valid,,,,,c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F,
,,,QP7:C:1101,valid,,,,,c1ccc(cc1)c2cc3c(ccnc3[nH]2)c4c(nc([nH]4)CCCO)c5ccc(cc5)F,
,,,CL:B:1102,invalid,,,,,[Cl-],
,,,CL:D:1102,invalid,,,,,[Cl-],
,,,CL:A:1102,invalid,,,,,[Cl-],
,,,CL:C:1102,invalid,,,,,[Cl-],
,,6JRX,,,,,,,
,,,9JO:A:1101,valid,,,,,CCC(=O)NC1CCC(CC1)N2c3c(cnc(n3)Nc4ccc(c(c4)C)N5CCN(CC5)C)CN(C2=O)c6ccccc6Cl,
,,3W33,,,,,,,
,,,W19:A:1101,valid,ic50,=,36,nM,c1cc(c2ccsc2c1)Oc3ccc(cc3Cl)Nc4c5c(ncn4)NCCC(=C5)C(=O)NCCO,
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ITN,,,,,,,
,,,ANP:A:2021,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:2020,invalid,,,,,[Mg+2],
,,4RJ8,,,,,,,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3QS:A:1102,valid,Ki,=,17,nM,COC1CCN(CC1)c2nccc(n2)Nc3cc4c(ccn4C5CCCC5)cn3,
,,6P8Q,,,,,,,
,,,EDO:C:2004,invalid,,,,,C(CO)O,
,,,EDO:D:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2004,invalid,,,,,C(CO)O,
,,,EDO:B:2005,invalid,,,,,C(CO)O,
,,,EDO:C:2007,invalid,,,,,C(CO)O,
,,,EDO:C:2005,invalid,,,,,C(CO)O,
,,,EDO:C:2006,invalid,,,,,C(CO)O,
,,,EDO:D:2005,invalid,,,,,C(CO)O,
,,,EDO:C:2008,invalid,,,,,C(CO)O,
,,,O57:C:2002,valid,,,,,c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F,
,,,O57:D:2002,valid,,,,,c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F,
,,,O57:A:2002,valid,,,,,c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F,
,,,O57:B:2002,valid,,,,,c1ccc(cc1)CN2c3ccccc3Nc4ccc(cc4C2=O)F,
,,,AMP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:2003,invalid,,,,,[Mg+2],
,,,MG:D:2003,invalid,,,,,[Mg+2],
,,,MG:A:2004,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,MG:C:2003,invalid,,,,,[Mg+2],
,,,ANP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5CAS,,,,,,,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4ZQ:A:1102,valid,Ki,=,1.4,nM,C[C@H](c1nc2cnc(cc2n1[C@@H](C)C(F)(F)F)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC)O,
,,7A2A,,,,,,,
,,,57N:A:1101,valid,,,,,c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O,
,,,57N:B:1101,valid,,,,,c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O,
,,,7G9:A:1102,invalid,,,,,CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F,
,,,7G9:B:1102,invalid,,,,,CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)OCCOC)F,
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1105,invalid,,,,,[Cl-],
,,5X2F,,,,,,,
,,,7XU:B:1101,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6,
,,,7XU:C:1101,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6,
,,,7XU:D:1101,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6,
,,,7XU:A:3001,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCCC6,
,,3VJN,,,,,,,
,,,ANP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3UG2,,,,,,,
,,,IRE:A:1,valid,Kd,=,5.6,nM,COc1cc2c(cc1OCCCN3CCOCC3)/C(=N/c4ccc(c(c4)Cl)F)/N=CN2,
,,,MES:A:1023,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5X2C,,,,,,,
,,,EDO:B:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:B:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:B:1107,invalid,,,,,C(CO)O,
,,,EDO:B:1101,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,7XR:B:1108,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6,
,,,7XR:A:1104,valid,,,,,CN1CCN(CC1)c2ccc(cc2)Nc3ncc4c(n3)n(c(n4)Nc5ccccc5)C6CCCC6,
,,,CL:B:1109,invalid,,,,,[Cl-],
,,6Z4D,,,,,,,
,,,8BS:B:1101,invalid,,,,,CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C,
,,,8BS:A:1101,invalid,,,,,CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C,
,,,SO4:B:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,57N:B:1102,valid,,,,,c1ccc(cc1)[C@H](C(=O)Nc2nccs2)N3Cc4ccccc4C3=O,
,,5CNN,,,,,,,
,,,ANP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,5CAQ,,,,,,,
,,,4ZJ:A:1102,valid,Ki,=,2.7,nM,Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@H]([C@@H](C4)F)OC,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2RGP,,,,,,,
,,,HYZ:A:1,valid,ic50,=,0.03,uM,c1cc(cc(c1)F)Cn2c3ccc(cc3cn2)Nc4c(c(ncn4)N)CNN5CCCCC5,
,,,PO4:A:81,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:82,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5UGA,,,,,,,
,,,SO4:A:9002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:9005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:9006,invalid,,,,,C(C(CO)O)O,
,,,8BM:A:9001,valid,Ki,=,161,nM,CC(C)n1cnc2c1nc(nc2Nc3ccc(cc3)N4CCN(CC4)C)N[C@H]5CCN(C5)C(=O)C,
,,5CNO,,,,,,,
,,,ANP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,5C8N,,,,,,,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4YX:A:1102,valid,Ki,=,28,nM,Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC,
,,6Z4B,,,,,,,
,,,Q6K:B:1101,invalid,,,,,CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C,
,,,Q6K:A:1101,invalid,,,,,CCC(=O)Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(n2)c3cn(c4c3cccc4)C,
,,,9LL:A:1102,valid,,,,,c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4,
,,,9LL:B:1102,valid,,,,,c1ccc2c(c1)CN(C2=O)[C@H](c3cc(ccc3O)F)C(=O)Nc4nccs4,
,,,SO4:A:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5X2A,,,,,,,
,,,CL:A:1101,invalid,,,,,[Cl-],
,,,MG:A:1109,Part of Protein,,,,,[Mg+2],
,,,MG:B:1107,invalid,,,,,[Mg+2],
,,,MG:D:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1101,Part of Protein,,,,,[Mg+2],
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:B:1101,invalid,,,,,C(CO)O,
,,,EDO:C:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,EDO:C:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,EDO:C:1103,invalid,,,,,C(CO)O,
,,,7XO:B:1105,valid,,,,,CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5,
,,,7XO:C:1104,valid,,,,,CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5,
,,,7XO:A:1107,valid,,,,,CC(C)n1c2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)nc1Nc5ccccc5,
,,,ANP:B:1106,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1108,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6V5P,,,,,,,
,,,CL:A:1102,invalid,,,,,[Cl-],
,,,CL:B:1102,invalid,,,,,[Cl-],
,,,CL:D:1102,invalid,,,,,[Cl-],
,,,QP4:C:1101,valid,,,,,COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5,
,,,QP4:B:1101,valid,,,,,COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5,
,,,QP4:D:1101,valid,,,,,COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5,
,,,QP4:A:1101,valid,,,,,COCCCc1[nH]c(c(n1)c2ccc(cc2)F)c3ccnc4c3CC(=N4)c5ccccc5,
,,1XKK,,,,,,,
,,,FMM:A:91,valid,Ki,=,3,nM,CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)OCc5cccc(c5)F,
,,,PO4:A:81,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:82,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6VHN,,,,,,,
,,,QQJ:A:1101,valid,,,,,CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC,
,,6P1D,,,,,,,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:C:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1103,Part of Protein,,,,,[Mg+2],
,,,MG:B:1103,Part of Protein,,,,,[Mg+2],
,,,NQ1:C:1101,valid,,,,,c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F,
,,,NQ1:B:1102,valid,,,,,c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F,
,,,NQ1:D:1101,valid,,,,,c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F,
,,,ANP:D:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:1102,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,3BEL,,,,,,,
,,,PO4:A:81,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:82,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POX:A:1,valid,ic50,=,0.014,uM,COCCO/N=C/c1c(ncnc1Nc2ccc3c(c2)cnn3Cc4cccc(c4)F)N,
,Family. Representative Entry is ,5U6C,,,,,,,
,,,7YS:A:9001,valid,Ki,<,0.05,nM,Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C,
,,,7YS:B:9001,valid,Ki,<,0.05,nM,Cc1c-2c(n(n1)CCO)CN(C(=O)c3ccc(c(c3[C@H](Oc4c(ncc2n4)N)C)Cl)F)C,
,,3BRB,,,,,,,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,CL:B:7,invalid,,,,,[Cl-],
,,,CL:B:8,invalid,,,,,[Cl-],
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,MG:A:10,Part of Protein,,,,,[Mg+2],
,,,MG:B:9,Part of Protein,,,,,[Mg+2],
,,7AB2,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,DMS:A:907,invalid,,,,,CS(=O)C,
,,,DMS:A:906,invalid,,,,,CS(=O)C,
,,,R6N:A:901,valid,,,,,CCCCNc1ncc2c(cn(c2n1)C3CCC(CC3)O)c4ccc(cc4)CN5CCN(CC5)C,
,,7AAZ,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:906,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,CL:A:907,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,R6K:A:901,valid,,,,,Cn1cc(cn1)c2cc(c(nc2)N)C(=O)N[C@H]3CCC[C@@H]3OCc4ccc(cc4)c5ccc(cc5)CN6CCN(CC6)C,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,7AAY,,,,,,,
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,PRO:A:862,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,L1X:A:901,valid,,,,,CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C,
,,5TC0,,,,,,,
,,,79Y:A:1100,valid,ic50,=,25,nM,CS(=O)(=O)N1CCO[C@@H](C1)c2csc(n2)c3ccccc3NC(=O)c4[nH]ccn4,
,,5K0X,,,,,,,
,,,CL:A:901,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:B:902,invalid,,,,,[Cl-],
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,K0X:A:904,valid,ic50,=,4.4,nM,c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F,
,,,K0X:B:903,valid,ic50,=,4.4,nM,c1cc(ccc1CNC(=O)c2cnc3nc2NCCCC[C@@H](C(=O)NCCCCCCN3)N)F,
,,7AAX,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,R6H:A:901,valid,,,,,CCOc1cn(nc1C(=O)Nc2ccc(c(c2)F)Oc3ccnc4c3cc(c(c4)OC)OC)c5ccc(cc5C)F,
,,7AB1,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,DMS:A:906,invalid,,,,,CS(=O)C,
,,,C6F:A:901,valid,,,,,CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5,
,,2P0C,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BME:A:3,invalid,,,,,C(CS)O,
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,MG:B:5,Part of Protein,,,,,[Mg+2],
,,,MG:B:6,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PVF,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4CLI,,,,,,,
,,,5P8:A:2401,valid,Ki,<,0.07,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,5AAA,,,,,,,
,,,VGH:A:9000,valid,Ki,=,0.38,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,4CLJ,,,,,,,
,,,5P8:A:2402,valid,Ki,=,0.7,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,4CMO,,,,,,,
,,,YPW:A:2402,valid,Ki,=,0.85,nM,C[C@H](c1cc(ccc1C(=O)NC)F)Oc2c(ncc(n2)c3cccnc3OC)N,
,,5AA8,,,,,,,
,,,5P8:A:2402,valid,Ki,=,8.6,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,3LCS,,,,,,,
,,,GOL:A:1411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1412,invalid,,,,,C(C(CO)O)O,
,,,STU:A:1,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,4CCU,,,,,,,
,,,AWF:A:1500,valid,,,,,Cc1c(sc(n1)C(C)(C)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F,
,,5IUH,,,,,,,
,,,34Y:A:1501,valid,ic50,=,402,nM,Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,2XB7,,,,,,,
,,,GUI:A:1501,valid,Ki,=,0.65,nM,CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl,
,,4CCB,,,,,,,
,,,OFG:A:2401,valid,,,,,Cc1c(c[nH]n1)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3n4nccn4)F,
,,4CTC,,,,,,,
,,,J99:A:2402,valid,,,,,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(nn3C)C4CC4)-c5cc(c(nc5)N)O1)C)F,
,,4FOD,,,,,,,
,,,0UV:A:1501,valid,ic50,=,0.0012,uM,CC(C)NC(=O)C1CCC(CC1)N2c3cc(ccc3N/C2=NC(=O)c4ccc(cc4)F)CN5CCC(CC5)C(C)(C)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,4DCE,,,,,,,
,,,0JF:A:1501,valid,ic50,=,0.174,uM,Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,
,,,0JF:B:1501,valid,ic50,=,0.174,uM,Cc1ccc(cc1)CNC(=O)[C@H]2CCCN(C2)c3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,
,,6E0R,,,,,,,
,,,HKJ:A:1500,valid,ic50,=,20,nM,Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)S(=O)(=O)C5COC5,
,,5AAC,,,,,,,
,,,VGH:A:9000,valid,Ki,=,1.3,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,5IUI,,,,,,,
,,,45Q:A:1501,valid,,,,,Cc1cc(ccc1N)c2cc([nH]n2)NC(=O)c3ccc(cc3)CN4CCN(CC4)C,
,,5IMX,,,,,,,
,,,CZ4:A:1501,valid,,,,,Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3ncc(c(n3)Nc4cn(nc4S(=O)(=O)C(C)C)C)Cl,
,,4ANQ,,,,,,,
,,,VGH:A:9000,valid,ic50,=,605,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,4Z55,,,,,,,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,4LO:A:1503,valid,ic50,=,13,nM,Cc1cc(c(cc1C2CCN(CC2)C)OC(C)C)Nc3nc4c(c[nH]n4)c(n3)Nc5ccccc5S(=O)(=O)C(C)C,
,,5A9U,,,,,,,
,,,5P8:A:2402,valid,Ki,=,0.08,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,4FOB,,,,,,,
,,,0US:A:1501,valid,ic50,=,0.005,uM,C=CCNS(=O)(=O)c1cccc(c1)C(=O)Nc2nc3cc(ccc3n2C4CCC(CC4)CO)CN5CCCCC5,
,,5FTQ,,,,,,,
,,,U4W:A:2402,valid,ic50,=,0.01,uM,CN1CCN(CC1)c2ccc(c(c2)NC3CCC(CC3)O)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F,
,,,GOL:A:2403,invalid,,,,,C(C(CO)O)O,
,,3AOX,,,,,,,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EMH:A:901,valid,Kd,=,2.4,nM,CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C,
,,4CD0,,,,,,,
,,,AWJ:A:1500,valid,Ki,=,0.2,nM,Cc1c(sc(n1)[C@@](C)(CO)O)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3N4NC=CN4)F,
,,5AA9,,,,,,,
,,,5P8:A:2402,valid,Ki,=,6.4,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,3LCT,,,,,,,
,,,ADP:A:1412,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1411,invalid,,,,,C(C(CO)O)O,
,,2XBA,,,,,,,
,,,571:A:1501,valid,Ki,=,23.68,nM,CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)C[N+](=C4)C(=O)[C@@H](c5ccccc5)O,
,,5IUG,,,,,,,
,,,729:A:1501,valid,ic50,=,177,nM,Cc1cc(ccc1NC(=O)Nc2cc(on2)C(C)(C)C)c3cc([nH]n3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,4MKC,,,,,,,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,4MK:A:1503,valid,,,,,Cc1cc(c(cc1C2CCNCC2)OC(C)C)Nc3ncc(c(n3)Nc4ccccc4S(=O)(=O)C(C)C)Cl,
,,4CTB,,,,,,,
,,,KVC:A:2402,valid,,,,,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O1)N)C)F,
,,5AAB,,,,,,,
,,,VGH:A:9000,valid,Ki,=,0.88,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,2XP2,,,,,,,
,,,VGH:A:9000,valid,,,,,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,,6EBW,,,,,,,
,,,J3Y:A:1500,valid,ic50,=,2.5,nM,Cc1cc(n[nH]1)n2cc(c3c2nc(cc3)N[C@@H](C)c4ccc(cn4)F)C(=O)N5CCOCC5,
,,4CMT,,,,,,,
,,,GWH:A:2401,valid,Ki,<,0.2,nM,C[C@H](c1cc(ccc1N2NC=CN2)F)Oc3cc(cnc3N)c4cccc(c4)S(=O)(=O)C,
,,4FOC,,,,,,,
,,,0UU:A:1501,valid,ic50,=,0.003,uM,COC(=O)C1CCC(CC1)n2c3cc(ccc3nc2NC(=O)c4ccccc4)CN5CCCCC5,
,,4CNH,,,,,,,
,,,3U9:B:2401,valid,Ki,=,4,nM,C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C,
,,,3U9:B:2402,valid,Ki,=,4,nM,C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C,
,,,3U9:A:2402,valid,Ki,=,4,nM,C[C@H](c1cc(ccc1OC)F)Oc2cc(cnc2N)c3cnnn3C,
,,4FNY,,,,,,,
,,,I3K:A:1501,valid,ic50,=,0.016,uM,COc1cc2c(ccnc2cc1OC)Oc3ccc4c(c3)nc(o4)Nc5ccc(cc5)Cl,
,,5KZ0,,,,,,,
,,,6YL:A:1501,valid,Ki,=,22,nM,Cc1c(cn(n1)C)c2cc(c(nc2)N)O[C@H](C)c3cc(ccc3C(=O)N(C)C)F,
,,6MX8,,,,,,,
,,,6GY:A:1500,valid,ic50,=,0.37,nM,CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl,
,,4CMU,,,,,,,
,,,IV7:A:2401,valid,Ki,<,0.2,nM,Cc1c-2c(n(n1)C)CN(C(=O)c3ccc(cc3[C@H](Oc4cc2cnc4N)C)F)C,
,,5FTO,,,,,,,
,,,YMX:A:2402,valid,Ki,=,6.2,nM,CN1CCN(CC1)c2ccc(c(c2)NC3CCOCC3)C(=O)Nc4c5cc(ccc5[nH]n4)Cc6cc(cc(c6)F)F,
,Family. Representative Entry is ,3GQI,,,,,,,
,,,4225_4226_4227_4228_4229_4230_4231_4232_4233_4234_4235_4236_4237_4238_4239_4240_4241_4242_4243_4244_4245_4246_4247_4248_4249_4250_4251_4252_4253_4254_4255_4256_4257_4258_4259_4260_4261_4262_:A:1,invalid,,,,,,
,,,ACP:A:775,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:776,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3C1X,,,,,,,
,,,CKK:A:1500,valid,ic50,=,0.045,uM,c1cc(ccc1CC(=O)NC(=O)Nc2ccc(c(c2)F)Oc3c4c(ccn4ncn3)CN5CCC(CC5)N)F,
,Family. Representative Entry is ,3UIM,,,,,,,
,,,ANP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6HP9,,,,,,,
,,,GKB:A:1001,valid,ic50,=,5.6,nM,Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F,
,,,GKB:B:1001,valid,ic50,=,5.6,nM,Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc4c(c3)C[C@@H](C4)Nc5cncnc5)C(F)(F)F,
,,5FDP,,,,,,,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,5WR:A:1001,valid,ic50,=,309,nM,C[C@@H]1CN(Cc2c1ccc(c2)C(=O)Nc3cc(cc(c3)C(F)(F)F)CN4CCN(CC4)C)c5cncnc5,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,,6FIO,,,,,,,
,,,DJH:A:1001,valid,ic50,=,0.03,uM,Cc1cccc2c1C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F,
,,6FIN,,,,,,,
,,,IOD:A:1008,invalid,,,,,[I-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1006,invalid,,,,,[I-],
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:A:1007,invalid,,,,,[I-],
,,,IOD:A:1001,invalid,,,,,[I-],
,,,DJQ:A:1009,valid,,,,,c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)Cc6nc(no6)C7CC7,
,,6FEW,,,,,,,
,,,D6W:A:1001,valid,ic50,=,1.41,uM,CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5,
,,4CKR,,,,,,,
,,,DI1:A:1000,valid,ic50,=,105,nM,CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)C(=O)Nc3ccc(c(c3)Oc4ccc5c(c4)CC(=O)N5)C,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,4BKJ,,,,,,,
,,,STI:A:1000,valid,Kd,=,1.9,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,STI:B:1000,valid,Kd,=,1.9,nM,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,6FEX,,,,,,,
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,CL:A:1007,invalid,,,,,[Cl-],
,,,CL:A:1008,invalid,,,,,[Cl-],
,,,CL:A:1009,invalid,,,,,[Cl-],
,,,CL:A:1010,invalid,,,,,[Cl-],
,,,MES:A:1006,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,D6Z:A:1001,valid,ic50,=,0.029,uM,c1cc2c(c(c1)Br)C3(CCN(CC3)C(=O)c4ccc5c(n4)cn[nH]5)C(=O)N2CC(=O)NCC(F)(F)F,
,,5BVN,,,,,,,
,,,IOD:A:1001,invalid,,,,,[I-],
,,,4VD:A:1002,valid,,,,,Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)CNC(=O)Nc4cccc(c4)F,
,,6GWR,,,,,,,
,,,FEW:B:1001,valid,Kd,=,7.9,nM,CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,FEW:A:1001,valid,Kd,=,7.9,nM,CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:B:1006,invalid,,,,,C(CO)O,
,,,EDO:B:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:B:1005,invalid,,,,,C(CO)O,
,,,EDO:B:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6FIL,,,,,,,
,,,IOD:A:1002,invalid,,,,,[I-],
,,,D6W:A:1001,valid,ic50,=,1.41,uM,CNC(=O)CN1CN(C2(C1=O)CCN(CC2)C(=O)c3ccc4c(c3)c[nH]n4)c5ccccc5,
,,5BVK,,,,,,,
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1001,invalid,,,,,[I-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1006,invalid,,,,,[I-],
,,,4VC:A:1007,valid,,,,,c1ccc(c(c1)NC(=O)NCc2cccnc2)Cl,
,,5BVO,,,,,,,
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1006,invalid,,,,,[I-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:A:1001,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:A:1007,invalid,,,,,[I-],
,,,4VE:A:1008,valid,,,,,Cc1ccc(cc1NC(=O)c2cnc3n2cccc3)[C@H](C)Nc4nc5cc(ccc5o4)F,
,,6FIQ,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,DJW:A:1001,valid,,,,,COc1ccc2c(n1)C3(CCN(CC3)C(=O)c4ccc5c(c4)cn[nH]5)C(=O)N2CC(=O)N6CCC[C@H]6C(F)(F)F,
,,5BVW,,,,,,,
,,,IOD:A:1005,invalid,,,,,[I-],
,,,IOD:A:1004,invalid,,,,,[I-],
,,,IOD:A:1006,invalid,,,,,[I-],
,,,IOD:A:1008,invalid,,,,,[I-],
,,,IOD:A:1001,invalid,,,,,[I-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:A:1007,invalid,,,,,[I-],
,,,1N1:A:1009,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,3ZOS,,,,,,,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,0LI:A:1004,invalid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:B:1000,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:A:1000,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,Family. Representative Entry is ,6T2W,,,,,,,
,,,M9T:A:1001,valid,ic50,=,0.00000001,M,Cc1cc(ccc1Nc2ncc3c(n2)N(C(=O)N3C)C4CCC(CC4)O)OC,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3KRL,,,,,,,
,,,KRL:A:1,valid,ic50,=,0.8,nM,CN1CCN(CC1)c2ccc(c(c2)N3CCCCC3)NC(=O)c4ccc(o4)C#N,
,,,SO4:A:923,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3DPK,,,,,,,
,,,8C5:A:923,valid,ic50,=,4.1,nM,CONC(=O)C1=CN(c2c(cnc(n2)Nc3ccc(cc3)CCN4CCCC4)C1=O)C5CCCCC5,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2I0Y,,,,,,,
,,,5CN:A:1000,valid,,,,,CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO,
,,3BEA,,,,,,,
,,,IXH:A:923,valid,ic50,=,0.007,uM,C[C@H]1CN(C[C@H](N1)C)c2ccc(cc2)Nc3ncc4c(n3)N(C=C(C4=O)C(=O)N)c5ccc6c(c5)CCC6,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2I1M,,,,,,,
,,,5CN:A:1000,valid,,,,,CC1CCN(CC1)c2ccc(cc2NC(=O)c3ccc(o3)C#N)CO,
,,3KRJ,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,KRJ:A:923,valid,ic50,=,1.1,nM,c1cc(c(cc1C2CCNCC2)C3=CCCCC3)NC(=O)c4[nH]cc(n4)C#N,
,,3LCD,,,,,,,
,,,BDY:A:923,valid,ic50,=,40,nM,c1cc(c(c(c1)Cl)CNc2c(ncc(n2)c3ccc(cc3)C(=O)N4CCC[C@@H]4CN5CCCC5)N)Cl,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6IG8,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,A7O:A:1004,valid,,,,,COc1cc(ccc1OCc2ccc(cc2)C3CC3)C4CN(C4)C(=O)c5cc(ccn5)COC[C@H](CO)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6I82,,,,,,,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:B:1105,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,FMT:A:1108,invalid,,,,,C(=O)O,
,,,FMT:B:1110,invalid,,,,,C(=O)O,
,,,FMT:A:1111,invalid,,,,,C(=O)O,
,,,FMT:A:1107,invalid,,,,,C(=O)O,
,,,FMT:A:1110,invalid,,,,,C(=O)O,
,,,FMT:A:1106,invalid,,,,,C(=O)O,
,,,FMT:B:1108,invalid,,,,,C(=O)O,
,,,FMT:A:1104,invalid,,,,,C(=O)O,
,,,FMT:B:1109,invalid,,,,,C(=O)O,
,,,FMT:A:1105,invalid,,,,,C(=O)O,
,,,FMT:B:1106,invalid,,,,,C(=O)O,
,,,FMT:A:1109,invalid,,,,,C(=O)O,
,,,FMT:B:1107,invalid,,,,,C(=O)O,
,,,FMT:B:1111,invalid,,,,,C(=O)O,
,,,FMT:B:1112,invalid,,,,,C(=O)O,
,,,CL:B:1101,invalid,,,,,[Cl-],
,,,H6W:A:1101,valid,ic50,=,0.019,uM,CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4,
,,,H6W:B:1102,valid,ic50,=,0.019,uM,CN(C)CCCNc1ccn2c(n1)c(cn2)c3ccc4c(c3)OCO4,
,,6NE7,,,,,,,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1101,invalid,,,,,C(=O)O,
,,,AMP:A:1103,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2IVS,,,,,,,
,,,ACK:A:3016,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,ACK:B:3016,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,FMT:A:3013,invalid,,,,,C(=O)O,
,,,FMT:A:3014,invalid,,,,,C(=O)O,
,,,FMT:A:3015,invalid,,,,,C(=O)O,
,,,FMT:B:3013,invalid,,,,,C(=O)O,
,,,FMT:B:3014,invalid,,,,,C(=O)O,
,,,FMT:B:3015,invalid,,,,,C(=O)O,
,,2X2L,,,,,,,
,,,FMT:A:2011,invalid,,,,,C(=O)O,
,,,FMT:A:2012,invalid,,,,,C(=O)O,
,,,FMT:A:2013,invalid,,,,,C(=O)O,
,,,FMT:A:2014,invalid,,,,,C(=O)O,
,,,X2L:A:2015,valid,ic50,=,5.3,uM,COc1ccc(cc1)C=C/2c3cc(ccc3NC2=O)N,
,,6NJA,,,,,,,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1103,invalid,,,,,C(=O)O,
,,,ADE:A:1101,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,6I83,,,,,,,
,,,FMT:A:1108,invalid,,,,,C(=O)O,
,,,FMT:A:1103,invalid,,,,,C(=O)O,
,,,FMT:A:1113,invalid,,,,,C(=O)O,
,,,FMT:A:1114,invalid,,,,,C(=O)O,
,,,FMT:A:1111,invalid,,,,,C(=O)O,
,,,FMT:A:1107,invalid,,,,,C(=O)O,
,,,FMT:A:1116,invalid,,,,,C(=O)O,
,,,FMT:A:1110,invalid,,,,,C(=O)O,
,,,FMT:A:1106,invalid,,,,,C(=O)O,
,,,FMT:A:1104,invalid,,,,,C(=O)O,
,,,FMT:A:1105,invalid,,,,,C(=O)O,
,,,FMT:A:1112,invalid,,,,,C(=O)O,
,,,FMT:A:1115,invalid,,,,,C(=O)O,
,,,FMT:A:1109,invalid,,,,,C(=O)O,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,H72:A:1101,valid,ic50,=,0.025,uM,c1cc(cnc1)CNc2ccn3c(n2)c(cn3)c4ccc(cc4)C(=O)N,
,,6FEK,,,,,,,
,,,ADN:A:1104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,FMT:A:1103,invalid,,,,,C(=O)O,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1101,invalid,,,,,C(=O)O,
,,2IVU,,,,,,,
,,,FMT:A:3013,invalid,,,,,C(=O)O,
,,,FMT:A:3014,invalid,,,,,C(=O)O,
,,,ZD6:A:3015,valid,Ki,=,375,nM,CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br,
,,4CKJ,,,,,,,
,,,FMT:A:2023,invalid,,,,,C(=O)O,
,,,FMT:A:2030,invalid,,,,,C(=O)O,
,,,FMT:A:2015,invalid,,,,,C(=O)O,
,,,FMT:A:2026,invalid,,,,,C(=O)O,
,,,FMT:A:2022,invalid,,,,,C(=O)O,
,,,FMT:A:2027,invalid,,,,,C(=O)O,
,,,FMT:A:2020,invalid,,,,,C(=O)O,
,,,FMT:A:2029,invalid,,,,,C(=O)O,
,,,FMT:A:2018,invalid,,,,,C(=O)O,
,,,FMT:A:2019,invalid,,,,,C(=O)O,
,,,FMT:A:2025,invalid,,,,,C(=O)O,
,,,FMT:A:2028,invalid,,,,,C(=O)O,
,,,FMT:A:2016,invalid,,,,,C(=O)O,
,,,FMT:A:2017,invalid,,,,,C(=O)O,
,,,FMT:A:2021,invalid,,,,,C(=O)O,
,,,FMT:A:2024,invalid,,,,,C(=O)O,
,,,ADN:A:2014,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,7JU5,,,,,,,
,,,FMT:B:1103,invalid,,,,,C(=O)O,
,,,FMT:B:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1103,invalid,,,,,C(=O)O,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,Q4J:A:1101,valid,,,,,Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C,
,,,Q4J:B:1101,valid,,,,,Cc1cc(n[nH]1)Nc2cc(nc(n2)C3CCC(CC3)(C(=O)N[C@@H](C)c4ccc(nc4)n5cc(cn5)F)OC)C,
,,6VHG,,,,,,,
,,,QX1:A:1101,valid,ic50,=,5.5,uM,CN1CCC(CC1)Nc2c(c(n3c(n2)c(cn3)c4ccc(c(c4)OC)OC)N)c5ccccc5,
,,,ACT:A:1108,invalid,,,,,CC(=O)[O-],
,,,CL:A:1106,invalid,,,,,[Cl-],
,,,CL:A:1107,invalid,,,,,[Cl-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X2M,,,,,,,
,,,FMT:A:2014,invalid,,,,,C(=O)O,
,,,FMT:A:2015,invalid,,,,,C(=O)O,
,,,FMT:B:2012,invalid,,,,,C(=O)O,
,,,FMT:B:2013,invalid,,,,,C(=O)O,
,,,FMT:B:2014,invalid,,,,,C(=O)O,
,,,X2M:A:2016,valid,ic50,=,0.17,uM,Cc1cc([nH]c1C=C/2c3ccccc3NC2=O)C,
,,,X2M:B:2015,valid,ic50,=,0.17,uM,Cc1cc([nH]c1C=C/2c3ccccc3NC2=O)C,
,,6NEC,,,,,,,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,FMT:C:1101,invalid,,,,,C(=O)O,
,,,XIN:C:1102,valid,,,,,CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5,
,,,XIN:A:1101,valid,,,,,CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5,
,,7JU6,,,,,,,
,,,Q6G:B:1101,valid,,,,,CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O,
,,,Q6G:A:1101,valid,,,,,CC(C)(COc1cc(c2c(cnn2c1)C#N)c3ccc(nc3)N4C[C@H]5C[C@@H](C4)N5Cc6ccc(nc6)OC)O,
,,,FMT:B:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1103,invalid,,,,,C(=O)O,
,,,FMT:A:1102,invalid,,,,,C(=O)O,
,,,FMT:A:1104,invalid,,,,,C(=O)O,
,,,FMT:A:1105,invalid,,,,,C(=O)O,
,,2IVV,,,,,,,
,,,FMT:A:3012,invalid,,,,,C(=O)O,
,,,FMT:A:3013,invalid,,,,,C(=O)O,
,,,PP1:A:3014,valid,,,,,Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N,
,,4CKI,,,,,,,
,,,FMT:A:2020,invalid,,,,,C(=O)O,
,,,FMT:A:2015,invalid,,,,,C(=O)O,
,,,FMT:A:2019,invalid,,,,,C(=O)O,
,,,FMT:A:2018,invalid,,,,,C(=O)O,
,,,FMT:A:2014,invalid,,,,,C(=O)O,
,,,FMT:A:2016,invalid,,,,,C(=O)O,
,,,FMT:A:2017,invalid,,,,,C(=O)O,
,,,FMT:A:2021,invalid,,,,,C(=O)O,
,,,ADN:A:2022,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,4ASE,,,,,,,
,,,AV9:A:3169,valid,Ki,=,0.01,nM,CC1=C/C(=NC(=O)Nc2ccc(cc2Cl)Oc3ccnc4c3cc(c(c4)OC)OC)/NO1,
,,4AGC,,,,,,,
,,,AXI:A:2000,valid,Ki,=,0.02,nM,CNC(=O)c1ccccc1Sc2ccc3c(c2)n[nH]c3/C=C/c4ccccn4,
,,4ASD,,,,,,,
,,,BAX:A:1500,valid,Ki,=,0.52,nM,CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl,
,Family. Representative Entry is ,4U0I,,,,,,,
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,0LI:A:1001,valid,ic50,<,11,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,1T46,,,,,,,
,,,PO4:A:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:5,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,STI:A:3,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C,
,,6KLA,,,,,,,
,,,DJX:A:1001,valid,,,,,CCN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)c4ccncc4,
,,3G0E,,,,,,,
,,,B49:A:9000,valid,Kd,=,20,nM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,4HVS,,,,,,,
,,,647:A:1001,valid,ic50,=,0.016,uM,c1cc2c(c[nH]c2nc1)Cc3ccc(nc3)NCc4ccc(cc4)C(F)(F)F,
,,6MOB,,,,,,,
,,,JWY:A:1015,valid,,,,,CCN1c2cc(ncc2C=C(C1=O)c3cc(c(cc3Cl)F)NC(=O)Nc4ccccc4)NC,
,,,NO3:A:1006,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1010,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1004,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1011,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1003,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1007,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1005,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1002,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1012,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1014,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1013,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1009,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1008,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1001,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6KZD,,,,,,,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DZ6:A:901,valid,ic50,=,2.95,nM,Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(C)C)C#Cc4cnc5n4cc(nc5)c6ccc(cc6)N,
,,4YMJ,,,,,,,
,,,4EJ:A:901,valid,ic50,=,0.1,uM,c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N,
,,,4EJ:B:901,valid,ic50,=,0.1,uM,c1ccc(cc1)CNc2ccc3ncc(n3n2)c4ccc(cc4)C#N,
,,,CL:A:905,invalid,,,,,[Cl-],
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,6KZC,,,,,,,
,,,DZC:A:901,valid,ic50,=,11.46,nM,Cc1c(cccc1C(=O)Nc2cc(cc(c2)N3CCN(CC3)C)C(F)(F)F)C#Cc4cnc5n4ccnc5,
,Family. Representative Entry is ,3PLS,,,,,,,
,,,ANP:A:1358,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5LPZ,,,,,,,
,,,ADP:A:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6GQJ,,,,,,,
,,,F82:A:1001,valid,,,,,CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC,
,,,F82:B:1001,valid,,,,,CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc(c(cc4ncn3)OC)OC,
,,6XVA,,,,,,,
,,,O2K:A:1001,valid,ic50,=,0.24,uM,CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C,
,,,O2K:B:1001,valid,ic50,=,0.24,uM,CCC(=O)NCc1cc(cc(c1)NC(=O)Cc2c(cc(cn2)Oc3ccnc4c3ccc(c4)OC)OC)C,
,,6GQM,,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,F8H:B:1001,valid,,,,,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3,
,,,F8H:A:1001,valid,,,,,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3,
,,6GQL,,,,,,,
,,,F8B:B:1001,valid,,,,,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,,,F8B:A:1001,valid,,,,,CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,,6GQK,,,,,,,
,,,F88:B:1001,valid,,,,,CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,,,F88:A:1001,valid,,,,,CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc4ncn3)OC)OC,
,Family. Representative Entry is ,2XVD,,,,,,,
,,,AS6:A:1889,valid,ic50,=,0.002,uM,Cc1ccc(cc1N(c2ccnc(n2)Nc3cc(cc(c3)S(=O)(=O)C)N4CCOCC4)C(C)C)CO,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,6FNM,,,,,,,
,,,1N1:A:1001,valid,,,,,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,2VX1,,,,,,,
,,,7X8:A:1889,valid,ic50,=,0.22,uM,c1cc(cc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl)C(=O)N,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,6FNI,,,,,,,
,,,DXH:A:1001,valid,Kd,=,6,nM,Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,2YN8,,,,,,,
,,,STU:A:1889,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:1889,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,2VWV,,,,,,,
,,,7X3:A:1888,valid,ic50,=,16,uM,COc1ccc(cc1Cl)Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC,
,,2VX0,,,,,,,
,,,7X7:A:1889,valid,ic50,=,0.58,uM,c1cc(cc(c1)N2CCOCC2)Nc3nccc(n3)Nc4c(ccc5c4OCO5)Cl,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,2X9F,,,,,,,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,X9F:A:1889,valid,ic50,=,0.061,uM,CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3cccc4c3cn[nH]4,
,,2VWU,,,,,,,
,,,7X1:A:1888,valid,ic50,=,0.35,uM,COc1cc2c(cc1OCCCN3CCCCC3)ncnc2Nc4c(ccc5c4OCO5)Cl,
,,2VWX,,,,,,,
,,,7X4:A:1889,valid,ic50,=,0.04,uM,c1cc(cc(c1)S(=O)(=O)N)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,,MG:A:1893,Part of Protein,,,,,[Mg+2],
,,4BB4,,,,,,,
,,,32W:A:1889,valid,,,,,COCCNC(=O)c1ccc(cc1)Nc2ncc3cc(ccc3n2)c4ccncc4,
,,,MG:A:1890,invalid,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,2VWW,,,,,,,
,,,7X2:A:1888,valid,ic50,=,0.24,uM,COc1cc(cc(c1OC)OC)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl,
,,6FNJ,,,,,,,
,,,DWT:B:1001,valid,Kd,=,142,nM,Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,,DWT:A:1001,valid,Kd,=,142,nM,Cc1ccc(cc1Nc2c3cn(nc3nc(n2)c4cccnc4)C)C(=O)Nc5cccc(c5)C(F)(F)F,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,2VWZ,,,,,,,
,,,7X6:A:1889,valid,ic50,=,0.794,uM,CS(=O)(=O)Nc1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,2VWY,,,,,,,
,,,7X5:A:1889,valid,ic50,=,0.09,uM,CS(=O)(=O)c1cccc(c1)Nc2nccc(n2)Nc3c(ccc4c3OCO4)Cl,
,,,MG:A:1890,Part of Protein,,,,,[Mg+2],
,,,MG:A:1891,Part of Protein,,,,,[Mg+2],
,,,MG:A:1892,Part of Protein,,,,,[Mg+2],
,,4AW5,,,,,,,
,,,30K:A:1365,valid,ic50,=,765,nM,CCN1CCC(CC1)Nc2ccc3c(c2)/C(=C(c4ccccc4)/c5[nH]c6ccc(cc6n5)OC)/C(=O)N3,
,,3ZEW,,,,,,,
,,,SO4:B:1889,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1891,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1890,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1890,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:1889,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:1888,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,6FNK,,,,,,,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,DXK:A:1001,valid,,,,,Cn1c2c(cn1)c(nc(n2)c3cccnc3)N,
,Family. Representative Entry is ,4OH4,,,,,,,
,,,ANP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5JKG,,,,,,,
,,,6LF:A:801,valid,ic50,<,6.4,nM,C[C@H](c1c(cncc1Cl)Cl)Oc2ccc3c(c2)c(n[nH]3)/C=C/c4cnn(c4)CCO,
,,4QRC,,,,,,,
,,,0LI:A:802,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6IUP,,,,,,,
,,,AX0:A:801,valid,ic50,=,23.1,nM,Cc1ccc2c(c1)c(c(o2)c3c4c(nn3c5ccc(cc5)NC(=O)C=C)C(=O)NN=C4N)C,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,4TYJ,,,,,,,
,,,PO4:A:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,0LI:A:801,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,4UXQ,,,,,,,
,,,0LI:A:1752,valid,Kd,=,16,nM,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,SO4:A:1751,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5LPB,,,,,,,
,,,ADP:A:1201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6JQR,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,CXS:A:1007,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,C6F:A:1001,valid,,,,,CCc1c(nc(c(n1)C(=O)N)Nc2ccc(c(c2)OC)N3CCC(CC3)N4CCN(CC4)C)NC5CCOCC5,
,Family. Representative Entry is ,4AT3,,,,,,,
,,,LTI:A:1839,valid,ic50,=,0.004,uM,c1ccc2c(c1)CCCC[C@H]2SC3=C(/C(=N/C(=O)N)/SN3)C(=O)N,
,,4AT4,,,,,,,
,,,T6E:A:1839,valid,ic50,=,0.012,uM,c1cc(ccc1c2csc3c2c(ncn3)N)NC(=O)Nc4cc(ccc4F)C(F)(F)F,
,,4AT5,,,,,,,
,,,GOL:A:1840,invalid,,,,,C(C(CO)O)O,
,,,MUJ:A:1839,valid,ic50,=,0.038,uM,COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N,
,Family. Representative Entry is ,4UXL,,,,,,,
,,,5P8:A:3230,valid,Ki,<,0.025,nM,C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(c(n(n3)C)C#N)-c4cc(c(nc4)N)O1)C)F,
,,3ZBF,,,,,,,
,,,VGH:A:3000,valid,Ki,=,2.1,nM,C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4,
,Family. Representative Entry is ,2OO8,,,,,,,
,,,RAJ:X:1,valid,ic50,=,1,nM,Cc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C,
,,2P4I,,,,,,,
,,,MR9:A:301,valid,ic50,=,10,nM,Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F,
,,,MR9:B:302,valid,ic50,=,10,nM,Cc1ccc(cc1Oc2c(cccn2)c3ccnc(n3)NC)C(=O)Nc4cc(ccc4N5CCOCC5)C(F)(F)F,
,,6MWE,,,,,,,
,,,919:A:1203,valid,,,,,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,,919:B:1203,valid,,,,,CC(C)(C)c1cc(n(n1)c2ccc3c(c2)cccn3)NC(=O)Nc4ccc(cc4F)Oc5ccnc(c5)C(=O)NC,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4X3J,,,,,,,
,,,3WR:A:1201,valid,,,,,c1cc(ccc1NC(=O)Nc2cc(ccc2F)C(F)(F)F)N3C=CC(=O)c4c3ncnc4N,
,Family. Representative Entry is ,5MJA,,,,,,,
,,,7O3:A:901,valid,ic50,=,220,nM,c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O,
,,,7O3:B:901,valid,ic50,=,220,nM,c1cc2c(cc1NC(=O)CCl)ncnc2Nc3cc(ccc3Cl)O,
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4FF8,,,,,,,
,,,14S:A:901,valid,ic50,=,0.4,uM,COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O,
,,3QUP,,,,,,,
,,,LUN:A:1,valid,ic50,=,0.476,uM,c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4CCCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F,
,,4FEQ,,,,,,,
,,,0T8:A:901,valid,ic50,=,1.1,uM,c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O,
,Family. Representative Entry is ,3EKK,,,,,,,
,,,GS2:A:1,valid,ic50,=,2,nM,CNC(=O)c1c(cccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=O)CN(C)C)cc4OC,
,,4IBM,,,,,,,
,,,IR1:A:1301,valid,ic50,=,1.8,uM,c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O,
,,,IR1:B:1301,valid,ic50,=,1.8,uM,c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=O,
,,5HHW,,,,,,,
,,,EDO:A:1402,invalid,,,,,C(CO)O,
,,,60O:A:1401,valid,,,,,c1cc(cc(c1)OC[C@H]2CCCCO2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,1I44,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,4XLV,,,,,,,
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,ACP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5E1S,,,,,,,
,,,5JA:A:1301,valid,Kd,=,12,nM,C[C@@H]1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC,
,,3EKN,,,,,,,
,,,GS3:A:1,valid,ic50,=,2,nM,CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F,
,Family. Representative Entry is ,6PNX,,,,,,,
,,,ACP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4K33,,,,,,,
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ACP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3BU5,,,,,,,
,,,ATP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6N33,,,,,,,
,,,PHE LEU GLN GLU GLN ALA GLN:A:909,invalid,,,,,,
,,,622:A:1001,valid,,,,,Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F,
,Family. Representative Entry is ,2Y6O,,,,,,,
,,,1N1:A:1892,valid,ic50,=,25,nM,Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl,
,,2XYU,,,,,,,
,,,GOL:A:1892,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1893,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1894,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1895,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1896,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1897,invalid,,,,,C(C(CO)O)O,
,,,Q9G:A:1898,valid,ic50,=,4.5,uM,Cc1ccc(cc1c2c3c(c4c(n[nH]c4n2)N)CCCC3)F,
16.-.-.-,,,,,,,,,
,Family. Representative Entry is ,6MLE,,,,,,,
,,,ACT:E:301,invalid,,,,,CC(=O)[O-],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ARG:E:303,valid,Kd,=,1,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,6MLA,,,,,,,
,,,ARG:E:301,valid,Kd,=,42,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,PO4:E:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,1LAG,,,,,,,
,,,HIS:E:240,valid,Kd,=,500,nM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,6MLI,,,,,,,
,,,GOL:E:308,invalid,,,,,C(C(CO)O)O,
,,,ACT:E:307,invalid,,,,,CC(=O)[O-],
,,,ACT:E:303,invalid,,,,,CC(=O)[O-],
,,,ACT:E:304,invalid,,,,,CC(=O)[O-],
,,,ACT:E:306,invalid,,,,,CC(=O)[O-],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ACT:E:305,invalid,,,,,CC(=O)[O-],
,,,HIS:E:301,valid,Kd,=,3700,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,6MLO,,,,,,,
,,,ARG:E:302,valid,Kd,=,0.8,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,ACT:E:301,invalid,,,,,CC(=O)[O-],
,,6MLN,,,,,,,
,,,GOL:E:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,ACT:E:303,invalid,,,,,CC(=O)[O-],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ARG:E:301,valid,Kd,=,29,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,6ML9,,,,,,,
,,,ARG:E:301,valid,Kd,=,5,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ACT:E:303,invalid,,,,,CC(=O)[O-],
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,6MKW,,,,,,,
,,,HIS:A:301,valid,Kd,=,17,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6MLG,,,,,,,
,,,ARG:E:301,valid,Kd,=,9,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,NA:E:305,Part of Protein,,,,,[Na+],
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,,ACT:E:303,invalid,,,,,CC(=O)[O-],
,,,ACT:E:304,invalid,,,,,CC(=O)[O-],
,,6MLP,,,,,,,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,HIS:E:301,valid,Kd,=,200,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,ACT:E:304,invalid,,,,,CC(=O)[O-],
,,1LST,,,,,,,
,,,LYS:A:240,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,1LAF,,,,,,,
,,,ARG:E:240,valid,Kd,=,14,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,5OWF,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GLN:A:320,valid,Kd,=,1.59,uM,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,PEG:A:319,invalid,,,,,C(COCCO)O,
,,6MKU,,,,,,,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,ARG:E:301,valid,Kd,=,70,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:E:302,invalid,,,,,CC(=O)[O-],
,,6MLJ,,,,,,,
,,,ARG:B:301,valid,Kd,=,55,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:301,valid,Kd,=,55,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,1LAH,,,,,,,
,,,ORN:E:240,valid,Kd,=,30,nM,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,2YLN,,,,,,,
,,,CYS:A:500,valid,Kd,=,0.021,uM,C([C@@H](C(=O)O)N)S,
,,,CYS:A:600,valid,Kd,=,0.021,uM,C([C@@H](C(=O)O)N)S,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1282,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1283,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3ZJQ,,,,,,,
,,,HEM:A:200,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:200,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NCA:B:300,valid,,,,,c1cc(cnc1)C(=O)N,
,,,NCA:A:300,valid,,,,,c1cc(cnc1)C(=O)N,
,,,GOL:A:1196,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2YJP,,,,,,,
,,,CYS:A:350,valid,Kd,=,21,nM,C([C@@H](C(=O)O)N)S,
,,,CYS:B:350,valid,Kd,=,21,nM,C([C@@H](C(=O)O)N)S,
,,,CYS:C:350,valid,Kd,=,21,nM,C([C@@H](C(=O)O)N)S,
,,,EDO:A:1276,invalid,,,,,C(CO)O,
,,,EDO:A:1277,invalid,,,,,C(CO)O,
,,,EDO:A:1278,invalid,,,,,C(CO)O,
,,,EDO:B:1270,invalid,,,,,C(CO)O,
,,,EDO:B:1271,invalid,,,,,C(CO)O,
,,,EDO:C:1272,invalid,,,,,C(CO)O,
,,,ZN:A:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1271,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1272,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1273,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1274,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1275,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1270,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1271,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1Z2A,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,1Z22,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2H3H,,,,,,,
,,,BGC:A:1500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1Z08,,,,,,,
,,,GNP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:3200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:4200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1300,Part of Protein,,,,,[Mg+2],
,,,MG:B:2300,Part of Protein,,,,,[Mg+2],
,,,MG:C:3300,Part of Protein,,,,,[Mg+2],
,,,MG:C:5004,Part of Protein,,,,,[Mg+2],
,,,MG:D:4300,Part of Protein,,,,,[Mg+2],
,,,MG:D:5001,Part of Protein,,,,,[Mg+2],
,,,MG:D:5002,Part of Protein,,,,,[Mg+2],
,,,MG:D:5003,Part of Protein,,,,,[Mg+2],
,,1YZT,,,,,,,
,,,GNP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,,1YZU,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,1Z0I,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1LFO,,,,,,,
,,,BEO:A:130,invalid,,,,,CC=CC(=O)O,
,,,OLA:A:128,valid,Kd,~,2,uM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:129,valid,Kd,~,2,uM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,UNX:A:131,invalid,,,,,*,
,Family. Representative Entry is ,1AKV,,,,,,,
,,,FMN:A:152,valid,Kd,=,0.0026,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:151,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5YOG,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,1C7E,,,,,,,
,,,FMN:A:1149,valid,Kd,=,505,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2149,valid,Kd,=,505,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1WSB,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3FX2,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5YOB,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,1J9E,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1BU5,,,,,,,
,,,RBF:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1AKR,,,,,,,
,,,FMN:A:149,valid,Kd,=,0.82,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1AKW,,,,,,,
,,,FMN:A:149,valid,Kd,=,2.6,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5YOE,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,1C7F,,,,,,,
,,,FMN:A:1149,valid,Kd,=,0.3,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2149,valid,Kd,=,0.3,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1XT6,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1XYV,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1AKQ,,,,,,,
,,,FMN:A:149,valid,Kd,=,0.79,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1WSW,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1AZL,,,,,,,
,,,FMN:A:149,valid,Kd,=,2.4,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5YOC,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,1AKU,,,,,,,
,,,FMN:A:150,valid,Kd,=,746,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FX2,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5FX2,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1J8Q,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1XYY,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1FX1,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1J9G,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1AKT,,,,,,,
,,,FMN:A:149,valid,Kd,=,3.2,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1I1O,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1F4P,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4FX2,,,,,,,
,,,FMN:A:149,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1TUK,,,,,,,
,,,IOD:A:101,invalid,,,,,[I-],
,,,IOD:A:102,invalid,,,,,[I-],
,,,PGM:A:103,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O,
,,,PGM:A:104,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O,
,Family. Representative Entry is ,2GJ5,,,,,,,
,,,VD3:A:163,valid,Kd,=,4.74,nM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,,VD3:A:164,valid,Kd,=,4.74,nM,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CCCC2=CC=C3C[C@H](CCC3=C)O)C,
,,3NQ3,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,DKA:A:3053,valid,Ka,=,6000,M^-1,CCCCCCCCCC(=O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,1GX8,,,,,,,
,,,RTL:A:1163,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,3UEX,,,,,,,
,,,EOH:A:3371,invalid,,,,,CCO,
,,,EOH:A:3372,invalid,,,,,CCO,
,,,EOH:A:3374,invalid,,,,,CCO,
,,,STE:A:163,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,5NUK,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,Z80:A:201,valid,,,,,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1B0O,,,,,,,
,,,PLM:A:180,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3UEV,,,,,,,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,MYR:A:5412,valid,Ka,=,778000,M^-1,CCCCCCCCCCCCCC(=O)O,
,,1GX9,,,,,,,
,,,REA:A:1163,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,3UEW,,,,,,,
,,,EOH:A:3371,invalid,,,,,CCO,
,,,EOH:A:3372,invalid,,,,,CCO,
,,,EOH:A:3373,invalid,,,,,CCO,
,,,PLM:A:1000,valid,Ka,=,2043000,M^-1,CCCCCCCCCCCCCCCC(=O)O,
,,3NQ9,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,OCA:A:1111,valid,Kd,=,92.6,uM,CCCCCCCC(=O)O,
,,5NUN,,,,,,,
,,,Z80:A:201,valid,,,,,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,,6GFS,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,F15:A:201,valid,Kd,=,0.000000064,M,CCCCCCCCCCCCCCC(=O)O,
,,3UEU,,,,,,,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,DAO:A:2871,valid,Ka,=,172000,M^-1,CCCCCCCCCCCC(=O)O,
,,4IB6,,,,,,,
,,,DAO:A:201,valid,Ka,=,248000,M^-1,CCCCCCCCCCCC(=O)O,
,,4Y0Q,,,,,,,
,,,PX9:A:201,valid,Ka,=,3000,M^-1,CCCCOc1ccc(cc1)OCCCN2CCOCC2,
,,5NUM,,,,,,,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,Z80:A:201,valid,,,,,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,,6GE7,,,,,,,
,,,EW8:A:201,valid,Kd,=,0.867,uM,CCCCCCCCCCCCCCCCCCC(=O)O,
,,6GHH,,,,,,,
,,,TDA:A:201,valid,Kd,=,0.000000064,M,CCCCCCCCCCCCC(=O)O,
,,6GF9,,,,,,,
,,,X90:A:201,valid,Kd,=,0.000000064,M,CCCCCCCCCCCCCCCCC(=O)O,
,,4Y0P,,,,,,,
,,,TE4:A:201,valid,Ka,=,885,M^-1,CCCCNc1ccc(cc1)C(=O)OCCN(C)C,
,,1BSO,,,,,,,
,,,BRC:A:388,valid,,,,,C(CCCCCC(=O)O)CCCCCBr,
,,4Y0R,,,,,,,
,,,PX9:A:201,valid,Ka,=,3000,M^-1,CCCCOc1ccc(cc1)OCCCN2CCOCC2,
,,5K06,,,,,,,
,,,SIN:A:203,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,MYR:A:202,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,5HTD,,,,,,,
,,,MYR:A:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1GXA,,,,,,,
,,,PLM:A:1163,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,4Y0S,,,,,,,
,,,PX9:A:201,valid,Ka,=,20800,M^-1,CCCCOc1ccc(cc1)OCCCN2CCOCC2,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JI0,,,,,,,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6IA7,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6IAE,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1N9L,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1N9N,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1J2J,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,IOD:A:1,invalid,,,,,[I-],
,,,IOD:B:2,invalid,,,,,[I-],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TCT,,,,,,,
,,,3MI:A:128,valid,Kd,=,3,nM,c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl,
,,,3MI:B:128,valid,Kd,=,3,nM,c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl,
,,2B16,,,,,,,
,,,DNF:A:128,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,DNF:B:128,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,4ABV,,,,,,,
,,,FT2:A:1125,valid,ic50,=,0.85,uM,c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl,
,,,FT2:B:1125,valid,ic50,=,0.85,uM,c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl,
,,5JID,,,,,,,
,,,8PF:A:301,valid,,,,,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,,,8PF:B:301,valid,,,,,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,5JIM,,,,,,,
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,,P8S:A:201,valid,,,,,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,
,,,P8S:B:201,valid,,,,,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,
,,6TI9,,,,,,,
,,,PGO:B:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:503,invalid,,,,,C[C@@H](CO)O,
,,,ND5:A:201,valid,,,,,c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br,
,,,ND5:B:502,valid,,,,,c1c(cc(c(c1/C=N/OCCC(=O)O)O)Br)Br,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,4HJU,,,,,,,
,,,16L:B:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C,
,,,16L:A:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cccc(c2)NC(=O)C=C,
,,2FLM,,,,,,,
,,,6CA:A:201,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O,
,,5AKV,,,,,,,
,,,G7G:B:1126,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,
,,,G7G:A:1126,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,
,,3IMU,,,,,,,
,,,IW4:A:128,valid,,,,,c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br,
,,,IW4:B:128,valid,,,,,c1cc(cc(c1)N)/C=C/c2cc(c(c(c2)Br)N)Br,
,,4ABU,,,,,,,
,,,FT1:A:1125,valid,ic50,=,0.52,uM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,,FT1:B:1125,valid,ic50,=,0.52,uM,c1cc(c(cc1C=O)O)Oc2ccc(cc2Cl)Cl,
,,2G5U,,,,,,,
,,,PCQ:A:240,valid,Kd,=,3.2,nM,c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,,PCQ:B:239,valid,Kd,=,3.2,nM,c1c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl,
,,4DER,,,,,,,
,,,AGI:A:201,valid,Kd,=,0.49,uM,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,,AGI:B:201,valid,Kd,=,0.49,uM,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,3CN3,,,,,,,
,,,LJ4:A:128,valid,,,,,c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br,
,,,LJ4:B:128,valid,,,,,c1ccc(cc1)Oc2cc(c(c(c2)Br)O)Br,
,,5L4M,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,SBK:B:201,valid,Kd,=,4.6,uM,c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl,
,,,SBK:A:201,valid,Kd,=,4.6,uM,c1c(c(nc(c1Cl)Cl)OCC(=O)O)Cl,
,,1THA,,,,,,,
,,,T33:A:130,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O,
,,,T33:B:130,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O,
,,6GRP,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,F4Z:B:202,valid,Kd,=,3.34,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,,F4Z:A:202,valid,Kd,=,3.34,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,,F4Z:B:201,valid,Kd,=,3.34,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,,F4Z:A:201,valid,Kd,=,3.34,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,5AKS,,,,,,,
,,,SO4:B:1125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:1128,invalid,,,,,CS(=O)C,
,,,R3X:A:1127,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,,R3X:B:1127,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,3NEE,,,,,,,
,,,B72:A:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,,B72:B:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,,GOL:A:126,invalid,,,,,C(C(CO)O)O,
,,3GS7,,,,,,,
,,,8BD:A:128,valid,,,,,COc1ccccc1C=N/OCCC(=O)O,
,,,8BD:B:128,valid,,,,,COc1ccccc1C=N/OCCC(=O)O,
,,4HIQ,,,,,,,
,,,16V:A:201,valid,Kd,=,6.2,nM,Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O,
,,,16V:B:201,valid,Kd,=,6.2,nM,Cc1c(c(n[nH]1)C)CCCOc2cc(ccc2F)C(=O)O,
,,3IMR,,,,,,,
,,,IW1:A:128,valid,,,,,c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl,
,,,IW1:B:128,valid,,,,,c1cc(c(c(c1)Cl)/C=C/c2cc(c(c(c2)Br)O)Br)Cl,
,,3KGU,,,,,,,
,,,GEN:A:3071,valid,Kd,=,1.2,uM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,,GEN:B:3071,valid,Kd,=,1.2,uM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,3ESP,,,,,,,
,,,DZ3:A:128,valid,,,,,Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br,
,,,DZ3:B:128,valid,,,,,Cc1cc(cc(c1O)C)C(=O)Nc2cc(c(c(c2)Br)O)Br,
,,1DVU,,,,,,,
,,,DBF:B:125,valid,,,,,c1cc2c3cccc(c3oc2c(c1)C(=O)O)C(=O)O,
,,5E23,,,,,,,
,,,L32:A:201,valid,,,,,c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,4QYA,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,LU2:B:201,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:A:201,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,2FBR,,,,,,,
,,,44C:A:173,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O,
,,2F7I,,,,,,,
,,,26C:A:326,valid,,,,,c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F,
,,,26C:B:325,valid,,,,,c1cc(c(c(c1)F)c2ccc(cc2)C(=O)O)F,
,,4HIS,,,,,,,
,,,3MI:A:201,valid,Kd,=,8.1,nM,c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl,
,,5AKT,,,,,,,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,R4G:B:1128,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,
,,,R4G:A:1128,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O,
,,5L4J,,,,,,,
,,,NA:A:202,invalid,,,,,[Na+],
,,,6JD:B:201,valid,Kd,=,52,uM,c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O,
,,,6JD:A:201,valid,Kd,=,52,uM,c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O,
,,5CR1,,,,,,,
,,,STL:B:201,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,,T44:A:201,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,4PM1,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,ESZ:A:201,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O,
,,,ESZ:B:203,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O,
,,1DVX,,,,,,,
,,,DIF:B:125,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,1DVT,,,,,,,
,,,FLP:A:125,valid,,,,,C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,
,,3IMS,,,,,,,
,,,IW2:A:128,valid,,,,,c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl,
,,,IW2:B:128,valid,,,,,c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl,
,,3FC8,,,,,,,
,,,IFA:A:3000,valid,ic50,=,4.1,uM,COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F,
,,,IFA:B:2000,valid,ic50,=,4.1,uM,COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F,
,,5EZP,,,,,,,
,,,IPJ:B:201,valid,,,,,c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O,
,,,IPJ:C:201,valid,,,,,c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O,
,,,IPJ:F:201,valid,,,,,c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O,
,,,IPJ:A:201,valid,,,,,c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O,
,,,IPJ:G:202,valid,,,,,c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O,
,,,EDO:G:201,invalid,,,,,C(CO)O,
,,3D2T,,,,,,,
,,,1FL:A:502,valid,Kd,=,75,nM,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,,,1FL:B:500,valid,Kd,=,75,nM,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,,4D7B,,,,,,,
,,,TCW:A:1126,valid,Kd,=,21,nM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,,TCW:B:1126,valid,Kd,=,21,nM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,6TXV,,,,,,,
,,,TCW:A:201,valid,Kd,=,3.1,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,,TCW:B:201,valid,Kd,=,3.1,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,3KGT,,,,,,,
,,,GEN:A:3071,valid,Kd,=,3.1,uM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,,GEN:B:3071,valid,Kd,=,3.1,uM,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,3CFT,,,,,,,
,,,5NS:A:1,valid,Kd,=,64,uM,c1cc2c(cccc2S(=O)(=O)O)c(c1)N,
,,,5NS:B:1,valid,Kd,=,64,uM,c1cc2c(cccc2S(=O)(=O)O)c(c1)N,
,,,5NS:B:128,valid,Kd,=,64,uM,c1cc2c(cccc2S(=O)(=O)O)c(c1)N,
,,1ETA,,,,,,,
,,,T44:1:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:2:129,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,4TQH,,,,,,,
,,,ES8:A:201,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O,
,,,ES8:B:201,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCC(=O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,1THC,,,,,,,
,,,FL9:A:130,valid,,,,,c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O,
,,,FL9:A:131,valid,,,,,c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O,
,,,FL9:B:130,valid,,,,,c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O,
,,,FL9:B:131,valid,,,,,c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O,
,,5IHH,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,6B5:A:201,valid,Kd,=,390,nM,COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O,
,,,6B5:B:201,valid,Kd,=,390,nM,COc1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O,
,,4FI7,,,,,,,
,,,0UA:B:301,valid,,,,,c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl,
,,,0UA:A:301,valid,,,,,c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl,
,,2QGE,,,,,,,
,,,MR6:A:201,valid,,,,,Cc1cc(cc(c1)c2nc3ccccc3o2)C,
,,,MR6:B:200,valid,,,,,Cc1cc(cc(c1)c2nc3ccccc3o2)C,
,,3IPE,,,,,,,
,,,JZE:B:128,valid,ic50,=,0.15,uM,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl,
,,1Z7J,,,,,,,
,,,T4A:A:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O,
,,,T4A:B:129,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O,
,,4I89,,,,,,,
,,,1FL:A:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,,,1FL:B:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,
,,2B15,,,,,,,
,,,DNF:A:130,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,DNF:B:128,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,SO4:A:128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CN1,,,,,,,
,,,LJ2:A:128,valid,,,,,c1ccc(cc1)C=Cc2cc(c(c(c2)Br)O)Br,
,,,LJ2:B:128,valid,,,,,c1ccc(cc1)C=Cc2cc(c(c(c2)Br)O)Br,
,,6GR7,,,,,,,
,,,F52:A:201,valid,Kd,=,3.19,uM,c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O,
,,,F52:B:201,valid,Kd,=,3.19,uM,c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O,
,,1DVZ,,,,,,,
,,,OFL:A:125,valid,Kd,=,78,nM,c1ccc(c(c1)C(=O)O)Nc2ccccc2C(F)(F)F,
,,2B9A,,,,,,,
,,,FBC:A:301,valid,,,,,c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O,
,,,FBC:B:302,valid,,,,,c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O,
,,3NEO,,,,,,,
,,,G24:A:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O,
,,,G24:B:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O,
,,1TT6,,,,,,,
,,,DES:A:129,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:B:128,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,GOL:A:130,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:128,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5TZL,,,,,,,
,,,IIH:B:201,valid,,,,,c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I,
,,,IIH:A:201,valid,,,,,c1cc2c(c(c1)Cl)oc(n2)c3cc(c(c(c3)I)O)I,
,,4TQI,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,6BD:B:201,valid,,,,,C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O,
,,,6BD:A:201,valid,,,,,C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O,
,,3NG5,,,,,,,
,,,GOL:A:130,invalid,,,,,C(C(CO)O)O,
,,,KDH:A:128,valid,,,,,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O,
,,,KDH:A:129,valid,,,,,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O,
,,,KDH:B:128,valid,,,,,c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O,
,,3CN2,,,,,,,
,,,LJ3:A:128,valid,,,,,c1ccc(cc1)c2cc(c(c(c2)Br)O)Br,
,,,LJ3:B:128,valid,,,,,c1ccc(cc1)c2cc(c(c(c2)Br)O)Br,
,,4FI8,,,,,,,
,,,0UC:A:301,valid,,,,,c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br,
,,,0UC:B:301,valid,,,,,c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br,
,,1ETB,,,,,,,
,,,T44:1:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:2:129,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,4WNJ,,,,,,,
,,,DMS:A:201,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,QUE:B:201,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,5AL0,,,,,,,
,,,R3S:A:1127,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O,
,,,R3S:B:1126,valid,,,,,c1cc(ccc1/C=C/c2cc(cc(c2)OS(=O)(=O)O)O)O,
,,,SO4:A:1126,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1125,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:1128,invalid,,,,,CS(=O)C,
,,3CFN,,,,,,,
,,,2AN:A:1,valid,Kd,=,4.3,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:1,valid,Kd,=,4.3,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,1TLM,,,,,,,
,,,MIL:A:128,valid,,,,,CC1=C(C=C(C(=O)N1)C#N)c2ccncc2,
,,,MIL:B:128,valid,,,,,CC1=C(C=C(C(=O)N1)C#N)c2ccncc2,
,,2QGD,,,,,,,
,,,MR5:A:200,valid,,,,,c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br,
,,,MR5:B:201,valid,,,,,c1ccc2c(c1)nc(o2)c3cc(c(c(c3)Br)O)Br,
,,5L4I,,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,6J3:A:201,valid,Kd,=,0.26,uM,Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O,
,,,6J3:B:201,valid,Kd,=,0.26,uM,Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O,
,,4WNS,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3RL:B:204,valid,,,,,COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O,
,,4YDN,,,,,,,
,,,2WN:A:201,valid,,,,,c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F,
,,,2WN:B:201,valid,,,,,c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)OS(=O)(=O)F,
,,,4B8:A:202,valid,,,,,c1cc(ccc1c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)O,
,,3ESO,,,,,,,
,,,DZ2:A:128,valid,,,,,c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl,
,,,DZ2:B:128,valid,,,,,c1cc(c(cc1Cl)C(=O)Nc2cc(c(c(c2)Br)O)Br)Cl,
,,3GLZ,,,,,,,
,,,1BD:A:500,valid,,,,,c1ccc(c(c1)C=NOCCC(=O)O)C(F)(F)F,
,,,1BD:B:501,valid,,,,,c1ccc(c(c1)C=NOCCC(=O)O)C(F)(F)F,
,,2G9K,,,,,,,
,,,NE1:A:501,valid,,,,,c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl,
,,,NE1:B:500,valid,,,,,c1cc(c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl,
,,4TQ8,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,7BD:A:201,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O,
,,,7BD:B:201,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O,
,,4PME,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,CUR:A:201,valid,,,,,COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=Cc2ccc(c(c2)OC)O)/O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,FER:B:201,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:B:202,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,3NEX,,,,,,,
,,,G24:A:126,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O,
,,,G24:B:126,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,3GS4,,,,,,,
,,,7BD:A:501,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O,
,,,7BD:B:500,valid,,,,,c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O,
,,3IPB,,,,,,,
,,,JZD:A:128,valid,ic50,=,0.2,uM,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl,
,,,JZD:B:129,valid,ic50,=,0.2,uM,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCCCCCCCCCCOc3c(cc(cc3Cl)Nc4ccccc4C(=O)O)Cl)Cl,
,,1F86,,,,,,,
,,,T44:A:428,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:B:528,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,5E4O,,,,,,,
,,,L57:A:201,valid,,,,,c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl,
,,,L57:B:201,valid,,,,,c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)Cl)Cl,
,,1TYR,,,,,,,
,,,9CR:A:131,valid,Kd,=,0.1,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,,9CR:B:130,valid,Kd,=,0.1,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=CC=CC(=CC(=O)O)C)/C,
,,1DVY,,,,,,,
,,,BPD:A:125,valid,,,,,c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C(=O)O)C(F)(F)F,
,,5HJG,,,,,,,
,,,XDI:B:201,valid,Kd,=,20,nM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,,XDI:A:201,valid,Kd,=,20,nM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,4AC2,,,,,,,
,,,43F:A:1125,valid,,,,,COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl,
,,,43F:B:1125,valid,,,,,COc1cc(ccc1Oc2ccc(cc2Cl)Cl)CCl,
,,6XTK,,,,,,,
,,,TCW:A:201,valid,Kd,=,0.029,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,,TCW:B:201,valid,Kd,=,0.029,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,4DEU,,,,,,,
,,,CA:B:203,invalid,,,,,[Ca+2],
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,NAR:A:205,valid,Kd,=,2.29,uM,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,NAR:B:202,valid,Kd,=,2.29,uM,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,4HJT,,,,,,,
,,,18A:A:201,valid,,,,,CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C,
,,,18A:B:201,valid,,,,,CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C,
,,4QXV,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,LU2:B:201,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:A:201,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,1BM7,,,,,,,
,,,FLF:A:501,valid,Kd,=,30,nM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,,FLF:B:502,valid,Kd,=,30,nM,c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F,
,,4L1S,,,,,,,
,,,1W4:A:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F,
,,,1W4:B:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)Sc3ccc(cc3)F,
,,5A6I,,,,,,,
,,,TCW:A:1124,valid,Kd,=,56,nM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,5L4F,,,,,,,
,,,6J1:A:201,valid,Kd,=,1.3,uM,Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-],
,,,6J1:B:201,valid,Kd,=,1.3,uM,Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,4TQP,,,,,,,
,,,48R:A:201,valid,,,,,C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C,
,,,48R:B:201,valid,,,,,C[C@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)NS(=O)(=O)C,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,1U21,,,,,,,
,,,P2C:A:211,valid,Kd,=,5,nM,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl,
,,,P2C:B:221,valid,Kd,=,5,nM,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl,
,,2QGC,,,,,,,
,,,MR4:A:128,valid,,,,,Cc1cc(cc(c1O)C)c2nc3ccccc3o2,
,,,MR4:B:128,valid,,,,,Cc1cc(cc(c1O)C)c2nc3ccccc3o2,
,,2B77,,,,,,,
,,,3CA:A:240,valid,,,,,c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O,
,,,3CA:B:239,valid,,,,,c1cc(c(cc1c2ccc(cc2Cl)Cl)C(=O)O)O,
,,1E4H,,,,,,,
,,,GOL:A:990,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:990,invalid,,,,,C(C(CO)O)O,
,,,PBR:A:998,valid,Kd,=,3.9,nM,c1(c(c(c(c(c1Br)Br)Br)Br)Br)O,
,,,PBR:B:999,valid,Kd,=,3.9,nM,c1(c(c(c(c(c1Br)Br)Br)Br)Br)O,
,,3CN4,,,,,,,
,,,LJ5:A:128,valid,,,,,c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br,
,,,LJ5:B:128,valid,,,,,c1ccc(cc1)C(=O)Nc2cc(c(c(c2)Br)O)Br,
,,5JIQ,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,27M:A:201,valid,,,,,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,,27M:B:201,valid,,,,,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,4KY2,,,,,,,
,,,1W3:A:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C,
,,,1W3:B:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/C2=C(c3ccc(cc3OC2=O)O)C,
,,3IMV,,,,,,,
,,,IW5:A:128,valid,,,,,c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N,
,,,IW5:B:128,valid,,,,,c1cc(ccc1/C=C/c2cc(c(c(c2)Br)N)Br)N,
,,6TXW,,,,,,,
,,,TCW:A:201,valid,Kd,=,0.11,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,,TCW:B:201,valid,Kd,=,0.11,uM,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-],
,,2GAB,,,,,,,
,,,NE2:A:502,valid,,,,,c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl,
,,,NE2:B:501,valid,,,,,c1cc(c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl,
,,3CN0,,,,,,,
,,,LJ1:A:128,valid,,,,,Cc1cc(cc(c1O)C)C=Cc2ccccc2,
,,,LJ1:B:128,valid,,,,,Cc1cc(cc(c1O)C)C=Cc2ccccc2,
,,3GS0,,,,,,,
,,,6BD:A:128,valid,,,,,C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O,
,,,6BD:B:128,valid,,,,,C[C@@H](CON=C1c2ccccc2-c3c1cccc3)C(=O)O,
,,5E4A,,,,,,,
,,,5JW:A:201,valid,,,,,c1cc-2c(cc1Cl)C(=NOCC(=O)O)c3c2ccc(c3)Cl,
,,4FI6,,,,,,,
,,,0U7:B:301,valid,,,,,c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl,
,,,0U7:A:301,valid,,,,,c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(cc(c3)Cl)Cl,
,,3M1O,,,,,,,
,,,CJZ:A:128,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl,
,,,CJZ:B:128,valid,,,,,c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)O)Cl,
,,4L1T,,,,,,,
,,,1WZ:B:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O,
,,,1WZ:A:201,valid,,,,,Cc1cc(cc(c1O)C)/C=C/c2cc(cc(c2)N(C)C)C(=O)O,
,,3FCB,,,,,,,
,,,IFB:A:3000,valid,ic50,=,4.9,uM,c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O,
,,,IFB:B:2000,valid,ic50,=,4.9,uM,c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O,
,,5EN3,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,7LU:A:201,valid,Kd,=,620,nM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O,
,,,7LU:B:201,valid,Kd,=,620,nM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)Cl)O)O)O,
,,2ROX,,,,,,,
,,,SO4:A:129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T44:A:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:B:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,4DET,,,,,,,
,,,KMP:A:201,valid,Kd,=,2.1,uM,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,KMP:B:201,valid,Kd,=,2.1,uM,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,4HJS,,,,,,,
,,,18J:B:201,valid,Ki,=,1.2,uM,CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C,
,,,18J:A:201,valid,Ki,=,1.2,uM,CCS(=O)(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C,
,,4I85,,,,,,,
,,,H50:A:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,,H50:B:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,1E5A,,,,,,,
,,,TBP:A:999,valid,Kd,=,23,nM,c1c(cc(c(c1Br)O)Br)Br,
,,,TBP:B:999,valid,Kd,=,23,nM,c1c(cc(c(c1Br)O)Br)Br,
,,5BOJ,,,,,,,
,,,4TX:B:201,valid,Kd,=,100,nM,Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C,
,,,4TX:A:201,valid,Kd,=,100,nM,Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,7ACU,,,,,,,
,,,R75:B:201,valid,ic50,=,4.3,uM,CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br,
,,,R75:A:201,valid,ic50,=,4.3,uM,CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br,
,,3IMW,,,,,,,
,,,IW6:A:128,valid,,,,,COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC,
,,,IW6:B:128,valid,,,,,COc1cccc(c1/C=C/c2cc(c(c(c2)Br)N)Br)OC,
,,4WO0,,,,,,,
,,,AGI:A:201,valid,,,,,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,,AGI:B:201,valid,,,,,c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O,
,,1TZ8,,,,,,,
,,,ACT:A:128,invalid,,,,,CC(=O)[O-],
,,,CO3:C:128,invalid,,,,,C(=O)([O-])[O-],
,,,DES:B:128,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:C:129,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DES:D:128,valid,,,,,CC/C(=C(/CC)c1ccc(cc1)O)/c2ccc(cc2)O,
,,,DMS:A:129,invalid,,,,,CS(=O)C,
,,,GOL:A:130,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:129,invalid,,,,,C(C(CO)O)O,
,,4ABW,,,,,,,
,,,42M:A:1125,valid,,,,,COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO,
,,,42M:B:1125,valid,,,,,COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO,
,,6R6I,,,,,,,
,,,H50:B:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,,H50:A:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2F8I,,,,,,,
,,,205:A:1002,valid,,,,,c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl,
,,,205:B:1001,valid,,,,,c1cc(c(c(c1)Cl)c2nc3ccc(cc3o2)C(=O)O)Cl,
,,5AL8,,,,,,,
,,,D75:A:1126,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,
,,,D75:B:1125,valid,,,,,c1cc(ccc1C2=COc3cc(ccc3C2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O,
,,3CFQ,,,,,,,
,,,DIF:A:1,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:B:1,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,1DVS,,,,,,,
,,,STL:A:125,valid,,,,,c1cc(ccc1C=Cc2cc(cc(c2)O)O)O,
,,5AYT,,,,,,,
,,,L6Y:B:201,valid,Ki,=,0.17,uM,c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O,
,,,L6Y:A:201,valid,Ki,=,0.17,uM,c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)N(C3=O)O,
,,3IMT,,,,,,,
,,,IW3:A:128,valid,,,,,c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N,
,,,IW3:B:128,valid,,,,,c1cc(ccc1/C=C/c2cc(c(c(c2)Br)O)Br)N,
,,2ROY,,,,,,,
,,,P28:A:128,valid,,,,,CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O,
,,,P28:B:128,valid,,,,,CC(=O)N[C@@H](Cc1ccc(cc1)Oc2cc(c(c(c2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O,
,,4YDM,,,,,,,
,,,4AJ:A:201,valid,,,,,c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl,
,,,4AJ:B:201,valid,,,,,c1cc(cc(c1)O)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl,
,,4PMF,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,CUR:B:201,valid,,,,,COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=Cc2ccc(c(c2)OC)O)/O,
,,,CUR:A:201,valid,,,,,COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=Cc2ccc(c(c2)OC)O)/O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,3ESN,,,,,,,
,,,DZ1:A:128,valid,,,,,Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C,
,,,DZ1:B:128,valid,,,,,Cc1cccc(c1C(=O)Nc2cc(c(c(c2)Br)O)Br)C,
,,3B56,,,,,,,
,,,DIU:A:2000,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:B:3000,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,4Y9B,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,MKS:A:200,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C,
,,,MKS:B:200,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,1Y1D,,,,,,,
,,,FHI:A:2000,valid,,,,,c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O,
,,,FHI:B:3000,valid,,,,,c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O,
,,4QRF,,,,,,,
,,,QAP:A:201,valid,,,,,c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O,
,,,QAP:B:201,valid,,,,,c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O,
,,6R68,,,,,,,
,,,JTK:A:201,valid,,,,,C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O,
,,,JTK:B:201,valid,,,,,C[C@H](c1ccc(c(c1)F)c2cc(cc(c2)Cl)Cl)C(=O)O,
,,4DES,,,,,,,
,,,57D:A:201,valid,Kd,=,1.4,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O,
,,,57D:B:201,valid,Kd,=,1.4,uM,c1ccc(cc1)C2=CC(=O)c3c(cc(cc3O2)O)O,
,,4I87,,,,,,,
,,,H50:A:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,,H50:B:201,valid,,,,,c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl,
,,4N87,,,,,,,
,,,GBJ:B:201,valid,,,,,CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C,
,,,GBJ:A:201,valid,,,,,CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C,
,,4PWH,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,PWH:A:201,valid,,,,,CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C,
,,,PWH:B:201,valid,,,,,CC(=CCOC(=O)/C=C/c1ccc(c(c1)O)O)C,
,,2B14,,,,,,,
,,,DNF:A:128,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,DNF:B:128,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,4ABQ,,,,,,,
,,,4V2:A:1125,valid,,,,,c1cc(cc(c1)O)c2nnc(o2)S,
,,,4V2:B:1125,valid,,,,,c1cc(cc(c1)O)c2nnc(o2)S,
,,3NES,,,,,,,
,,,B72:A:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,,B72:B:1,valid,,,,,Cc1cc(cc(c1Cc2ccc(c(c2)C(C)C)O)C)OCC(=O)O,
,,,GOL:A:126,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:127,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:126,invalid,,,,,C(C(CO)O)O,
,,4DEW,,,,,,,
,,,LU2:A:201,valid,Kd,=,0.1,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:B:201,valid,Kd,=,0.1,uM,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,4Y9E,,,,,,,
,,,MKT:B:200,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C,
,,,MKT:A:200,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3G4Q,,,,,,,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MCH:A:151,valid,,,,,C(Cl)(Cl)Cl,
,,,MCH:B:150,valid,,,,,C(Cl)(Cl)Cl,
,,,MCH:B:152,valid,,,,,C(Cl)(Cl)Cl,
,,3G4W,,,,,,,
,,,8CL:A:151,valid,,,,,c1ccc(cc1)Cl,
,,,8CL:B:150,valid,,,,,c1ccc(cc1)Cl,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3G4V,,,,,,,
,,,7CL:A:150,valid,,,,,CCCCCCl,
,,,7CL:B:151,valid,,,,,CCCCCCl,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3G4U,,,,,,,
,,,0CL:A:151,valid,,,,,C(CCl)CCl,
,,,0CL:B:150,valid,,,,,C(CCl)CCl,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3G52,,,,,,,
,,,CEE:A:150,valid,,,,,c1ccc(cc1)CCCl,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3G4Y,,,,,,,
,,,9CL:A:151,valid,,,,,c1ccc(cc1)CCl,
,,,9CL:B:150,valid,,,,,c1ccc(cc1)CCl,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3G53,,,,,,,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LT1:A:150,valid,,,,,c1ccc(cc1)CCCCl,
,,3G4R,,,,,,,
,,,CMO:A:148,invalid,,,,,[C-]#[O+],
,,,CMO:B:148,invalid,,,,,[C-]#[O+],
,,,DCE:A:150,valid,,,,,C(CCl)Cl,
,,,DCE:B:151,valid,,,,,C(CCl)Cl,
,,,HEM:A:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6LCF,,,,,,,
,,,FUB FUB:C:1,valid,Kd,=,0.15,uM,,
,,,FUB FUB:D:1,valid,Kd,=,0.15,uM,,
,,6LCE,,,,,,,
,,,AHR FUB:B:1,valid,,,,,O(C1C(O)C(CO)OC1O)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2A5J,,,,,,,
,,,GDP:A:2696,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:3000,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3IP6,,,,,,,
,,,PRO:A:500,valid,Kd,=,0.25,uM,C1C[C@H](NC1)C(=O)O,
,,,SO4:A:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IP9,,,,,,,
,,,ABU:A:357,valid,Kd,=,2.4,uM,C(CC(=O)O)CN,
,,,SO4:A:358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IP7,,,,,,,
,,,CA:A:357,Part of Protein,,,,,[Ca+2],
,,,CA:A:358,Part of Protein,,,,,[Ca+2],
,,,VAL:A:500,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,3IPA,,,,,,,
,,,ALA:A:500,valid,,,,,C[C@@H](C(=O)O)N,
,,,SO4:A:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:358,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IPC,,,,,,,
,,,LEU:A:500,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,SO4:A:357,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3IP5,,,,,,,
,,,ALA:A:500,valid,Kd,=,0.6,uM,C[C@@H](C(=O)O)N,
,,,PEG:A:357,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1KDK,,,,,,,
,,,DHT:A:301,valid,Kd,=,0.9,nM,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1D2S,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,DHT:A:301,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1KDM,,,,,,,
,,,CA:A:350,Part of Protein,,,,,[Ca+2],
,,,DHT:A:301,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,1LHV,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,IPA:A:502,invalid,,,,,CC(C)O,
,,,NOG:A:301,valid,,,,,CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,1LHN,,,,,,,
,,,AON:A:301,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@H]4O)C)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,1LHU,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,EST:A:301,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,6PYB,,,,,,,
,,,P5G:A:301,valid,ic50,=,4200,nM,COc1cc(ccc1O)C[C@H]2COC[C@@H]2Cc3ccc(c(c3)OC)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,1LHW,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ESM:A:301,valid,Kd,=,6.9,nM,C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)OC,
,,,IPA:A:501,invalid,,,,,CC(C)O,
,,1LHO,,,,,,,
,,,AOM:A:301,valid,,,,,C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1DQE,,,,,,,
,,,BOM:A:300,valid,,,,,CCCC=C/C=C/CCCCCCCCCO,
,,,BOM:B:400,valid,,,,,CCCC=C/C=C/CCCCCCCCCO,
,,2P70,,,,,,,
,,,PRZ:A:2961,valid,,,,,CC(C)Cc1c(nccn1)OC,
,,,PRZ:A:2962,valid,,,,,CC(C)Cc1c(nccn1)OC,
,,2P71,,,,,,,
,,,IHD:A:300,valid,,,,,CCCCCCCCCCCCCCCCI,
,Family. Representative Entry is ,5G61,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:600,Part of Protein,,,,,[Ca+2],
,,,CA:C:600,Part of Protein,,,,,[Ca+2],
,,,CA:B:600,Part of Protein,,,,,[Ca+2],
,,,ZEE UEA FRU FRU FRU:E:1,valid,Kd,=,0.4,uM,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,ZEE UEA FRU FRU FRU:G:1,valid,Kd,=,0.4,uM,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,ZEE UEA FRU FRU FRU:F:1,valid,Kd,=,0.4,uM,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,ZEE UEA FRU FRU FRU:H:1,valid,Kd,=,0.4,uM,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,5G62,,,,,,,
,,,CA:B:545,Part of Protein,,,,,[Ca+2],
,,,CA:A:545,Part of Protein,,,,,[Ca+2],
,,,CA:A:546,Part of Protein,,,,,[Ca+2],
,,,ZEE UEA FRU FRU FRU:C:1,valid,,,,,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,ZEE UEA FRU FRU FRU:D:1,valid,,,,,O(CC1(OCC2(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,5G60,,,,,,,
,,,CL:B:1537,invalid,,,,,[Cl-],
,,,GOL:C:1538,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1536,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1536,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1535,invalid,,,,,C(C(CO)O)O,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,GLC FRU FRU FRU:G:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU FRU:H:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU FRU:F:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU FRU:E:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,5G5Z,,,,,,,
,,,CA:B:545,Part of Protein,,,,,[Ca+2],
,,,CA:D:546,Part of Protein,,,,,[Ca+2],
,,,CA:A:545,Part of Protein,,,,,[Ca+2],
,,,CA:A:546,Part of Protein,,,,,[Ca+2],
,,,CA:C:545,Part of Protein,,,,,[Ca+2],
,,,CA:B:546,Part of Protein,,,,,[Ca+2],
,,,CA:C:546,Part of Protein,,,,,[Ca+2],
,,,CA:D:547,Part of Protein,,,,,[Ca+2],
,,,CA:D:545,Part of Protein,,,,,[Ca+2],
,,,GLC FRU FRU:H:1,valid,Kd,=,2.2,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU:G:1,valid,Kd,=,2.2,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU:F:1,valid,Kd,=,2.2,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU:E:1,valid,Kd,=,2.2,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6GNO,,,,,,,
,,,XDI:A:201,valid,Kd,=,0.18,uM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,,XDI:B:201,valid,Kd,=,0.18,uM,CC(C)(c1cc(c(c(c1)Br)O)Br)c2cc(c(c(c2)Br)O)Br,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6GNR,,,,,,,
,,,6J3:A:201,valid,Kd,=,3.61,uM,Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O,
,,,6J3:B:201,valid,Kd,=,3.61,uM,Cc1c(cccc1Cl)Nc2c(cccn2)C(=O)O,
,,1SN5,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T3:C:601,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,,T3:D:602,valid,,,,,c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I)I)O,
,,1SN0,,,,,,,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T44:B:602,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:C:601,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,6GNM,,,,,,,
,,,27M:B:201,valid,Kd,=,54.61,uM,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,,27M:C:201,valid,Kd,=,54.61,uM,c1cc(c(cc1O)O)C(=O)c2ccc(cc2O)O,
,,6GOO,,,,,,,
,,,8PF:A:201,valid,Kd,=,2.16,uM,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,,,8PF:B:201,valid,Kd,=,2.16,uM,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,,6GNP,,,,,,,
,,,F4Z:D:201,valid,Kd,=,28.41,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,,F4Z:A:201,valid,Kd,=,28.41,uM,c1c(c(nc(c1Cl)Cl)O)Cl,
,,6GNW,,,,,,,
,,,F52:C:201,valid,Kd,=,10.2,uM,c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O,
,,,F52:D:201,valid,Kd,=,10.2,uM,c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)O,
,,6GON,,,,,,,
,,,8PF:A:201,valid,Kd,=,2.16,uM,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,,,8PF:D:201,valid,Kd,=,2.16,uM,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,
,Family. Representative Entry is ,5NUL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5ULL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4NLL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3NLL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2FAX,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2FLV,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4NUL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1FVX,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2FVX,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1FLN,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6NUL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2FDX,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5NLL,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2FOX,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1FLD,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1FLA,,,,,,,
,,,FMN:A:139,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3ZKK,,,,,,,
,,,P33:A:1426,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,XYP XYP XYP XYP:B:1,valid,Kd,=,0.000000064,M,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,4C1U,,,,,,,
,,,1PE:A:1429,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1430,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1432,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1431,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,XYP XYP AHR:B:1,valid,Kd,=,81,nM,O(C1C(O)C(OC2C(O)C(O)C(O)OC2)OCC1O)C1C(O)C(O)C(CO)O1,
,,3ZKL,,,,,,,
,,,XYP XYP XYP:B:1,valid,Kd,=,0.000000064,M,O=C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)CO2)CO1,
,,,1PE:A:1427,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1426,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,4C1T,,,,,,,
,,,1PE:A:1007,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1006,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,XYP XYP XYP AHR:B:1,valid,Kd,=,70.8,nM,O(C1C(O)C(O)COC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2)OC1)C1C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1WA5,,,,,,,
,,,GTP:A:1177,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1178,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5Z99,,,,,,,
,,,SLB:A:501,valid,Kd,=,133,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,5YYB,,,,,,,
,,,NGE:B:501,valid,Kd,=,277,nM,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGE:A:501,valid,Kd,=,277,nM,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,Family. Representative Entry is ,2FR3,,,,,,,
,,,ACT:A:500,invalid,,,,,CC(=O)[O-],
,,,REA:A:300,valid,Kd,=,2,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,2G78,,,,,,,
,,,NA:A:500,invalid,,,,,[Na+],
,,,REA:A:200,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,2CBS,,,,,,,
,,,R13:A:200,valid,ic50,=,6,nM,CC(=C/C(=O)O)C=CC=C(/C)c1ccc2c(c1)C(CCC2(C)C)(C)C,
,,1CBS,,,,,,,
,,,REA:A:200,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,3CWK,,,,,,,
,,,REA:A:300,valid,Kd,=,250,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CBS,,,,,,,
,,,R12:A:200,valid,ic50,=,58,nM,Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)O,
,,2G79,,,,,,,
,,,NA:A:300,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,RET:A:200,valid,Kd,=,120,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2G7B,,,,,,,
,,,AZE:A:138,valid,,,,,CC=C(/C)C=CC=C(/C)C=CC1=C(CCCC1(C)C)C,
,,,NA:A:300,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,6MOR,,,,,,,
,,,RET:A:201,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,1CBQ,,,,,,,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RE9:A:200,valid,,,,,CC(=C/C(=O)O)C=CC[C@@]1(CC2=C(C1=C)CCCC2(C)C)C,
,Family. Representative Entry is ,6OB7,,,,,,,
,,,OLC:A:616,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:617,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:609,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:607,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:602,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:601,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:603,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:605,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:615,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:611,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:606,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:604,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:608,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:612,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:610,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:614,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:613,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:618,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,8DZ:A:619,valid,,,,,COc1cc(cc(c1OC)OC)C(=O)OCCCN2CCCN(CC2)CCCOC(=O)c3cc(c(c(c3)OC)OC)OC,
,Family. Representative Entry is ,1YZN,,,,,,,
,,,GNP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3B5J,,,,,,,
,,,12D:A:708,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[C@@]5(O4)[C@@H](C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N,
,,2FFB,,,,,,,
,,,ADP:A:708,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2PMK,,,,,,,
,,,128:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC5(O4)C(=CC(=[N+](O)[O-])C=C5[N+](=O)[O-])[N+](=O)[O-])N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1XEF,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:2800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:3800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,MG:B:1801,Part of Protein,,,,,[Mg+2],
,,,MG:C:2801,Part of Protein,,,,,[Mg+2],
,,,MG:D:3801,Part of Protein,,,,,[Mg+2],
,,2FF7,,,,,,,
,,,ADP:A:708,valid,Kd,=,7.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2FFA,,,,,,,
,,,ADP:A:708,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MPD:A:869,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,1S9D,,,,,,,
,,,AFB:A:403,valid,,,,,C[C@H]1CCCC=C[C@@H]2C[C@@H](C[C@H]2[C@@H](C=CC(=O)O1)O)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,1R8S,,,,,,,
,,,BME:A:506,invalid,,,,,C(CS)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:E:505,invalid,,,,,C(=O)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO3:E:502,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1R8Q,,,,,,,
,,,AFB:A:403,valid,,,,,C[C@H]1CCCC=C[C@@H]2C[C@@H](C[C@H]2[C@@H](C=CC(=O)O1)O)O,
,,,AFB:B:503,valid,,,,,C[C@H]1CCCC=C[C@@H]2C[C@@H](C[C@H]2[C@@H](C=CC(=O)O1)O)O,
,,,G3D:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,G3D:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ZN:E:601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4NVP,,,,,,,
,,,7CH:A:800,valid,Kd,=,27,nM,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O,
,,1Q3E,,,,,,,
,,,PCG:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,5KHH,,,,,,,
,,,6SW:A:701,valid,Kd,=,49.32,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O,
,,1Q43,,,,,,,
,,,CMP:A:646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,2Q0A,,,,,,,
,,,PCG:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,3ETQ,,,,,,,
,,,CMP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,3BPZ,,,,,,,
,,,CMP:A:641,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:641,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:641,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:641,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,1Q5O,,,,,,,
,,,CMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,5KHI,,,,,,,
,,,6SX:A:701,valid,Kd,=,0.17,uM,c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O,
,,5KHK,,,,,,,
,,,6SZ:A:701,valid,Kd,=,0.41,uM,c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O,
,,5KHG,,,,,,,
,,,CC7:A:701,valid,Kd,=,20.23,uM,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[P@](=O)(O1)O,
,,3U10,,,,,,,
,,,CMP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,5KHJ,,,,,,,
,,,6SY:B:701,valid,Kd,=,1.33,uM,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O,
,,,6SY:A:701,valid,Kd,=,1.33,uM,C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)OP(=O)(O1)O,
,,3U11,,,,,,,
,,,CMP:A:846,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:846,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,GOL:A:724,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:726,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:727,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:728,invalid,,,,,C(C(CO)O)O,
,,3OTF,,,,,,,
,,,CMP:A:725,valid,Kd,=,0.83,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,2FN8,,,,,,,
,,,RIP:A:303,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,1JJ7,,,,,,,
,,,ADP:A:752,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3F3E,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:707,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,LEU:A:601,valid,Kd,=,20,nM,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3GJD,,,,,,,
,,,BOG:A:701,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:706,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:518,invalid,,,,,[Cl-],
,,,NA:A:516,Part of Protein,,,,,[Na+],
,,,NA:A:517,Part of Protein,,,,,[Na+],
,,4MMB,,,,,,,
,,,BOG:A:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SRE:A:603,valid,,,,,CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,3MPQ,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:753,invalid,,,,,[Cl-],
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,MTN:A:801,Part of Protein,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3F3A,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:708,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,C14:A:707,invalid,,,,,CCCCCCCCCCCCCC,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,,TRP:A:601,valid,Ki,=,64800,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:602,valid,Ki,=,64800,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:603,valid,Ki,=,64800,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:604,valid,Ki,=,64800,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2Q72,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,IXX:A:801,valid,ic50,=,2090,uM,CN(C)CCCN1c2ccccc2CCc3c1cccc3,
,,,IXX:A:802,valid,ic50,=,2090,uM,CN(C)CCCN1c2ccccc2CCc3c1cccc3,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,2A65,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:753,invalid,,,,,[Cl-],
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,4MME,,,,,,,
,,,BOG:A:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:606,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,29Q:B:603,valid,Kd,=,318,nM,c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O,
,,,29Q:A:603,valid,Kd,=,318,nM,c1ccc2c(c1)C3=NCCN3[C@]2(c4ccc(cc4)Cl)O,
,,3F3C,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,,PFF:A:601,valid,Ki,=,950,nM,c1cc(ccc1C[C@@H](C(=O)O)N)F,
,,3USG,,,,,,,
,,,ACT:A:520,invalid,,,,,CC(=O)[O-],
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:524,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,,PC:A:523,invalid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PEG:A:521,invalid,,,,,C(COCCO)O,
,,,UND:A:522,invalid,,,,,CCCCCCCCCCC,
,,3USP,,,,,,,
,,,05L:A:612,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:607,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:608,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:605,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:613,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:611,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:610,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,05L:A:606,invalid,,,,,CCCCCCC[Se][C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,LEU:A:604,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,3GWU,,,,,,,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,,SRE:A:801,valid,ic50,=,19.7,uM,CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl,
,,2QEI,,,,,,,
,,,ALA:A:601,valid,,,,,C[C@@H](C(=O)O)N,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CXX:A:801,valid,ic50,~,5,uM,CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl,
,,,CXX:A:802,valid,ic50,~,5,uM,CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3F4I,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MSE:A:601,valid,,,,,C[Se]CC[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3GWW,,,,,,,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,,SFX:A:801,valid,ic50,=,355,mM,CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F,
,,3F3D,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MET:A:601,valid,Kd,=,69,nM,CSCC[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3F4J,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GLY:A:601,valid,Ki,=,322000,nM,C(C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,2QB4,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DSM:A:801,valid,,,,,CNCCCN1c2ccccc2CCc3c1cccc3,
,,,DSM:A:802,valid,,,,,CNCCCN1c2ccccc2CCc3c1cccc3,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3MPN,,,,,,,
,,,BOG:A:1,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,MTN:A:801,Part of Protein,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,2Q6H,,,,,,,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CXX:A:801,valid,ic50,=,250,uM,CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl,
,,,CXX:A:802,valid,ic50,=,250,uM,CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,3F48,,,,,,,
,,,ALA:A:601,valid,Kd,=,512,nM,C[C@@H](C(=O)O)N,
,,,BOG:A:701,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:702,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:703,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:704,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:705,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:706,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:751,Part of Protein,,,,,[Na+],
,,,NA:A:752,Part of Protein,,,,,[Na+],
,,4MMD,,,,,,,
,,,29E:A:603,valid,,,,,CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3,
,,,29E:B:603,valid,,,,,CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3,
,,,BOG:A:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:606,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,3GWV,,,,,,,
,,,LEU:A:601,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,RFX:A:801,valid,ic50,=,2.54,mM,CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F,
,,4MMC,,,,,,,
,,,BOG:A:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:606,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,29J:A:603,valid,,,,,CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O,
,,,29J:A:604,valid,,,,,CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O,
,,,NA:A:602,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1RYO,,,,,,,
,,,FE:A:329,Part of Protein,,,,,[Fe+3],
,,,OXL:A:328,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,1OAI,,,,,,,
,,,ASP SER GLY PHE SER PHE GLY SER LYS:B:10,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)CO,
,Family. Representative Entry is ,2ZFI,,,,,,,
,,,ADP:A:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,1VFW,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,2ZFM,,,,,,,
,,,ADP:A:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1VFZ,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,VO4:A:400,invalid,,,,,[O-][V](=O)([O-])[O-],
,,1VFV,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,1I5S,,,,,,,
,,,ADP:A:2000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,1I6I,,,,,,,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1000,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3ZUY,,,,,,,
,,,LDA:A:1314,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1315,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1316,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1317,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1318,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,NA:A:1310,Part of Protein,,,,,[Na+],
,,,NA:A:1311,Part of Protein,,,,,[Na+],
,,,PTY:A:1319,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1320,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TCH:A:1312,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,TCH:A:1313,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,3ZUX,,,,,,,
,,,LDA:A:1315,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1316,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1317,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1320,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1321,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,NA:A:1310,Part of Protein,,,,,[Na+],
,,,NA:A:1311,Part of Protein,,,,,[Na+],
,,,PTY:A:1318,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:A:1319,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,TCH:A:1313,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,TCH:A:1314,valid,,,,,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,2XKO,,,,,,,
,,,AKG:A:1223,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:1223,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,3R5T,,,,,,,
,,,ACY:A:5,invalid,,,,,CC(=O)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,FE:A:2,invalid,,,,,[Fe+3],
,,,MOH:A:3,invalid,,,,,CO,
,,,VBN:A:1,valid,,,,,C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C,
,Family. Representative Entry is ,4OEV,,,,,,,
,,,OXL:B:502,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:502,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,4OEU,,,,,,,
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,HIS:B:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:503,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,1UVC,,,,,,,
,,,STE:A:1092,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,STE:B:1092,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,1UVB,,,,,,,
,,,PAM:A:1092,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PAM:A:1093,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,1UVA,,,,,,,
,,,MYR:A:100,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4US3,,,,,,,
,,,BNG:A:1451,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:1450,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:1449,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:1458,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:701,Part of Protein,,,,,[Na+],
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,TRP:A:601,valid,Kd,=,4.8,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,LMU:A:1454,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:A:1452,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:A:1457,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:A:1453,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:A:1456,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:A:1455,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,1OIV,,,,,,,
,,,EDO:B:1174,invalid,,,,,C(CO)O,
,,,GDP:A:1174,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1175,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YZK,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2EVL,,,,,,,
,,,GAL SPH EIC:A:300,valid,Kd,=,0.2,uM,O(CC(N=C(O)CCCCCCCC=CCC=CCCCCC)C(O)C=CCCCCCCCCCCCCC)C1C(O)C(O)C(O)C(CO)O1,
,,,LNK:A:304,invalid,,,,,CCCCC,
,,,OCT:A:303,invalid,,,,,CCCCCCCC,
,,4GHP,,,,,,,
,,,EIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,4GJQ,,,,,,,
,,,CIS:B:700,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,,CIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,,HEX:A:302,invalid,,,,,CCCCCC,
,,3RIC,,,,,,,
,,,CIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,3S0I,,,,,,,
,,,CIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,2BV7,,,,,,,
,,,GM3:A:1212,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](CCCCCCCCCCCCCCCCC)O,
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4GXD,,,,,,,
,,,0SG:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,2EUM,,,,,,,
,,,D10:A:304,valid,,,,,CCCCCCCCCC,
,,,OCT:A:303,invalid,,,,,CCCCCCCC,
,,,BGC SPH GAL OCA:B:1,valid,Kd,=,0.2,uM,O(CC(N=C(O)CCCCCCC)C(O)C=CCCCCCCCCCCCCC)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,3S0K,,,,,,,
,,,03F:A:210,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC/C=CCCCCCCCC)O,
,,,NI:A:240,Part of Protein,,,,,[Ni+2],
,,4GIX,,,,,,,
,,,0SG:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,4GXG,,,,,,,
,,,EIS:B:700,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,,EIS:E:700,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,,EIS:A:700,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,,EIS:D:700,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,4GH0,,,,,,,
,,,EIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,,MYS:A:302,invalid,,,,,CCCCCCCCCCCCCCC,
,,1WBE,,,,,,,
,,,DKA:A:1001,valid,,,,,CCCCCCCCCC(=O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,3RZN,,,,,,,
,,,CIS:A:210,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)O,
,,2EVD,,,,,,,
,,,D10:A:304,valid,,,,,CCCCCCCCCC,
,,,OCT:A:303,invalid,,,,,CCCCCCCC,
,,,BGC SPH GAL DAO:B:1,valid,,,,,O(CC(N=C(O)CCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,1TFJ,,,,,,,
,,,CL:A:4001,invalid,,,,,[Cl-],
,,,DKA:A:1001,valid,,,,,CCCCCCCCCC(=O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,2EUK,,,,,,,
,,,GAL SPH NER:A:300,valid,Kd,=,0.25,uM,O(CC(N=C(O)CCCCCCCCCCCCCC=CCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C1C(O)C(O)C(O)C(CO)O1,
,,,OCT:A:303,invalid,,,,,CCCCCCCC,
,,4H2Z,,,,,,,
,,,EIS:A:301,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)NC(=O)CCCCCCCCCCC)O,
,,,MYS:A:303,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:A:302,invalid,,,,,CCCCCCCCCCCCCCC,
,,,NA:A:304,invalid,,,,,[Na+],
,,2EVS,,,,,,,
,,,D10:A:302,invalid,,,,,CCCCCCCCCC,
,,,GLC HEX:A:300,valid,,,,,,
,,,HEX:E:312,invalid,,,,,CCCCCC,
,,,HEX GLC:A:311,valid,,,,,O(CCCCCC)C1C(O)C(O)C(O)C(CO)O1,
,,1SX6,,,,,,,
,,,OCT:A:303,invalid,,,,,CCCCCCCC,
,,,BGC SPH GAL OLA:B:1,valid,,,,,O(CC(N=C(O)CCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCC)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,Family. Representative Entry is ,2WJH,,,,,,,
,,,FLC:B:200,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1167,Part of Protein,,,,,[Mg+2],
,,,MG:A:1168,Part of Protein,,,,,[Mg+2],
,,,MG:B:1167,Part of Protein,,,,,[Mg+2],
,,2WJJ,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2WJI,,,,,,,
,,,GNP:A:1166,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1166,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1167,Part of Protein,,,,,[Mg+2],
,,,MG:B:1167,Part of Protein,,,,,[Mg+2],
,,,PO4:B:1168,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4PFT,,,,,,,
,,,NO3:A:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,BMA BMA:D:1,valid,Kd,=,0.0023,uM,,
,,,BMA BMA:C:1,valid,Kd,=,0.0023,uM,,
,,4PFY,,,,,,,
,,,NO3:A:610,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:609,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:608,invalid,,,,,[N+](=O)([O-])[O-],
,,,BMA BMA BMA BMA BMA BMA:D:1,valid,Kd,=,0.0044,uM,,
,,,BMA BMA BMA BMA BMA BMA:C:1,valid,Kd,=,0.0044,uM,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1Z0K,,,,,,,
,,,GTP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:D:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:C:2201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1B0U,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4EVQ,,,,,,,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,PHB:A:406,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:402,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EVR,,,,,,,
,,,BEZ:A:401,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,2W7Y,,,,,,,
,,,IOD:A:1427,invalid,,,,,[I-],
,,,IOD:B:1427,invalid,,,,,[I-],
,,,GAL FUC A2G:C:1,valid,Ka,=,1200000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,,,GAL FUC A2G:D:1,valid,Ka,=,1200000,M^-1,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,1OPB,,,,,,,
,,,RET:A:134,valid,Kd,=,50,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:B:134,valid,Kd,=,50,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:C:134,valid,Kd,=,50,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:D:134,valid,Kd,=,50,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,3P7I,,,,,,,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,P7I:A:313,valid,Kd,=,19.9,nM,C(CP(=O)(O)O)N,
,Family. Representative Entry is ,2BCG,,,,,,,
,,,GDP:Y:1207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GER:G:2000,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,GER:G:4000,valid,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,MG:Y:1208,Part of Protein,,,,,[Mg+2],
,,,TRS:Y:3000,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1UKV,,,,,,,
,,,GDP:Y:1207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GER:Y:1206,Part of Protein,,,,,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,MG:Y:1208,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1F6B,,,,,,,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FMX,,,,,,,
,,,GDP:A:2567,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2568,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,SO4:A:4770,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4771,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1B7H,,,,,,,
,,,LYS NLE LYS:B:1,valid,Kd,=,0.0095,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCC)CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,1B5H,,,,,,,
,,,LYS DPP LYS:B:1,valid,Kd,=,0.97,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C[NH3+])CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,,1B3G,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS ILE LYS:B:1,valid,Kd,=,200,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(CC)C)CCCC[NH3+],
,,1B40,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS PHE LYS:B:1,valid,Kd,=,53,nM,O=C(NC(C(=O)NC(C=O)CCCC[NH3+])Cc1ccccc1)C([NH3+])CCCC[NH3+],
,,1JET,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS ALA LYS:B:1,valid,Kd,=,56,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C)CCCC[NH3+],
,,1B5I,,,,,,,
,,,LYS ASN LYS:B:1,valid,Kd,=,90,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(=O)N)CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,,1B5J,,,,,,,
,,,LYS GLN LYS:B:1,valid,Kd,=,37,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC(=O)N)CCCC[NH3+],
,,,U1:A:901,invalid,,,,,[U],
,,,U1:A:902,invalid,,,,,[U],
,,,U1:A:903,invalid,,,,,[U],
,,,U1:A:904,invalid,,,,,[U],
,,,U1:A:905,invalid,,,,,[U],
,,,U1:A:906,invalid,,,,,[U],
,,,U1:A:907,invalid,,,,,[U],
,,,U1:A:908,invalid,,,,,[U],
,,2OLB,,,,,,,
,,,ACT:A:526,invalid,,,,,CC(=O)[O-],
,,,ACT:A:527,invalid,,,,,CC(=O)[O-],
,,,ACT:A:528,invalid,,,,,CC(=O)[O-],
,,,ACT:A:529,invalid,,,,,CC(=O)[O-],
,,,ACT:A:530,invalid,,,,,CC(=O)[O-],
,,,ACT:A:531,invalid,,,,,CC(=O)[O-],
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS LYS LYS:B:1,valid,Kd,=,2900,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+],
,,1B6H,,,,,,,
,,,LYS NVA LYS:B:1,valid,Kd,=,0.015,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC)CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,,1B0H,,,,,,,
,,,LYS ALN LYS:B:601,valid,Kd,=,0.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])Cc1c2c(ccc1)cccc2)CCCC[NH3+],
,,,U1:A:901,invalid,,,,,[U],
,,,U1:A:902,invalid,,,,,[U],
,,,U1:A:903,invalid,,,,,[U],
,,,U1:A:904,invalid,,,,,[U],
,,,U1:A:905,invalid,,,,,[U],
,,,U1:A:906,invalid,,,,,[U],
,,,U1:A:907,invalid,,,,,[U],
,,,U1:A:908,invalid,,,,,[U],
,,1B46,,,,,,,
,,,ACT:A:526,invalid,,,,,CC(=O)[O-],
,,,ACT:A:527,invalid,,,,,CC(=O)[O-],
,,,ACT:A:528,invalid,,,,,CC(=O)[O-],
,,,ACT:A:529,invalid,,,,,CC(=O)[O-],
,,,ACT:A:530,invalid,,,,,CC(=O)[O-],
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS PRO LYS:B:1,valid,Kd,=,5200,nM,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)CCCC[NH3+],
,,1B4Z,,,,,,,
,,,ACT:A:526,invalid,,,,,CC(=O)[O-],
,,,ACT:A:527,invalid,,,,,CC(=O)[O-],
,,,ACT:A:528,invalid,,,,,CC(=O)[O-],
,,,ACT:A:529,invalid,,,,,CC(=O)[O-],
,,,ACT:A:530,invalid,,,,,CC(=O)[O-],
,,,ACT:A:531,invalid,,,,,CC(=O)[O-],
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS ASP LYS:B:1,valid,Kd,=,5900,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(=O)[O-])CCCC[NH3+],
,,1B3L,,,,,,,
,,,IUM:C:518,invalid,,,,,[O-][U+4][O-],
,,,LYS GLY LYS:B:1,valid,Kd,=,1300,nM,O=C([O-])C(NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+],
,,,LYS GLY LYS:D:1,valid,Kd,=,1300,nM,O=C([O-])C(NC(=O)CNC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+],
,,1QKA,,,,,,,
,,,IUM:A:608,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:603,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:607,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:610,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:601,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:611,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:609,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:605,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:606,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:602,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:604,invalid,,,,,[O-][U+4][O-],
,,,LYS ARG LYS:B:1,valid,Kd,=,1200,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+],
,,1B3F,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS HIS LYS:B:1,valid,Kd,=,130,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])Cc1nc[nH]c1)CCCC[NH3+],
,,1B52,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,LYS THR LYS:B:1,valid,Kd,=,76,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(O)C)CCCC[NH3+],
,,1OLA,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,VAL LYS PRO GLY:B:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NCC(=O)[O-])CCC1)CCCC[NH3+])C([NH3+])C(C)C,
,,1B2H,,,,,,,
,,,ACT:A:518,invalid,,,,,CC(=O)[O-],
,,,LYS ORN LYS:B:1,valid,Kd,=,29,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC=N)CCCC[NH3+],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,,,U1:A:526,invalid,,,,,[U],
,,1B4H,,,,,,,
,,,LYS DAB LYS:B:1,valid,Kd,=,3.44,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC[NH3+])CCCC[NH3+],
,,,U1:A:901,invalid,,,,,[U],
,,,U1:A:902,invalid,,,,,[U],
,,,U1:A:903,invalid,,,,,[U],
,,,U1:A:904,invalid,,,,,[U],
,,,U1:A:905,invalid,,,,,[U],
,,,U1:A:906,invalid,,,,,[U],
,,,U1:A:907,invalid,,,,,[U],
,,,U1:A:908,invalid,,,,,[U],
,,1B9J,,,,,,,
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:526,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:527,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:528,invalid,,,,,[O-][U+4][O-],
,,,LYS LEU LYS:B:1,valid,Kd,=,1100,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC(C)C)CCCC[NH3+],
,,1OLC,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS LYS LYS ALA:B:1,valid,Kd,=,2.7,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCCC[NH3+])CCCC[NH3+])C,
,,1B3H,,,,,,,
,,,LYS ALC LYS:B:1,valid,Kd,=,0.62,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CC1CCCCC1)CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,,1JEU,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS GLU LYS:B:1,valid,Kd,=,150,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCC(=O)[O-])CCCC[NH3+],
,,2RKM,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS LYS:A:2001,valid,Ki,=,125,uM,O=C([O-])C(NC(=O)C(N)CCCC[NH3+])CCCC[NH3+],
,,1B51,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:526,invalid,,,,,[O-][U+4][O-],
,,,LYS SER LYS:B:1,valid,Kd,=,43,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)CCCC[NH3+],
,,1B58,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS TYR LYS:B:1,valid,Kd,=,260,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])Cc1ccc(O)cc1)CCCC[NH3+],
,,1JEV,,,,,,,
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS TRP LYS:B:1,valid,Kd,=,130,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CCCC[NH3+],
,,1QKB,,,,,,,
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:614,invalid,,,,,CC(=O)[O-],
,,,ACT:A:612,invalid,,,,,CC(=O)[O-],
,,,ACT:A:615,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:A:613,invalid,,,,,CC(=O)[O-],
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,IUM:A:602,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:601,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:607,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:608,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:603,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:605,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:606,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:604,invalid,,,,,[O-][U+4][O-],
,,,LYS VAL LYS:B:1,valid,Kd,=,45,nM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(C)C)CCCC[NH3+],
,,1B1H,,,,,,,
,,,IUM:A:1001,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1002,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1003,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1004,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1005,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1006,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1007,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:1008,invalid,,,,,[O-][U+4][O-],
,,,LYS HPE LYS:B:1,valid,Kd,=,0.093,uM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CCc1ccccc1)CCCC[NH3+],
,,1B32,,,,,,,
,,,ACT:A:526,invalid,,,,,CC(=O)[O-],
,,,ACT:A:527,invalid,,,,,CC(=O)[O-],
,,,ACT:A:528,invalid,,,,,CC(=O)[O-],
,,,ACT:A:529,invalid,,,,,CC(=O)[O-],
,,,ACT:A:530,invalid,,,,,CC(=O)[O-],
,,,ACT:A:531,invalid,,,,,CC(=O)[O-],
,,,ACT:A:532,invalid,,,,,CC(=O)[O-],
,,,IUM:A:518,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:519,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:520,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:521,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:522,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:523,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:524,invalid,,,,,[O-][U+4][O-],
,,,IUM:A:525,invalid,,,,,[O-][U+4][O-],
,,,LYS MET LYS:B:1,valid,Kd,=,79,nM,S(CCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)[O-])CCCC[NH3+])C,
,,1B05,,,,,,,
,,,LYS CYS LYS:B:1,valid,Kd,=,75,nM,SCC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)[O-])CCCC[NH3+],
,,,U1:A:518,invalid,,,,,[U],
,,,U1:A:519,invalid,,,,,[U],
,,,U1:A:520,invalid,,,,,[U],
,,,U1:A:521,invalid,,,,,[U],
,,,U1:A:522,invalid,,,,,[U],
,,,U1:A:523,invalid,,,,,[U],
,,,U1:A:524,invalid,,,,,[U],
,,,U1:A:525,invalid,,,,,[U],
,Family. Representative Entry is ,7AFV,,,,,,,
,,,TRS:A:101,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SJK:A:102,valid,,,,,C1CSC2=NC=C(C(=O)N21)C(=O)NCCS,
,,,SJK:B:101,valid,,,,,C1CSC2=NC=C(C(=O)N21)C(=O)NCCS,
,Family. Representative Entry is ,6TFQ,,,,,,,
,,,SO4:A:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,N72:A:602,valid,Kd,=,2.1,nM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,N72:B:602,valid,Kd,=,2.1,nM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,CL:B:615,invalid,,,,,[Cl-],
,,,CL:A:617,invalid,,,,,[Cl-],
,,,GLC:A:601,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:601,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4ZOW,,,,,,,
,,,CLM:A:500,valid,Kd,=,75,uM,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,6EUQ,,,,,,,
,,,PR:A:503,invalid,,,,,[Pr+3],
,,,PR:A:504,invalid,,,,,[Pr+3],
,,,PGE:A:507,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:506,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:505,invalid,,,,,C(COCCOCCO)O,
,,,OCT:A:509,invalid,,,,,CCCCCCCC,
,,,OCT:A:508,invalid,,,,,CCCCCCCC,
,,,OCT:A:510,invalid,,,,,CCCCCCCC,
,,,HEX:A:511,invalid,,,,,CCCCCC,
,,,BNG:A:501,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DXC:A:502,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,ACT:A:512,invalid,,,,,CC(=O)[O-],
,,,PG4:A:513,invalid,,,,,C(COCCOCCOCCO)O,
,,4ZP0,,,,,,,
,,,LDA:A:501,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:502,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,DXC:A:500,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,6VS0,,,,,,,
,,,PR:A:502,invalid,,,,,[Pr+3],
,,,PR:A:503,invalid,,,,,[Pr+3],
,,,CLM:A:501,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,,6VRZ,,,,,,,
,,,PR:A:502,invalid,,,,,[Pr+3],
,,,PR:A:503,invalid,,,,,[Pr+3],
,,,CLM:A:501,valid,,,,,c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-],
,Family. Representative Entry is ,4EUO,,,,,,,
,,,ABU:A:404,valid,,,,,C(CC(=O)O)CN,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1DOT,,,,,,,
,,,CO3:A:689,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:690,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:687,Part of Protein,,,,,[Fe+3],
,,,FE:A:688,Part of Protein,,,,,[Fe+3],
,,,NAG:A:691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:A:692,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,3W5J,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1R2Q,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,1HUQ,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,1Z07,,,,,,,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,1N6R,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1Z0D,,,,,,,
,,,GDP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:800,Part of Protein,,,,,[Mg+2],
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1N6H,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6P,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6K,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GDP AF3:A:200,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-](F)(F)F)[O-],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6N,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6I,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6L,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GTP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1N6O,,,,,,,
,,,BME:A:210,invalid,,,,,C(CS)O,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1TU4,,,,,,,
,,,CO:A:1201,Part of Protein,,,,,[Co+2],
,,,CO:B:2201,Part of Protein,,,,,[Co+2],
,,,CO:B:251,Part of Protein,,,,,[Co+2],
,,,CO:C:3201,Part of Protein,,,,,[Co+2],
,,,CO:D:252,Part of Protein,,,,,[Co+2],
,,,CO:D:4201,Part of Protein,,,,,[Co+2],
,,,GDP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:3200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:4200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:B:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6LKK,,,,,,,
,,,G6P:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,6LKJ,,,,,,,
,,,BGP:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,6LKL,,,,,,,
,,,MLA:A:401,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:401,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,4MRP,,,,,,,
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GSH:A:703,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:703,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LDA:B:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,Family. Representative Entry is ,1PO0,,,,,,,
,,,FLC:A:742,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:743,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,1KMP,,,,,,,
,,,CIT:A:2001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2003,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,FE:A:2002,invalid,,,,,[Fe+3],
,,,FE:A:2000,invalid,,,,,[Fe+3],
,,,LDA:A:743,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:744,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:745,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:746,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:747,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:748,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:749,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:750,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:751,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:752,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:753,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:754,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:755,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:756,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:757,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:758,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,Family. Representative Entry is ,1S8F,,,,,,,
,,,BEZ:A:1500,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1501,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1502,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1503,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,CL:B:3001,invalid,,,,,[Cl-],
,,,GDP:A:3400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:6400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:5401,Part of Protein,,,,,[Mg+2],
,,,SR:A:2401,invalid,,,,,[Sr+2],
,,,SR:B:2001,invalid,,,,,[Sr+2],
,,1YZL,,,,,,,
,,,GNP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,1WMS,,,,,,,
,,,GDP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1O3Y,,,,,,,
,,,GTP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,1RRG,,,,,,,
,,,GDP:A:183,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:183,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:182,Part of Protein,,,,,[Mg+2],
,,,MG:B:182,Part of Protein,,,,,[Mg+2],
,,1HUR,,,,,,,
,,,GDP:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:182,Part of Protein,,,,,[Mg+2],
,,,MG:B:182,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6TEK,,,,,,,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3PGU,,,,,,,
,,,2PE:A:436,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:437,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:438,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,C8E:A:428,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:429,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:430,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:431,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:432,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:433,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:434,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:435,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:439,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:443,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:444,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:446,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:447,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:449,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,NA:A:442,Part of Protein,,,,,[Na+],
,,,NA:A:445,Part of Protein,,,,,[Na+],
,,,NI:A:440,Part of Protein,,,,,[Ni+2],
,,,NI:A:441,Part of Protein,,,,,[Ni+2],
,,,OLA:A:448,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1LSS,,,,,,,
,,,NAD:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6SVF,,,,,,,
,,,ARG:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,6Q3U,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ARG:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,1Z0F,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JG8,,,,,,,
,,,CA:B:1224,Part of Protein,,,,,[Ca+2],
,,,CA:E:1224,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1223,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SEP:D:1223,valid,Kd,=,37,nM,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,2WNU,,,,,,,
,,,NAG:A:1223,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SGN IDU:G:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,2WNV,,,,,,,
,,,2DR:C:1218,valid,,,,,C1[C@@H]([C@H](O[C@H]1O)CO)O,
,,,CA:B:1225,Part of Protein,,,,,[Ca+2],
,,,CA:E:1225,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1224,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1224,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1ERB,,,,,,,
,,,ETR:A:184,valid,Kd,=,8,nM,CCNC(=O)C=C(/C)C=CC=C(/C)C=CC1=C(CCCC1(C)C)C,
,,1FEM,,,,,,,
,,,REA:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C,
,,1RBP,,,,,,,
,,,RTL:A:183,valid,Kd,=,0.19,uM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,1KT5,,,,,,,
,,,RTL:A:176,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,1BRP,,,,,,,
,,,RTL:A:183,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5NU8,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,5NU2,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,1FEN,,,,,,,
,,,AZE:A:184,valid,,,,,CC=C(/C)C=CC=C(/C)C=CC1=C(CCCC1(C)C)C,
,,1HBP,,,,,,,
,,,RTL:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5NTY,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,5NUB,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,DAO:A:201,valid,,,,,CCCCCCCCCCCC(=O)O,
,,1FEL,,,,,,,
,,,FEN:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2ccc(cc2)O)C)C,
,,1KT6,,,,,,,
,,,RTL:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,1AQB,,,,,,,
,,,CD:A:184,invalid,,,,,[Cd+2],
,,,RTL:A:185,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5NU7,,,,,,,
,,,RTL:A:201,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,CL:A:202,invalid,,,,,[Cl-],
,,1KT7,,,,,,,
,,,RTL:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5NU9,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,5NUA,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,DAO:A:201,valid,,,,,CCCCCCCCCCCC(=O)O,
,,1KT4,,,,,,,
,,,RTL:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,1KT3,,,,,,,
,,,RTL:A:184,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5NU6,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1KGI,,,,,,,
,,,T4A:C:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O,
,,,T4A:D:328,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O,
,,1KGJ,,,,,,,
,,,FL8:B:328,valid,,,,,CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br,
,,,FL8:C:128,valid,,,,,CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br,
,,1IE4,,,,,,,
,,,T44:A:128,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,,T44:B:328,valid,,,,,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4O4Z,,,,,,,
,,,N2O:A:205,valid,,,,,N#[N+][O-],
,,,N2O:A:206,valid,,,,,N#[N+][O-],
,,,N2O:A:207,invalid,,,,,N#[N+][O-],
,,,N2O:A:204,valid,,,,,N#[N+][O-],
,,,N2O:A:203,valid,,,,,N#[N+][O-],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1EE4,,,,,,,
,,,PRO ALA ALA LYS ARG VAL LYS LEU ASP:C:320,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)C(C)C,
,,,PRO ALA ALA LYS ARG VAL LYS LEU ASP:D:323,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)C(C)C,
,,,PRO ALA ALA LYS ARG VAL LYS LEU ASP:E:320,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)C(C)C,
,,,PRO ALA ALA LYS ARG VAL LYS LEU ASP:F:323,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CCCNC(=[NH2+])N)C(C)C,
,Family. Representative Entry is ,1R4A,,,,,,,
,,,GNP:A:1201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:1203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:1204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:904,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3FW4,,,,,,,
,,,CAQ:A:180,valid,Kd,=,0.4,nM,c1ccc(c(c1)O)O,
,,,CAQ:C:180,valid,Kd,=,0.4,nM,c1ccc(c(c1)O)O,
,,,CL:A:183,invalid,,,,,[Cl-],
,,,CL:A:187,invalid,,,,,[Cl-],
,,,CL:A:188,invalid,,,,,[Cl-],
,,,CL:A:189,invalid,,,,,[Cl-],
,,,CL:A:190,invalid,,,,,[Cl-],
,,,CL:B:180,invalid,,,,,[Cl-],
,,,CL:B:181,invalid,,,,,[Cl-],
,,,CL:C:192,invalid,,,,,[Cl-],
,,,FE:A:179,invalid,,,,,[Fe+3],
,,,FE:B:179,invalid,,,,,[Fe+3],
,,,FE:C:179,invalid,,,,,[Fe+3],
,,,GOL:A:184,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:186,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:186,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:187,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:188,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:189,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:190,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:191,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:3731,invalid,,,,,C(C(CO)O)O,
,,,NA:A:181,invalid,,,,,[Na+],
,,,NA:A:182,invalid,,,,,[Na+],
,,,NA:C:181,invalid,,,,,[Na+],
,,,NA:C:182,invalid,,,,,[Na+],
,,,NA:C:183,invalid,,,,,[Na+],
,,,NA:C:184,invalid,,,,,[Na+],
,,3FW5,,,,,,,
,,,CL:A:184,invalid,,,,,[Cl-],
,,,FE:A:179,invalid,,,,,[Fe+3],
,,,FE:B:179,invalid,,,,,[Fe+3],
,,,FE:C:179,invalid,,,,,[Fe+3],
,,,GOL:A:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:186,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:187,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:181,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:185,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:186,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:187,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:188,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:189,invalid,,,,,C(C(CO)O)O,
,,,MCT:A:180,valid,,,,,Cc1ccc(c(c1)O)O,
,,,MCT:B:180,valid,,,,,Cc1ccc(c(c1)O)O,
,,,MCT:C:180,valid,,,,,Cc1ccc(c(c1)O)O,
,,,NA:A:181,Part of Protein,,,,,[Na+],
,,,NA:A:182,Part of Protein,,,,,[Na+],
,,,NA:A:183,Part of Protein,,,,,[Na+],
,,,NA:C:181,Part of Protein,,,,,[Na+],
,,,NA:C:182,Part of Protein,,,,,[Na+],
,,,NA:C:183,Part of Protein,,,,,[Na+],
,,,NA:C:184,Part of Protein,,,,,[Na+],
,,4ZHG,,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:E:203,invalid,,,,,[Cl-],
,,,CL:F:204,invalid,,,,,[Cl-],
,,,CL:C:204,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,AM:E:201,valid,,,,,[Am+3],
,,,AM:F:201,valid,,,,,[Am+3],
,,,AM:C:201,valid,,,,,[Am+3],
,,,AM:B:201,valid,,,,,[Am+3],
,,,AM:D:201,valid,,,,,[Am+3],
,,,AM:A:201,valid,,,,,[Am+3],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4OL:A:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:C:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:E:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:F:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:D:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:B:202,valid,Kd,=,29,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:203,invalid,,,,,C(C(CO)O)O,
,,1L6M,,,,,,,
,,,DBH:C:401,valid,Kd,=,7.9,nM,c1cc(c(c(c1)O)O)C(=O)O,
,,,DBS:A:203,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,DBS:C:403,valid,,,,,c1cc(c(c(c1)O)O)C(=O)N[C@@H](CO)C(=O)O,
,,,FE:C:400,invalid,,,,,[Fe+3],
,,,FE  DBH DBH:A:200,valid,,,,,O=C([O-])c1c2O[Fe-2]3(Oc4c(C(=O)[O-])cccc4O3)Oc2ccc1,
,,,FE  DBH DBS DBH:B:300,valid,,,,,O=C([O-])C(NC(=O)c1c2O[Fe-4]34(Oc5c(C(=O)[O-])cccc5O3)(Oc3c(C(=O)[O-])cccc3O4)Oc2ccc1)CO,
,,,SO4:A:230,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:430,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZHF,,,,,,,
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZCM:F:201,valid,,,,,[Cm+3],
,,,ZCM:A:201,valid,,,,,[Cm+3],
,,,ZCM:D:201,invalid,,,,,[Cm+3],
,,,ZCM:B:201,valid,,,,,[Cm+3],
,,,ZCM:C:201,valid,,,,,[Cm+3],
,,,ZCM:E:201,valid,,,,,[Cm+3],
,,,GOL:E:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:205,invalid,,,,,C(C(CO)O)O,
,,,4OL:A:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:C:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:E:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:F:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:D:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,,4OL:B:202,valid,Kd,=,22,nM,C1=CC(=O)N(C(=C1)C(=O)NCCCN(CCCCN(CCCNC(=O)C2=CC=CC(=O)N2O)C(=O)C3=CC=CC(=O)N3O)C(=O)C4=CC=CC(=O)N4O)O,
,,4ZHH,,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:C:205,invalid,,,,,[Cl-],
,,,CL:D:204,invalid,,,,,[Cl-],
,,,CL:F:204,invalid,,,,,[Cl-],
,,,CL:C:204,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:E:204,invalid,,,,,[Cl-],
,,,CL:D:207,invalid,,,,,[Cl-],
,,,SM  4OL:F:201,valid,Kd,=,13,nM,O=C(N(CCCNC(=O)C=1N(O)C(=O)C=CC=1)CCCCN(C(=O)C=1N(O)C(=O)C=CC=1)CCCNC(=O)C=1N(O)C(=O)C=CC=1)C=1N(O)C(=O)C=CC=1.[SmH3+2],
,,,SM  4OL:B:201,valid,Kd,=,13,nM,O=C(N(CCCNC(=O)C=1N(O)C(=O)C=CC=1)CCCCN(C(=O)C=1N(O)C(=O)C=CC=1)CCCNC(=O)C=1N(O)C(=O)C=CC=1)C=1N(O)C(=O)C=CC=1.[SmH3+2],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4OL SM :A:202,valid,Kd,=,13,nM,,
,,,4OL SM :C:202,valid,Kd,=,13,nM,,
,,,4OL SM :E:202,valid,Kd,=,13,nM,,
,,,4OL SM :D:202,valid,Kd,=,13,nM,,
,,,GOL:E:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:206,invalid,,,,,C(C(CO)O)O,
,,4ZHC,,,,,,,
,,,TC2:C:202,valid,Kd,=,13,nM,c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O,
,,,TC2:B:202,valid,Kd,=,13,nM,c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O,
,,,TC2:A:202,valid,Kd,=,13,nM,c1cc(c(c(c1)O)O)C(=O)NCCN(CCNC(=O)c2cccc(c2O)O)CCNC(=O)C3=CC=CC(=O)N3O,
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,,,ACT:C:205,invalid,,,,,CC(=O)[O-],
,,1QQS,,,,,,,
,,,DKA:A:181,valid,,,,,CCCCCCCCCC(=O)O,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,1X89,,,,,,,
,,,CM1:A:200,valid,,,,,C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)C=C/CCCCCCC(=O)O)C(=O)O1)O,
,,,CM1:B:200,valid,,,,,C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)C=C/CCCCCCC(=O)O)C(=O)O1)O,
,,,CM1:C:200,valid,,,,,C[C@H]1CC(N[C@H]2CCCCN(C2=O)O[Fe@@]34Oc5ccccc5C6=N[C@@H](CO6)C(=O)N[C@@H](CCCCN(O3)C(O4)C=C/CCCCCCC(=O)O)C(=O)O1)O,
,,1X71,,,,,,,
,,,FE  DB1 DB1:A:200,valid,,,,,O=C(N)c1c2O[Fe-2]3(Oc4c(C(O)[NH3+])cccc4O3)Oc2ccc1,
,,,FE  DB1 DB1:B:200,valid,,,,,O=C(N)c1c2O[Fe-2]3(Oc4c(C(O)[NH3+])cccc4O3)Oc2ccc1,
,,,FE  DB1:C:200,valid,,,,,O=C(N)c1c2O[Fe]Oc2ccc1,
,,4ZHD,,,,,,,
,,,4OZ:A:202,valid,,,,,COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O,
,,,4OZ:C:202,valid,,,,,COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O,
,,,4OZ:B:202,valid,,,,,COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O,
,,,4PU:C:201,valid,,,,,[Pu+4],
,,,4PU:A:201,valid,,,,,[Pu+4],
,,,4PU:B:201,valid,,,,,[Pu+4],
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1X8U,,,,,,,
,,,CM2:A:200,valid,,,,,c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)C=C/CCCCCCC(=O)O,
,,,CM2:B:200,valid,,,,,c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)C=C/CCCCCCC(=O)O,
,,,CM2:C:200,valid,,,,,c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)C=C/CCCCCCC(=O)O,
,Family. Representative Entry is ,5LJB,,,,,,,
,,,RTL:A:201,valid,Kd,=,4.5,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5LJG,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6E6M,,,,,,,
,,,8CB:A:201,valid,Ki,=,1662,nM,Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,
,,,8CB:B:201,valid,Ki,=,1662,nM,Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,
,,,8CB:C:201,valid,Ki,=,1662,nM,Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O,
,,6E5L,,,,,,,
,,,HVD:A:201,valid,Ki,=,76.3,nM,CCCCCc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,5LJC,,,,,,,
,,,RTL:A:201,valid,Kd,=,65,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,NA:A:202,invalid,,,,,[Na+],
,,5HBS,,,,,,,
,,,RTL:A:201,valid,Kd,=,18.5,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,6E5T,,,,,,,
,,,HVJ:A:201,valid,Ki,=,236.3,nM,Cc1cc(cc(c1[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)O,
,,5H8T,,,,,,,
,,,RTL:A:201,valid,Kd,=,18.5,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5LJE,,,,,,,
,,,RTL:A:201,valid,Kd,=,250,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,5LJD,,,,,,,
,,,RTL:A:201,valid,Kd,=,70,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,1CRB,,,,,,,
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,RTL:A:200,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,5HA1,,,,,,,
,,,RNE:A:201,valid,Kd,=,64.1,nM,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CN)/C)/C,
,Family. Representative Entry is ,4G4P,,,,,,,
,,,MES:A:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLN:A:302,valid,Kd,=,0.13,uM,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1ZJ6,,,,,,,
,,,G3D:A:190,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,SO4:A:188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1Z6Y,,,,,,,
,,,GDP:A:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:180,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3LA3,,,,,,,
,,,2FT:A:224,valid,,,,,C(CC(C(=O)O)(F)F)C(=O)O,
,,,2FT:B:224,valid,,,,,C(CC(C(=O)O)(F)F)C(=O)O,
,Family. Representative Entry is ,2ZZV,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,LAC:A:401,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:402,valid,,,,,C[C@H](C(=O)O)O,
,,2ZZW,,,,,,,
,,,LAC:A:401,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:402,valid,,,,,C[C@H](C(=O)O)O,
,,,ZN:A:362,Part of Protein,,,,,[Zn+2],
,,,ZN:B:362,Part of Protein,,,,,[Zn+2],
,,2ZZX,,,,,,,
,,,CA:C:701,Part of Protein,,,,,[Ca+2],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,LAC:A:401,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:402,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:C:403,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:D:404,valid,,,,,C[C@H](C(=O)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3I5O,,,,,,,
,,,BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,2O7I,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,4JSO,,,,,,,
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,4JSD,,,,,,,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1YZQ,,,,,,,
,,,GNP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,2GIL,,,,,,,
,,,GTP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:3200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:4200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:B:2201,Part of Protein,,,,,[Mg+2],
,,,MG:C:3201,Part of Protein,,,,,[Mg+2],
,,,MG:D:4201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4UCC,,,,,,,
,,,ZKW:A:301,valid,Kd,=,48,uM,c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O,
,,,ZKW:B:301,valid,Kd,=,48,uM,c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O,
,,4UC9,,,,,,,
,,,ASP PHE:A:1300,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])Cc1ccccc1,
,,,ASP PHE:D:1300,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])Cc1ccccc1,
,,,ASP PHE:C:1300,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])Cc1ccccc1,
,,,ASP PHE:B:1300,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])Cc1ccccc1,
,,,SO4:B:1254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1256,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UC8,,,,,,,
,,,PHE:A:301,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:B:301,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,SO4:B:1255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1256,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1256,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1259,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1PCX,,,,,,,
,,,LEU ALA SER LEU GLU SER GLN SER:B:483,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)C)CO)CC(C)C)CCC(=O)[O-])CO)CCC(=O)N)CO,
,,,ZN:A:950,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1OXV,,,,,,,
,,,ANP:A:1104,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1105,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:1106,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,IOD:A:1201,invalid,,,,,[I-],
,,,IOD:A:1202,invalid,,,,,[I-],
,,,IOD:A:1206,invalid,,,,,[I-],
,,,IOD:A:1216,invalid,,,,,[I-],
,,,IOD:A:1217,invalid,,,,,[I-],
,,,IOD:A:1218,invalid,,,,,[I-],
,,,IOD:A:1219,invalid,,,,,[I-],
,,,IOD:A:1227,invalid,,,,,[I-],
,,,IOD:A:1228,invalid,,,,,[I-],
,,,IOD:A:1229,invalid,,,,,[I-],
,,,IOD:A:1230,invalid,,,,,[I-],
,,,IOD:A:1231,invalid,,,,,[I-],
,,,IOD:A:1232,invalid,,,,,[I-],
,,,IOD:A:1237,invalid,,,,,[I-],
,,,IOD:A:1238,invalid,,,,,[I-],
,,,IOD:B:1207,invalid,,,,,[I-],
,,,IOD:B:1210,invalid,,,,,[I-],
,,,IOD:B:1211,invalid,,,,,[I-],
,,,IOD:B:1212,invalid,,,,,[I-],
,,,IOD:B:1220,invalid,,,,,[I-],
,,,IOD:B:1221,invalid,,,,,[I-],
,,,IOD:B:1223,invalid,,,,,[I-],
,,,IOD:B:1224,invalid,,,,,[I-],
,,,IOD:B:1225,invalid,,,,,[I-],
,,,IOD:B:1226,invalid,,,,,[I-],
,,,IOD:B:1235,invalid,,,,,[I-],
,,,IOD:B:1236,invalid,,,,,[I-],
,,,IOD:D:1203,invalid,,,,,[I-],
,,,IOD:D:1204,invalid,,,,,[I-],
,,,IOD:D:1205,invalid,,,,,[I-],
,,,IOD:D:1208,invalid,,,,,[I-],
,,,IOD:D:1209,invalid,,,,,[I-],
,,,IOD:D:1213,invalid,,,,,[I-],
,,,IOD:D:1214,invalid,,,,,[I-],
,,,IOD:D:1215,invalid,,,,,[I-],
,,,IOD:D:1222,invalid,,,,,[I-],
,,,IOD:D:1233,invalid,,,,,[I-],
,,,IOD:D:1234,invalid,,,,,[I-],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:B:1103,Part of Protein,,,,,[Mg+2],
,,,MG:D:1101,Part of Protein,,,,,[Mg+2],
,,1OXU,,,,,,,
,,,ADP:A:1486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1488,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IOD:A:2003,invalid,,,,,[I-],
,,,IOD:A:2006,invalid,,,,,[I-],
,,,IOD:A:2007,invalid,,,,,[I-],
,,,IOD:A:2009,invalid,,,,,[I-],
,,,IOD:A:2010,invalid,,,,,[I-],
,,,IOD:A:2011,invalid,,,,,[I-],
,,,IOD:A:2016,invalid,,,,,[I-],
,,,IOD:A:2022,invalid,,,,,[I-],
,,,IOD:A:2023,invalid,,,,,[I-],
,,,IOD:A:2050,invalid,,,,,[I-],
,,,IOD:A:2116,invalid,,,,,[I-],
,,,IOD:A:2153,invalid,,,,,[I-],
,,,IOD:A:2165,invalid,,,,,[I-],
,,,IOD:A:2288,invalid,,,,,[I-],
,,,IOD:A:2339,invalid,,,,,[I-],
,,,IOD:A:2387,invalid,,,,,[I-],
,,,IOD:A:2528,invalid,,,,,[I-],
,,,IOD:A:2683,invalid,,,,,[I-],
,,,IOD:A:2816,invalid,,,,,[I-],
,,,IOD:A:2828,invalid,,,,,[I-],
,,,IOD:A:2830,invalid,,,,,[I-],
,,,IOD:A:2832,invalid,,,,,[I-],
,,,IOD:A:2845,invalid,,,,,[I-],
,,,IOD:A:2986,invalid,,,,,[I-],
,,,IOD:B:2002,invalid,,,,,[I-],
,,,IOD:B:2005,invalid,,,,,[I-],
,,,IOD:B:2012,invalid,,,,,[I-],
,,,IOD:B:2015,invalid,,,,,[I-],
,,,IOD:B:2017,invalid,,,,,[I-],
,,,IOD:B:2019,invalid,,,,,[I-],
,,,IOD:B:2021,invalid,,,,,[I-],
,,,IOD:B:2037,invalid,,,,,[I-],
,,,IOD:B:2078,invalid,,,,,[I-],
,,,IOD:B:2198,invalid,,,,,[I-],
,,,IOD:B:2218,invalid,,,,,[I-],
,,,IOD:B:2337,invalid,,,,,[I-],
,,,IOD:B:2386,invalid,,,,,[I-],
,,,IOD:B:2808,invalid,,,,,[I-],
,,,IOD:B:2831,invalid,,,,,[I-],
,,,IOD:C:2001,invalid,,,,,[I-],
,,,IOD:C:2004,invalid,,,,,[I-],
,,,IOD:C:2008,invalid,,,,,[I-],
,,,IOD:C:2013,invalid,,,,,[I-],
,,,IOD:C:2014,invalid,,,,,[I-],
,,,IOD:C:2018,invalid,,,,,[I-],
,,,IOD:C:2020,invalid,,,,,[I-],
,,,IOD:C:2049,invalid,,,,,[I-],
,,,IOD:C:2137,invalid,,,,,[I-],
,,,IOD:C:2233,invalid,,,,,[I-],
,,,IOD:C:2237,invalid,,,,,[I-],
,,,IOD:C:2239,invalid,,,,,[I-],
,,,IOD:C:2253,invalid,,,,,[I-],
,,,IOD:C:2258,invalid,,,,,[I-],
,,,IOD:C:2438,invalid,,,,,[I-],
,,,IOD:C:2536,invalid,,,,,[I-],
,,,IOD:C:2541,invalid,,,,,[I-],
,,,IOD:C:2682,invalid,,,,,[I-],
,,,IOD:C:2809,invalid,,,,,[I-],
,,,IOD:C:2813,invalid,,,,,[I-],
,,,IOD:C:2823,invalid,,,,,[I-],
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,MG:C:1501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4NON,,,,,,,
,,,GDP:B:301,valid,Kd,=,5.71,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:301,valid,Kd,=,5.71,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3B1V,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,GGM:A:300,valid,,,,,CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,3B1W,,,,,,,
,,,GDP:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3B1Y,,,,,,,
,,,GNH:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,3TAH,,,,,,,
,,,BGO:A:300,valid,,,,,CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,BGO:B:300,valid,,,,,CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,3LX5,,,,,,,
,,,AGO:A:300,valid,,,,,CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H](C2=O)n3cnc4c3N=C(NC4=O)N)CO[P@@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5DVI,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,BGC:B:501,valid,Kd,=,0.39,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:501,valid,Kd,=,0.39,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DVJ,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAL:A:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1DRJ,,,,,,,
,,,RIP:A:272,valid,Kd,=,0.04,uM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,1DBP,,,,,,,
,,,RIP:A:272,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,2DRI,,,,,,,
,,,RIP:A:272,valid,Kd,=,0.13,uM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,1DRK,,,,,,,
,,,RIP:A:272,valid,Kd,=,0.15,uM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,1OBV,,,,,,,
,,,FMN:A:1170,valid,Kd,=,1.04,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1171,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1172,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1173,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ESY,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:2431,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2432,invalid,,,,,C(C(CO)O)O,
,,1RCF,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2V5V,,,,,,,
,,,FMN:A:170,valid,Kd,=,4.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:170,valid,Kd,=,4.8,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:171,invalid,,,,,[Mg+2],
,,1OBO,,,,,,,
,,,FMN:A:1170,valid,Kd,=,6.72,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2170,valid,Kd,=,6.72,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1171,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FLV,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ESX,,,,,,,
,,,CA:A:171,Part of Protein,,,,,[Ca+2],
,,,CA:B:171,Part of Protein,,,,,[Ca+2],
,,,CA:B:172,Part of Protein,,,,,[Ca+2],
,,,CL:B:173,invalid,,,,,[Cl-],
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3ESZ,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:B:172,invalid,,,,,C(C(CO)O)O,
,,,MG:A:171,Part of Protein,,,,,[Mg+2],
,,,MG:A:172,Part of Protein,,,,,[Mg+2],
,,,MG:B:171,Part of Protein,,,,,[Mg+2],
,,2V5U,,,,,,,
,,,FMN:A:1170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5LJP,,,,,,,
,,,FMN:A:201,valid,Ka,=,83000000,M^-1,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2HMT,,,,,,,
,,,NAI:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2HMU,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2HMV,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3LHS,,,,,,,
,,,FE:A:500,invalid,,,,,[Fe+3],
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,SF8:A:501,valid,,,,,C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O,
,,3LI2,,,,,,,
,,,ACT:A:14,invalid,,,,,CC(=O)[O-],
,,,FE  SF8:A:500,valid,,,,,,
,,,FE  SF8:B:500,valid,,,,,,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5YH8,,,,,,,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,NI:A:601,invalid,,,,,[Ni+2],
,,,PEG:A:612,invalid,,,,,C(COCCO)O,
,,,PEG:A:613,invalid,,,,,C(COCCO)O,
,,,8UX:A:602,valid,Kd,=,167.8,nM,C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O,
,,5YHG,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,8UX:A:602,valid,Kd,=,952.3,nM,C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O,
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ZN:A:601,invalid,,,,,[Zn+2],
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,CL:A:609,invalid,,,,,[Cl-],
,,5YHE,,,,,,,
,,,8UX:B:602,valid,Kd,=,203.3,nM,C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O,
,,,8UX:A:604,valid,Kd,=,203.3,nM,C[C@@H](C(=O)O)N[C@@H](CCN[C@H](Cc1c[nH]cn1)C(=O)O)C(=O)O,
,,,CO:B:603,invalid,,,,,[Co+2],
,,,CO:A:605,invalid,,,,,[Co+2],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2I7O,,,,,,,
,,,CU:A:901,Part of Protein,,,,,[Cu+2],
,,,REQ:A:801,valid,,,,,CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C3C)(C#O)(C#O)C#O,
,,1I53,,,,,,,
,,,CU:A:901,Part of Protein,,,,,[Cu+2],
,,,CU:B:902,Part of Protein,,,,,[Cu+2],
,,,DPT:A:904,valid,,,,,Cc1ccnc2c1ccc3c2nccc3C,
,,,DPT:B:906,valid,,,,,Cc1ccnc2c1ccc3c2nccc3C,
,,,RTC:A:903,invalid,,,,,C(#O)[Re](C#O)C#O,
,,,RTC:B:905,invalid,,,,,C(#O)[Re](C#O)C#O,
,Family. Representative Entry is ,4RA1,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,BNX:A:602,valid,Kd,=,0.43,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,ALX:A:601,valid,Kd,=,0.43,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OP(=O)(O)O)O)O)O,
,,4ZEK,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,TOE:A:604,invalid,,,,,COCCOCCOCCO,
,,,LAH:A:601,valid,,,,,CC(C)OP(=O)(O)O[C@@H]1[C@H]([C@H](CO[C@H]1O)O)O,
,,4ZEI,,,,,,,
,,,LAO:A:601,valid,Kd,=,1.33,uM,C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OP(=O)(O)O)O)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,4ZED,,,,,,,
,,,AGW:A:601,valid,,,,,c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)O)O)O)CO)OP(=O)(O)O[C@@H]4[C@H]([C@H](CO[C@H]4O)O)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,6I7W,,,,,,,
,,,H6Z:A:602,valid,Kd,=,2,uM,C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NA:A:603,invalid,,,,,[Na+],
,,,H6Q:A:601,valid,Kd,=,2,uM,C[C@@H](C(O)O)OP(=O)(O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4ZEB,,,,,,,
,,,PEG:B:602,invalid,,,,,C(COCCO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,ARA TT7 4GL:C:1,valid,,,,,P(=O)(OC1C(O)C(O)COC1O)(OC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)OC1CO)[O-],
,,,ARA TT7 4GL:D:1,valid,,,,,P(=O)(OC1C(O)C(O)COC1O)(OC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)OC1CO)[O-],
,,4ZEC,,,,,,,
,,,C84:A:601,valid,,,,,CC(C)[C@@H]([C@H](C(=O)NP(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)O)O)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1VYF,,,,,,,
,,,OLA:A:1134,valid,Kd,=,9,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,1VYG,,,,,,,
,,,ACD:A:1134,valid,Kd,=,10,nM,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,Family. Representative Entry is ,3K3G,,,,,,,
,,,AU:A:338,invalid,,,,,[Au+],
,,,AU:A:339,invalid,,,,,[Au+],
,,,AU:A:340,invalid,,,,,[Au+],
,,,AU:A:341,invalid,,,,,[Au+],
,,,AU:A:342,invalid,,,,,[Au+],
,,,AU:A:343,invalid,,,,,[Au+],
,,,AU:A:344,invalid,,,,,[Au+],
,,,AU:A:345,invalid,,,,,[Au+],
,,,AU:A:346,invalid,,,,,[Au+],
,,,MMU:A:347,valid,ic50,=,1.4,mM,CNC(=O)NC,
,,,MMU:A:348,valid,ic50,=,1.4,mM,CNC(=O)NC,
,Family. Representative Entry is ,1JS8,,,,,,,
,,,CUO:A:888,Part of Protein,,,,,O1[Cu]O[Cu]1,
,,,CUO:B:999,Part of Protein,,,,,O1[Cu]O[Cu]1,
,,,MAN:A:992,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN BMA:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)CO1)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NDG NAG BMA BMA MAN MAN MAN:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,1Z0A,,,,,,,
,,,GDP:A:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:3200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:4200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:B:2201,Part of Protein,,,,,[Mg+2],
,,,MG:C:3201,Part of Protein,,,,,[Mg+2],
,,,MG:D:4201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1NRJ,,,,,,,
,,,EDO:B:3001,invalid,,,,,C(CO)O,
,,,GTP:B:1001,valid,Kd,=,38,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:2,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6TFX,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:B:605,invalid,,,,,[Mg+2],
,,,N72:A:601,valid,Kd,=,2.1,nM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,N72:B:601,valid,Kd,=,2.1,nM,C(CC(=O)O)[C@H](C(=O)O)NCC(=O)[C@@H]([C@@H]([C@H](CO)O)O)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6I5V,,,,,,,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,invalid,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,BMA BMA BMA:B:1,valid,Kd,=,0.000000064,M,,
,,6I5R,,,,,,,
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:514,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:511,Part of Protein,,,,,[Zn+2],
,,,ZN:A:515,invalid,,,,,[Zn+2],
,,,ZN:A:516,Part of Protein,,,,,[Zn+2],
,,,ZN:A:512,Part of Protein,,,,,[Zn+2],
,,,ZN:A:513,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,BMA BMA:B:1,valid,Kd,=,0.000000064,M,,
,,6I5W,,,,,,,
,,,ZN:A:719,Part of Protein,,,,,[Zn+2],
,,,ZN:A:729,Part of Protein,,,,,[Zn+2],
,,,ZN:A:720,Part of Protein,,,,,[Zn+2],
,,,ZN:A:718,Part of Protein,,,,,[Zn+2],
,,,ZN:A:727,Part of Protein,,,,,[Zn+2],
,,,ZN:A:728,Part of Protein,,,,,[Zn+2],
,,,ZN:A:713,Part of Protein,,,,,[Zn+2],
,,,ZN:A:723,Part of Protein,,,,,[Zn+2],
,,,ZN:A:716,Part of Protein,,,,,[Zn+2],
,,,ZN:A:714,Part of Protein,,,,,[Zn+2],
,,,ZN:A:724,Part of Protein,,,,,[Zn+2],
,,,ZN:A:722,Part of Protein,,,,,[Zn+2],
,,,ZN:A:721,Part of Protein,,,,,[Zn+2],
,,,ZN:A:717,invalid,,,,,[Zn+2],
,,,ZN:A:726,Part of Protein,,,,,[Zn+2],
,,,ZN:A:715,Part of Protein,,,,,[Zn+2],
,,,ZN:A:725,Part of Protein,,,,,[Zn+2],
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:706,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,BMA BMA BMA BMA BMA:B:1,valid,Kd,=,0.000000064,M,,
,Family. Representative Entry is ,5WXU,,,,,,,
,,,PO4:F:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IAC:A:507,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:D:506,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:B:506,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,FLC:F:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:502,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:503,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:504,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:504,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:506,invalid,,,,,C(C(CO)O)O,
,,,PEG:D:505,invalid,,,,,C(COCCO)O,
,,,PEG:F:505,invalid,,,,,C(COCCO)O,
,,,PEG:E:506,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2REG,,,,,,,
,,,CHT:A:1,valid,Kd,=,2.3,uM,C[N+](C)(C)CCO,
,,,CHT:B:1,valid,Kd,=,2.3,uM,C[N+](C)(C)CCO,
,,2RIN,,,,,,,
,,,ACH:A:1,valid,Kd,=,100,uM,CC(=O)OCC[N+](C)(C)C,
,,,ACH:B:1,valid,Kd,=,100,uM,CC(=O)OCC[N+](C)(C)C,
,Family. Representative Entry is ,1YZG,,,,,,,
,,,GDP:A:181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6HUR,,,,,,,
,,,PG0:A:501,valid,,,,,COCCOCCO,
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,MES:A:511,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:512,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC GAL BGC FUC:B:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6HUS,,,,,,,
,,,MES:A:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ZN:A:510,Part of Protein,,,,,[Zn+2],
,,,ZN:A:508,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:509,Part of Protein,,,,,[Zn+2],
,,,GLC BGC FUC GAL:B:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC(O)C1O)C1C(O)C(O)C(O)C(C)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3TTN,,,,,,,
,,,SPD:A:363,valid,Kd,=,14.3,nM,C(CCNCCCN)CN,
,,,SPD:B:363,valid,Kd,=,14.3,nM,C(CCNCCCN)CN,
,Family. Representative Entry is ,7BVT,,,,,,,
,,,GLC GLC GLC:B:1,valid,Kd,=,9.6,nM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1Y2A,,,,,,,
,,,GLY LYS ILE SER LYS HIS TRP THR GLY ILE:P:1,valid,Kd,~,45.8,nM,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CCCC[NH3+])C(CC)C)CO)CCCC[NH3+])Cc1nc[nH]c1)Cc1c2c([nH]c1)cccc2)C(O)C)C(CC)C,
,,4U54,,,,,,,
,,,3C5:A:501,valid,Kd,=,8.7,mM,CNCc1cccc(c1)c2cccnc2,
,,4U5U,,,,,,,
,,,3D2:A:501,valid,Kd,=,1.3,mM,c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N,
,,,3D2:A:502,valid,Kd,=,1.3,mM,c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N,
,,4U5V,,,,,,,
,,,RH2:A:502,valid,Kd,=,0.9,mM,c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N,
,,,RH2:A:501,valid,Kd,=,0.9,mM,c1cc(cnc1)c2ccc(s2)CN[C@@H](CCCCN)C(=O)N,
,,4U5N,,,,,,,
,,,3D4:A:501,valid,Kd,=,3.3,mM,C[C@H]([C@@H]([C@H](N[C@H](Cc1ccccc1)C(=O)N)O)NC(=O)CNC(=O)[C@H](CCCCN)NCc2ccc(cc2)c3cccnc3)O,
,,4U5O,,,,,,,
,,,3D5:A:501,valid,Kd,=,3.8,mM,c1cc(cnc1)c2ccc(cc2)CN[C@H](CCCCN)C(=O)N,
,,4U5S,,,,,,,
,,,3D0:A:502,valid,Kd,=,3.9,mM,C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O,
,,,3D0:A:501,valid,Kd,=,3.9,mM,C[C@@H]([C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N)NC[C@@H](COCc2cccnc2)NC(=O)[C@@H](CCCCN)NC(=O)C)O,
,Family. Representative Entry is ,4R74,,,,,,,
,,,TRS:B:407,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:405,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:406,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,F6P:A:401,valid,Kd,=,8,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:D:401,valid,Kd,=,8,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:C:401,valid,Kd,=,8,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,F6P:B:401,valid,Kd,=,8,nM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,MG:B:408,invalid,,,,,[Mg+2],
,,,MG:D:407,invalid,,,,,[Mg+2],
,,,MG:D:406,Part of Protein,,,,,[Mg+2],
,,4R75,,,,,,,
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,,,S7P:A:401,valid,Kd,=,57,nM,C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4R73,,,,,,,
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,G6P:B:401,valid,Kd,=,23,nM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:A:401,valid,Kd,=,23,nM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,M6P:A:402,valid,Kd,=,960,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:402,valid,Kd,=,960,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,4YMU,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:J:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ARG:D:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,5O2J,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,2PO:A:301,valid,Kd,=,0.24,uM,[O-]P(=O)[O-],
,,5O37,,,,,,,
,,,GB:A:301,valid,Kd,=,40.64,uM,CP(=O)(O)O,
,Family. Representative Entry is ,4YMX,,,,,,,
,,,ARG:B:301,valid,Kd,=,79,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:301,valid,Kd,=,79,nM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,1M2O,,,,,,,
,,,GNP:B:5200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:7200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:210,Part of Protein,,,,,[Mg+2],
,,,MG:D:210,Part of Protein,,,,,[Mg+2],
,,,ZN:A:800,Part of Protein,,,,,[Zn+2],
,,,ZN:C:800,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1QY1,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,PRZ:A:300,valid,Kd,=,0.3,uM,CC(C)Cc1c(nccn1)OC,
,,1ZNH,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:A:415,invalid,,,,,[Cd+2],
,,,CD:A:416,invalid,,,,,[Cd+2],
,,,OC9:A:401,valid,,,,,CCCCCCCCO,
,,1JV4,,,,,,,
,,,CD:A:163,invalid,,,,,[Cd+2],
,,,CD:A:164,invalid,,,,,[Cd+2],
,,,CD:A:165,invalid,,,,,[Cd+2],
,,,CD:A:166,invalid,,,,,[Cd+2],
,,,CD:A:167,invalid,,,,,[Cd+2],
,,,CD:A:168,invalid,,,,,[Cd+2],
,,,CD:A:169,invalid,,,,,[Cd+2],
,,,TZL:A:170,valid,,,,,CC[C@@H](C)c1nccs1,
,,1ZNE,,,,,,,
,,,CD:A:198,invalid,,,,,[Cd+2],
,,,CD:A:199,invalid,,,,,[Cd+2],
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,HE2:A:500,valid,,,,,CCCCCCO,
,,1ZNL,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,DE1:A:400,valid,,,,,CCCCCCCCCCO,
,,2DM5,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:311,invalid,,,,,[Cd+2],
,,,ODI:A:312,valid,Kd,=,1011.8,uM,C(CCCCO)CCCO,
,,1ZND,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,PE9:A:202,valid,,,,,CCCCCO,
,,,PE9:A:203,valid,,,,,CCCCCO,
,,1ZNG,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,HE4:A:202,valid,,,,,CCCCCCCO,
,,1QY2,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,IPZ:A:300,valid,Kd,=,1.8,uM,CC(C)c1c(nccn1)OC,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,2NND,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:373,invalid,,,,,[Cd+2],
,,,PRZ:A:300,valid,Kd,=,0.87,uM,CC(C)Cc1c(nccn1)OC,
,,1MUP,,,,,,,
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,TZL:A:167,valid,,,,,CC[C@@H](C)c1nccs1,
,,1YP6,,,,,,,
,,,CD:A:200,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,PRZ:A:203,valid,Kd,=,0.47,uM,CC(C)Cc1c(nccn1)OC,
,Family. Representative Entry is ,1VG8,,,,,,,
,,,GNP:A:1400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:2400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:C:3400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:4400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1401,Part of Protein,,,,,[Mg+2],
,,,MG:B:2401,Part of Protein,,,,,[Mg+2],
,,,MG:C:3401,Part of Protein,,,,,[Mg+2],
,,,MG:D:4401,Part of Protein,,,,,[Mg+2],
,,1T91,,,,,,,
,,,GTP:A:1401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:1403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:1404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1302,Part of Protein,,,,,[Mg+2],
,,,MG:C:1303,Part of Protein,,,,,[Mg+2],
,,,MG:D:1304,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4PFW,,,,,,,
,,,MAN MAN BMA BMA BMA BMA:C:1,valid,Kd,=,0.006,uM,,
,,,MAN MAN BMA BMA BMA BMA:D:1,valid,Kd,=,0.006,uM,,
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,4PFU,,,,,,,
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,BMA BMA:D:1,valid,Kd,=,0.67,uM,,
,,,BMA BMA:C:1,valid,Kd,=,0.67,uM,,
,Family. Representative Entry is ,6TFS,,,,,,,
,,,CL:A:610,invalid,,,,,[Cl-],
,,,N7T:B:601,valid,Kd,=,29.2,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,N7T:A:601,valid,Kd,=,29.2,nM,C(CC(=O)O)[C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OFJ,,,,,,,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:503,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,NI:A:501,invalid,,,,,[Ni+2],
,,,EPE:A:504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4XKN,,,,,,,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:503,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,NI:A:501,invalid,,,,,[Ni+2],
,,,EPE:A:504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4XKR,,,,,,,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,NA:A:523,Part of Protein,,,,,[Na+],
,,,NI:A:501,invalid,,,,,[Ni+2],
,,,41K:A:503,valid,,,,,C[C@]1(N[C@@H](CS1)C(=O)O)C(=O)O,
,,,EPE:A:504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4XKP,,,,,,,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:506,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NI:A:501,invalid,,,,,[Ni+2],
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:503,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,4XKQ,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,EPE:A:505,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NI:A:501,invalid,,,,,[Ni+2],
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:503,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1X0P,,,,,,,
,,,FAD:A:9150,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:9151,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:9152,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:9153,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:9154,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:9155,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:9156,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:9157,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:9158,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:9159,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2FCR,,,,,,,
,,,FMN:A:174,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2VK2,,,,,,,
,,,GZL:A:1298,valid,Kd,=,0.13,uM,C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5YQW,,,,,,,
,,,P4G:A:601,invalid,,,,,CCOCCOCCOCC,
,,,P4G:A:602,invalid,,,,,CCOCCOCCOCC,
,,,NI:A:603,invalid,,,,,[Ni+2],
,,,NAG NAG:B:1,valid,Kd,=,31,nM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1VG0,,,,,,,
,,,CL:A:3001,invalid,,,,,[Cl-],
,,,GDP:B:1557,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GER:A:952,valid,Kd,=,0.8,nM,CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,MG:B:3000,Part of Protein,,,,,[Mg+2],
,,,PG4:B:5502,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,4Y9T,,,,,,,
,,,PA1:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,5BR1,,,,,,,
,,,X6X:A:401,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,Family. Representative Entry is ,1VG9,,,,,,,
,,,GDP:B:2302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:2300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:2305,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:H:2303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:B:3303,Part of Protein,,,,,[K+],
,,,K:D:3305,Part of Protein,,,,,[K+],
,,,K:F:3307,Part of Protein,,,,,[K+],
,,,K:H:3309,Part of Protein,,,,,[K+],
,,,MG:B:2307,Part of Protein,,,,,[Mg+2],
,,,MG:D:2301,Part of Protein,,,,,[Mg+2],
,,,MG:F:2306,Part of Protein,,,,,[Mg+2],
,,,MG:H:2304,Part of Protein,,,,,[Mg+2],
,,,P33:B:3302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:D:3304,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:F:3306,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:H:3308,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4EZD,,,,,,,
,,,BGC:A:403,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:404,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:403,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:404,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:405,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:403,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:404,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:405,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BOG:A:405,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:406,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:407,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:406,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:407,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:406,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:407,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:408,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:409,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:410,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SEY:A:401,valid,,,,,C(=[Se])(N)N,
,,,SEY:A:402,valid,,,,,C(=[Se])(N)N,
,,,SEY:B:401,valid,,,,,C(=[Se])(N)N,
,,,SEY:B:402,valid,,,,,C(=[Se])(N)N,
,,,SEY:C:401,valid,,,,,C(=[Se])(N)N,
,,,SEY:C:402,valid,,,,,C(=[Se])(N)N,
,,,SPL:A:408,invalid,,,,,CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O,
,,,SPL:A:409,invalid,,,,,CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O,
,,,SPL:B:408,invalid,,,,,CCCCCCCCCCCCCC=C[C@H](C(CO)NC(=O)CCCCCCC)O,
,Family. Representative Entry is ,3VV5,,,,,,,
,,,SLZ:A:300,valid,,,,,C(CSC[C@@H](C(=O)O)N)N,
,,,SLZ:B:301,valid,,,,,C(CSC[C@@H](C(=O)O)N)N,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VVE,,,,,,,
,,,LYS:A:301,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,LYS:B:300,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VVF,,,,,,,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ARG:B:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,3VVD,,,,,,,
,,,ORN:A:300,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:300,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,2WJG,,,,,,,
,,,ALA ALA ALA ALA ALA ALA ALA:C:9,invalid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)C)C)C)C)C,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4XZ6,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,TRS:B:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,TMO:A:401,valid,Kd,=,1.6,uM,C[N+](C)(C)[O-],
,,,TMO:B:401,valid,Kd,=,1.6,uM,C[N+](C)(C)[O-],
,Family. Representative Entry is ,1K2V,,,,,,,
,,,DEF:N:1,valid,Kd,=,36,uM,CCC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCNOS(=O)(=O)C,
,,1ESZ,,,,,,,
,,,CPO:A:500,valid,Kd,=,0.3,uM,C/C/1=CC2=O[Fe]345(O=C(N(O3)CCC[C@H]6C(=O)N[C@@H](CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC[C@H](C(=O)OCC1)NC(=O)C)C=C(C)CCO,
,,1EFD,,,,,,,
,,,GCR:N:503,valid,,,,,CC1=O[Ga]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C,
,Family. Representative Entry is ,7C68,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,SO3:A:505,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:504,invalid,,,,,[O-]S(=O)[O-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CO2:A:507,invalid,,,,,C(=O)=O,
,,,BGC BGC BGC BGC:C:1,valid,Kd,=,0.13,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:D:1,valid,Kd,=,0.13,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,SO2:A:503,invalid,,,,,O=S=O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7C6T,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CO2:A:503,invalid,,,,,C(=O)=O,
,,,CO2:A:502,invalid,,,,,C(=O)=O,
,,,BGC BGC BGC:B:1,valid,Kd,=,39.3,uM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,7C6M,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,BGC BGC BGC BGC:B:1,valid,Kd,=,26.9,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,7C6L,,,,,,,
,,,GLC SHD Z6H:D:1,valid,,,,,,
,,,GLC SHD Z6H:C:1,valid,,,,,,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CO2:B:502,invalid,,,,,C(=O)=O,
,,,NA:A:504,invalid,,,,,[Na+],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,7C66,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,SO3:A:503,invalid,,,,,[O-]S(=O)[O-],
,,,GLC BGC:C:1,valid,Kd,=,0.13,uM,,
,,,GLC BGC:D:1,valid,Kd,=,0.13,uM,,
,,,SO2:B:502,invalid,,,,,O=S=O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,7C6R,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,7C6K,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,POP:A:506,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,BGC BGC BGC:B:1,valid,Kd,=,28.7,uM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,7C70,,,,,,,
,,,CO2:A:503,invalid,,,,,C(=O)=O,
,,,CO2:B:503,invalid,,,,,C(=O)=O,
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:508,invalid,,,,,C[C@@H](CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,BGC BGC:C:1,valid,Kd,=,16313.2,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Kd,=,16313.2,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,IMD:B:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,SO2:B:502,invalid,,,,,O=S=O,
,,,SO2:B:501,invalid,,,,,O=S=O,
,,,SO2:A:501,invalid,,,,,O=S=O,
,,,PEG:B:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PO4:B:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO3:A:502,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7C6J,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,GLC BGC:C:1,valid,,,,,,
,,,GLC BGC:D:1,valid,,,,,,
,,,FJO:B:503,valid,,,,,C(CO)C(O)(O)O,
,,,SO2:A:502,invalid,,,,,O=S=O,
,,,SO2:B:502,invalid,,,,,O=S=O,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,7C6G,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,PGO:A:504,invalid,,,,,C[C@@H](CO)O,
,,,CO2:B:502,invalid,,,,,C(=O)=O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,BGC BGC:C:1,valid,Kd,=,4385,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Kd,=,4385,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,SO3:B:504,invalid,,,,,[O-]S(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7C69,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,BGC BGC:C:1,valid,Kd,=,5.4,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Kd,=,5.4,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,7C6N,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,SO3:A:503,invalid,,,,,[O-]S(=O)[O-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,FJO:B:503,valid,,,,,C(CO)C(O)(O)O,
,,,FJO:A:505,valid,,,,,C(CO)C(O)(O)O,
,,,BGC BGC BGC BGC:D:1,invalid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,7C6I,,,,,,,
,,,CO2:A:503,invalid,,,,,C(=O)=O,
,,,CO2:A:502,invalid,,,,,C(=O)=O,
,,,BU2:B:504,invalid,,,,,C[C@@H](CCO)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC:C:1,valid,Kd,=,334,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Kd,=,334,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,SO2:A:501,invalid,,,,,O=S=O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,7C6H,,,,,,,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,PGO:B:505,invalid,,,,,C[C@@H](CO)O,
,,,BGC BGC:C:1,valid,Kd,=,450,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,Kd,=,450,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,7C67,,,,,,,
,,,CO3:A:509,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:508,invalid,,,,,C(=O)([O-])[O-],
,,,CO3:A:510,invalid,,,,,C(=O)([O-])[O-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,SO2:A:504,invalid,,,,,O=S=O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:503,invalid,,,,,[Na+],
,,,NA:B:502,invalid,,,,,[Na+],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,GLC BGC BGC:D:1,valid,Kd,=,0.24,uM,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:C:1,valid,Kd,=,0.24,uM,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,7C6W,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CO3:A:503,invalid,,,,,C(=O)([O-])[O-],
,,,SO2:A:502,invalid,,,,,O=S=O,
,,,BGC BGC BGC BGC:B:1,valid,Kd,=,51.8,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,PO4:A:506,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5L9O,,,,,,,
,,,GOP:B:301,valid,Kd,=,4,uM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,GOP:A:301,valid,Kd,=,4,uM,C(CC(=O)N)[C@@H](C(=O)O)NC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,CA:B:306,invalid,,,,,[Ca+2],
,,,CA:A:308,invalid,,,,,[Ca+2],
,,5LOM,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,SNW:A:301,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O,
,,,SNW:B:301,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(CN[C@@H](CCC(=O)N)C(=O)O)O)O)O)O,
,Family. Representative Entry is ,1IIU,,,,,,,
,,,CD:A:177,invalid,,,,,[Cd+2],
,,,RTL:A:176,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,Family. Representative Entry is ,3B9Z,,,,,,,
,,,BOG:A:1,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:419,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CO2:A:420,valid,,,,,C(=O)=O,
,,,UNL:A:421,invalid,,,,,NULL,
,Family. Representative Entry is ,4DZ1,,,,,,,
,,,DAL:A:301,valid,,,,,C[C@H](C(=O)O)N,
,Family. Representative Entry is ,3EKI,,,,,,,
,,,BR:A:603,invalid,,,,,[Br-],
,,,BR:A:604,invalid,,,,,[Br-],
,,,BR:A:605,invalid,,,,,[Br-],
,,,BR:A:606,invalid,,,,,[Br-],
,,,BR:A:607,invalid,,,,,[Br-],
,,,BR:A:608,invalid,,,,,[Br-],
,,,BR:A:609,invalid,,,,,[Br-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,TPP:A:551,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3E79,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,I3C:A:500,invalid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,I3C:A:501,invalid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,TPP:A:551,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,3E78,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,TPP:A:551,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,1R5L,,,,,,,
,,,VIV:A:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,1OIP,,,,,,,
,,,SO4:A:1276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1277,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VIV:A:1278,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,Family. Representative Entry is ,1ZD9,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,2AL7,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1XK5,,,,,,,
,,,TPG:A:400,valid,Kd,=,1,uM,CN1CN(C2=C1C(=O)NC(=N2)N(C)C)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,Family. Representative Entry is ,2WIC,,,,,,,
,,,GNP:A:1265,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1266,Part of Protein,,,,,[Mg+2],
,,,MG:A:1267,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6HNI,,,,,,,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,TYR:A:401,valid,Kd,=,94,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,6M96,,,,,,,
,,,LDA:B:328,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:315,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:302,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:314,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:324,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:318,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:320,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:313,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:301,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:317,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:321,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:316,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:327,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:304,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:301,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:325,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:312,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:326,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:319,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:303,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:331,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:323,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:322,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:330,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:329,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,SO4:B:334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEE:A:311,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,PG4:A:310,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:309,invalid,,,,,C(COCCOCCOCCO)O,
,,,P4G:B:335,invalid,,,,,CCOCCOCCOCC,
,,,ATP:A:308,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1D2N,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,MG:A:99,Part of Protein,,,,,[Mg+2],
,,1NSF,,,,,,,
,,,ATP:A:858,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:859,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1EXB,,,,,,,
,,,NDP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2HZL,,,,,,,
,,,NA:A:500,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,PYR:A:601,valid,Kd,=,270,nM,CC(=O)C(=O)O,
,,,PYR:B:602,valid,Kd,=,270,nM,CC(=O)C(=O)O,
,,,PYR:B:603,valid,Kd,=,270,nM,CC(=O)C(=O)O,
,Family. Representative Entry is ,1IQ7,,,,,,,
,,,NAG:A:705,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1I06,,,,,,,
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,TZL:A:405,valid,,,,,CC[C@@H](C)c1nccs1,
,,1I05,,,,,,,
,,,CD:A:401,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:407,invalid,,,,,[Cd+2],
,,,LTL:A:408,valid,,,,,CCC(=O)CCC(C)(C)O,
,Family. Representative Entry is ,1LCF,,,,,,,
,,,CO3:A:695,invalid,,,,,C(=O)([O-])[O-],
,,,CU:A:693,Part of Protein,,,,,[Cu+2],
,,,CU:A:694,Part of Protein,,,,,[Cu+2],
,,,NAG:A:990,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OXL:A:696,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1BKA,,,,,,,
,,,FE:A:693,Part of Protein,,,,,[Fe+3],
,,,FE:A:694,Part of Protein,,,,,[Fe+3],
,,,OXL:A:695,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:696,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,4R98,,,,,,,
,,,GNH:A:300,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6PYA,,,,,,,
,,,P57:A:301,valid,ic50,=,150,nM,c1ccc(cc1)c2c(c3ccccc3[nH]2)Cn4ccnc4,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,6PYF,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,EST:A:302,valid,,,,,C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O,
,,1F5F,,,,,,,
,,,CA:A:250,Part of Protein,,,,,[Ca+2],
,,,DHT:A:253,valid,,,,,C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C,
,,,IPA:A:254,invalid,,,,,CC(C)O,
,,,ZN:A:251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:252,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7A5Q,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:416,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,SLB:B:401,valid,Kd,=,300,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:A:301,valid,Kd,=,300,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,PGE:A:310,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:417,invalid,,,,,C(COCCOCCO)O,
,,,BGC:B:418,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1Z0J,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,TRS:A:1001,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1CZR,,,,,,,
,,,FMN:A:170,valid,Kd,=,1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1D03,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1CZK,,,,,,,
,,,FMN:A:170,valid,Kd,=,1.5,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1CZN,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1D04,,,,,,,
,,,FMN:A:170,valid,Ka,=,38000,M^-1,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1CZU,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1OFV,,,,,,,
,,,FMN:A:170,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1CZL,,,,,,,
,,,FMN:A:170,valid,Ka,=,1400000000,M^-1,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1CZH,,,,,,,
,,,FMN:A:170,valid,Ka,=,3500000000,M^-1,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:172,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CZO,,,,,,,
,,,FMN:A:170,valid,Ka,=,35000,M^-1,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:171,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2XZ3,,,,,,,
,,,CL:A:1495,invalid,,,,,[Cl-],
,,,EDO:A:1489,invalid,,,,,C(CO)O,
,,,EDO:A:1490,invalid,,,,,C(CO)O,
,,,EDO:A:1491,invalid,,,,,C(CO)O,
,,,EDO:A:1492,invalid,,,,,C(CO)O,
,,,EDO:A:1493,invalid,,,,,C(CO)O,
,,,EDO:A:1494,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6YZ0,,,,,,,
,,,2CV:A:304,invalid,,,,,CCCCCCCCCC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O,
,,,NA:A:302,invalid,,,,,[Na+],
,,,NA:A:303,invalid,,,,,[Na+],
,,,NA:A:301,invalid,,,,,[Na+],
,,,CD0:A:306,valid,,,,,CCCCCc1cc(c(c(c1)O)[C@@H]2C[C@H](CC[C@H]2C(=C)C)C)O,
,,,12P:A:305,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,2VHA,,,,,,,
,,,GLU:A:1280,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:1280,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,TRS:A:1281,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1281,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3A1S,,,,,,,
,,,GDP:A:1,valid,Kd,=,14.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2,valid,Kd,=,14.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,MPD:A:6,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:7,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:5,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,3A1U,,,,,,,
,,,GNP:A:1,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:2,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:5,Part of Protein,,,,,[Mg+2],
,,,MG:A:6,Part of Protein,,,,,[Mg+2],
,,,MG:B:7,Part of Protein,,,,,[Mg+2],
,,,MRD:A:3,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:4,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,3A1T,,,,,,,
,,,GDP:A:1,valid,Kd,=,14.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4H07,,,,,,,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPH:A:202,valid,,,,,c1ccc(cc1)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KD1,,,,,,,
,,,3QM:A:206,valid,,,,,C[C@H](Cc1ccccc1)N=O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3U3E,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,IPH:A:202,valid,,,,,c1ccc(cc1)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NXC,,,,,,,
,,,N2O:A:207,invalid,,,,,N#[N+][O-],
,,,N2O:A:209,valid,,,,,N#[N+][O-],
,,,N2O:A:208,valid,,,,,N#[N+][O-],
,,,N2O:A:210,valid,,,,,N#[N+][O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,1GYB,,,,,,,
,,,ASP SER GLY PHE SER PHE GLY SER LYS:E:42,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)CO,
,,,ASP SER GLY PHE SER PHE GLY SER LYS:F:43,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)CO,
,,,ASP SER GLY PHE SER PHE GLY SER LYS:G:42,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)CO,
,,,ASP SER GLY PHE SER PHE GLY SER LYS:H:43,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CN)Cc1ccccc1)CO,
,Family. Representative Entry is ,3G3R,,,,,,,
,,,ANP:A:1000,valid,Kd,=,0.33,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1000,valid,Kd,=,0.33,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1L0I,,,,,,,
,,,CAC:A:1003,invalid,,,,,C[As](=O)(C)[O-],
,,,NA:A:1001,invalid,,,,,[Na+],
,,,PSR:A:78,valid,,,,,CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)O)O,
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1004,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1005,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1006,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1007,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1008,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1009,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1FLM,,,,,,,
,,,FMN:A:123,valid,Kd,=,0.43,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:123,valid,Kd,=,0.43,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3A20,,,,,,,
,,,FMN:A:123,valid,Kd,=,1.12,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:123,valid,Kd,=,1.12,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1WLK,,,,,,,
,,,FMN:A:1123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:3123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:4123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3A6Q,,,,,,,
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:B:2002,invalid,,,,,[Cl-],
,,,FMN:A:123,valid,Kd,=,0.9,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:123,valid,Kd,=,0.9,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1WLI,,,,,,,
,,,FMN:A:1123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2123,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3A6R,,,,,,,
,,,CL:A:2002,invalid,,,,,[Cl-],
,,,CL:C:2001,invalid,,,,,[Cl-],
,,,CL:D:2003,invalid,,,,,[Cl-],
,,,FMN:A:123,valid,Kd,=,1.39,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:123,valid,Kd,=,1.39,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:123,valid,Kd,=,1.39,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:123,valid,Kd,=,1.39,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1YVD,,,,,,,
,,,GNP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1G6H,,,,,,,
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MMC:A:900,invalid,,,,,C[Hg+],
,Family. Representative Entry is ,4MRS,,,,,,,
,,,LDA:A:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:709,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:710,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:709,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:708,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:708,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GDS:B:703,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:A:703,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1Z06,,,,,,,
,,,GNP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OO6,,,,,,,
,,,GAL:A:405,valid,Kd,=,9.8,nM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:405,valid,Kd,=,9.8,nM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ME4,,,,,,,
,,,HP4:A:302,invalid,,,,,[O-][PH2]=O,
,,,HP4:A:301,valid,,,,,[O-][PH2]=O,
,Family. Representative Entry is ,6H7D,,,,,,,
,,,OLC:A:606,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:604,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:607,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:603,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:605,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,P33:A:601,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,BGC:A:600,valid,Kd,=,3.2,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1FK5,,,,,,,
,,,FMT:A:301,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:310,invalid,,,,,C(=O)O,
,,,OLA:A:201,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,1FK1,,,,,,,
,,,DAO:A:201,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,FMT:A:202,invalid,,,,,C(=O)O,
,,,FMT:A:205,invalid,,,,,C(=O)O,
,,,FMT:A:206,invalid,,,,,C(=O)O,
,,1FK2,,,,,,,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,MYR:A:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1FK3,,,,,,,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,PAM:A:201,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,1MZM,,,,,,,
,,,FMT:A:210,invalid,,,,,C(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1FK4,,,,,,,
,,,FMT:A:202,invalid,,,,,C(=O)O,
,,,FMT:A:206,invalid,,,,,C(=O)O,
,,,STE:A:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,1FK0,,,,,,,
,,,DKA:A:201,valid,,,,,CCCCCCCCCC(=O)O,
,,,FMT:A:202,invalid,,,,,C(=O)O,
,,,FMT:A:206,invalid,,,,,C(=O)O,
,,1FK7,,,,,,,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,RCL:A:201,valid,,,,,CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O,
,,1FK6,,,,,,,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,LNL:A:1201,valid,,,,,CCC=CCC=CCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,6JB0,,,,,,,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PDO:A:506,invalid,,,,,C(CO)CO,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC GLC:B:1,valid,Kd,=,0.058,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JBE,,,,,,,
,,,GLC:A:501,valid,Kd,=,19.8,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,CO2:A:507,invalid,,,,,C(=O)=O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6JAI,,,,,,,
,,,CIT:A:503,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CA:A:501,invalid,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JAD,,,,,,,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,Z9N GLC:B:1,valid,Kd,=,48.3,uM,O(CC1C(O)C(O)C(O)(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,6JAO,,,,,,,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,Z9N GLC:B:1,valid,Kd,=,13.8,uM,O(CC1C(O)C(O)C(O)(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,6JBB,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CO3:A:506,invalid,,,,,C(=O)([O-])[O-],
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC FRU:B:1,valid,Kd,=,1.03,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6JAP,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GLC FRU:B:1,valid,Kd,=,16.02,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6JAG,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC FRU:B:1,valid,Kd,=,31.5,uM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,6J9W,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,Kd,=,7.46,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JB4,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CO2:A:506,invalid,,,,,C(=O)=O,
,,,GLC GLC:B:1,valid,Kd,=,1.04,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JAM,,,,,,,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,GLC GLC:B:1,valid,Kd,=,5.95,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JAH,,,,,,,
,,,BA9:A:507,invalid,,,,,CC(C)(O)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,CIT:A:503,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BA6:A:508,invalid,,,,,C(CC[C@@H](CO)O)CCO,
,,6JBA,,,,,,,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,Z9N GLC:B:1,valid,Kd,=,0.41,uM,O(CC1C(O)C(O)C(O)(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,6JAN,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC:B:1,valid,Kd,=,1.61,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JAZ,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6J9Y,,,,,,,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CO3:A:504,invalid,,,,,C(=O)([O-])[O-],
,,,GLC GLC:B:1,valid,Kd,=,8.54,uM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JAQ,,,,,,,
,,,GLC:A:501,valid,Kd,=,111.23,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6JAR,,,,,,,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1EFV,,,,,,,
,,,AMP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:A:599,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2A1U,,,,,,,
,,,AMP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FAD:A:599,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4PE2,,,,,,,
,,,MLI:A:602,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6PRG,,,,,,,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC FRU GLA GLA:D:1,valid,Kd,=,198.5,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,,,GLC FRU GLA GLA:C:1,valid,Kd,=,198.5,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,,6PRE,,,,,,,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,GLC FRU GLA GLA GLA:F:1,valid,Kd,=,368.8,uM,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3(CO)C(O)C(O)C(CO)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,,,GLC FRU GLA GLA GLA:G:1,valid,Kd,=,368.8,uM,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3(CO)C(O)C(O)C(CO)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,,,GLC FRU GLA GLA GLA:H:1,valid,Kd,=,368.8,uM,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3(CO)C(O)C(O)C(CO)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,,,GLC FRU GLA GLA GLA:E:1,valid,Kd,=,368.8,uM,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OC3(CO)C(O)C(O)C(CO)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1,
,Family. Representative Entry is ,4MRV,,,,,,,
,,,PO4:A:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HGD:A:701,valid,,,,,C(CC(=O)N[C@@H](CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LDA:B:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,Family. Representative Entry is ,4G68,,,,,,,
,,,XYS XYP XYP:D:1,valid,Kd,=,11.6,nM,,
,,,XYS XYP XYP:E:1,valid,Kd,=,11.6,nM,,
,Family. Representative Entry is ,3MYZ,,,,,,,
,,,ACT:A:103,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1428,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1428,invalid,,,,,CC(=O)[O-],
,,,TFX:A:101,valid,,,,,Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C,
,,,TFX:A:102,valid,,,,,Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C,
,,,TFX:B:101,valid,,,,,Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5XQL,,,,,,,
,,,C2E:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6VDF,,,,,,,
,,,PEG:D:702,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PO4:D:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PSE:D:701,valid,,,,,C([C@H](COP(=O)(O)O)N)O,
,,,PSE:C:601,valid,,,,,C([C@H](COP(=O)(O)O)N)O,
,,,MN:A:604,invalid,,,,,[Mn+2],
,,,MN:D:704,invalid,,,,,[Mn+2],
,,,MN:B:602,invalid,,,,,[Mn+2],
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,PGE:A:601,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3N26,,,,,,,
,,,ARG:A:500,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,6H0H,,,,,,,
,,,GAL GAL:C:1,valid,Kd,=,100,nM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GAL GAL:D:1,valid,Kd,=,100,nM,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)CO1,
,,,GLA GAL:A:903,valid,Kd,=,100,nM,,
,,,GLA GAL:B:903,valid,Kd,=,100,nM,,
,,,PG4:A:905,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:906,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:905,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:906,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1OIX,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1OIW,,,,,,,
,,,GSP:A:1174,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1XT8,,,,,,,
,,,CYS:A:401,valid,Kd,=,0.14,uM,C([C@@H](C(=O)O)N)S,
,,,CYS:A:402,valid,Kd,=,0.14,uM,C([C@@H](C(=O)O)N)S,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2XHK,,,,,,,
,,,AKG:A:519,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:519,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,2D5Z,,,,,,,
,,,HEM:A:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,L35:A:1201,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,,L35:C:1200,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,,L35:D:1202,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,4NI1,,,,,,,
,,,HEM:B:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CMO:A:201,invalid,,,,,[C-]#[O+],
,,,CMO:B:201,invalid,,,,,[C-]#[O+],
,,,2JX:A:203,valid,,,,,c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3,
,,,2JX:B:203,invalid,,,,,c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3,
,,,2JX:B:204,invalid,,,,,c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3,
,,,2JX:A:204,valid,,,,,c1ccc2c(c1)OC[C@H](O2)C3=NNC(=S)N3,
,,,MBN:A:205,invalid,,,,,Cc1ccccc1,
,,,MBN:A:206,invalid,,,,,Cc1ccccc1,
,,2D60,,,,,,,
,,,HEM:A:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,L35:B:1200,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,,L35:D:1201,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,1G9V,,,,,,,
,,,HEM:A:143,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:348,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:543,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:748,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RQ3:A:801,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C,
,,,RQ3:C:802,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C,
,,,SO4:B:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KDQ,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,KOH:C:202,valid,,,,,c1cc(c(cc1c2[nH]ccn2)Cl)OCCC(=O)O,
,,3WHM,,,,,,,
,,,O4B:E:203,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:F:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:E:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,HEM:E:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXY:B:203,invalid,,,,,O=O,
,,,OXY:E:204,invalid,,,,,O=O,
,,,OXY:A:203,invalid,,,,,O=O,
,,7JJQ,,,,,,,
,,,K7M:B:202,valid,,,,,C[C@H](Cc1ccccc1)NO,
,,,K7M:C:202,valid,,,,,C[C@H](Cc1ccccc1)NO,
,,,K7M:D:202,valid,,,,,C[C@H](Cc1ccccc1)NO,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4NI0,,,,,,,
,,,HEM:B:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CMO:A:201,invalid,,,,,[C-]#[O+],
,,,CMO:B:201,invalid,,,,,[C-]#[O+],
,,,PO4:B:206,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:208,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2P3:A:204,valid,,,,,c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3,
,,,2P3:B:204,invalid,,,,,c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3,
,,,2P3:B:203,invalid,,,,,c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3,
,,,2P3:A:203,valid,,,,,c1ccc2c(c1)OC[C@@H](O2)C3=NNC(=S)N3,
,,,MBN:A:205,invalid,,,,,Cc1ccccc1,
,,,MBN:A:206,invalid,,,,,Cc1ccccc1,
,,,MBN:A:207,invalid,,,,,Cc1ccccc1,
,,4M4B,,,,,,,
,,,NOE:A:203,valid,,,,,CCN=O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,5E6E,,,,,,,
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MBN:A:204,valid,,,,,Cc1ccccc1,
,,,MBN:A:203,valid,,,,,Cc1ccccc1,
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CMO:A:201,invalid,,,,,[C-]#[O+],
,,,CMO:B:201,invalid,,,,,[C-]#[O+],
,,5E29,,,,,,,
,,,CAC:D:202,invalid,,,,,C[As](=O)(C)[O-],
,,,HEM:A:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:202,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,5JN:A:203,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)OCCO[N+](=O)[O-])C,
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO:A:201,invalid,,,,,[N]=O,
,,,NO:C:201,invalid,,,,,[N]=O,
,,,RQ3:A:204,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C,
,,,RQ3:B:202,valid,,,,,Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C,
,Family. Representative Entry is ,3TTM,,,,,,,
,,,PUT:A:367,valid,Kd,=,3,nM,C(CCN)CN,
,,,PUT:B:367,valid,Kd,=,3,nM,C(CCN)CN,
,Family. Representative Entry is ,1OGD,,,,,,,
,,,CL:A:1132,invalid,,,,,[Cl-],
,,,CL:D:1133,invalid,,,,,[Cl-],
,,,RIP:A:1134,valid,Kd,=,0.93,mM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:B:1132,valid,Kd,=,0.93,mM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:C:1132,valid,Kd,=,0.93,mM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:D:1132,valid,Kd,=,0.93,mM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:E:1132,valid,Kd,=,0.93,mM,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,1OGE,,,,,,,
,,,CL:A:1132,invalid,,,,,[Cl-],
,,,CL:D:1132,invalid,,,,,[Cl-],
,,,RP5:A:1133,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:B:1132,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:C:1132,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:D:1133,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:E:1132,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5JVB,,,,,,,
,,,2PO:A:301,valid,Kd,=,0.17,uM,[O-]P(=O)[O-],
,,,2PO:B:301,valid,Kd,=,0.17,uM,[O-]P(=O)[O-],
,,5LQ1,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GB:B:303,valid,Kd,=,30.63,uM,CP(=O)(O)O,
,,,GB:A:303,valid,Kd,=,30.63,uM,CP(=O)(O)O,
,Family. Representative Entry is ,4ZZE,,,,,,,
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:507,invalid,,,,,[Mg+2],
,,,MG:A:506,Part of Protein,,,,,[Mg+2],
,,,MG:B:506,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,GLC GLC GLC:D:1,valid,Kd,=,9,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:C:1,valid,Kd,=,9,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4ZZA,,,,,,,
,,,FRU GLC GLA:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4ZS9,,,,,,,
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,MG:A:506,invalid,,,,,[Mg+2],
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:509,invalid,,,,,[Mg+2],
,,,MG:B:508,invalid,,,,,[Mg+2],
,,,MG:B:504,invalid,,,,,[Mg+2],
,,,MG:B:507,invalid,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:508,invalid,,,,,[Mg+2],
,,,FRU GLC GLA:C:1,valid,Kd,=,27,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:D:1,valid,Kd,=,27,uM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2V95,,,,,,,
,,,HCY:A:1375,valid,,,,,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,Family. Representative Entry is ,1XOC,,,,,,,
,,,VAL ASP SER LYS ASN THR SER SER TRP:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(Cc1c2c([nH]c1)cccc2)[CH2-])CO)CO)C(O)C)CC(=O)N)CCCC[NH3+])CO)CC(=O)[O-])C([NH3+])C(C)C,
,,,ZN:A:521,Part of Protein,,,,,[Zn+2],
,,,ZN:A:522,Part of Protein,,,,,[Zn+2],
,,,ZN:A:523,Part of Protein,,,,,[Zn+2],
,,,ZN:A:524,Part of Protein,,,,,[Zn+2],
,,,ZN:A:525,Part of Protein,,,,,[Zn+2],
,,,ZN:A:526,Part of Protein,,,,,[Zn+2],
,,,ZN:A:527,Part of Protein,,,,,[Zn+2],
,,,ZN:A:528,Part of Protein,,,,,[Zn+2],
,,,ZN:A:529,Part of Protein,,,,,[Zn+2],
,,,ZN:A:530,Part of Protein,,,,,[Zn+2],
,,,ZN:A:531,Part of Protein,,,,,[Zn+2],
,,,ZN:A:532,Part of Protein,,,,,[Zn+2],
,,,ZN:A:533,Part of Protein,,,,,[Zn+2],
,,,ZN:A:534,Part of Protein,,,,,[Zn+2],
,,,ZN:A:535,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2D5X,,,,,,,
,,,CMO:A:1143,invalid,,,,,[C-]#[O+],
,,,CMO:B:1148,invalid,,,,,[C-]#[O+],
,,,HEM:A:142,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:147,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,L35:A:1200,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,,,L35:B:1201,valid,,,,,CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)Nc2cc(cc(c2)Cl)Cl,
,Family. Representative Entry is ,4YDX,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PT:A:101,invalid,,,,,[Pt+2],
,,,TCE:A:103,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,1FEE,,,,,,,
,,,CU1:A:173,Part of Protein,,,,,[Cu+],
,,,SO4:A:174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,5A1S,,,,,,,
,,,MES:D:1453,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,BOG:D:1454,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1450,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1456,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:1448,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:1447,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:D:502,Part of Protein,,,,,[Na+],
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:D:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,NA:C:501,Part of Protein,,,,,[Na+],
,,,FLC:B:1449,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1454,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1446,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1449,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1449,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1453,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1450,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,CL:A:1452,invalid,,,,,[Cl-],
,,,CL:D:1451,invalid,,,,,[Cl-],
,,,CL:D:1452,invalid,,,,,[Cl-],
,,,UND:A:1451,invalid,,,,,CCCCCCCCCCC,
,,,UND:D:1450,invalid,,,,,CCCCCCCCCCC,
,,,PTY:A:1455,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,Family. Representative Entry is ,4IRX,,,,,,,
,,,INS:A:401,valid,Kd,=,0.76,uM,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:401,valid,Kd,=,0.76,uM,C1(C(C(C(C(C1O)O)O)O)O)O,
,Family. Representative Entry is ,4U00,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6HKE,,,,,,,
,,,LMR:C:402,valid,Kd,=,21,nM,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:402,valid,Kd,=,21,nM,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:402,valid,Kd,=,21,nM,C([C@@H](C(=O)O)O)C(=O)O,
,,,MLT:B:401,valid,Kd,=,21,nM,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:C:401,valid,Kd,=,21,nM,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:A:401,valid,Kd,=,21,nM,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1USI,,,,,,,
,,,PHE:A:1346,valid,Kd,=,0.18,uM,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:1346,valid,Kd,=,0.18,uM,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,1USK,,,,,,,
,,,LEU:A:1347,valid,Kd,=,0.4,uM,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:B:1347,valid,Kd,=,0.4,uM,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:C:1347,valid,Kd,=,0.4,uM,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:D:1347,valid,Kd,=,0.4,uM,CC(C)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5VNF,,,,,,,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,VAL THR SER VAL VAL:D:7,valid,Kd,=,14.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO)C(C)C)C(C)C,
,,5VNL,,,,,,,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,CLT:B:1102,valid,,,,,c1ccc(cc1)CCCC(=O)O,
,,5VNN,,,,,,,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,CLT:B:1101,valid,,,,,c1ccc(cc1)CCCC(=O)O,
,Family. Representative Entry is ,1KQW,,,,,,,
,,,RTL:A:135,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,Family. Representative Entry is ,5NXX,,,,,,,
,,,3Q7:D:301,valid,,,,,C[As+](C)(C)CC(=O)[O-],
,,,3Q7:C:301,valid,,,,,C[As+](C)(C)CC(=O)[O-],
,Family. Representative Entry is ,2BMV,,,,,,,
,,,BEN:A:1165,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1166,invalid,,,,,[Cl-],
,,1FUE,,,,,,,
,,,FMN:A:165,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1SZ0,,,,,,,
,,,M6P:A:500,valid,Kd,~,1,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:1500,valid,Kd,~,1,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NDG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1C=O)C,
,,,OS:A:6001,invalid,,,,,[Os+3],
,,,OS:B:6002,invalid,,,,,[Os+3],
,,1SYO,,,,,,,
,,,GOL:A:4005,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4006,invalid,,,,,C(C(CO)O)O,
,,,M6P:A:500,valid,Kd,~,1,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:1500,valid,Kd,~,1,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG NAG BMA:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,3MYU,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,ACT:A:2,invalid,,,,,CC(=O)[O-],
,,,VIB:A:500,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:500,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,Family. Representative Entry is ,1POT,,,,,,,
,,,SPD:A:350,valid,Kd,=,3.2,uM,C(CCNCCCN)CN,
,,1POY,,,,,,,
,,,SPD:1:400,valid,Kd,=,3.2,uM,C(CCNCCCN)CN,
,,,SPD:2:400,valid,Kd,=,3.2,uM,C(CCNCCCN)CN,
,,,SPD:3:400,valid,Kd,=,3.2,uM,C(CCNCCCN)CN,
,,,SPD:4:400,valid,Kd,=,3.2,uM,C(CCNCCCN)CN,
,Family. Representative Entry is ,1OW4,,,,,,,
,,,2AN:A:1004,valid,Kd,=,2.1,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:1003,valid,Kd,=,2.1,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,1P28,,,,,,,
,,,HBR:A:1002,valid,Kd,=,3.8,uM,C[C@H](C(=O)C)O,
,,,HBR:B:1004,valid,Kd,=,3.8,uM,C[C@H](C(=O)C)O,
,,,HBS:A:1001,valid,Kd,=,3.8,uM,C[C@@H](C(=O)C)O,
,,,HBS:B:1003,valid,Kd,=,3.8,uM,C[C@@H](C(=O)C)O,
,Family. Representative Entry is ,4UAC,,,,,,,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,GLC GLC AC1:B:1,valid,Kd,=,302,nM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,4UA8,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC:B:1,valid,Kd,=,550,nM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1GV8,,,,,,,
,,,CO3:A:1254,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:1255,Part of Protein,,,,,[Fe+3],
,,,GLY:A:1253,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,3COB,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,1SDM,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4JB0,,,,,,,
,,,ENO:A:402,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,FER:A:401,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,Family. Representative Entry is ,1RE0,,,,,,,
,,,AFB:A:702,valid,,,,,C[C@H]1CCCC=C[C@@H]2C[C@@H](C[C@H]2[C@@H](C=CC(=O)O1)O)O,
,,,CIT:A:703,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GDP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1VG1,,,,,,,
,,,GDP:A:1557,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:3000,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2Q89,,,,,,,
,,,6CS:A:501,valid,Kd,=,0.5,uM,CC1=N[C@@H]([C@H](CN1)O)C(=O)O,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,,2Q88,,,,,,,
,,,4CS:A:501,valid,Kd,=,1.6,uM,CC1=N[C@@H](CCN1)C(=O)O,
,,,CD:A:601,invalid,,,,,[Cd+2],
,,,CD:A:602,invalid,,,,,[Cd+2],
,,,CD:A:603,invalid,,,,,[Cd+2],
,,,CD:A:604,invalid,,,,,[Cd+2],
,Family. Representative Entry is ,1L2T,,,,,,,
,,,ATP:A:1301,valid,Kd,~,800,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1302,valid,Kd,~,800,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IPA:A:1600,invalid,,,,,CC(C)O,
,,,IPA:B:1601,invalid,,,,,CC(C)O,
,,,NA:A:1502,Part of Protein,,,,,[Na+],
,,,NA:B:1501,Part of Protein,,,,,[Na+],
,,3TIF,,,,,,,
,,,ADP:A:236,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IPA:A:1600,invalid,,,,,CC(C)O,
,,,IPA:A:1602,invalid,,,,,CC(C)O,
,,,IPA:B:1601,invalid,,,,,CC(C)O,
,,,NA:A:238,Part of Protein,,,,,[Na+],
,,,NA:B:1237,Part of Protein,,,,,[Na+],
,,,PI:A:237,invalid,,,,,OP(=O)([O-])[O-],
,,,PI:B:1236,invalid,,,,,OP(=O)([O-])[O-],
,Family. Representative Entry is ,4A34,,,,,,,
,,,FUL:A:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:D:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:E:1141,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:F:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:G:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:H:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:I:1144,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:J:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:K:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:L:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:M:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:N:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:O:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:P:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:Q:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:R:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:S:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:T:1142,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,K:B:1143,Part of Protein,,,,,[K+],
,,,K:C:1143,Part of Protein,,,,,[K+],
,,,K:D:1143,Part of Protein,,,,,[K+],
,,,K:E:1142,Part of Protein,,,,,[K+],
,,,K:J:1143,Part of Protein,,,,,[K+],
,,,K:K:1143,Part of Protein,,,,,[K+],
,,,K:L:1143,Part of Protein,,,,,[K+],
,,,K:N:1143,Part of Protein,,,,,[K+],
,,,K:Q:1143,Part of Protein,,,,,[K+],
,,,K:S:1143,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,4LS3,,,,,,,
,,,HIS:B:601,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:602,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:601,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:602,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,NI:B:603,Part of Protein,,,,,[Ni+2],
,,,NI:A:603,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4DVE,,,,,,,
,,,BNG:A:202,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:203,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:204,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:202,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:203,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:C:202,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BTN:A:201,valid,Kd,=,0.3,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:B:201,valid,Kd,=,0.3,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,,,BTN:C:201,valid,Kd,=,0.3,nM,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2,
,Family. Representative Entry is ,1AG9,,,,,,,
,,,BTB:A:351,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:301,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CA:A:200,Part of Protein,,,,,[Ca+2],
,,,CA:A:350,Part of Protein,,,,,[Ca+2],
,,,CA:B:1000,Part of Protein,,,,,[Ca+2],
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,FMN:A:177,valid,Kd,=,1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:177,valid,Kd,=,1,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:400,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2O5L,,,,,,,
,,,MNR:X:154,valid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,MOH:X:160,invalid,,,,,CO,
,,,SO4:X:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2O58,,,,,,,
,,,MNR:X:154,valid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,SO4:X:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2O5M,,,,,,,
,,,AZI:X:155,invalid,,,,,[N-]=[N+]=[N-],
,,,MNR:X:154,valid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,SO4:X:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2O5O,,,,,,,
,,,MNR:X:154,valid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,NO2:X:159,invalid,,,,,N(=O)[O-],
,,,SO4:X:157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:158,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4G1V,,,,,,,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,HEM:A:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,NO2:A:404,invalid,,,,,N(=O)[O-],
,Family. Representative Entry is ,3OV6,,,,,,,
,,,D12:A:1104,invalid,,,,,CCCCCCCCCCCC,
,,,MK0:A:1105,valid,,,,,CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO[P@](=O)(O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2Z8E,,,,,,,
,,,MES:A:11,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:12,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NGA GAL:C:1,valid,Ka,=,97400000,M^-1,,
,,,NGA GAL:D:1,valid,Ka,=,97400000,M^-1,,
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,,2Z8F,,,,,,,
,,,BGC GAL NAG GAL:C:1,valid,Kd,=,11,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:D:1,valid,Kd,=,11,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,MES:A:21,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:22,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NA:A:17,Part of Protein,,,,,[Na+],
,,,NA:A:18,Part of Protein,,,,,[Na+],
,,,NA:B:16,Part of Protein,,,,,[Na+],
,,,ZN:A:11,Part of Protein,,,,,[Zn+2],
,,,ZN:A:13,Part of Protein,,,,,[Zn+2],
,,,ZN:B:12,Part of Protein,,,,,[Zn+2],
,,,ZN:B:14,Part of Protein,,,,,[Zn+2],
,,,ZN:B:15,Part of Protein,,,,,[Zn+2],
,,2Z8D,,,,,,,
,,,MES:A:11,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:12,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG GAL:C:1,valid,Kd,=,86.9,nM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:D:1,valid,Kd,=,86.9,nM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:7,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7A99,,,,,,,
,,,ARG:A:301,valid,Kd,=,3,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:301,valid,Kd,=,3,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,6GPC,,,,,,,
,,,ARG:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:301,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,5X40,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ACP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
4.1.1.11,,,,,,,,,
,Family. Representative Entry is ,6LDR,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NH4:A:402,invalid,,,,,[NH4+],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,6LDT,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EBR:A:405,valid,,,,,CC1=C(/C(=CN=C/Cc2ccc(cc2)O)/C(=CN1)COP(=O)(O)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6LDS,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,0PR:A:407,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2ccc(cc2)O)C(=O)O)O,
,Family. Representative Entry is ,5LS7,,,,,,,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,PEG:D:204,invalid,,,,,C(COCCO)O,
,,,74C:D:205,invalid,,,,,[CH3],
,,,CO2:D:206,invalid,,,,,C(=O)=O,
,,,CO2:B:206,invalid,,,,,C(=O)=O,
,,,CO2:B:205,invalid,,,,,C(=O)=O,
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,SCN:D:203,invalid,,,,,C(#N)[S-],
,,,SCN:D:202,invalid,,,,,C(#N)[S-],
,,,ACO:B:203,valid,Kd,=,524,nM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4CRZ,,,,,,,
,,,SCN:A:1127,invalid,,,,,C(#N)[S-],
,,,ACO:B:1129,valid,Kd,=,35,nM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,MG:B:1130,Part of Protein,,,,,[Mg+2],
,,4CS0,,,,,,,
,,,SCN:A:1127,invalid,,,,,C(#N)[S-],
,,,MG:B:1129,Part of Protein,,,,,[Mg+2],
,,,ACO:B:1128,valid,Kd,=,157,nM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6P02,,,,,,,
,,,NMJ:T:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:B:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:L:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:R:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:J:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:P:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:N:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:D:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:H:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:V:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:F:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
,,,NMJ:X:201,valid,Ki,=,1,mM,c1c(nc(cn1)Cl)C(=O)O,
3.7.1.1,,,,,,,,,
,Family. Representative Entry is ,3M0J,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,OAF:A:501,valid,,,,,C(=O)(C(C(C(=O)O)(F)F)(O)O)O,
,,3M0K,,,,,,,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,OXL:A:501,valid,,,,,C(=O)(C(=O)[O-])[O-],
2.1.1.86,,,,,,,,,
,Family. Representative Entry is ,6SJ8,,,,,,,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,44V:B:901,valid,,,,,C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,44V:A:901,valid,,,,,C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SJN,,,,,,,
,,,THH:A:401,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,6SJO,,,,,,,
,,,THH:A:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,6SK4,,,,,,,
,,,THH:A:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:B:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:D:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:C:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,6SJS,,,,,,,
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,THH:A:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:B:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,6SJR,,,,,,,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,THH:A:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,THH:B:901,valid,,,,,CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
2.7.1.180,,,,,,,,,
,Family. Representative Entry is ,6NXI,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6NXJ,,,,,,,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4XGX,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,NO3:A:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:408,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,ADP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4XDU,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ADP:A:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,ACT:A:510,invalid,,,,,CC(=O)[O-],
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,4IG1,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4IFZ,,,,,,,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4XDR,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,ADN:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,4XDT,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4IFW,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,4IFX,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
1.14.11.41,,,,,,,,,
,Family. Representative Entry is ,2WBQ,,,,,,,
,,,ACT:A:1357,invalid,,,,,CC(=O)[O-],
,,,ZZU:A:1358,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,6DAX,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,HRG:A:402,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,2WBO,,,,,,,
,,,ARG:A:1360,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FE2:A:1358,Part of Protein,,,,,[Fe+2],
,,,TLA:A:1359,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6ALP,,,,,,,
,,,ZZU:A:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,2WBP,,,,,,,
,,,ARG:A:1361,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FE2:A:1358,Part of Protein,,,,,[Fe+2],
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:1360,valid,,,,,C(CC(=O)O)C(=O)O,
,,,ZZU:A:1359,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,6ALO,,,,,,,
,,,OKG:A:403,valid,,,,,C(CC(=O)O[O-])C(=O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,6MP9,,,,,,,
,,,FE2:A:403,Part of Protein,,,,,[Fe+2],
,,,JX7:A:401,valid,,,,,[H]/N=C(/N)NCCCC(=O)C(=O)O,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,6ALM,,,,,,,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,6Y0N,,,,,,,
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,6DB2,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,HRG:A:402,valid,,,,,C(CCNC(=N)N)C[C@@H](C(=O)O)N,
,,,VVO:A:403,invalid,,,,,O=[V+2],
,,6ALN,,,,,,,
,,,ZZU:A:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,6ALQ,,,,,,,
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,6MP8,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DAR:A:403,valid,,,,,C(C[C@H](C(=O)O)N)CNC(=[NH2+])N,
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,,6DAZ,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,G3M:A:403,valid,,,,,[H]/N=C(/N)NCCC[C@@H]([C@@H](C(=O)O)N)O,
,,6ALR,,,,,,,
,,,VVO:A:403,invalid,,,,,O=[V+2],
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,6Y12,,,,,,,
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,ZZU:A:403,valid,,,,,C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O,
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
3.1.13.1,,,,,,,,,
,Family. Representative Entry is ,2IX0,,,,,,,
,,,C5P:A:1645,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CA:A:1647,Part of Protein,,,,,[Ca+2],
,,,MG:A:1646,Part of Protein,,,,,[Mg+2],
2.3.1.164,,,,,,,,,
,Family. Representative Entry is ,2X1E,,,,,,,
,,,CL:B:1358,invalid,,,,,[Cl-],
,,,GOL:A:1357,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1356,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1357,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1358,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1357,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1356,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1357,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1356,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,X1E:A:1358,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C,
5.1.3.1,,,,,,,,,
,Family. Representative Entry is ,3OVR,,,,,,,
,,,5SP:A:230,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5SP:B:230,valid,,,,,C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,FE2:A:229,Part of Protein,,,,,[Fe+2],
,,,FE2:B:229,Part of Protein,,,,,[Fe+2],
,,,XPE:A:231,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:232,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:233,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:234,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:231,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:232,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:233,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,3OVQ,,,,,,,
,,,5RP:A:230,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:230,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,FE2:A:229,Part of Protein,,,,,[Fe+2],
,,,FE2:B:229,Part of Protein,,,,,[Fe+2],
,,,XPE:A:231,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:232,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:233,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:A:234,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:231,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:232,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:233,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
6.3.3.2,,,,,,,,,
,Family. Representative Entry is ,2JCB,,,,,,,
,,,ADP:A:1190,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1189,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1192,Part of Protein,,,,,[Mg+2],
,,,MG:B:1191,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1191,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1190,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1U3G,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,THF:A:501,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N,
,,1U3F,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3HY3,,,,,,,
,,,10F:A:501,valid,,,,,c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CN[C@@H]3[C@@H](N2)[C@@H](N[C@@H](N3)N)O)C=O,
,,,MG:A:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:208,Part of Protein,,,,,[Mg+2],
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,MG:A:210,Part of Protein,,,,,[Mg+2],
,,,MG:A:211,Part of Protein,,,,,[Mg+2],
,,,MG:A:212,Part of Protein,,,,,[Mg+2],
,,,MG:A:213,Part of Protein,,,,,[Mg+2],
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,NI:A:204,Part of Protein,,,,,[Ni+2],
,,,NI:A:205,Part of Protein,,,,,[Ni+2],
,,3HY6,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:207,Part of Protein,,,,,[Mg+2],
,,,MG:A:208,Part of Protein,,,,,[Mg+2],
,,,MG:A:209,Part of Protein,,,,,[Mg+2],
,,,MG:A:210,Part of Protein,,,,,[Mg+2],
,,,MG:A:212,Part of Protein,,,,,[Mg+2],
,,,MG:A:213,Part of Protein,,,,,[Mg+2],
,,,MG:A:214,Part of Protein,,,,,[Mg+2],
,,,MG:A:215,Part of Protein,,,,,[Mg+2],
,,,MG:A:216,Part of Protein,,,,,[Mg+2],
,,,MG:A:217,Part of Protein,,,,,[Mg+2],
,,,MG:A:219,Part of Protein,,,,,[Mg+2],
,,,NI:A:204,Part of Protein,,,,,[Ni+2],
,,,NI:A:206,Part of Protein,,,,,[Ni+2],
,,,NI:A:218,Part of Protein,,,,,[Ni+2],
,,,PO4:A:211,invalid,,,,,[O-]P(=O)([O-])[O-],
4.1.99.13,,,,,,,,,
,Family. Representative Entry is ,4DJA,,,,,,,
,,,DLZ:A:602,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,,SF4:A:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5LFA,,,,,,,
,,,SF4:A:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,DLZ:A:602,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,5KCM,,,,,,,
,,,SF4:B:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,6DD6,,,,,,,
,,,DLZ:A:602,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:A:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.6.3.30,,,,,,,,,
,Family. Representative Entry is ,3FVQ,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:360,Part of Protein,,,,,[Ca+2],
,,,CA:A:361,Part of Protein,,,,,[Ca+2],
,,,CA:B:361,Part of Protein,,,,,[Ca+2],
2.7.4.25,,,,,,,,,
,Family. Representative Entry is ,7CKJ,,,,,,,
,,,C5P:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
1.13.11.6,,,,,,,,,
,Family. Representative Entry is ,4HSJ,,,,,,,
,,,6PC:A:203,valid,,,,,c1ccnc(c1)C(=O)O,
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,FE2:A:202,Part of Protein,,,,,[Fe+2],
,,1YFX,,,,,,,
,,,4AA:A:401,valid,,,,,c1cc(c(c(c1C(=O)O)N)O)Cl,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,NO:A:310,invalid,,,,,[N]=O,
,,,TRS:A:400,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1YFW,,,,,,,
,,,4AA:A:401,valid,,,,,c1cc(c(c(c1C(=O)O)N)O)Cl,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,OXY:A:310,invalid,,,,,O=O,
,,,TRS:A:400,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6D61,,,,,,,
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FE2:A:202,Part of Protein,,,,,[Fe+2],
,,,FE2:A:201,Part of Protein,,,,,[Fe+2],
,,,4AA:A:203,valid,,,,,c1cc(c(c(c1C(=O)O)N)O)Cl,
2.3.1.46,,,,,,,,,
,Family. Representative Entry is ,2VDJ,,,,,,,
,,,HSE:A:1298,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,,SO4:A:1297,invalid,,,,,[O-]S(=O)(=O)[O-],
1.17.1.4,,,,,,,,,
,Family. Representative Entry is ,3NRZ,,,,,,,
,,,18973_18974_18975_18976_:C:1328,invalid,,,,,,
,,,19072_19073_19074_19075_:L:1328,invalid,,,,,,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HPA:C:1,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,HPA:L:1,valid,,,,,c1[nH]c2c(n1)N=CNC2=O,
,,,MTE:C:1327,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:L:1327,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3NVV,,,,,,,
,,,19205_19206_19207_19208_ AST:C:1327,invalid,,,,,,
,,,AST 19300_19301_19302_19303_:L:1,invalid,,,,,,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MTE:C:1326,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:L:1326,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3SR6,,,,,,,
,,,FAD:B:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:606,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:601,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:J:602,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,MTE:C:1316,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:L:1316,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,RMO:C:1317,invalid,,,,,O[As]1O[Mo](=O)S1,
,,,RMO:L:1317,invalid,,,,,O[As]1O[Mo](=O)S1,
,Family. Representative Entry is ,5G5G,,,,,,,
,,,GOL:C:1741,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1322,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1323,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1742,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1232,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1233,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:321,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MCN:C:921,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,IOD:C:1733,invalid,,,,,[I-],
,,,IOD:A:3000,invalid,,,,,[I-],
,,,IOD:A:1227,invalid,,,,,[I-],
,,,IOD:B:3000,invalid,,,,,[I-],
,,,IOD:B:1317,invalid,,,,,[I-],
,,,IOD:C:1734,invalid,,,,,[I-],
,,,IOD:C:1732,invalid,,,,,[I-],
,,,FES:A:230,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:231,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:B:1319,invalid,,,,,[Cl-],
,,,CL:C:1737,invalid,,,,,[Cl-],
,,,CL:C:1738,invalid,,,,,[Cl-],
,,,CL:A:1228,invalid,,,,,[Cl-],
,,,CL:C:4000,invalid,,,,,[Cl-],
,,,CL:C:1735,invalid,,,,,[Cl-],
,,,CL:C:1736,invalid,,,,,[Cl-],
,,,CL:B:1318,invalid,,,,,[Cl-],
,,,CL:B:4000,invalid,,,,,[Cl-],
,,,CL:A:1229,invalid,,,,,[Cl-],
,,,CL:B:1320,invalid,,,,,[Cl-],
,,,CL:A:1230,invalid,,,,,[Cl-],
,,,ACT:B:1321,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1739,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1231,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1740,invalid,,,,,CC(=O)[O-],
,,,SF4:B:320,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,9470_9471_9472_9473_:C:922,invalid,,,,,,
,,5G5H,,,,,,,
,,,ACT:C:1743,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1742,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1229,invalid,,,,,CC(=O)[O-],
,,,GOL:C:1746,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1744,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1745,invalid,,,,,C(C(CO)O)O,
,,,FES:A:1227,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1226,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,9258_9259_9260_:C:1733,invalid,,,,,,
,,,CL:B:1322,invalid,,,,,[Cl-],
,,,CL:C:1740,invalid,,,,,[Cl-],
,,,CL:C:1738,invalid,,,,,[Cl-],
,,,CL:B:1321,invalid,,,,,[Cl-],
,,,CL:B:1324,invalid,,,,,[Cl-],
,,,CL:C:1747,invalid,,,,,[Cl-],
,,,CL:C:1741,invalid,,,,,[Cl-],
,,,CL:C:1739,invalid,,,,,[Cl-],
,,,CL:C:1748,invalid,,,,,[Cl-],
,,,CL:A:1230,invalid,,,,,[Cl-],
,,,IOD:C:1735,invalid,,,,,[I-],
,,,IOD:B:1323,invalid,,,,,[I-],
,,,IOD:A:1228,invalid,,,,,[I-],
,,,IOD:B:1319,invalid,,,,,[I-],
,,,IOD:B:1320,invalid,,,,,[I-],
,,,IOD:C:1734,invalid,,,,,[I-],
,,,IOD:C:1737,invalid,,,,,[I-],
,,,IOD:C:1736,invalid,,,,,[I-],
,,,SF4:B:1317,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,9257_:C:1733,Part of Protein,,,,,,
,,,MCN:C:1732,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]3C(=C(c4c(nc5c(n4)c(nc(n5)N)O)O3)S)S)O)O,
,,,CSD:C:1731,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,FAD:B:1318,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4YSW,,,,,,,
,,,CA:B:4003,Part of Protein,,,,,[Ca+2],
,,,CA:A:3003,Part of Protein,,,,,[Ca+2],
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BCT:B:4006,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:3006,invalid,,,,,C(=O)(O)[O-],
,,,NAI:B:4005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:3005,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4008,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:3004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,URC:A:3007,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:4007,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,3AN1,,,,,,,
,,,BCT:A:1334,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1333,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:1332,Part of Protein,,,,,[Ca+2],
,,,CA:A:4009,Part of Protein,,,,,[Ca+2],
,,,CA:B:1335,Part of Protein,,,,,[Ca+2],
,,,CA:B:4019,Part of Protein,,,,,[Ca+2],
,,,FAD:A:3006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:1335,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1334,invalid,,,,,C(C(CO)O)O,
,,,URC:A:1333,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:1332,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,4YRW,,,,,,,
,,,CA:B:4003,Part of Protein,,,,,[Ca+2],
,,,CA:A:3004,Part of Protein,,,,,[Ca+2],
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BCT:A:3003,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:4005,invalid,,,,,C(=O)(O)[O-],
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4007,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:4004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:3005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,URC:A:3006,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:4006,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,4YTZ,,,,,,,
,,,FES:A:1401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:1402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1402,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:1401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BCT:A:1405,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:1405,invalid,,,,,C(=O)(O)[O-],
,,,CA:B:1406,Part of Protein,,,,,[Ca+2],
,,,CA:A:1406,Part of Protein,,,,,[Ca+2],
,,,CA:B:1407,Part of Protein,,,,,[Ca+2],
,,,CA:A:1407,Part of Protein,,,,,[Ca+2],
,,,FAD:A:1403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,URC:A:1404,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:1404,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,4YTY,,,,,,,
,,,CA:B:4003,Part of Protein,,,,,[Ca+2],
,,,CA:A:3003,Part of Protein,,,,,[Ca+2],
,,,FES:A:3001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:3002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:4001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3009,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4007,invalid,,,,,C(C(CO)O)O,
,,,BCT:B:4005,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:3006,invalid,,,,,C(=O)(O)[O-],
,,,FAD:A:3004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:4004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAI:B:4006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:3007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,URC:A:3005,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,2E3T,,,,,,,
,,,BCT:A:5001,invalid,,,,,C(=O)(O)[O-],
,,,BCT:B:5002,invalid,,,,,C(=O)(O)[O-],
,,,CA:A:7002,Part of Protein,,,,,[Ca+2],
,,,CA:A:7003,Part of Protein,,,,,[Ca+2],
,,,CA:B:7001,Part of Protein,,,,,[Ca+2],
,,,CA:B:7004,Part of Protein,,,,,[Ca+2],
,,,FAD:A:2003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:3003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:2001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:2002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:2001,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:2002,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,PO4:A:6001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:6009,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6010,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6011,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,URC:A:4001,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,URC:B:4002,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
1.5.3.13,,,,,,,,,
,Family. Representative Entry is ,5MBX,,,,,,,
,,,FAD:A:1801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SP5:A:1802,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
,,,SO4:A:1803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LGB,,,,,,,
,,,6YU:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)/C(=C/C=NCCCCNCC=C=C)/C,
,,,MD2:A:602,valid,,,,,C=C=CCNCCCCNCC=C=C,
,,5LAE,,,,,,,
,,,GOL:A:1803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1802,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5LFO,,,,,,,
,,,GOL:A:1803,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:1801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SP5:A:1802,valid,,,,,CC(=O)NCCCNCCCCNCCCN,
4.2.2.4,,,,,,,,,
,Family. Representative Entry is ,1OFL,,,,,,,
,,,ASG GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,ASG GCD:E:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,ASG GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,,CA:A:528,Part of Protein,,,,,[Ca+2],
,,,MAN GCU RAM XYP MXZ GLA BGC:B:1,Part of Protein,,,,,,
,,,NGK GCD:F:1,valid,,,,,,
,,1DBO,,,,,,,
,,,MAN GCU RAM XYP MXY G4D BGC:B:1,Part of Protein,,,,,,
,,,ASG GC4:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(NC(=O)C)C(O)OC1CO)[O-],
,,1OFM,,,,,,,
,,,ASG BDP ASG GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(NC(=O)C)C(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(CO)OC(O)C3NC(=O)C)OC2C(=O)[O-])OC1CO)[O-],
,,,MAN GCU RAM XYP MXZ GLA BGC:B:1,Part of Protein,,,,,,
1.1.1.145,,,,,,,,,
,Family. Representative Entry is ,5MLR,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NAP:A:406,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,GRQ:A:405,valid,,,,,CC(=CCC/C(=C/C=O)/C)C,
,,,GRQ:A:404,valid,,,,,CC(=CCC/C(=C/C=O)/C)C,
,,5MLH,,,,,,,
,,,NAP:A:404,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,XOG:A:402,valid,,,,,C/C(=CC=O)/CC/C=C(C)/C=O,
,,,NA:A:401,Part of Protein,,,,,[Na+],
2.-.-.-,,,,,,,,,
,Family. Representative Entry is ,1Z2P,,,,,,,
,,,ACP:X:1476,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,I3S:X:500,valid,,,,,[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,MG:X:1295,Part of Protein,,,,,[Mg+2],
,,,MG:X:1296,Part of Protein,,,,,[Mg+2],
,,1Z2O,,,,,,,
,,,ADP:X:871,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,I4P:X:2699,valid,,,,,C1([C@H]([C@@H](C([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,MG:X:1295,Part of Protein,,,,,[Mg+2],
,,,MG:X:1296,Part of Protein,,,,,[Mg+2],
,,1Z2N,,,,,,,
,,,ADP:X:871,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:X:1295,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6H21,,,,,,,
,,,MN:B:409,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:C:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:411,Part of Protein,,,,,[Mn+2],
,,,MN:C:405,Part of Protein,,,,,[Mn+2],
,,,MN:B:410,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:C:401,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,UD1:B:408,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,MG:B:412,Part of Protein,,,,,[Mg+2],
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,6HNQ,,,,,,,
,,,FQ8:O:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:G:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:C:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:I:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:P:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:H:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:F:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:B:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:Q:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:A:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:E:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:D:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,CL:I:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:H:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:E:404,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:Q:402,invalid,,,,,[Cl-],
,,,CL:G:402,invalid,,,,,[Cl-],
,,,CL:H:402,invalid,,,,,[Cl-],
,,,CL:H:404,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,MG:D:402,invalid,,,,,[Mg+2],
,,,MG:I:402,invalid,,,,,[Mg+2],
,,,MG:E:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,6H2N,,,,,,,
,,,CL:B:416,invalid,,,,,[Cl-],
,,,CL:B:412,invalid,,,,,[Cl-],
,,,CL:B:409,invalid,,,,,[Cl-],
,,,CL:B:415,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:413,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:C:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:B:414,invalid,,,,,[Cl-],
,,,CL:B:410,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:411,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,GOL:B:418,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:417,invalid,,,,,C(C(CO)O)O,
,,,UD1:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,6H4F,,,,,,,
,,,FQ8:O:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:G:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:C:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:I:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:P:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:H:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:F:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:B:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:Q:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:A:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:E:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,FQ8:D:401,valid,,,,,C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:O:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:H:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:O:402,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:G:402,invalid,,,,,[Cl-],
,,,CL:Q:403,invalid,,,,,[Cl-],
,,,CL:H:404,invalid,,,,,[Cl-],
,,,CL:I:402,invalid,,,,,[Cl-],
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:G:403,invalid,,,,,[Cl-],
,,,MG:Q:402,invalid,,,,,[Mg+2],
,,,MG:D:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:H:402,invalid,,,,,[Mg+2],
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6C5B,,,,,,,
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,FMT:B:403,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,P33:B:401,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5F06,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6GEW,,,,,,,
,,,SFG:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5N0Q,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5N0V,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5N0W,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,5N4I,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SCN:A:506,invalid,,,,,C(#N)[S-],
,,,SCN:A:504,invalid,,,,,C(#N)[S-],
,,,SCN:A:505,invalid,,,,,C(#N)[S-],
,,,SCN:A:503,invalid,,,,,C(#N)[S-],
,,,BCT:A:507,invalid,,,,,C(=O)(O)[O-],
,,,MLI:A:508,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,5N0T,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,5N0N,,,,,,,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EDT:A:502,valid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,,5N0R,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,5N0S,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MLI:B:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:502,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,5OUF,,,,,,,
,,,SCN:A:503,invalid,,,,,C(#N)[S-],
,,,SCN:A:506,invalid,,,,,C(#N)[S-],
,,,SCN:A:504,invalid,,,,,C(#N)[S-],
,,,SCN:A:505,invalid,,,,,C(#N)[S-],
,,,BCT:A:502,invalid,,,,,C(=O)(O)[O-],
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,5N0X,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,5N0U,,,,,,,
,,,MG:A:905,invalid,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5N0P,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6MXC,,,,,,,
,,,MG:F:302,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:E:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:303,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,invalid,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,5GP:B:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:E:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:F:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:301,valid,Ki,=,2.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6MXB,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,XMP:F:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:E:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:D:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:B:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:C:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,,XMP:A:301,valid,Ki,=,26,uM,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,6BND,,,,,,,
,,,OPE:B:602,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:A:602,valid,,,,,C(COP(=O)(O)O)N,
,,,15P:A:605,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:B:603,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:604,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5JGL,,,,,,,
,,,SAM:A:301,valid,Kd,=,12.48,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,Kd,=,12.48,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,NA:A:302,invalid,,,,,[Na+],
,,,NA:B:302,invalid,,,,,[Na+],
,,5JGK,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:301,valid,Kd,=,12.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,Kd,=,12.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5EGP,,,,,,,
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KF9,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,ACO:A:402,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EP1:A:407,invalid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,5KF1,,,,,,,
,,,ACO:A:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5KF8,,,,,,,
,,,GCS:A:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,,COA:A:406,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACO:A:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,EP1:A:405,valid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5KGP,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,COA:A:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MPO:B:403,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,ACO:B:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PA1 GCS:C:1,valid,,,,,,
,,,PA1 GCS:D:1,valid,,,,,,
,,5KGA,,,,,,,
,,,TMA:B:402,invalid,,,,,C[N+](C)(C)C,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,COA:B:404,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:404,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACO:B:403,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:403,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,NAG:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5KGJ,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACO:A:403,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,X6X:A:402,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O,
,,,EP1:A:407,invalid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,5KGH,,,,,,,
,,,ACO:B:402,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:402,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:401,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5KF2,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,ACO:A:402,valid,Ki,=,3,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6QP1,,,,,,,
,,,LCS:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,,,LCS:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2CONC2=O)O,
,Family. Representative Entry is ,5U23,,,,,,,
,,,CL:C:406,invalid,,,,,[Cl-],
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,TQP:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,MPO:C:407,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:B:401,invalid,,,,,[Na+],
,,,NA:C:401,invalid,,,,,[Na+],
,,5U21,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,TQP:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:C:401,invalid,,,,,[Na+],
,,5U24,,,,,,,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,7SG:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,7SG:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,7SG:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,7SG:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,NA:A:401,invalid,,,,,[Na+],
,,,NA:C:401,invalid,,,,,[Na+],
,Family. Representative Entry is ,2ON5,,,,,,,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:420,invalid,,,,,C(CO)O,
,,,EDO:A:421,invalid,,,,,C(CO)O,
,,,EDO:A:422,invalid,,,,,C(CO)O,
,,,EDO:A:423,invalid,,,,,C(CO)O,
,,,EDO:A:424,invalid,,,,,C(CO)O,
,,,EDO:A:425,invalid,,,,,C(CO)O,
,,,EDO:A:426,invalid,,,,,C(CO)O,
,,,EDO:A:427,invalid,,,,,C(CO)O,
,,,EDO:A:428,invalid,,,,,C(CO)O,
,,,EDO:A:429,invalid,,,,,C(CO)O,
,,,EDO:A:452,invalid,,,,,C(CO)O,
,,,EDO:A:454,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:424,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,EDO:B:426,invalid,,,,,C(CO)O,
,,,EDO:B:427,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:430,invalid,,,,,C(CO)O,
,,,EDO:B:452,invalid,,,,,C(CO)O,
,,,EDO:B:453,invalid,,,,,C(CO)O,
,,,EDO:C:424,invalid,,,,,C(CO)O,
,,,EDO:C:425,invalid,,,,,C(CO)O,
,,,EDO:C:427,invalid,,,,,C(CO)O,
,,,EDO:C:428,invalid,,,,,C(CO)O,
,,,EDO:C:452,invalid,,,,,C(CO)O,
,,,EDO:D:418,invalid,,,,,C(CO)O,
,,,EDO:D:419,invalid,,,,,C(CO)O,
,,,EDO:D:422,invalid,,,,,C(CO)O,
,,,EDO:D:425,invalid,,,,,C(CO)O,
,,,EDO:D:426,invalid,,,,,C(CO)O,
,,,EDO:D:427,invalid,,,,,C(CO)O,
,,,EDO:D:428,invalid,,,,,C(CO)O,
,,,EDO:D:453,invalid,,,,,C(CO)O,
,,,EDO:D:454,invalid,,,,,C(CO)O,
,,,EDO:E:425,invalid,,,,,C(CO)O,
,,,EDO:E:426,invalid,,,,,C(CO)O,
,,,EDO:E:427,invalid,,,,,C(CO)O,
,,,EDO:E:428,invalid,,,,,C(CO)O,
,,,EDO:E:450,invalid,,,,,C(CO)O,
,,,EDO:E:452,invalid,,,,,C(CO)O,
,,,EDO:E:453,invalid,,,,,C(CO)O,
,,,EDO:E:454,invalid,,,,,C(CO)O,
,,,EDO:F:418,invalid,,,,,C(CO)O,
,,,EDO:F:419,invalid,,,,,C(CO)O,
,,,EDO:F:420,invalid,,,,,C(CO)O,
,,,EDO:F:422,invalid,,,,,C(CO)O,
,,,EDO:F:424,invalid,,,,,C(CO)O,
,,,EDO:F:425,invalid,,,,,C(CO)O,
,,,EDO:F:427,invalid,,,,,C(CO)O,
,,,EDO:F:432,invalid,,,,,C(CO)O,
,,,EDO:F:450,invalid,,,,,C(CO)O,
,,,EDO:F:451,invalid,,,,,C(CO)O,
,,,EDO:F:452,invalid,,,,,C(CO)O,
,,,EDO:G:420,invalid,,,,,C(CO)O,
,,,EDO:G:422,invalid,,,,,C(CO)O,
,,,EDO:G:425,invalid,,,,,C(CO)O,
,,,EDO:G:426,invalid,,,,,C(CO)O,
,,,EDO:G:427,invalid,,,,,C(CO)O,
,,,EDO:G:450,invalid,,,,,C(CO)O,
,,,EDO:G:452,invalid,,,,,C(CO)O,
,,,EDO:H:422,invalid,,,,,C(CO)O,
,,,EDO:H:423,invalid,,,,,C(CO)O,
,,,EDO:H:425,invalid,,,,,C(CO)O,
,,,EDO:H:426,invalid,,,,,C(CO)O,
,,,EDO:H:427,invalid,,,,,C(CO)O,
,,,EDO:H:429,invalid,,,,,C(CO)O,
,,,EDO:H:450,invalid,,,,,C(CO)O,
,,,EDO:H:451,invalid,,,,,C(CO)O,
,,,EDO:H:452,invalid,,,,,C(CO)O,
,,,GSH:A:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:H:999,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4GYI,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5TUF,,,,,,,
,,,TDC:B:405,valid,ic50,=,83.2,uM,Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5TUI,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CTC:B:405,valid,,,,,C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O,
,,5TUE,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3JYY,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,PPV:A:738,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:738,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,5FHI,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1O69,,,,,,,
,,,BME:A:403,invalid,,,,,C(CS)O,
,,,BME:B:403,invalid,,,,,C(CS)O,
,,,X04:A:402,valid,,,,,Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O,
,,,X04:B:395,valid,,,,,Cc1c(c(c(c(n1)N)COP(=O)(O)O)C=O)O,
,,4ZTC,,,,,,,
,,,4RA:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NC(=O)C)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O,
,,1O61,,,,,,,
,,,ACT:A:395,invalid,,,,,CC(=O)[O-],
,,,ACT:B:395,invalid,,,,,CC(=O)[O-],
,,,ACT:B:396,invalid,,,,,CC(=O)[O-],
,,,ACT:B:397,invalid,,,,,CC(=O)[O-],
,,,ACT:B:398,invalid,,,,,CC(=O)[O-],
,,,PLP:A:396,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:399,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,6K9Z,,,,,,,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,UDP:A:405,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,FE:B:1004,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,4ZM4,,,,,,,
,,,P3B:B:501,valid,,,,,CC1=C(/C(=CN=C2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,P3B:E:501,valid,,,,,CC1=C(/C(=CN=C2/C=C(C[C@H]([C@@H]2O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,PLP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,4ZM3,,,,,,,
,,,PEG:D:503,invalid,,,,,C(COCCO)O,
,,,PEG:D:502,invalid,,,,,C(COCCO)O,
,,,PEG:D:504,invalid,,,,,C(COCCO)O,
,,,PLP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PGE:C:502,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5U19,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,827:A:403,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N)N)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5U1E,,,,,,,
,,,9CS:A:401,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5U4T,,,,,,,
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:A:413,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:408,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:412,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:411,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:A:409,invalid,,,,,[I-],
,,,IOD:A:410,invalid,,,,,[I-],
,,,TRS:A:415,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SAH:A:414,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5U0N,,,,,,,
,,,7XP:A:403,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5U0T,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,7QM:A:402,valid,,,,,CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O,
,,5TYQ,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5U1I,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,7QM:A:403,valid,,,,,CN[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N)N)CO)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,5U18,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GET:A:402,valid,,,,,C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O,
,Family. Representative Entry is ,5IH1,,,,,,,
,,,6BQ:A:404,valid,,,,,C[C@@H]1CC/C=C/C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)OP(=O)(O)O)CCO)C)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IGY,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ERY:A:403,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,5IGV,,,,,,,
,,,ZIT:A:404,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,5IGZ,,,,,,,
,,,SPR:A:404,valid,,,,,C[C@@H]1CC=CC=C[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@H]4CC[C@@H]([C@H](O4)C)N(C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IGW,,,,,,,
,,,CTY:A:404,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IH0,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,GDP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ERY:A:404,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,5IWU,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,ERY:A:404,valid,,,,,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,Family. Representative Entry is ,6BFH,,,,,,,
,,,KAN:A:201,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6QXR,,,,,,,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CA:A:304,invalid,,,,,[Ca+2],
,,6QYG,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6QXQ,,,,,,,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6QYF,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6QWU,,,,,,,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2Z4T,,,,,,,
,,,C5P:A:1427,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:3000,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,MG:A:5000,Part of Protein,,,,,[Mg+2],
,,,MG:A:5001,Part of Protein,,,,,[Mg+2],
,,,MG:A:5002,Part of Protein,,,,,[Mg+2],
,,,PO4:A:4000,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:4001,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,4RHY,,,,,,,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,3QG:D:303,valid,Ki,=,1.13,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O,
,,,3QG:C:303,valid,Ki,=,1.13,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O,
,,,3QG:B:303,valid,Ki,=,1.13,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O,
,,,3QG:A:303,valid,Ki,=,1.13,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)NC=NC2=O,
,,4RHX,,,,,,,
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,3QF:A:301,valid,Ki,=,1.6,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,3QF:B:301,valid,Ki,=,1.6,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,3QF:D:301,valid,Ki,=,1.6,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N,
,,,3QF:C:301,valid,Ki,=,1.6,uM,c1nc2c(n1CCN(CCN(CCP(=O)(O)O)CC=O)CCP(=O)(O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4RVG,,,,,,,
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,SAM:A:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,TYD:A:502,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4RVD,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,SAM:A:502,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4RV9,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,4RVH,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,3YN:A:503,valid,,,,,C[C@@H]1C(=O)[C@@H](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3P7N,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4F0B,,,,,,,
,,,GDS:B:301,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:A:301,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2ZBA,,,,,,,
,,,CA:A:460,Part of Protein,,,,,[Ca+2],
,,,CA:A:461,Part of Protein,,,,,[Ca+2],
,,,COA:A:462,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:460,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:460,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:460,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DMS:B:462,invalid,,,,,CS(=O)C,
,,,GOL:C:462,invalid,,,,,C(C(CO)O)O,
,,,ZBA:A:463,valid,,,,,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,
,,,ZBA:B:461,valid,,,,,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,
,,,ZBA:C:461,valid,,,,,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,
,,,ZBA:D:461,valid,,,,,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,
,Family. Representative Entry is ,2QBU,,,,,,,
,,,SAH:B:501,valid,Kd,=,0.645,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:502,valid,Kd,=,0.645,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5HTX,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5HTV,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6GMG,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,ASP ILE PRO ILE GLY OAS LYS MET THR:D:1,invalid,,,,,,
,,,ASP ILE PRO ILE GLY OAS LYS MET THR:C:1,invalid,,,,,,
,,,FLC:A:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,6D5W,,,,,,,
,,,FVV:S:1101,valid,,,,,c1ccc2c(c1)N3CCCN=C3N2Cc4ccc(cc4)F,
,,,GNP:Q:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:Q:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OF1,,,,,,,
,,,CMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,4JD0,,,,,,,
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,NA:A:310,invalid,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,NA:A:315,Part of Protein,,,,,[Na+],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,1KH:A:301,valid,,,,,C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O,
,Family. Representative Entry is ,3Q78,,,,,,,
,,,3CX:B:522,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:B:523,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,FPS:B:524,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5ZYS,,,,,,,
,,,LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL:B:1247,valid,Kd,=,0.54,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)Cc1ccccc1)CCC(=O)[O-])CC(C)C)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(C)C)C(C)C,
,Family. Representative Entry is ,5H5L,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1Q7E,,,,,,,
,,,MET:A:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MPD:A:1000,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1100,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1200,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1300,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:900,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1PT8,,,,,,,
,,,ACO:A:751,invalid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:752,invalid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,OXL:A:802,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:801,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,1PT5,,,,,,,
,,,ACO:A:901,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:801,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,1Q6Y,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MPD:A:1000,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1100,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1200,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:600,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:900,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,2RKV,,,,,,,
,,,COA:A:452,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MPO:A:453,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,ZBA:A:454,valid,,,,,CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)OC(=O)C)C)COC(=O)C,
,,3B2S,,,,,,,
,,,B2S:A:455,valid,,,,,CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO,
,,,COA:A:454,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:452,Part of Protein,,,,,[Mg+2],
,,,MPO:A:456,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NA:A:453,invalid,,,,,[Na+],
,,3B30,,,,,,,
,,,ETB:A:452,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NC)O,
,,,MPO:A:453,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,Family. Representative Entry is ,4Q86,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:H:604,Part of Protein,,,,,[Mg+2],
,,,MG:E:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:H:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:G:602,Part of Protein,,,,,[Mg+2],
,,,MG:G:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:E:604,Part of Protein,,,,,[Mg+2],
,,,MG:G:604,Part of Protein,,,,,[Mg+2],
,,,MG:E:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,AMP:G:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:H:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:E:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3FP0,,,,,,,
,,,EPE:A:522,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FP0:A:520,valid,,,,,CC1=C[C@@H]2[C@](CC1)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO,
,,,GLC Z9N:B:1,invalid,,,,,,
,Family. Representative Entry is ,6G4E,,,,,,,
,,,PLP ACA:A:501,valid,,,,,P(=O)(OCC=1C(=CNCCCCCC(=O)[O-])C(O)=C(C)NC=1)([O-])[O-],
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,6G4F,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,6G4B,,,,,,,
,,,SIN:A:501,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:501,valid,,,,,C(CC(=O)O)C(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6YJW,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,2O1O,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,RIS:A:400,valid,Ki,=,0.38,nM,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,RIS:B:400,valid,Ki,=,0.38,nM,c1cc(cnc1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,2Q58,,,,,,,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:A:4,Part of Protein,,,,,[Mg+2],
,,,MG:A:5,Part of Protein,,,,,[Mg+2],
,,,MG:B:6,Part of Protein,,,,,[Mg+2],
,,,MG:B:7,Part of Protein,,,,,[Mg+2],
,,,MG:B:8,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:1,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,ZOL:B:2,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,Family. Representative Entry is ,4GBM,,,,,,,
,,,A3P:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:412,invalid,,,,,[Cl-],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,P6G:A:417,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:418,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3Q3H,,,,,,,
,,,GOL:B:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:623,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:621,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:621,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6CUP,,,,,,,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,FFV:B:2001,valid,,,,,C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c4)Cl)F,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3SFX,,,,,,,
,,,3FX:B:522,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:523,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:524,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,FII:B:525,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,JAN:B:526,valid,,,,,Cn1cncc1[C@@](c2ccc(cc2)Cl)(c3ccc4c(c3)C(=CC(=O)N4C)c5cccc(c5)Cl)N,
,,,SO4:B:527,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,,3SFY,,,,,,,
,,,3FX:B:522,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:523,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:524,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FY:B:525,valid,,,,,Cc1ccccc1C[N@@](CC[N@@](Cc2cncn2C)c3ccc(cc3)Br)S(=O)(=O)c4cn(cn4)C,
,,,FII:B:526,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,SO4:B:527,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,,3Q7F,,,,,,,
,,,3CX:B:522,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:B:523,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:B:524,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,ED2:B:1003,valid,,,,,Cn1cc(nc1)S(=O)(=O)[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4,
,,,FPP:B:525,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,SO4:B:526,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3Q7A,,,,,,,
,,,3FX:B:522,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:523,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,3FX:B:524,invalid,,,,,C1CCC(CC1)NC[C@H](CS(=O)(=O)O)O,
,,,778:B:3012,valid,,,,,c1cc(cc(c1)Cl)N2CC[N@@](CC2=O)Cc3cncn3Cc4ccc(cc4)C#N,
,,,FPP:B:3011,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,SO4:B:525,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,3Q75,,,,,,,
,,,3CX:B:523,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:B:524,invalid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,FII:B:522,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C,
,,,THR LYS CYS VAL VAL MET:G:6,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCCC[NH3+])CS)C(C)C)C(C)C)C(=O)[O-])C,
,,,ZN:B:521,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4XPL,,,,,,,
,,,ACO:A:701,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6K3L,,,,,,,
,,,3NG:B:401,valid,Kd,=,60.1,nM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6KO6,,,,,,,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,6ISJ,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3NG:A:401,valid,,,,,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,Family. Representative Entry is ,4AVB,,,,,,,
,,,ACO:A:1338,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1342,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACT:B:1341,invalid,,,,,CC(=O)[O-],
,,,CMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,EDO:A:1333,invalid,,,,,C(CO)O,
,,,EDO:A:1334,invalid,,,,,C(CO)O,
,,,EDO:A:1335,invalid,,,,,C(CO)O,
,,,EDO:A:1336,invalid,,,,,C(CO)O,
,,,EDO:B:1333,invalid,,,,,C(CO)O,
,,,EDO:B:1334,invalid,,,,,C(CO)O,
,,,EDO:B:1335,invalid,,,,,C(CO)O,
,,,EDO:B:1336,invalid,,,,,C(CO)O,
,,,PEG:A:1337,invalid,,,,,C(COCCO)O,
,,,PEG:B:1337,invalid,,,,,C(COCCO)O,
,,,PEG:B:1338,invalid,,,,,C(COCCO)O,
,,,PEG:B:1339,invalid,,,,,C(COCCO)O,
,,,PEG:B:1340,invalid,,,,,C(COCCO)O,
,,4AVA,,,,,,,
,,,ACO:A:1334,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACT:A:1335,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1336,invalid,,,,,C(CO)O,
,,,EDO:A:1337,invalid,,,,,C(CO)O,
,,,EDO:A:1338,invalid,,,,,C(CO)O,
,,,EDO:A:1339,invalid,,,,,C(CO)O,
,,,MG:A:1342,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1340,invalid,,,,,C(COCCO)O,
,,,PEG:A:1341,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3I0O,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,SMI:A:340,valid,,,,,C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O,
,Family. Representative Entry is ,4KQL,,,,,,,
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,PG4:A:510,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:509,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1SG:A:511,valid,ic50,=,0.0017,uM,COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O,
,,2V0K,,,,,,,
,,,PG4:A:1455,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1456,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1457,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:1454,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4E1K,,,,,,,
,,,0N5:A:505,valid,Kd,=,0.5,uM,COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,4KNX,,,,,,,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,1S9:A:501,valid,ic50,=,3.2,uM,COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4,
,,4KPZ,,,,,,,
,,,PG4:A:510,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:511,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1SF:A:501,valid,,,,,c1cc(cc(c1)[N+](=O)[O-])N2CCC(=O)NC2=O,
,,,MG:A:509,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,2V0I,,,,,,,
,,,PEG:A:1458,invalid,,,,,C(COCCO)O,
,,,PG4:A:1456,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1457,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD1:A:1455,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,2V0L,,,,,,,
,,,PG4:A:1455,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1456,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1457,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URI:A:1454,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,2V0J,,,,,,,
,,,H2U:A:1453,valid,,,,,C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:1454,Part of Protein,,,,,[Mg+2],
,,,MG:A:1455,Part of Protein,,,,,[Mg+2],
,,,PG4:A:1456,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1457,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1458,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KPX,,,,,,,
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:508,Part of Protein,,,,,[Mg+2],
,,,PG4:A:510,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:509,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1SE:A:511,valid,ic50,=,0.05,uM,c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O,
,,4KNR,,,,,,,
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,PG4:A:502,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,1S8:A:501,valid,ic50,=,1.8,uM,COc1cc2c(cc1O)nc(nc2Nc3ccc(cc3)NC(=O)c4ccccc4)Cc5ccccc5,
,,2VD4,,,,,,,
,,,MG:A:1463,Part of Protein,,,,,[Mg+2],
,,,MG:A:1464,Part of Protein,,,,,[Mg+2],
,,,P21:A:1454,valid,ic50,=,18,uM,COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl,
,,,PG4:A:1460,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1461,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:1462,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1465,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1PUA,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,1PU9,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6TWU,,,,,,,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,CA:B:906,invalid,,,,,[Ca+2],
,,,CA:A:907,invalid,,,,,[Ca+2],
,,,CA:B:907,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,invalid,,,,,[Ca+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,CA:A:908,Part of Protein,,,,,[Ca+2],
,,,CA:B:908,invalid,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:909,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
,,,CA:A:906,Part of Protein,,,,,[Ca+2],
,,,CIT:B:901,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:902,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:903,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SER SER ARG THR ARG ARG GLU GLU GLN LEU:C:156,valid,Kd,~,1,mM,O=C([O-])C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CCC(=O)N)CC(C)C,
,,6TWX,,,,,,,
,,,CA:A:907,Part of Protein,,,,,[Ca+2],
,,,CA:B:906,invalid,,,,,[Ca+2],
,,,CA:A:903,invalid,,,,,[Ca+2],
,,,CA:B:907,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,invalid,,,,,[Ca+2],
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,CA:B:908,invalid,,,,,[Ca+2],
,,,CA:A:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
,,,CA:B:909,Part of Protein,,,,,[Ca+2],
,,,CA:A:906,invalid,,,,,[Ca+2],
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:901,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:902,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:903,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SER SER ARG THR ARG ARG GLU TPO GLN LEU:D:156,valid,Kd,~,2.5,mM,P(=O)(OC(C(NC(=O)C(N)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)N)C)([O-])[O-],
,,,SER SER ARG THR ARG ARG GLU TPO GLN LEU:C:155,valid,Kd,~,2.5,mM,P(=O)(OC(C(NC(=O)C(N)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)N)C)([O-])[O-],
,Family. Representative Entry is ,4BGB,,,,,,,
,,,MG:B:1361,Part of Protein,,,,,[Mg+2],
,,,MG:B:1359,Part of Protein,,,,,[Mg+2],
,,,MG:B:1360,invalid,,,,,[Mg+2],
,,,MG:A:1358,Part of Protein,,,,,[Mg+2],
,,,K:B:1358,Part of Protein,,,,,[K+],
,,,K:A:1357,Part of Protein,,,,,[K+],
,,,K:A:1356,Part of Protein,,,,,[K+],
,,,K:B:1357,Part of Protein,,,,,[K+],
,,,GOL:B:1356,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1353,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1359,Part of Protein,,,,,[Ca+2],
,,,ADP:A:1352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1F3L,,,,,,,
,,,SAH:A:529,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1Z0N,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,1Z0M,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,1U5R,,,,,,,
,,,ATP:A:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:412,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1Q20,,,,,,,
,,,A3P:A:314,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,,PLO:A:401,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,1Q22,,,,,,,
,,,A3P:A:314,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,AND:A:401,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C,
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,1Q1Z,,,,,,,
,,,A3P:A:314,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NA:A:313,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6GTQ,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:B:201,invalid,,,,,[Cl-],
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:B:208,invalid,,,,,CC(=O)[O-],
,,,ACT:B:206,invalid,,,,,CC(=O)[O-],
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,IOD:B:209,invalid,,,,,[I-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FLC:B:205,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,4EU7,,,,,,,
,,,CIT:A:2502,valid,Ki,=,150,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2502,valid,Ki,=,150,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5E5H,,,,,,,
,,,0T1:B:603,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,0T1:A:603,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:607,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,ACE:A:604,invalid,,,,,CC=O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,ACT:B:604,invalid,,,,,CC(=O)[O-],
,,4EUA,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5DW5,,,,,,,
,,,0T1:B:603,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,0T1:A:603,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,IMD:A:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:605,invalid,,,,,c1c[nH+]c[nH]1,
,,4EU9,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4EUB,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5DW6,,,,,,,
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,0T1:B:604,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,0T1:A:602,valid,,,,,CCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,4EU3,,,,,,,
,,,CIT:B:2502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,4EU8,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5DDK,,,,,,,
,,,COA:A:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,IMD:A:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:605,invalid,,,,,c1c[nH+]c[nH]1,
,,4EUD,,,,,,,
,,,CIT:B:2502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4EU5,,,,,,,
,,,CL:A:515,invalid,,,,,[Cl-],
,,,CL:A:516,invalid,,,,,[Cl-],
,,,CL:B:515,invalid,,,,,[Cl-],
,,,CL:B:516,invalid,,,,,[Cl-],
,,,COA:A:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:2598,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6UUY,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:306,invalid,,,,,[Ca+2],
,,,QHM:A:302,valid,Kd,=,2.5,uM,CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO,
,,,QHM:B:302,valid,Kd,=,2.5,uM,CCN(CC)CCNc1ccc(c2c1C(=O)c3ccccc3S2)CO,
,,,A3P:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,BCN:B:305,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5TIX,,,,,,,
,,,OQR:B:302,valid,,,,,CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,,OQR:A:302,valid,,,,,CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,5TIY,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,OAQ:A:302,valid,,,,,CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,5TIV,,,,,,,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5TIW,,,,,,,
,,,CA:A:305,invalid,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,A3P:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,PGE:B:304,invalid,,,,,C(COCCOCCO)O,
,,,BCN:A:306,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,OAQ:A:302,valid,,,,,CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,,,OAQ:B:302,valid,,,,,CC(C)NC[C@@H]1CCc2cc(c(cc2N1)[N+](=O)[O-])CO,
,Family. Representative Entry is ,6E0L,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,2KH:A:303,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,APC:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4NV1,,,,,,,
,,,0FX:C:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:G:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:E:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,TYD:D:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:F:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:H:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,PO4:H:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4TG:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)NC=O,
,Family. Representative Entry is ,5X0J,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,SEP:A:302,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,5X0E,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,SEP:A:302,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,5X0B,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5X0K,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,5X0G,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,7WF:A:303,invalid,,,,,C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O,
,,5X0F,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6F5Z,,,,,,,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6H40,,,,,,,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,SAH:A:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,FW5:A:604,valid,,,,,COC[C@H](CO)O,
,,6G7D,,,,,,,
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6G80,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:M:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3MQ2,,,,,,,
,,,SAH:A:216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:216,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6HPE,,,,,,,
,,,GVX:B:302,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GVX:A:301,valid,,,,,c1ccc(cc1)CCNC(=S)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:305,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,,PG4:B:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,6F69,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,CUH:B:300,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O,
,,,CUH:A:300,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2O)O)O,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,6F67,,,,,,,
,,,PEG:B:301,invalid,,,,,C(COCCO)O,
,,,PEG:A:301,invalid,,,,,C(COCCO)O,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CUQ:B:302,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2)O)O,
,,,CUQ:A:300,valid,,,,,c1ccc(cc1)C(=O)c2ccc(c(c2)O)O,
,,6F51,,,,,,,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CNZ:A:500,valid,,,,,c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,CNZ:B:502,valid,,,,,c1ccc(cc1)c2ccc(cc2)C(=O)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,6F68,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:303,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,4EU:B:302,valid,,,,,c1cc(ccc1C(=O)c2ccc(cc2O)O)O,
,,,4EU:A:301,valid,,,,,c1cc(ccc1C(=O)c2ccc(cc2O)O)O,
,,,PG4:B:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,6F6A,,,,,,,
,,,CU5:A:301,valid,,,,,COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O,
,,,CU5:B:301,valid,,,,,COc1c(cc(c2c1O[C@@H](CC2=O)c3ccccc3)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,PG4:A:303,invalid,,,,,C(COCCOCCOCCO)O,
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,6F4F,,,,,,,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GDN:A:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,6F4K,,,,,,,
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GTX:A:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:A:300,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,GTX:B:301,valid,,,,,CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+],
,,,PEG:B:304,invalid,,,,,C(COCCO)O,
,,6F66,,,,,,,
,,,CUT:B:300,valid,,,,,c1ccc(cc1)C(=O)c2ccc(cc2O)O,
,,,CUT:A:300,valid,,,,,c1ccc(cc1)C(=O)c2ccc(cc2O)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:303,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,6F4B,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2YCD,,,,,,,
,,,GTB:A:501,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2I04,,,,,,,
,,,ARG ARG ARG GLU THR GLN VAL:C:2002,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,,,ARG ARG ARG GLU THR GLN VAL:D:2000,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:900,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5GM1,,,,,,,
,,,SAH:L:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:K:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:P:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:M:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:Q:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:R:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:N:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:O:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4YMH,,,,,,,
,,,SAH:A:1001,valid,Kd,=,3.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1001,valid,Kd,=,3.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:1001,valid,Kd,=,3.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:1001,valid,Kd,=,3.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PEG:B:1003,invalid,,,,,C(COCCO)O,
,,,PEG:B:1002,invalid,,,,,C(COCCO)O,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,,,PEG:D:1002,invalid,,,,,C(COCCO)O,
,,4YMG,,,,,,,
,,,SAM:A:1001,valid,Kd,=,21,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:1001,valid,Kd,=,21,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:1005,invalid,,,,,[Mg+2],
,,,PO4:B:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PG4:A:1004,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,5F2K,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,OCA:B:401,valid,,,,,CCCCCCCC(=O)O,
,,,OCA:A:401,valid,,,,,CCCCCCCC(=O)O,
,,5F2O,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5UF:B:401,valid,,,,,CCCCCCC[C@@H](CC(=O)O)O,
,,,5UF:A:401,valid,,,,,CCCCCCC[C@@H](CC(=O)O)O,
,,5F2N,,,,,,,
,,,SAH:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5UF:B:401,valid,,,,,CCCCCCC[C@@H](CC(=O)O)O,
,,,5UF:A:401,valid,,,,,CCCCCCC[C@@H](CC(=O)O)O,
,Family. Representative Entry is ,3WR7,,,,,,,
,,,SPD:D:201,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:201,valid,,,,,C(CCNCCCN)CN,
,,,SPD:C:201,valid,,,,,C(CCNCCCN)CN,
,,,SPD:A:201,valid,,,,,C(CCNCCCN)CN,
,,,COA:A:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2C2A,,,,,,,
,,,ADP:A:1481,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:1482,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4R57,,,,,,,
,,,PEG:H:202,invalid,,,,,C(COCCO)O,
,,,PEG:C:202,invalid,,,,,C(COCCO)O,
,,,PEG:G:202,invalid,,,,,C(COCCO)O,
,,,ACO:E:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:L:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:G:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:J:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:I:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:H:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:K:201,valid,Kd,=,610,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PG4:B:202,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2OVR,,,,,,,
,,,SER LEU ILE PRO TPO PRO ASP LYS:C:58,valid,,,,,P(=O)(OC(C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)C(CC)C)CCC1)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CC(=O)[O-])CCC1)C)([O-])[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3O2K,,,,,,,
,,,CL:A:476,invalid,,,,,[Cl-],
,,,CL:A:477,invalid,,,,,[Cl-],
,,,DST:A:501,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,MES:A:475,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,QRP:A:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3,
,Family. Representative Entry is ,5ULP,,,,,,,
,,,URE:B:305,invalid,,,,,C(=O)(N)N,
,,,URE:A:307,invalid,,,,,C(=O)(N)N,
,,,URE:B:307,invalid,,,,,C(=O)(N)N,
,,,URE:A:306,invalid,,,,,C(=O)(N)N,
,,,URE:B:303,invalid,,,,,C(=O)(N)N,
,,,URE:B:306,invalid,,,,,C(=O)(N)N,
,,,URE:B:304,invalid,,,,,C(=O)(N)N,
,,,URE:A:305,invalid,,,,,C(=O)(N)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,IPA:A:308,invalid,,,,,CC(C)O,
,,,KB1:B:301,valid,Kd,=,24.3,uM,c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F,
,,,KB1:A:301,valid,Kd,=,24.3,uM,c1cc(ccc1CN(CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)F,
,,,NA:B:308,invalid,,,,,[Na+],
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,5M5B,,,,,,,
,,,SAM:A:1001,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1103,invalid,,,,,C(C(CO)O)O,
,,,CL:B:1104,invalid,,,,,[Cl-],
,,5GOZ,,,,,,,
,,,SIN:B:304,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:304,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:303,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,POP:C:305,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5GP1,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:307,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,GTA:A:306,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,GTA:C:303,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,GTA:B:303,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O,
,,,NI:C:302,Part of Protein,,,,,[Ni+2],
,,5KQR,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,5NJU,,,,,,,
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,LEU GLY SER GLY THR ARG:B:265,invalid,,,,,,
,,,SAH:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5MRK,,,,,,,
,,,SFG:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5NJV,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,5WXB,,,,,,,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5KQS,,,,,,,
,,,M7G:A:301,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,SAM:A:307,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1ZP9,,,,,,,
,,,ATP:A:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:259,Part of Protein,,,,,[Mn+2],
,,,MN:B:259,Part of Protein,,,,,[Mn+2],
,,,MN:C:259,Part of Protein,,,,,[Mn+2],
,,,MN:D:259,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1NUS,,,,,,,
,,,APC:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,NMN:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NUP,,,,,,,
,,,NMN:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,NMN:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NUT,,,,,,,
,,,APC:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NUU,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1NUQ,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DND:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,,,DND:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)O,
,Family. Representative Entry is ,3LKZ,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SFG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,4KRI,,,,,,,
,,,1SH:B:702,valid,,,,,CNCCOP(=O)(O)O,
,,,1SH:C:702,valid,,,,,CNCCOP(=O)(O)O,
,,,1SH:A:702,valid,,,,,CNCCOP(=O)(O)O,
,,,SAH:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1GJW,,,,,,,
,,,GLC:A:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PO4:A:697,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:698,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:699,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2HNK,,,,,,,
,,,PEG:A:3001,invalid,,,,,C(COCCO)O,
,,,PEG:A:3003,invalid,,,,,C(COCCO)O,
,,,PEG:A:3004,invalid,,,,,C(COCCO)O,
,,,PEG:A:3007,invalid,,,,,C(COCCO)O,
,,,PEG:B:3006,invalid,,,,,C(COCCO)O,
,,,PEG:C:3002,invalid,,,,,C(COCCO)O,
,,,PEG:C:3005,invalid,,,,,C(COCCO)O,
,,,SAH:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6L2C,,,,,,,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6COJ,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F8G:B:301,valid,,,,,C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O,
,,6CO9,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F8G:B:302,valid,,,,,C[C@@H]1CCC(=C([C@@]12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5CDH,,,,,,,
,,,TLA:A:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:H:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:G:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:F:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:E:401,valid,Ki,=,4.3,uM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:F:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:405,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:H:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4KIL,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,1R5:A:305,valid,ic50,=,0.5,uM,c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AWF,,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:302,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:302,Part of Protein,,,,,[Mn+2],
,,,XI7:A:303,valid,ic50,=,2.7,uM,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:B:303,valid,ic50,=,2.7,uM,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:C:303,valid,ic50,=,2.7,uM,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:D:303,valid,ic50,=,2.7,uM,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,Family. Representative Entry is ,5Y72,,,,,,,
,,,DST:A:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,5YNW,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DST:A:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:402,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,8XL:B:401,valid,,,,,[C-]#[N+]/C=Cc1c[nH]c2c1cccc2,
,,5YNU,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:404,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:405,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,DMA:B:401,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,POP:A:407,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,8XL:A:401,valid,,,,,[C-]#[N+]/C=Cc1c[nH]c2c1cccc2,
,,,8XL:B:402,valid,,,,,[C-]#[N+]/C=Cc1c[nH]c2c1cccc2,
,,5Y84,,,,,,,
,,,8P6:B:401,valid,,,,,C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C,
,,,8P6:A:401,valid,,,,,C[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)C=C,
,,,DST:A:402,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:402,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,5YNV,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,DST:A:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,5Y7C,,,,,,,
,,,DST:A:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:401,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,8O0:A:402,valid,,,,,C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C,
,,,8O0:B:402,valid,,,,,C[C@@]1([C@@H](C[C@H]2[C@@H]([C@H]1[N+]#[C-])c3c[nH]c4c3c(ccc4)C2(C)C)Cl)C=C,
,,5YNT,,,,,,,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMA:B:401,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:A:401,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,6OS6,,,,,,,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,TRP:A:402,valid,Kd,=,1.1,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,DST:A:401,valid,Kd,=,1,uM,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,BEZ:A:406,invalid,,,,,c1ccc(cc1)C(=O)O,
,,6OS5,,,,,,,
,,,DPO:C:401,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,DPO:B:402,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,BEZ:A:402,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,TRP:A:401,valid,Kd,=,4.4,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:401,valid,Kd,=,4.4,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,IMD:B:403,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,6FUX,,,,,,,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SRY:A:303,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6E0O,,,,,,,
,,,ATP A  :B:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,ATP A  :C:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6E0N,,,,,,,
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:303,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2FNU,,,,,,,
,,,PMP UD1:A:901,valid,,,,,P(=O)(OP(=O)(OC1C(NC(=O)C)C(O)C([NH2+]Cc2c(O)c(C)ncc2COP(=O)([O-])[O-])C(C)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,,,PMP UD1:B:903,valid,,,,,P(=O)(OP(=O)(OC1C(NC(=O)C)C(O)C([NH2+]Cc2c(O)c(C)ncc2COP(=O)([O-])[O-])C(C)O1)[O-])(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)[O-],
,Family. Representative Entry is ,2C49,,,,,,,
,,,ADN:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ANP:A:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1302,invalid,,,,,[Mg+2],
,,,MG:A:1303,invalid,,,,,[Mg+2],
,,,MG:B:1302,invalid,,,,,[Mg+2],
,,,MG:B:1303,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6DNZ,,,,,,,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TRS:C:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1JYL,,,,,,,
,,,CDC:A:1991,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,CDC:B:2991,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,CDC:C:3991,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,CDC:D:4991,valid,,,,,C[N+](C)(C)CCO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O,
,,,MG:A:1996,Part of Protein,,,,,[Mg+2],
,,,MG:B:2996,Part of Protein,,,,,[Mg+2],
,,,MG:C:3996,Part of Protein,,,,,[Mg+2],
,,,MG:D:4996,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2P6W,,,,,,,
,,,FLC:A:802,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MN:A:214,Part of Protein,,,,,[Mn+2],
,,2P72,,,,,,,
,,,MN:A:214,Part of Protein,,,,,[Mn+2],
,,,MN:B:214,Part of Protein,,,,,[Mn+2],
,,,UPG:B:215,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2P73,,,,,,,
,,,MN:A:214,Part of Protein,,,,,[Mn+2],
,,,UDP:A:411,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3UR0,,,,,,,
,,,SO4:A:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SVR:B:516,valid,ic50,=,70,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:C:516,valid,ic50,=,70,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:C:517,valid,ic50,=,70,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,4NRU,,,,,,,
,,,2NG:B:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:E:1102,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:F:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:C:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:E:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:D:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,2NG:A:1101,valid,ic50,=,115,nM,Cc1ccc(cc1NC(=O)c2cccc(c2)[N+](=O)[O-])C(=O)Nc3ccc(c4c3c(ccc4)S(=O)(=O)O)S(=O)(=O)O,
,,,MG:C:1102,Part of Protein,,,,,[Mg+2],
,,,MG:D:1102,Part of Protein,,,,,[Mg+2],
,,,MG:B:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:F:1102,Part of Protein,,,,,[Mg+2],
,,,MG:E:1103,Part of Protein,,,,,[Mg+2],
,,3SFG,,,,,,,
,,,2TU:A:601,valid,Kd,=,0.865,uM,C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,2TU:B:601,valid,Kd,=,0.865,uM,C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,2TU:C:601,valid,Kd,=,0.865,uM,C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:621,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:622,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:618,invalid,,,,,C(C(CO)O)O,
,,,MG:A:623,Part of Protein,,,,,[Mg+2],
,,,MG:B:617,Part of Protein,,,,,[Mg+2],
,,,MG:C:619,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SFU,,,,,,,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:615,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:617,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:618,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:619,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:620,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:621,invalid,,,,,C(C(CO)O)O,
,,,MG:A:610,Part of Protein,,,,,[Mg+2],
,,,MG:B:609,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,RBV:A:601,valid,,,,,c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,
,,,RBV:B:601,valid,,,,,c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,
,,,RBV:C:601,valid,,,,,c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4O4R,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,20V:B:602,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,,,20V:A:602,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,,,20V:A:601,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,,,20V:C:602,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,,,20V:C:601,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,,,20V:B:601,valid,ic50,=,0.88,uM,Cc1c(c(c(c(n1)/N=N/c2cc3c(cc(cc3S(=O)(=O)O)[N+](=O)[O-])c(c2)S(=O)(=O)O)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1T8U,,,,,,,
,,,A3P:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,,SO4:A:700,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SGN IDS SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,1T8T,,,,,,,
,,,A3P:A:1302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CIT:B:1399,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5DIY,,,,,,,
,,,VAL PRO TYR SER SER ALA GLN NAG:P:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)Cc1ccc(O)cc1)COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,VAL PRO TYR SER SER ALA GLN NAG:Q:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C(C)C)CCC1)Cc1ccc(O)cc1)COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6APF,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6APG,,,,,,,
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1L3I,,,,,,,
,,,SAH:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:803,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:804,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:805,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:806,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5T67,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,MG:A:507,invalid,,,,,[Mg+2],
,,,MG:A:508,invalid,,,,,[Mg+2],
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,JHZ:B:503,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,,JHZ:A:503,valid,,,,,C[C@@H]1C(=O)[C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)N,
,,5T6B,,,,,,,
,,,TMP:A:504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:C:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:B:504,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:D:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SAH:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5T64,,,,,,,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,TMP:B:505,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,TMP:A:506,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,,,MG:A:504,invalid,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5TUK,,,,,,,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1P0H,,,,,,,
,,,ACO:A:600,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2C27,,,,,,,
,,,ACO:A:1313,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,COA:A:1314,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MA8:A:1312,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@@H]([C@H]2O)O)O)O)O)NC(=O)[C@H](CS)N)O)O)O,
,,1OZP,,,,,,,
,,,ACO:A:600,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5FVJ,,,,,,,
,,,ACO:A:1161,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1162,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6IO1,,,,,,,
,,,PMP:B:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,3H2B,,,,,,,
,,,PPV:A:302,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2WN6,,,,,,,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1421,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2WN7,,,,,,,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:1421,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1OLM,,,,,,,
,,,VTQ:A:1322,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C,
,,,VTQ:C:1323,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C,
,,,VTQ:E:1398,valid,,,,,CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)C,
,Family. Representative Entry is ,5WQJ,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:304,invalid,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,7N3:A:301,valid,Kd,=,3,uM,c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N,
,,,7N3:B:301,valid,Kd,=,3,uM,c1ccc2c(c1)C(=O)NC(=N2)SCC(=O)Nc3c(ccs3)C(=O)N,
,,5WQK,,,,,,,
,,,7NC:B:301,valid,Kd,=,0.5,uM,CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3,
,,,7NC:A:301,valid,Kd,=,0.5,uM,CC1=CC(=O)NC(=N1)SCC(=O)c2cccc3c2cccc3,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6ECW,,,,,,,
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6ECV,,,,,,,
,,,SAH:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:A:1302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4EE7,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,PIS:A:401,valid,,,,,OP(=O)(O)O[P@](=O)(O)[S-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1F9A,,,,,,,
,,,ATP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:705,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:706,invalid,,,,,[Mg+2],
,,,MG:B:709,invalid,,,,,[Mg+2],
,,,MG:C:708,invalid,,,,,[Mg+2],
,,,MG:D:707,invalid,,,,,[Mg+2],
,,,MG:E:801,invalid,,,,,[Mg+2],
,,,MG:F:800,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3BWN,,,,,,,
,,,PMP:A:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP PHE:F:1001,valid,,,,,,
,,,PO4:E:1001,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2ZW5,,,,,,,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5KNK,,,,,,,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,11A:B:410,valid,,,,,CCCCCCCCCCC(=O)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LMT:B:409,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:408,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,5Z8A,,,,,,,
,,,PLP JIA:A:501,valid,,,,,P(=O)(OCc1c(C[NH2+]CC2C(O)C(O)C([NH3+])C(OC3C(O)C(OC4C(O)C([NH2+]C)C(O)(C)CO4)C([NH3+])CC3[NH3+])O2)c(O)c(C)nc1)([O-])[O-],
,,,PLP JIA:B:501,valid,,,,,P(=O)(OCc1c(C[NH2+]CC2C(O)C(O)C([NH3+])C(OC3C(O)C(OC4C(O)C([NH2+]C)C(O)(C)CO4)C([NH3+])CC3[NH3+])O2)c(O)c(C)nc1)([O-])[O-],
,,6CBO,,,,,,,
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DOW:C:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:D:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:A:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,DOW:B:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H](C[C@H]([C@@H]([C@H]3O)O)N)N)N)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,MPO:C:501,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:501,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:501,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,5Z8K,,,,,,,
,,,PLP XXX:A:501,valid,,,,,P(=O)(OCc1c(C[NH2+]CC2C(O)C(O)C([NH3+])C(OC3C(O)C(O)C([NH3+])CC3[NH3+])O2)c(O)c(C)nc1)([O-])[O-],
,,,PLP XXX:B:501,valid,,,,,P(=O)(OCc1c(C[NH2+]CC2C(O)C(O)C([NH3+])C(OC3C(O)C(O)C([NH3+])CC3[NH3+])O2)c(O)c(C)nc1)([O-])[O-],
,Family. Representative Entry is ,5F8F,,,,,,,
,,,SFG:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1S4M,,,,,,,
,,,LUM:A:294,valid,,,,,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,LUM:B:594,valid,,,,,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,MG:A:295,Part of Protein,,,,,[Mg+2],
,,1T6X,,,,,,,
,,,ADP:A:294,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:594,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1T6Z,,,,,,,
,,,RBF:A:296,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:596,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,2J8R,,,,,,,
,,,AZI:A:1174,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:1175,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:1173,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:1174,invalid,,,,,[N-]=[N+]=[N-],
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1173,invalid,,,,,C(C(CO)O)O,
,,,MSL:A:1176,valid,,,,,C[S@](=N)(=O)CC[C@@H](C(=O)O)N,
,,,MSL:B:1175,valid,,,,,C[S@](=N)(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3GC0,,,,,,,
,,,AMP:A:309,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6CUO,,,,,,,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:A:203,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,GOL:B:2006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,FFS:B:2001,valid,,,,,c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccco4,
,Family. Representative Entry is ,1OJZ,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3NUB,,,,,,,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UD0:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O,
,,,UD0:B:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)C(=O)O)O[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3[C@@H]([C@@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)NC(=O)C)O,
,,3NU7,,,,,,,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:362,invalid,,,,,C(C(CO)O)O,
,,,PMP:A:361,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:361,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,1ZB6,,,,,,,
,,,DIN:A:401,valid,,,,,c1cc2cc(ccc2c(c1)O)O,
,,,GST:A:502,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:308,Part of Protein,,,,,[Mg+2],
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,1ZDW,,,,,,,
,,,FLV:A:401,valid,,,,,c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O,
,,,GST:A:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,NO3:A:701,invalid,,,,,[N+](=O)([O-])[O-],
,,1ZCW,,,,,,,
,,,GPP:A:401,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:602,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6K96,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6B3A,,,,,,,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,SAM:A:701,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6B3B,,,,,,,
,,,MLI:A:703,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MN:A:702,Part of Protein,,,,,[Mn+2],
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:701,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6B39,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:712,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4LY9,,,,,,,
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:702,invalid,,,,,[I-],
,,,IOD:B:701,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:701,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:B:702,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YY:A:714,valid,Kd,=,0.007,uM,C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4,
,,,1YY:B:716,valid,Kd,=,0.007,uM,C[C@H]1COCCN1C[C@H]2CN(CCN2c3ccc(cc3)[C@](C)(C(F)(F)F)O)S(=O)(=O)c4cccs4,
,,,S6P:A:713,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:715,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,GOL:B:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,4MQU,,,,,,,
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:714,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,GOL:B:716,invalid,,,,,C(C(CO)O)O,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,MG9:B:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N,
,,,MG9:A:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N,
,,4OLH,,,,,,,
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:714,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:A:715,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:716,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:720,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:717,invalid,,,,,C(C(CO)O)O,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,2TO:A:701,valid,,,,,c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O,
,,,2TO:B:701,valid,,,,,c1cc(cnc1)c2cc(cnc2N3CCN(CC3)S(=O)(=O)c4ccc(nc4)N)C(C(F)(F)F)(C(F)(F)F)O,
,,4OHP,,,,,,,
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:716,invalid,,,,,C(C(CO)O)O,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,2TJ:A:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N,
,,,2TJ:B:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)S(=O)(=O)NC)S(=O)(=O)c3ccc(nc3)N,
,,4MSU,,,,,,,
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,2EU:A:701,valid,ic50,=,1.42,uM,c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O,
,,,2EU:B:701,valid,ic50,=,1.42,uM,c1cc(sc1)S(=O)(=O)N2CCN(CC2)c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,SO4:B:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OHM,,,,,,,
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:716,invalid,,,,,C(C(CO)O)O,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,2TF:B:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N,
,,,2TF:A:701,valid,,,,,CC#C[C@H]1CN(CCN1c2ccc(cc2)[C@](CO)(C(F)(F)F)O)S(=O)(=O)c3ccc(nc3)N,
,,4MRO,,,,,,,
,,,SO4:B:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:719,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IOD:B:707,invalid,,,,,[I-],
,,,IOD:B:710,invalid,,,,,[I-],
,,,IOD:A:705,invalid,,,,,[I-],
,,,IOD:A:711,invalid,,,,,[I-],
,,,IOD:B:713,invalid,,,,,[I-],
,,,IOD:B:711,invalid,,,,,[I-],
,,,IOD:A:708,invalid,,,,,[I-],
,,,IOD:B:705,invalid,,,,,[I-],
,,,IOD:A:703,invalid,,,,,[I-],
,,,IOD:A:710,invalid,,,,,[I-],
,,,IOD:B:714,invalid,,,,,[I-],
,,,IOD:A:706,invalid,,,,,[I-],
,,,IOD:B:706,invalid,,,,,[I-],
,,,IOD:A:712,invalid,,,,,[I-],
,,,IOD:A:704,invalid,,,,,[I-],
,,,IOD:A:713,invalid,,,,,[I-],
,,,IOD:B:715,invalid,,,,,[I-],
,,,IOD:B:716,invalid,,,,,[I-],
,,,IOD:B:712,invalid,,,,,[I-],
,,,IOD:B:703,invalid,,,,,[I-],
,,,IOD:B:709,invalid,,,,,[I-],
,,,IOD:A:709,invalid,,,,,[I-],
,,,IOD:A:707,invalid,,,,,[I-],
,,,IOD:B:704,invalid,,,,,[I-],
,,,IOD:B:708,invalid,,,,,[I-],
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,MG0:B:701,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N,
,,,MG0:A:701,valid,,,,,c1cc(ccc1C(C(F)(F)F)(C(F)(F)F)O)N2CCN(CC2)S(=O)(=O)c3ccc(nc3)N,
,,,S6P:A:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,,S6P:B:702,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)O,
,,4BB9,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,F1P:A:702,valid,,,,,C1[C@H]([C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O,
,Family. Representative Entry is ,5KO1,,,,,,,
,,,6UY:A:501,valid,Kd,=,230,nM,c1ccc(cc1)[C@H](C(=O)Nc2ccc(cc2)F)OC(=O)c3c(nccn3)N,
,Family. Representative Entry is ,3W8S,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JPA,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4KRG,,,,,,,
,,,OPE:A:501,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:B:501,valid,,,,,C(COP(=O)(O)O)N,
,,,BOG:A:504,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:503,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:504,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:503,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,NA:B:505,invalid,,,,,[Na+],
,,,NA:A:505,invalid,,,,,[Na+],
,Family. Representative Entry is ,5IGI,,,,,,,
,,,ZIT:A:402,valid,Kd,=,0.17,uM,CC[C@@H]1[C@@]([C@@H]([C@H]([N@@](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,GMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,5IGT,,,,,,,
,,,ERY:A:402,valid,Kd,=,0.2,uM,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,TRS:A:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,5IGP,,,,,,,
,,,ERY:A:402,valid,Kd,=,0.2,uM,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IGR,,,,,,,
,,,NH4:A:405,invalid,,,,,[NH4+],
,,,NH4:A:403,invalid,,,,,[NH4+],
,,,NH4:A:406,invalid,,,,,[NH4+],
,,,NH4:A:404,invalid,,,,,[NH4+],
,,,ZIO:A:402,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,
,,,IPA:A:407,invalid,,,,,CC(C)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IGS,,,,,,,
,,,ZIO:A:402,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C,
,,,GMP:A:403,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,IPA:A:401,invalid,,,,,CC(C)O,
,,5IGJ,,,,,,,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,GMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,CTY:A:402,valid,Kd,=,0.18,uM,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,
,Family. Representative Entry is ,1QGQ,,,,,,,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,UDP:A:311,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1H7Q,,,,,,,
,,,MG:A:1259,Part of Protein,,,,,[Mg+2],
,,,MG:A:1260,Part of Protein,,,,,[Mg+2],
,,,MN:A:1257,Part of Protein,,,,,[Mn+2],
,,,TYD:A:1258,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,1QGS,,,,,,,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,UDP:A:311,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,1H7L,,,,,,,
,,,MG:A:1257,Part of Protein,,,,,[Mg+2],
,,,MG:A:1259,Part of Protein,,,,,[Mg+2],
,,,TYD:A:1258,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6RHF,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6RHG,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5UIJ,,,,,,,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,TYD:B:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5UIM,,,,,,,
,,,T3Q:A:402,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:A:401,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:B:402,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,K:B:405,Part of Protein,,,,,[K+],
,,,TYD:B:403,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,FON:B:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,5UIK,,,,,,,
,,,FON:A:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,T3F:B:401,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:A:401,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:B:403,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:A:403,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,5UIL,,,,,,,
,,,1YJ:B:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,1YJ:A:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,T3F:A:402,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:B:402,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:B:403,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:A:403,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,5UIN,,,,,,,
,,,FON:A:403,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:403,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,NA:B:401,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,TYD:B:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2E7F,,,,,,,
,,,C2F:A:3000,valid,Kd,=,0.79,uM,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:4000,valid,Kd,=,0.79,uM,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:B:4001,Part of Protein,,,,,[Ca+2],
,,2OGY,,,,,,,
,,,C2F:A:3000,valid,Kd,=,33.2,uM,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,C2F:B:4000,valid,Kd,=,33.2,uM,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,CA:A:3001,Part of Protein,,,,,[Ca+2],
,,,CA:B:4001,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6A9F,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:304,Part of Protein,,,,,[Ca+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,9BF:B:301,valid,,,,,CC(=O)CCc1c[nH]c2c1cccc2,
,,6A99,,,,,,,
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,9UL:C:301,valid,,,,,CN1CCC/C1=C2/C=Nc3c2cccc3,
,,,9UL:B:301,valid,,,,,CN1CCC/C1=C2/C=Nc3c2cccc3,
,,,9UL:B:302,valid,,,,,CN1CCC/C1=C2/C=Nc3c2cccc3,
,,,9UL:A:301,valid,,,,,CN1CCC/C1=C2/C=Nc3c2cccc3,
,,,9UL:A:302,valid,,,,,CN1CCC/C1=C2/C=Nc3c2cccc3,
,,6A98,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,TRS:B:401,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,BOG:A:301,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3HAV,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,SRY:A:403,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,SRY:B:403,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,,SRY:C:403,valid,,,,,[H]/N=C(/N)N[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@]([C@@H](O2)C)(C=O)O)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)N/C(=N[H])/N)O,
,,3HAM,,,,,,,
,,,GOL:A:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:300,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,LLL:A:500,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O,
,,,LLL:B:500,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O,
,Family. Representative Entry is ,4V3C,,,,,,,
,,,C:A:1386,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4V3B,,,,,,,
,,,C:A:1386,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,6UAK,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1ZGA,,,,,,,
,,,HMK:A:365,valid,,,,,c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O,
,,,SAH:A:3994,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1ZG3,,,,,,,
,,,2HI:A:365,valid,,,,,c1cc(ccc1[C@@H]2[C@H](Oc3cc(ccc3C2=O)O)O)O,
,,,SAH:A:3994,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1ZHF,,,,,,,
,,,SAH:A:3994,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1ZGJ,,,,,,,
,,,P1S:A:0,valid,,,,,c1cc2c(cc1CO)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O,
,,,SAH:A:3994,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5FA8,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5FAD,,,,,,,
,,,SAH:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,7BOP,,,,,,,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,NA:D:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:D:404,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,GDP:E:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1CBK,,,,,,,
,,,ROI:A:601,valid,,,,,CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C,
,,,ROI:B:602,valid,,,,,CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4TQ3,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,GPP:D:401,valid,Kd,=,3.2,uM,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:B:401,valid,Kd,=,3.2,uM,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:C:401,valid,Kd,=,3.2,uM,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:A:401,valid,Kd,=,3.2,uM,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,4TQ4,,,,,,,
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,DMA:A:403,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:B:403,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:D:403,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,,DMA:C:403,valid,,,,,CC(=CCO[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,3E81,,,,,,,
,,,EDO:A:167,invalid,,,,,C(CO)O,
,,,EDO:A:168,invalid,,,,,C(CO)O,
,,,EDO:A:169,invalid,,,,,C(CO)O,
,,,EDO:B:168,invalid,,,,,C(CO)O,
,,,EDO:C:167,invalid,,,,,C(CO)O,
,,,EDO:C:168,invalid,,,,,C(CO)O,
,,,MG:A:165,Part of Protein,,,,,[Mg+2],
,,,MG:B:165,Part of Protein,,,,,[Mg+2],
,,,MG:C:165,Part of Protein,,,,,[Mg+2],
,,,MG:D:165,Part of Protein,,,,,[Mg+2],
,,,PEG:A:166,invalid,,,,,C(COCCO)O,
,,,PEG:B:166,invalid,,,,,C(COCCO)O,
,,,PEG:B:167,invalid,,,,,C(COCCO)O,
,,,PEG:C:166,invalid,,,,,C(COCCO)O,
,,,PEG:D:166,invalid,,,,,C(COCCO)O,
,,,PEG:D:167,invalid,,,,,C(COCCO)O,
,,,SLB:A:171,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:171,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:C:171,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:D:170,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,VN4:A:170,invalid,,,,,[O-][V](=O)=O,
,,,VN4:B:170,invalid,,,,,[O-][V](=O)=O,
,,,VN4:C:169,invalid,,,,,[O-][V](=O)=O,
,,,VN4:D:169,invalid,,,,,[O-][V](=O)=O,
,,4HGO,,,,,,,
,,,MG:C:200,Part of Protein,,,,,[Mg+2],
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,,,MG:B:200,Part of Protein,,,,,[Mg+2],
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,KDN:D:203,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,KDN:A:202,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)O)O,
,,,VN4:B:201,invalid,,,,,[O-][V](=O)=O,
,,,VN4:C:201,invalid,,,,,[O-][V](=O)=O,
,,,VN4:A:201,invalid,,,,,[O-][V](=O)=O,
,,,VN4:D:202,invalid,,,,,[O-][V](=O)=O,
,Family. Representative Entry is ,6HWL,,,,,,,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BTB:A:502,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,PO4:B:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:B:501,invalid,,,,,[Cl-],
,,,CL:A:501,invalid,,,,,[Cl-],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GCS:B:506,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,Family. Representative Entry is ,4YEE,,,,,,,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:201,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:H:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:E:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:I:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:S:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:U:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:A:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:W:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:J:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:G:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:T:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:F:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:X:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:Z:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:C:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:V:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:D:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:Y:1,valid,Kd,=,0.32,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,5BSZ,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,THM:A:306,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6BS3,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,Part of Protein,,,,,[Mg+2],
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,invalid,,,,,[Ca+2],
,,,ADP:B:401,valid,Kd,=,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,Kd,=,1.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IMD:B:402,invalid,,,,,c1c[nH+]c[nH]1,
,,6BS4,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AGS:A:401,valid,Kd,=,2.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,6ECT,,,,,,,
,,,SAM:A:1300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MET ALA ASP PHE VAL ALA ASN THR:A:1129,invalid,,,,,,
,,6ECX,,,,,,,
,,,GOL:A:1305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:1301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3N71,,,,,,,
,,,GOL:A:493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:494,invalid,,,,,C(C(CO)O)O,
,,,MES:A:492,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SFG:A:491,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:A:495,Part of Protein,,,,,[Zn+2],
,,,ZN:A:496,Part of Protein,,,,,[Zn+2],
,,,ZN:A:497,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4G10,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,GSH:A:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YAV,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAZ:A:302,valid,,,,,COc1ccc(cc1OC)C(=O)/C=S/C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2GEK,,,,,,,
,,,GDP:A:2567,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1FP1,,,,,,,
,,,HCC:D:2000,valid,,,,,c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,
,,,SAH:D:1699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,1FPQ,,,,,,,
,,,SAM:A:1699,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4HZO,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4HZP,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5GJI,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SER ASP PTR MET ASN MET THR PRO:B:189,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCSC)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)C,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3WYW,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4N8I,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4AZT,,,,,,,
,,,CL:A:1481,invalid,,,,,[Cl-],
,,,CL:A:1482,invalid,,,,,[Cl-],
,,,LY2:A:1483,valid,ic50,=,68,uM,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4,
,,,SAM:A:1472,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1475,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1476,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1477,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1478,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AZS,,,,,,,
,,,AMP:A:1474,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:1487,invalid,,,,,[Cl-],
,,,CL:A:1488,invalid,,,,,[Cl-],
,,,SAM:A:1475,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1476,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1477,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1478,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1479,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1480,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1481,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1483,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1484,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1485,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1486,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6FTF,,,,,,,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,7CI:B:604,valid,Kd,=,57,nM,c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N,
,,,7CI:B:605,valid,Kd,=,57,nM,c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O)C#N,
,Family. Representative Entry is ,3ZJ0,,,,,,,
,,,ACO:A:1205,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:1207,invalid,,,,,[Cl-],
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6G96,,,,,,,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,BCN:B:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3T7S,,,,,,,
,,,SAM:A:300,valid,Ka,=,44500,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:300,valid,Ka,=,44500,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:300,valid,Ka,=,44500,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:300,valid,Ka,=,44500,M^-1,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3T7T,,,,,,,
,,,SAH:A:300,valid,Ka,=,29900,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:300,valid,Ka,=,29900,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:300,valid,Ka,=,29900,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:300,valid,Ka,=,29900,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1FP2,,,,,,,
,,,HMO:A:2000,valid,,,,,COc1ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O,
,,,SAH:A:1699,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6CIG,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,T3A:A:403,invalid,,,,,C(CNC(CO)(CO)CO)CS(=O)(=O)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3P2E,,,,,,,
,,,SAH:A:6732,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:6732,valid,Kd,=,0.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3MTE,,,,,,,
,,,SAM:A:220,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:220,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3PB3,,,,,,,
,,,SAH:A:6732,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:6732,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6BJB,,,,,,,
,,,1VU:B:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:A:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NO3:A:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:402,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:402,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,6S54,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:801,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4LWP,,,,,,,
,,,IOD:B:403,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,IOD:B:401,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:A:403,invalid,,,,,[I-],
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,SAH:A:401,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:407,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3O7B,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2X5D,,,,,,,
,,,PLP:A:1400,Part of Protein,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZJ5,,,,,,,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3NFD,,,,,,,
,,,COA:A:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:154,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6QRL,,,,,,,
,,,C2E:A:401,valid,Kd,=,1.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:401,valid,Kd,=,1.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:404,valid,Kd,=,1.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:403,valid,Kd,=,1.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZJG,,,,,,,
,,,GLY:B:701,valid,,,,,C(C(=O)O)N,
,,,GLY:D:602,valid,,,,,C(C(=O)O)N,
,,,GLY GLY:B:702,valid,,,,,O=C([O-])CNC(=O)CN,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3LST,,,,,,,
,,,EDO:A:347,invalid,,,,,C(CO)O,
,,,EDO:B:347,invalid,,,,,C(CO)O,
,,,SAH:A:346,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:346,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4NEC,,,,,,,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PGE:D:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
,,,NA:A:404,invalid,,,,,[Na+],
,,,NA:C:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,15P:D:403,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:D:402,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI:G:1,valid,,,,,S(C)C1SCC2N(C)C(=O)C(C)NC(=O)C(NC(=O)C=3Nc4c(NC=3)cccc4)COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(NC(=O)C=1Nc3c(NC=1)cccc3)COC(=O)C(C(C)C)N(C)C2=O,
,,,DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI:H:1,valid,,,,,S(C)C1SCC2N(C)C(=O)C(C)NC(=O)C(NC(=O)C=3Nc4c(NC=3)cccc4)COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(NC(=O)C=1Nc3c(NC=1)cccc3)COC(=O)C(C(C)C)N(C)C2=O,
,,,DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI:F:1,valid,,,,,S(C)C1SCC2N(C)C(=O)C(C)NC(=O)C(NC(=O)C=3Nc4c(NC=3)cccc4)COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(NC(=O)C=1Nc3c(NC=1)cccc3)COC(=O)C(C(C)C)N(C)C2=O,
,,,DSN ALA N2C MVA DSN ALA NCY MVA QUI QUI:E:1,valid,,,,,S(C)C1SCC2N(C)C(=O)C(C)NC(=O)C(NC(=O)C=3Nc4c(NC=3)cccc4)COC(=O)C(C(C)C)N(C)C(=O)C1N(C)C(=O)C(C)NC(=O)C(NC(=O)C=1Nc3c(NC=1)cccc3)COC(=O)C(C(C)C)N(C)C2=O,
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4E70,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,N7I:B:1402,valid,Kd,=,2.94,uM,COc1cc(ccc1O)/C=C/CO,
,,,N7I:A:403,valid,Kd,=,2.94,uM,COc1cc(ccc1O)/C=C/CO,
,,4EVI,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,C9M:A:402,valid,,,,,COC/C=C/c1ccc(c(c1)OC)O,
,,,N7I:B:401,valid,,,,,COc1cc(ccc1O)/C=C/CO,
,Family. Representative Entry is ,3GNI,,,,,,,
,,,ATP:B:1,valid,Kd,=,0.02,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:A:342,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLU VAL ASP ASP TRP GLU PHE:B:425,invalid,,,,,,
,,,LEU ASN HIS SER PHE PHE LYS GLN ILE:B:374,invalid,,,,,,
,Family. Representative Entry is ,3LL5,,,,,,,
,,,ADP:A:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IP8:C:247,valid,,,,,CC(=C)CCOP(=O)(O)O,
,,,IP8:D:247,valid,,,,,CC(=C)CCOP(=O)(O)O,
,,,IPE:A:247,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:247,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,3LKK,,,,,,,
,,,ATP:A:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:246,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,IP8:A:247,valid,,,,,CC(=C)CCOP(=O)(O)O,
,,,IP8:B:247,valid,,,,,CC(=C)CCOP(=O)(O)O,
,Family. Representative Entry is ,1C7O,,,,,,,
,,,PPG:A:1500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:B:2500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:C:3500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:D:4500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:E:5500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:F:6500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:G:7500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,,PPG:H:8500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,Family. Representative Entry is ,5AZA,,,,,,,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4HI0,,,,,,,
,,,GDP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4PHR,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,MN:A:302,invalid,,,,,[Mn+2],
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4PHS,,,,,,,
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4PFX,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,UDP:A:301,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5JE0,,,,,,,
,,,AZ8:B:302,valid,,,,,c1nc2c(nn1)NC(=O)NC2=O,
,,,AZ8:A:302,valid,,,,,c1nc2c(nn1)NC(=O)NC2=O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JE2,,,,,,,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,TRS:B:303,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,5JDZ,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JDY,,,,,,,
,,,TOF:B:303,valid,,,,,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,
,,,TOF:A:302,valid,,,,,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,
,,,TRS:B:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JE5,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,AZ9:A:302,valid,,,,,CN1C(=O)c2c(nncn2)NC1=O,
,,5JE1,,,,,,,
,,,TOF:B:302,valid,,,,,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,
,,,TOF:A:302,valid,,,,,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JE3,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5JE4,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5F05,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,12P:B:301,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:D:301,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,PGE:D:303,invalid,,,,,C(COCCOCCO)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,,,PG4:B:303,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1RRV,,,,,,,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,K:A:417,Part of Protein,,,,,[K+],
,,,K:B:417,Part of Protein,,,,,[K+],
,,,MLU OMZ ASN GHP GHP OMY 3FG BGC:C:1,valid,,,,,Clc1c2Oc3c(OC4C(O)C(O)C(O)C(CO)O4)c4Oc5c(Cl)cc(C(O)C6C(=O)NC(C(=O)[O-])c7c(c(O)cc(O)c7)-c7c(O)ccc(c7)C(C(=O)N6)NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C([NH2+]C)CC(C)C)C(O)c(c1)cc2)c(c3)c4)cc5,
,,,MLU OMZ ASN GHP GHP OMY 3FG BGC:D:1,valid,,,,,Clc1c2Oc3c(OC4C(O)C(O)C(O)C(CO)O4)c4Oc5c(Cl)cc(C(O)C6C(=O)NC(C(=O)[O-])c7c(c(O)cc(O)c7)-c7c(O)ccc(c7)C(C(=O)N6)NC(=O)C(NC(=O)C(CC(=O)N)NC(=O)C(NC(=O)C([NH2+]C)CC(C)C)C(O)c(c1)cc2)c(c3)c4)cc5,
,,,TYD:A:1003,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:1004,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,2FT0,,,,,,,
,,,ACO:A:600,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3KV4,,,,,,,
,,,EDO:A:452,invalid,,,,,C(CO)O,
,,,EDO:A:453,invalid,,,,,C(CO)O,
,,,EDO:A:454,invalid,,,,,C(CO)O,
,,,EDO:A:455,invalid,,,,,C(CO)O,
,,,EDO:A:456,invalid,,,,,C(CO)O,
,,,EDO:A:457,invalid,,,,,C(CO)O,
,,,EDO:A:458,invalid,,,,,C(CO)O,
,,,EDO:A:459,invalid,,,,,C(CO)O,
,,,EDO:A:460,invalid,,,,,C(CO)O,
,,,EDO:A:461,invalid,,,,,C(CO)O,
,,,EDO:A:462,invalid,,,,,C(CO)O,
,,,EDO:A:463,invalid,,,,,C(CO)O,
,,,EDO:A:464,invalid,,,,,C(CO)O,
,,,FE2:A:450,Part of Protein,,,,,[Fe+2],
,,,NI:A:451,invalid,,,,,[Ni+2],
,,,OGA:A:5798,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,ZN:A:448,Part of Protein,,,,,[Zn+2],
,,,ZN:A:449,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1QR0,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6GCB,,,,,,,
,,,GSH:B:401,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:401,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,6GCC,,,,,,,
,,,TUJ TUG 5LT:C:1,valid,,,,,S(=O)(=O)(OC1C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])OC(COC2C(O)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COC3C(O)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(CO)O3)O2)C1OS(=O)(=O)[O-])[O-],
,,,TUJ TUG 5LT:D:1,valid,,,,,S(=O)(=O)(OC1C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])OC(COC2C(O)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COC3C(O)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(CO)O3)O2)C1OS(=O)(=O)[O-])[O-],
,Family. Representative Entry is ,1XI9,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,6TEQ,,,,,,,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:707,invalid,,,,,C(C(CO)O)O,
,,,PEG:C:617,invalid,,,,,C(COCCO)O,
,,,PEG:D:701,invalid,,,,,C(COCCO)O,
,,,PEG:C:601,invalid,,,,,C(COCCO)O,
,,,PEG:B:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:C:606,invalid,,,,,C(COCCO)O,
,,,PEG:B:608,invalid,,,,,C(COCCO)O,
,,,PEG:C:602,invalid,,,,,C(COCCO)O,
,,,PEG:C:618,invalid,,,,,C(COCCO)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:B:606,invalid,,,,,C(COCCO)O,
,,,PEG:C:603,invalid,,,,,C(COCCO)O,
,,,PEG:C:605,invalid,,,,,C(COCCO)O,
,,,PEG:C:613,invalid,,,,,C(COCCO)O,
,,,PEG:C:614,invalid,,,,,C(COCCO)O,
,,,PEG:B:601,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,GAF:D:706,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,GAF:C:615,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,GAF:A:609,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,GAF:B:610,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,CL:C:619,invalid,,,,,[Cl-],
,,,CL:B:612,invalid,,,,,[Cl-],
,,,CL:C:620,invalid,,,,,[Cl-],
,,,CL:D:708,invalid,,,,,[Cl-],
,,,CL:A:611,invalid,,,,,[Cl-],
,,,CL:D:709,invalid,,,,,[Cl-],
,,,CL:B:611,invalid,,,,,[Cl-],
,,,2FG:B:609,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:C:616,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:D:705,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:A:610,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,PGE:C:609,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:611,invalid,,,,,C(COCCOCCO)O,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:606,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,6TEP,,,,,,,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,PEG:B:505,invalid,,,,,C(COCCO)O,
,,,PEG:C:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,,PEG:D:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,PEG:C:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,PEG:D:501,invalid,,,,,C(COCCO)O,
,,,PEG:D:502,invalid,,,,,C(COCCO)O,
,,,PEG:A:501,invalid,,,,,C(COCCO)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,MG:D:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:B:511,Part of Protein,,,,,[Mg+2],
,,,MG:C:509,Part of Protein,,,,,[Mg+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:D:506,invalid,,,,,[Cl-],
,,,CL:C:508,invalid,,,,,[Cl-],
,,,ADP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:505,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PG4:C:501,invalid,,,,,C(COCCOCCOCCO)O,
,,6TER,,,,,,,
,,,GOL:A:923,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:925,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:717,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,PEG:D:605,invalid,,,,,C(COCCO)O,
,,,PEG:A:926,invalid,,,,,C(COCCO)O,
,,,PEG:A:914,invalid,,,,,C(COCCO)O,
,,,PEG:B:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:903,invalid,,,,,C(COCCO)O,
,,,PEG:B:716,invalid,,,,,C(COCCO)O,
,,,PEG:A:910,invalid,,,,,C(COCCO)O,
,,,PEG:A:906,invalid,,,,,C(COCCO)O,
,,,PEG:C:607,invalid,,,,,C(COCCO)O,
,,,PEG:B:705,invalid,,,,,C(COCCO)O,
,,,PEG:B:713,invalid,,,,,C(COCCO)O,
,,,PEG:B:711,invalid,,,,,C(COCCO)O,
,,,PEG:A:908,invalid,,,,,C(COCCO)O,
,,,PEG:C:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:907,invalid,,,,,C(COCCO)O,
,,,PEG:B:702,invalid,,,,,C(COCCO)O,
,,,PEG:A:904,invalid,,,,,C(COCCO)O,
,,,PEG:B:704,invalid,,,,,C(COCCO)O,
,,,PEG:C:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:918,invalid,,,,,C(COCCO)O,
,,,PEG:D:602,invalid,,,,,C(COCCO)O,
,,,PEG:B:708,invalid,,,,,C(COCCO)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,PEG:A:912,invalid,,,,,C(COCCO)O,
,,,PEG:A:915,invalid,,,,,C(COCCO)O,
,,,PEG:A:917,invalid,,,,,C(COCCO)O,
,,,GLA:D:608,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:927,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:718,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:611,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:D:609,Part of Protein,,,,,[Na+],
,,,NA:B:722,Part of Protein,,,,,[Na+],
,,,NA:C:612,Part of Protein,,,,,[Na+],
,,,NA:B:721,Part of Protein,,,,,[Na+],
,,,NA:D:610,Part of Protein,,,,,[Na+],
,,,NA:B:720,Part of Protein,,,,,[Na+],
,,,CL:C:614,invalid,,,,,[Cl-],
,,,CL:C:613,invalid,,,,,[Cl-],
,,,CL:A:929,invalid,,,,,[Cl-],
,,,GAL:B:719,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:928,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PG4:A:922,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:924,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:B:714,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:921,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:919,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:920,invalid,,,,,C(COCCOCCO)O,
,,,TRS:D:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3JZ0,,,,,,,
,,,APC:A:738,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:738,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CLY:A:900,valid,,,,,CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,
,,,CLY:B:900,valid,,,,,CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5CFT,,,,,,,
,,,APC:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,51G:A:204,valid,,,,,C[C@H]([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)NC,
,,,P6G:A:205,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,5CFS,,,,,,,
,,,TOY:A:203,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,PG0:A:205,invalid,,,,,COCCOCCO,
,,,P6G:A:206,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,APC:A:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3ISO,,,,,,,
,,,GSH:A:219,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:219,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:223,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:224,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:221,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:223,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:220,Part of Protein,,,,,[Zn+2],
,,,ZN:B:220,Part of Protein,,,,,[Zn+2],
,,4L5O,,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,4L5L,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6JKM,,,,,,,
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:A:1503,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5HV7,,,,,,,
,,,RBL:A:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)O,
,,,RBL:A:502,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)O,
,,5HTP,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5HUX,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2H1H,,,,,,,
,,,AFH:A:400,valid,ic50,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N,
,,,AFH:B:400,valid,ic50,=,30,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)F)O)O)N,
,,2H1F,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6DFE,,,,,,,
,,,GA7:A:405,valid,,,,,C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GA7:B:405,valid,,,,,C[C@H](C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,GN1 GN4 KDO KDO:C:1,valid,,,,,P(=O)(OC1C(O)C(NC(=O)C)C2[O+](CC3C(O)C(O)C(NC(=O)C)C(OP(=O)([O-])[O-])O3)[O+]2C1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C1)([O-])[O-],
,,,GN1 GN4 KDO KDO:D:1,valid,,,,,P(=O)(OC1C(O)C(NC(=O)C)C2[O+](CC3C(O)C(O)C(NC(=O)C)C(OP(=O)([O-])[O-])O3)[O+]2C1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)CO)C(O)C(O)C2)C1)([O-])[O-],
,Family. Representative Entry is ,2E1T,,,,,,,
,,,MLC:A:1001,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,,,MLC:B:1002,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O,
,Family. Representative Entry is ,5MZY,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,8EZ:B:301,valid,,,,,C[C@H]1CCCC[C@H]1C(=O)O,
,,,8EZ:D:301,valid,,,,,C[C@H]1CCCC[C@H]1C(=O)O,
,,5MZZ,,,,,,,
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,8EW:B:301,valid,,,,,CC(=CC(=O)O)CC(=O)O,
,,,8EW:D:301,valid,,,,,CC(=CC(=O)O)CC(=O)O,
,,5MZX,,,,,,,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:304,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:303,invalid,,,,,CC(=O)[O-],
,,,4PS:D:301,valid,,,,,CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,4PS:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3KMW,,,,,,,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3LL9,,,,,,,
,,,ADP:A:267,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:268,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:267,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6OJX,,,,,,,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,ATP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:406,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1BO4,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SPD:A:200,valid,,,,,C(CCNCCCN)CN,
,Family. Representative Entry is ,1TQP,,,,,,,
,,,ATP:A:283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1ZAR,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,1ZAO,,,,,,,
,,,ATP:A:286,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:287,invalid,,,,,C(CO)O,
,,,MN:A:283,Part of Protein,,,,,[Mn+2],
,,,MN:A:284,Part of Protein,,,,,[Mn+2],
,,,PO4:A:285,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1TQM,,,,,,,
,,,ANP:A:283,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4E3Q,,,,,,,
,,,BEN:A:503,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:504,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:501,Part of Protein,,,,,[Na+],
,,,NA:C:501,Part of Protein,,,,,[Na+],
,,,NA:D:501,Part of Protein,,,,,[Na+],
,,,PMP:A:505,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:503,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WLG,,,,,,,
,,,ACT:B:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1217,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1218,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1219,invalid,,,,,C(CO)O,
,,,EDO:A:1220,invalid,,,,,C(CO)O,
,,,EDO:A:1221,invalid,,,,,C(CO)O,
,,,EDO:A:1222,invalid,,,,,C(CO)O,
,,,EDO:A:1223,invalid,,,,,C(CO)O,
,,,EDO:A:1224,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,EDO:C:1219,invalid,,,,,C(CO)O,
,,,EDO:C:1220,invalid,,,,,C(CO)O,
,,,EDO:C:1221,invalid,,,,,C(CO)O,
,,,SOP:A:1216,valid,,,,,CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SOP:C:1216,valid,,,,,CC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,2WLE,,,,,,,
,,,ACT:C:1217,invalid,,,,,CC(=O)[O-],
,,,COA:A:1215,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1216,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:1216,invalid,,,,,C(CO)O,
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,2WLF,,,,,,,
,,,ACO:A:1221,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1218,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1218,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1216,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1216,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1217,invalid,,,,,C(CO)O,
,,,EDO:A:1218,invalid,,,,,C(CO)O,
,,,EDO:A:1219,invalid,,,,,C(CO)O,
,,,EDO:A:1220,invalid,,,,,C(CO)O,
,,,EDO:B:1216,invalid,,,,,C(CO)O,
,,,EDO:B:1217,invalid,,,,,C(CO)O,
,,,EDO:C:1217,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3LEV,,,,,,,
,,,1PE:L:215,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ATP:H:219,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:H:220,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,1X8J,,,,,,,
,,,A3P:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,,,AOI:A:400,valid,Ki,=,0.11,uM,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,,AOI:B:500,valid,Ki,=,0.11,uM,C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O,
,,1X8L,,,,,,,
,,,A3P:B:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:2201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CA:A:1104,Part of Protein,,,,,[Ca+2],
,,,CA:B:2204,Part of Protein,,,,,[Ca+2],
,,,OXR:A:1102,valid,,,,,CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCO)C)C,
,,,OXR:B:2202,valid,,,,,CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCO)C)C,
,,1FMJ,,,,,,,
,,,A3P:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,A3P:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,RTL:A:401,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,,,RTL:B:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,Family. Representative Entry is ,2X5F,,,,,,,
,,,EPE:A:1430,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1428,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:B:1429,Part of Protein,,,,,[Mg+2],
,,,PLP:A:1429,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1430,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PO4:A:1431,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1431,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5LOG,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,LDP:A:1004,valid,,,,,c1cc(c(cc1CCN)O)O,
,,,SAH:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4GOX,,,,,,,
,,,A3P:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,6QW5,,,,,,,
,,,XI7:B:303,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,XI7:A:303,valid,,,,,c1ccc(cc1)C(=O)CC(=O)C(=O)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SQF,,,,,,,
,,,SAM:A:430,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4RIF,,,,,,,
,,,3R2:B:401,valid,,,,,C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O,
,,,3R2:A:401,valid,,,,,C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O,
,,4RIH,,,,,,,
,,,3R2:B:401,valid,,,,,C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O,
,,,3R2:A:401,valid,,,,,C[C@H]1C[C@@H](C[C@H]([C@@H]1O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,4RII,,,,,,,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4EBZ,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN BMA:E:1,invalid,,,,,,
,,,NAG NAG NAG NAG:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,5YMR,,,,,,,
,,,8X3:A:901,valid,,,,,C(CS(=O)(=O)O)O,
,,,8X3:B:901,valid,,,,,C(CS(=O)(=O)O)O,
,,,8X3:D:901,valid,,,,,C(CS(=O)(=O)O)O,
,,,8X3:C:901,valid,,,,,C(CS(=O)(=O)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:902,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2WZF,,,,,,,
,,,BGC:A:1526,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MN:A:1524,Part of Protein,,,,,[Mn+2],
,,,UDP:A:1525,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6GTP,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,ACO:A:201,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6C8R,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EQV:B:402,valid,,,,,C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,6C8S,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3OU2,,,,,,,
,,,SAH:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,3OU7,,,,,,,
,,,2HE:D:301,valid,,,,,C(CP(=O)(O)O)O,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3OU6,,,,,,,
,,,SAM:A:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4LXQ,,,,,,,
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,CL:B:311,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,MPO:A:306,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:304,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,EDO EDO:B:314,invalid,,,,,,
,,,TYD:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4LXY,,,,,,,
,,,1YA:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,1YA:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,MPO:B:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,TYD:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,4LY3,,,,,,,
,,,1YF:B:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O,
,,,1YJ:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,1YJ:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,T3Q:A:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,MPO:B:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,4LXX,,,,,,,
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,FNF:B:304,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O,
,,,FNF:A:304,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC=O)O,
,,4LXU,,,,,,,
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,T3F:B:303,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:A:303,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LY0,,,,,,,
,,,DAU:A:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,DAU:B:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,MPO:B:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,1YA:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,1YA:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,4LXT,,,,,,,
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:303,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:304,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,T3Q:A:305,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:B:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,Family. Representative Entry is ,1O6U,,,,,,,
,,,PLM:A:1398,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:1396,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:1397,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4PNE,,,,,,,
,,,MLI:A:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:302,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1CM8,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:1401,Part of Protein,,,,,[Mg+2],
,,,MG:B:1402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2X7I,,,,,,,
,,,CIT:A:1307,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:1308,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5KJZ,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,PCG:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,5KJY,,,,,,,
,,,CMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,5KJX,,,,,,,
,,,CMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,4X8N,,,,,,,
,,,GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP:B:347,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCCNC(=[NH2+])N)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CCC(=O)[O-])C(CC)C)CC(=O)[O-])Cc1ccccc1)CCC(=O)[O-])([O-])[O-],
,Family. Representative Entry is ,5KVA,,,,,,,
,,,SAM:A:301,valid,Kd,=,7.32,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,Kd,=,7.32,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5NV8,,,,,,,
,,,TRH:A:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,Family. Representative Entry is ,5FAL,,,,,,,
,,,SKT:A:502,valid,,,,,c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5FAN,,,,,,,
,,,WCA:A:501,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O,
,,,DHB:A:502,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,4KEC,,,,,,,
,,,4KE:A:502,valid,,,,,c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@@H]2O)O)C(=O)O)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5JJ2,,,,,,,
,,,MLI:A:303,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:304,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:302,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:301,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:306,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:305,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,6PD2,,,,,,,
,,,0RC:A:705,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O,
,,,0RC:C:2205,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O,
,,,0RC:D:705,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O,
,,,0RC:B:705,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(CCN)O)O)O,
,,,EDO:D:706,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:D:710,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:C:2208,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:C:2213,invalid,,,,,C(CO)O,
,,,EDO:C:2210,invalid,,,,,C(CO)O,
,,,EDO:D:713,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:C:2206,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:D:707,invalid,,,,,C(CO)O,
,,,EDO:D:711,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:D:708,invalid,,,,,C(CO)O,
,,,EDO:B:706,invalid,,,,,C(CO)O,
,,,EDO:C:2214,invalid,,,,,C(CO)O,
,,,EDO:C:2209,invalid,,,,,C(CO)O,
,,,EDO:B:707,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:D:712,invalid,,,,,C(CO)O,
,,,EDO:C:2212,invalid,,,,,C(CO)O,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:2211,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:C:2203,Part of Protein,,,,,[Mg+2],
,,,PO4:C:2207,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:2204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:709,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:712,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:718,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:714,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:708,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:2215,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:A:715,invalid,,,,,CC(=O)[O-],
,,,ACT:C:2201,invalid,,,,,CC(=O)[O-],
,,,PLP:B:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:702,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:2202,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:701,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4AOA,,,,,,,
,,,GOL:A:1436,invalid,,,,,C(C(CO)O)O,
,,,IK2:A:1435,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,,,IK2:B:1435,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNOCC(=O)O)O,
,Family. Representative Entry is ,5N0O,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,HSE:A:504,valid,,,,,C(CO)[C@@H](C(=O)O)N,
,,6R00,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6TSC,,,,,,,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6QZZ,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6QZY,,,,,,,
,,,SCN:A:502,invalid,,,,,C(#N)[S-],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3K56,,,,,,,
,,,IS3:A:300,valid,,,,,CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S,
,,,IS3:B:300,valid,,,,,CC(C)CCO[P@@](=O)(O)O[P@](=O)(O)S,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5I49,,,,,,,
,,,2KH:A:702,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,5IDO,,,,,,,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,UTP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3F8K,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1C3X,,,,,,,
,,,8IG:A:306,valid,,,,,c12c([nH]c(n1)I)N=C(NC2=O)N,
,,,8IG:B:305,valid,,,,,c12c([nH]c(n1)I)N=C(NC2=O)N,
,,,8IG:C:304,valid,,,,,c12c([nH]c(n1)I)N=C(NC2=O)N,
,,,CA:B:300,Part of Protein,,,,,[Ca+2],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2YKX,,,,,,,
,,,AKG:A:1445,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:1445,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:1446,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,EDO:A:1447,invalid,,,,,C(CO)O,
,,,EDO:C:1445,invalid,,,,,C(CO)O,
,,,EDO:C:1447,invalid,,,,,C(CO)O,
,,,EDO:C:1448,invalid,,,,,C(CO)O,
,,,GOL:A:1446,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1448,invalid,,,,,C(C(CO)O)O,
,,,PLP:A:1280,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1280,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1280,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,6HNU,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PLP PHE:B:502,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])Cc2ccccc2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PHE:A:502,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])Cc2ccccc2)c(O)c(C)nc1)([O-])[O-],
,,,BTB:B:501,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:501,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,Family. Representative Entry is ,6JTD,,,,,,,
,,,EDO:B:528,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:526,invalid,,,,,C(CO)O,
,,,EDO:B:524,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:523,invalid,,,,,C(CO)O,
,,,EDO:B:536,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:535,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:B:520,invalid,,,,,C(CO)O,
,,,EDO:B:527,invalid,,,,,C(CO)O,
,,,EDO:B:534,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:522,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:B:533,invalid,,,,,C(CO)O,
,,,EDO:B:525,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:529,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:B:537,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:530,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:531,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:521,invalid,,,,,C(CO)O,
,,,EDO:B:532,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5UUO,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:314,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5UUN,,,,,,,
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:310,invalid,,,,,CC(=O)[O-],
,,,ACT:A:314,invalid,,,,,CC(=O)[O-],
,,,ACT:B:310,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:B:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,ACT:A:308,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:309,invalid,,,,,CC(=O)[O-],
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5BW4,,,,,,,
,,,SAM:A:301,valid,Kd,=,68,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,Kd,=,68,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,2UV4,,,,,,,
,,,AMP:A:1324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2UV6,,,,,,,
,,,AMP:A:1324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2UV5,,,,,,,
,,,AMZ:A:1324,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,2UV7,,,,,,,
,,,AMP:A:1324,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4YEF,,,,,,,
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC GLC GLC GLC GLC GLC:K:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:N:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:L:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:J:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:I:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:M:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:H:1,valid,Kd,=,4.44,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,3WD6,,,,,,,
,,,K:A:301,invalid,,,,,[K+],
,,,K:A:303,invalid,,,,,[K+],
,,,K:B:302,invalid,,,,,[K+],
,,,K:A:302,invalid,,,,,[K+],
,,,K:D:302,invalid,,,,,[K+],
,,,K:C:303,invalid,,,,,[K+],
,,,K:B:301,invalid,,,,,[K+],
,,,K:C:302,invalid,,,,,[K+],
,,,IOD:D:301,invalid,,,,,[I-],
,,,IOD:C:301,invalid,,,,,[I-],
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,GSH:D:304,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:306,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:306,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:304,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1QB7,,,,,,,
,,,ADE:A:300,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,CIT:A:325,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MG:A:335,Part of Protein,,,,,[Mg+2],
,,1QB8,,,,,,,
,,,AMP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CIT:A:325,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MG:A:335,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1V1A,,,,,,,
,,,ADP:A:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,KDG:A:1302,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,,,KDG:B:1302,valid,,,,,C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,6JCL,,,,,,,
,,,SAH:C:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:E:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:G:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:H:301,valid,Kd,=,12.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SR:A:302,invalid,,,,,[Sr+2],
,,,SR:B:306,invalid,,,,,[Sr+2],
,,,SR:G:304,invalid,,,,,[Sr+2],
,,,SR:A:304,invalid,,,,,[Sr+2],
,,,SR:D:302,invalid,,,,,[Sr+2],
,,,SR:A:305,invalid,,,,,[Sr+2],
,,,SR:G:302,invalid,,,,,[Sr+2],
,,,SR:D:304,invalid,,,,,[Sr+2],
,,,SR:B:302,invalid,,,,,[Sr+2],
,,,SR:G:305,invalid,,,,,[Sr+2],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,MPD:C:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,5GVL,,,,,,,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,GI8:B:502,valid,ic50,=,42,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N,
,,,GI8:A:502,valid,ic50,=,42,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N,
,,,GI8:C:502,valid,ic50,=,42,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C)C)C#N)N,
,,5GVN,,,,,,,
,,,G6F:A:502,valid,ic50,=,90,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,G6F:C:502,valid,ic50,=,90,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,G6F:B:502,valid,ic50,=,90,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,5XMV,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8AU:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N,
,,,8AU:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N,
,,,8AU:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4Cl)C(C)C)C#N)N,
,,5YFZ,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8UO:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N,
,,,8UO:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N,
,,,8UO:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CC(=O)O)C(C)C)C#N)N,
,,5XMQ,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8A6:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N,
,,,8A6:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N,
,,,8A6:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)Cc5ccccc5)C(C)C)C#N)N,
,,4TN4,,,,,,,
,,,BME:C:502,invalid,,,,,C(CS)O,
,,,BME:B:502,invalid,,,,,C(CS)O,
,,,BME:A:502,invalid,,,,,C(CS)O,
,,,33G:C:503,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N,
,,,33G:A:503,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N,
,,,33G:B:503,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cccc(c4)F)C#N)C5CCC5)C#N)N,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,5XMP,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,8A3:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N,
,,,8A3:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N,
,,,8A3:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccc(cc4)S(=O)(=O)N(C)CC(F)(F)F)C(C)C)C#N)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,5GVM,,,,,,,
,,,G57:A:502,valid,ic50,=,186,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N,
,,,G57:B:502,valid,ic50,=,186,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N,
,,,G57:C:502,valid,ic50,=,186,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CC(=O)O)C(C)C)C#N)N,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,5XMS,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8B3:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N,
,,,8B3:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N,
,,,8B3:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4ccccc4F)C(C)C)C#N)N,
,,5YG4,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,8UF:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N,
,,,8UF:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N,
,,,8UF:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)N5CCC(CC5)CC(=O)O)C#N)N,
,,5XMU,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8A0:C:502,valid,,,,,Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C,
,,,8A0:A:502,valid,,,,,Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C,
,,,8A0:B:502,valid,,,,,Cc1ccccc1c2cc(cc(c2)C(F)(F)F)[C@@]3(c4c([nH]nc4OC(=C3C#N)N)C)C(C)C,
,,5YG3,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,8UC:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N,
,,,8UC:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N,
,,,8UC:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@]23c4cc(cc(c4CC3(C)C)F)c5ccncc5)C#N)N,
,,5GVK,,,,,,,
,,,G45:A:502,valid,ic50,=,99,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N,
,,,G45:B:502,valid,ic50,=,99,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N,
,,,G45:C:502,valid,ic50,=,99,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4ccc(s4)S(=O)(=O)N(C)C)C#N)C(C)C)C#N)N,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,5YG2,,,,,,,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,N05:B:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N,
,,,N05:C:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N,
,,,N05:A:502,valid,,,,,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)F)N4CCC(CC4)CCC(=O)O)C(C)C)C#N)N,
,,5GVP,,,,,,,
,,,GCF:A:503,valid,ic50,=,165,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,GCF:C:502,valid,ic50,=,165,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,GCF:A:502,valid,ic50,=,165,nM,Cc1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N,
,,,PLG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6J3F,,,,,,,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5UIV,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TMP:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,6QHG,,,,,,,
,,,PO4:B:2003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,MGT:A:2001,valid,Kd,=,737,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MGT:B:2001,valid,Kd,=,737,uM,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1ZTH,,,,,,,
,,,ADP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:905,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:907,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:904,Part of Protein,,,,,[Mn+2],
,,,MN:C:906,Part of Protein,,,,,[Mn+2],
,,,MN:D:908,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4G19,,,,,,,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:305,invalid,,,,,CC(=O)[O-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:302,valid,ic50,=,261.5,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:302,valid,ic50,=,261.5,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:302,valid,ic50,=,261.5,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:303,valid,ic50,=,261.5,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3C8E,,,,,,,
,,,GSH:A:289,valid,Kd,=,0.07,mM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:290,valid,Kd,=,0.07,mM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:289,valid,Kd,=,0.07,mM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:290,valid,Kd,=,0.07,mM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4KOT,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CE3:A:205,valid,Kd,=,3.5,uM,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)O,
,,4KOX,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CLS:A:205,valid,Kd,=,16.9,uM,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O,
,,4KLW,,,,,,,
,,,KLW:A:201,valid,,,,,c1ccc(c(c1)C(=O)N)C(=O)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KOV,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KOV:A:204,valid,Kd,=,176.7,uM,CO/N=C(/c1ccco1)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O,
,,4L8A,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1VP:A:210,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc1ccccc1,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,COA:A:204,valid,Kd,=,3.9,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,4KLV,,,,,,,
,,,EDO:A:219,invalid,,,,,C(CO)O,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:215,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:217,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:218,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,SO4:A:211,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:212,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KLV:A:216,valid,Kd,=,165.3,uM,CC1=CC(=O)Oc2c1ccc(c2)OP(=O)(O)O,
,,4KOY,,,,,,,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:216,Part of Protein,,,,,[Zn+2],
,,,ZN:A:217,Part of Protein,,,,,[Zn+2],
,,,ZN:A:215,Part of Protein,,,,,[Zn+2],
,,,CSC:A:214,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)O)[NH3+])SC1)C(=O)O,
,,5VD6,,,,,,,
,,,93P:A:207,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KOW,,,,,,,
,,,EDO:A:219,invalid,,,,,C(CO)O,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:215,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:217,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:216,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:218,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CFX:A:204,valid,Kd,=,49.3,uM,CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)Cc3cccs3,
,,4KOR,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4KR:A:201,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O,
,,4KOU,,,,,,,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,C04:A:206,valid,,,,,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOCC(=O)O)/c3csc(n3)N)SC1)C(=O)O,
,,,C04:A:207,valid,,,,,C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOCC(=O)O)/c3csc(n3)N)SC1)C(=O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4KOS,,,,,,,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:215,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:217,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4KO:A:201,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSCC#N)OC)SC2)C(=O)O,
,,4KUB,,,,,,,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:201,valid,Kd,=,3.9,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5VDB,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,93M:A:207,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CNC(=O)Cc4ccccc4)O,
,Family. Representative Entry is ,6PGN,,,,,,,
,,,GPP:A:402,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3LIH,,,,,,,
,,,FRU GLC GLA:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6U7A,,,,,,,
,,,KYA:B:501,valid,,,,,c1ccc2c(c1)c(cc(n2)C(=O)O)O,
,,,KYA:C:501,valid,,,,,c1ccc2c(c1)c(cc(n2)C(=O)O)O,
,,,KYA:D:501,valid,,,,,c1ccc2c(c1)c(cc(n2)C(=O)O)O,
,,,KYA:G:501,valid,,,,,c1ccc2c(c1)c(cc(n2)C(=O)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,PO4:G:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1PE:H:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PLP:H:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PMP:G:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,Q0P:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CC(=O)c2ccccc2N)C(=O)O)O,
,Family. Representative Entry is ,4HZD,,,,,,,
,,,15P:B:301,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5IDM,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,C2E:A:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5X3D,,,,,,,
,,,7XL:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(CCO)O)O)O,
,Family. Representative Entry is ,1I9G,,,,,,,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1TIQ,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:303,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DTT:A:1201,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:A:1202,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4O6M,,,,,,,
,,,SO4:B:420,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:421,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:419,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MPG:B:414,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:402,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:408,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:406,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:403,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:403,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:413,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:415,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:416,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:409,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:408,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:406,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:410,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:412,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:411,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:405,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:404,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:409,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:404,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:407,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:417,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:402,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:405,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:407,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,C5P:B:422,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,4O6N,,,,,,,
,,,MPG:A:408,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:406,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:405,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:404,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:404,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:B:407,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:405,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:407,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,MPG:A:406,invalid,,,,,CCCCCCCC/C=CCCCCCCCCOC(=O)[C@@H](CO)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CDP:B:403,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:A:403,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TLA:A:409,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:408,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6AR9,,,,,,,
,,,3L4:C:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:D:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:B:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:E:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:F:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,3L4:A:301,valid,Ki,=,6.54,uM,c1nc2c(n1CCN(CCOCP(=O)(O)O)/C=C/P(=O)(O)O)N=C(NC2=O)N,
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:303,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2JDC,,,,,,,
,,,CAO:A:1147,valid,Ki,=,9,uM,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JDD,,,,,,,
,,,3PG:A:1148,valid,Ki,=,0.99,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,ACO:A:1147,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:A:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BSW,,,,,,,
,,,CAO:A:1147,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSO)O,
,,,GOL:A:1149,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1150,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1148,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5UFN,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,EPE:A:305,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:308,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5UFM,,,,,,,
,,,SAH:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:A:309,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:308,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,AZ8:A:302,valid,,,,,c1nc2c(nn1)NC(=O)NC2=O,
,,,AZ8:B:303,valid,,,,,c1nc2c(nn1)NC(=O)NC2=O,
,Family. Representative Entry is ,6CUR,,,,,,,
,,,FMT:B:2004,invalid,,,,,C(=O)O,
,,,FMT:B:2006,invalid,,,,,C(=O)O,
,,,FMT:B:2005,invalid,,,,,C(=O)O,
,,,FMT:B:2003,invalid,,,,,C(=O)O,
,,,FMT:B:2002,invalid,,,,,C(=O)O,
,,,FMT:C:201,invalid,,,,,C(=O)O,
,,,FFY:B:2001,valid,,,,,C[C@H](C1CC1)Nc2c3cccc(c3nc(n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:2008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2007,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4Y7U,,,,,,,
,,,2KH:A:306,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,491:A:307,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C,
,,4Y7V,,,,,,,
,,,2PN:A:304,valid,,,,,N(P(=O)(O)O)P(=O)(O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,491:A:303,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)(O)O)NC(=O)C,
,Family. Representative Entry is ,4TQG,,,,,,,
,,,NDP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,1XTP,,,,,,,
,,,SAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[Se]CC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4M2K,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3BXO,,,,,,,
,,,EDO:B:240,invalid,,,,,C(CO)O,
,,,SAM:A:238,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:238,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,UPP:A:239,valid,,,,,c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,,UPP:B:239,valid,,,,,c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,Family. Representative Entry is ,3N5O,,,,,,,
,,,GSH:A:232,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:233,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:233,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:693,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ECU,,,,,,,
,,,SAH:A:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5KD6,,,,,,,
,,,LBU:B:501,valid,,,,,COC(=O)[C@@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O,
,,,DST:B:502,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:A:501,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,5KCL,,,,,,,
,,,DST:B:501,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:A:501,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,5KCY,,,,,,,
,,,XBU:A:501,valid,,,,,COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O,
,,,XBU:B:501,valid,,,,,COC(=O)[C@]1(C(=C(C(=O)O1)O)c2ccc(cc2)O)Cc3ccc(cc3)O,
,,,GST:B:502,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:A:502,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,5KCQ,,,,,,,
,,,GST:A:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:B:501,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,5KDA,,,,,,,
,,,GEN:A:501,valid,,,,,c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O,
,,,DST:A:502,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:B:501,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,6J3H,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1C9K,,,,,,,
,,,5GP:A:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:605,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:606,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:607,Part of Protein,,,,,[Mg+2],
,,,PO4:A:600,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,POP:C:608,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,6WLF,,,,,,,
,,,OPE:A:501,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:B:501,valid,,,,,C(COP(=O)(O)O)N,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6XU3,,,,,,,
,,,NO3:C:406,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:405,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:404,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:403,invalid,,,,,[N+](=O)([O-])[O-],
,,,PLP:D:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GAB:B:402,valid,,,,,c1cc(cc(c1)N)C(=O)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,PLG:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,,,PLG:C:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCC(=O)O)O,
,Family. Representative Entry is ,6BJA,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5EQ8,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,HSO:A:401,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,5EQ9,,,,,,,
,,,HSA:C:401,valid,,,,,c1c(nc[nH]1)CC(COP(=O)(O)O)N,
,,,HSA:B:401,valid,,,,,c1c(nc[nH]1)CC(COP(=O)(O)O)N,
,,,HSA:D:401,valid,,,,,c1c(nc[nH]1)CC(COP(=O)(O)O)N,
,,,HSA:A:401,valid,,,,,c1c(nc[nH]1)CC(COP(=O)(O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5DNK,,,,,,,
,,,SAH:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5E72,,,,,,,
,,,SAM:A:400,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5O6M,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1008,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1007,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5MAQ,,,,,,,
,,,MG:D:1003,invalid,,,,,[Mg+2],
,,,MG:B:1004,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,ADP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PPV MG :B:1002,invalid,,,,,,
,,,PPV:D:1002,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:A:1002,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:C:1002,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,6ZB6,,,,,,,
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:F:303,Part of Protein,,,,,[Na+],
,,,NA:B:306,invalid,,,,,[Na+],
,,,NA:D:303,Part of Protein,,,,,[Na+],
,,,NA:B:307,invalid,,,,,[Na+],
,,,NA:A:305,invalid,,,,,[Na+],
,,,NA:F:304,invalid,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:C:303,invalid,,,,,[Na+],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GTB:B:301,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:E:301,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:A:301,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:C:301,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,,,GTB:F:301,valid,,,,,c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-],
,Family. Representative Entry is ,6ALW,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,BNV:A:301,valid,,,,,CC[C@H](C)CCCCCCCCCCC(=O)O,
,,,BNV:B:301,valid,,,,,CC[C@H](C)CCCCCCCCCCC(=O)O,
,,,BMJ:B:302,valid,,,,,CC[C@@H](C)CCCCCCCCCCC(=O)O,
,,,BMJ:A:302,valid,,,,,CC[C@@H](C)CCCCCCCCCCC(=O)O,
,,5WOO,,,,,,,
,,,MYR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6B9I,,,,,,,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,NA:B:306,invalid,,,,,[Na+],
,,,NA:B:307,Part of Protein,,,,,[Na+],
,,,D0G:B:301,valid,,,,,CC[C@H](C)CCCCCCCCCCCCC(=O)O,
,,,D0G:A:301,valid,,,,,CC[C@H](C)CCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6EDK,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YA:A:303,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(C[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N)C=O,
,,,MES:A:301,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6CI4,,,,,,,
,,,F5P:A:301,valid,,,,,C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N,
,,6CI5,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YJ:A:303,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,F5G:A:302,valid,,,,,C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)NC=O,
,Family. Representative Entry is ,3LCV,,,,,,,
,,,SAM:B:301,valid,Kd,=,18,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3LCU,,,,,,,
,,,SAH:A:6732,valid,Kd,=,300,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2YCJ,,,,,,,
,,,C2F:A:3000,valid,,,,,C[N@@]1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,GOL:A:1268,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1269,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1270,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YCK,,,,,,,
,,,GOL:X:1271,invalid,,,,,C(C(CO)O)O,
,,,SO4:X:1264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:1270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,THG:X:7216,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,Family. Representative Entry is ,2XCU,,,,,,,
,,,1PE:A:1353,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:1354,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:1353,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:1353,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BME:B:1355,invalid,,,,,C(CS)O,
,,,BME:C:1354,invalid,,,,,C(CS)O,
,,,BME:C:1355,invalid,,,,,C(CS)O,
,,,BME:D:1355,invalid,,,,,C(CS)O,
,,,C5P:A:400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:D:400,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CIT:A:1355,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1356,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1354,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:1353,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:D:1354,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:B:1356,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2OGA,,,,,,,
,,,CL:A:380,invalid,,,,,[Cl-],
,,,CL:B:380,invalid,,,,,[Cl-],
,,,CL:C:380,invalid,,,,,[Cl-],
,,,CL:D:380,invalid,,,,,[Cl-],
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1024,invalid,,,,,C(CO)O,
,,,EDO:B:381,invalid,,,,,C(CO)O,
,,,EDO:B:382,invalid,,,,,C(CO)O,
,,,EDO:C:1026,invalid,,,,,C(CO)O,
,,,NA:A:1022,Part of Protein,,,,,[Na+],
,,,NA:C:1025,Part of Protein,,,,,[Na+],
,,,PGU:A:1020,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:B:1021,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:C:1023,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:D:1024,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,Family. Representative Entry is ,2ZFU,,,,,,,
,,,SAH:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5INJ,,,,,,,
,,,TRP:A:501,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,DST:A:503,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,3KVY,,,,,,,
,,,R2B:A:313,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:B:313,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:A:312,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:312,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,3K9U,,,,,,,
,,,ACO:A:164,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:162,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,BR:A:162,invalid,,,,,[Br-],
,,,CL:A:160,invalid,,,,,[Cl-],
,,,CL:A:163,invalid,,,,,[Cl-],
,,,CL:B:160,invalid,,,,,[Cl-],
,,,NI:A:161,Part of Protein,,,,,[Ni+2],
,,3F0A,,,,,,,
,,,ACO:A:162,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CL:A:161,invalid,,,,,[Cl-],
,,,NI:A:160,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,6TU9,,,,,,,
,,,0LI:B:801,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,,,0LI:A:801,valid,,,,,Cc1ccc(cc1C#Cc2cnc3n2nccc3)C(=O)Nc4ccc(c(c4)C(F)(F)F)CN5CCN(CC5)C,
,Family. Representative Entry is ,1CJW,,,,,,,
,,,COT:A:400,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NCCc4c[nH]c5c4cccc5)O,
,Family. Representative Entry is ,6GB7,,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO:I:1,valid,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO:J:1,valid,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO:L:1,valid,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO:K:1,valid,,,,,,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:402,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLU ASP ALA GLY GLY GLY GLY LEU SER LYS:P:0,valid,,,,,,
,,,GLU ASP ALA GLY GLY GLY GLY LEU SER LYS:R:0,valid,,,,,,
,,1S7X,,,,,,,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:I:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:L:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,6GB5,,,,,,,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,PHE ALA PRO GLY ASN TYR PRO:E:1,valid,,,,,,
,,,PHE ALA PRO GLY ASN TYR PRO:F:1,valid,,,,,,
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY LEU:H:1,valid,,,,,O=C([O-])C(NC(=O)CN)CC(C)C,
,,,GLY LEU:G:1,valid,,,,,O=C([O-])C(NC(=O)CN)CC(C)C,
,,1S7U,,,,,,,
,,,LYS ALA VAL TYR ASN PHE ALA THR MET:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL TYR ASN PHE ALA THR MET:F:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL TYR ASN PHE ALA THR MET:I:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL TYR ASN PHE ALA THR MET:L:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,1S7V,,,,,,,
,,,LYS ALA VAL TYR ASN LEU ALA THR MET:C:1,valid,,,,,,
,,,LYS ALA VAL TYR ASN LEU ALA THR MET:F:1,valid,,,,,,
,,1S7W,,,,,,,
,,,LYS ALA LEU TYR ASN PHE ALA THR MET:C:1,valid,,,,,,
,,,LYS ALA LEU TYR ASN PHE ALA THR MET:F:1,valid,,,,,,
,,,LYS ALA LEU TYR ASN PHE ALA THR MET:I:1,valid,,,,,,
,,,LYS ALA LEU TYR ASN PHE ALA THR MET:L:1,valid,,,,,,
,Family. Representative Entry is ,5N5D,,,,,,,
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:306,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:303,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,BU3:A:302,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:302,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:303,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,Family. Representative Entry is ,4KIB,,,,,,,
,,,CA:A:407,invalid,,,,,[Ca+2],
,,,CA:A:406,invalid,,,,,[Ca+2],
,,,CA:B:406,invalid,,,,,[Ca+2],
,,,CA:A:405,invalid,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,56D:B:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,56D:A:402,valid,,,,,C[C@H](c1ccccc1)C(=O)C(=O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,HF2:B:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,,,HF2:A:404,invalid,,,,,c1ccc(cc1)C[C@H](C(=O)O)O,
,Family. Representative Entry is ,5H62,,,,,,,
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,UDP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5H63,,,,,,,
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:D:402,Part of Protein,,,,,[Mn+2],
,,,MN:C:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,UD1:D:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,2IV3,,,,,,,
,,,GOL:A:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1354,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:1353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:1353,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
3.4.22.17,,,,,,,,,
,Family. Representative Entry is ,4WQ2,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,3SU:A:301,valid,ic50,=,0.5,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,,3SU:B:301,valid,ic50,=,0.5,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,4WQ3,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,3SU:B:306,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,,3SU:A:306,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,,3SU:B:305,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,,3SU:A:305,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)[nH]cc2/C=C(/C(=O)O)S,
,,5D69,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,57T:B:305,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/SS/C(=Cc2ccc(cc2)I)/C(=O)O)I,
,,,57T:A:305,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/SS/C(=Cc2ccc(cc2)I)/C(=O)O)I,
,,1NX3,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,ISA:A:267,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)S)I,
,,1ALW,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,CA:A:4,Part of Protein,,,,,[Ca+2],
,,,CA:B:5,Part of Protein,,,,,[Ca+2],
,,,CA:B:6,Part of Protein,,,,,[Ca+2],
,,,CA:B:7,Part of Protein,,,,,[Ca+2],
,,,CA:B:8,Part of Protein,,,,,[Ca+2],
,,,ISA:A:11,valid,Ki,=,0.3,uM,c1cc(ccc1C[C@@H](C(=O)O)S)I,
,,,ISA:B:12,valid,Ki,=,0.3,uM,c1cc(ccc1C[C@@H](C(=O)O)S)I,
,,4PHK,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,2UB:B:301,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/S)Cl,
,,,2UB:A:301,valid,,,,,c1cc(ccc1/C=C(C(=O)O)/S)Cl,
,,4PHM,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,2UD:B:301,valid,,,,,c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O,
,,,2UD:A:301,valid,,,,,c1cc2c(cc1Br)c(c[nH]2)CC(=S)C(=O)O,
,Family. Representative Entry is ,1NX0,,,,,,,
,,,ALA LYS ALA ILE ALA:E:801,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCC[NH3+])C)C(CC)C,
,,,CA:A:900,Part of Protein,,,,,[Ca+2],
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:B:904,Part of Protein,,,,,[Ca+2],
,,,CA:B:905,Part of Protein,,,,,[Ca+2],
2.7.1.183,,,,,,,,,
,Family. Representative Entry is ,5GZA,,,,,,,
,,,MAN NAG NGA:A:405,valid,Kd,=,30.2,uM,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
2.2.1.9,,,,,,,,,
,Family. Representative Entry is ,2X7J,,,,,,,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,NA:A:1581,Part of Protein,,,,,[Na+],
,,,NA:B:1581,Part of Protein,,,,,[Na+],
,,,NA:C:1579,Part of Protein,,,,,[Na+],
,,,NA:D:1581,Part of Protein,,,,,[Na+],
,,,SO4:A:1582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1580,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1581,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1582,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1583,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,5ESO,,,,,,,
,,,BME:D:603,invalid,,,,,C(CS)O,
,,,BME:C:606,invalid,,,,,C(CS)O,
,,,ISC:B:602,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,ISC:A:602,valid,,,,,C=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1O)C(=O)O,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:601,Part of Protein,,,,,[Mg+2],
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:C:602,invalid,,,,,C(=O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,TDP:D:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:605,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,6O0J,,,,,,,
,,,FMT:D:605,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,DNA:B:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:D:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:A:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:C:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,TDP:D:604,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:604,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:C:603,invalid,,,,,CC(=O)[O-],
,,,ACT:D:603,invalid,,,,,CC(=O)[O-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,5ESU,,,,,,,
,,,BME:D:603,invalid,,,,,C(CS)O,
,,,BME:C:603,invalid,,,,,C(CS)O,
,,,TOI:D:602,valid,,,,,[H]/N=C/1C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C,
,,,TOI:C:601,valid,,,,,[H]/N=C/1C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,5ESS,,,,,,,
,,,ACT:D:605,invalid,,,,,CC(=O)[O-],
,,,ACT:D:606,invalid,,,,,CC(=O)[O-],
,,,ACT:D:604,invalid,,,,,CC(=O)[O-],
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:D:603,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,TOG:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TOG:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,DPO:A:606,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,6O0G,,,,,,,
,,,FMT:D:605,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:B:605,invalid,,,,,C(=O)O,
,,,FMT:D:604,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:602,invalid,,,,,C(=O)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,TOG:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TOG:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C-](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,DNA:B:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:D:603,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:A:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:C:603,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,CL:D:606,invalid,,,,,[Cl-],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,PGE:B:606,invalid,,,,,C(COCCOCCO)O,
,,,AKG:A:608,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5ESD,,,,,,,
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,TDP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:D:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:A:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,6O04,,,,,,,
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,TOI:C:601,valid,,,,,[H]/N=C/1C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C,
,,,TOI:D:602,valid,,,,,[H]/N=C/1C(=CNC(=N1)C)C[n+]2c(c(sc2[C@](CCC(=O)O)([C@H]3C=C[C@@H]([C@H]([C@@H]3C(=O)O)O)OC(=C)C(=O)O)O)CCOP(=O)(O)OP(=O)(O)O)C,
,,,DNA:B:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:D:603,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:A:601,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,DNA:C:603,valid,,,,,c1ccc2c(c1)c(cc(c2O)C(=O)O)O,
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,3HWW,,,,,,,
,,,AKG:A:557,valid,Kd,=,75,nM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:557,valid,Kd,=,75,nM,C(CC(=O)O)C(=O)C(=O)O,
,,,CL:A:563,invalid,,,,,[Cl-],
,,,CL:D:568,invalid,,,,,[Cl-],
,,,GOL:A:577,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:579,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:580,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:569,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:571,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:581,invalid,,,,,C(C(CO)O)O,
,,,MG:A:558,Part of Protein,,,,,[Mg+2],
,,,MG:D:558,Part of Protein,,,,,[Mg+2],
,,,NA:A:559,Part of Protein,,,,,[Na+],
,,,NA:A:560,Part of Protein,,,,,[Na+],
,,,NA:A:561,Part of Protein,,,,,[Na+],
,,,NA:A:562,Part of Protein,,,,,[Na+],
,,,NA:A:564,Part of Protein,,,,,[Na+],
,,,NA:A:565,Part of Protein,,,,,[Na+],
,,,NA:A:566,Part of Protein,,,,,[Na+],
,,,NA:A:567,Part of Protein,,,,,[Na+],
,,,NA:A:568,Part of Protein,,,,,[Na+],
,,,NA:A:569,Part of Protein,,,,,[Na+],
,,,NA:A:570,Part of Protein,,,,,[Na+],
,,,NA:A:571,Part of Protein,,,,,[Na+],
,,,NA:A:572,Part of Protein,,,,,[Na+],
,,,NA:A:573,Part of Protein,,,,,[Na+],
,,,NA:A:574,Part of Protein,,,,,[Na+],
,,,NA:A:575,Part of Protein,,,,,[Na+],
,,,NA:A:576,Part of Protein,,,,,[Na+],
,,,NA:A:578,Part of Protein,,,,,[Na+],
,,,NA:D:559,Part of Protein,,,,,[Na+],
,,,NA:D:560,Part of Protein,,,,,[Na+],
,,,NA:D:561,Part of Protein,,,,,[Na+],
,,,NA:D:562,Part of Protein,,,,,[Na+],
,,,NA:D:563,Part of Protein,,,,,[Na+],
,,,NA:D:564,Part of Protein,,,,,[Na+],
,,,NA:D:565,Part of Protein,,,,,[Na+],
,,,NA:D:566,Part of Protein,,,,,[Na+],
,,,NA:D:567,Part of Protein,,,,,[Na+],
,,,NA:D:570,Part of Protein,,,,,[Na+],
,,,NA:D:572,Part of Protein,,,,,[Na+],
,,,NA:D:573,Part of Protein,,,,,[Na+],
,,,NA:D:574,Part of Protein,,,,,[Na+],
,,,NA:D:575,Part of Protein,,,,,[Na+],
,,,NA:D:576,Part of Protein,,,,,[Na+],
,,,NA:D:577,Part of Protein,,,,,[Na+],
,,,NA:D:578,Part of Protein,,,,,[Na+],
,,,NA:D:579,Part of Protein,,,,,[Na+],
,,,NA:D:580,Part of Protein,,,,,[Na+],
,,5EJ9,,,,,,,
,,,GOL:E:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:604,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:H:601,invalid,,,,,C(=O)O,
,,,FMT:F:601,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:E:604,invalid,,,,,C(=O)O,
,,,FMT:D:601,invalid,,,,,C(=O)O,
,,,FMT:G:604,invalid,,,,,C(=O)O,
,,,TPP:E:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:C:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:H:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:F:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:G:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:D:602,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,MN:D:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:603,Part of Protein,,,,,[Mn+2],
,,,MN:H:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,5EJ5,,,,,,,
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,GOL:F:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:603,invalid,,,,,C(C(CO)O)O,
,,5EJ4,,,,,,,
,,,GOL:E:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:604,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:C:605,invalid,,,,,C(=O)O,
,,,FMT:H:601,invalid,,,,,C(=O)O,
,,,FMT:F:601,invalid,,,,,C(=O)O,
,,,FMT:E:605,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:D:601,invalid,,,,,C(=O)O,
,,,FMT:G:605,invalid,,,,,C(=O)O,
,,,TD6:D:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MN:D:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:603,Part of Protein,,,,,[Mn+2],
,,,MN:H:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,5EJ7,,,,,,,
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:605,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,GOL:E:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:603,invalid,,,,,C(C(CO)O)O,
,,5Z2R,,,,,,,
,,,FMT:E:605,invalid,,,,,C(=O)O,
,,,FMT:D:603,invalid,,,,,C(=O)O,
,,,FMT:D:608,invalid,,,,,C(=O)O,
,,,FMT:G:606,invalid,,,,,C(=O)O,
,,,FMT:G:603,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:C:605,invalid,,,,,C(=O)O,
,,,FMT:F:606,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:D:604,invalid,,,,,C(=O)O,
,,,FMT:D:607,invalid,,,,,C(=O)O,
,,,FMT:C:607,invalid,,,,,C(=O)O,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:F:605,invalid,,,,,C(=O)O,
,,,FMT:E:603,invalid,,,,,C(=O)O,
,,,FMT:F:603,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:G:604,invalid,,,,,C(=O)O,
,,,FMT:E:602,invalid,,,,,C(=O)O,
,,,FMT:F:604,invalid,,,,,C(=O)O,
,,,FMT:G:605,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:D:606,invalid,,,,,C(=O)O,
,,,FMT:H:603,invalid,,,,,C(=O)O,
,,,FMT:E:604,invalid,,,,,C(=O)O,
,,,FMT:C:606,invalid,,,,,C(=O)O,
,,,FMT:D:605,invalid,,,,,C(=O)O,
,,,FMT:E:606,invalid,,,,,C(=O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:F:602,Part of Protein,,,,,[Mg+2],
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,TDP:E:607,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:608,invalid,,,,,C(C(CO)O)O,
,,5EJ6,,,,,,,
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,5EJA,,,,,,,
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,GOL:F:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:603,invalid,,,,,C(C(CO)O)O,
,,5EJ8,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:H:608,Part of Protein,,,,,[Mg+2],
,,,MG:E:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:607,Part of Protein,,,,,[Mg+2],
,,,MG:F:604,Part of Protein,,,,,[Mg+2],
,,,MG:H:604,Part of Protein,,,,,[Mg+2],
,,,MG:D:608,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:607,Part of Protein,,,,,[Mg+2],
,,,MG:G:605,Part of Protein,,,,,[Mg+2],
,,,MG:E:607,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,Part of Protein,,,,,[Mg+2],
,,,MG:G:603,Part of Protein,,,,,[Mg+2],
,,,MG:C:608,Part of Protein,,,,,[Mg+2],
,,,FMT:B:601,invalid,,,,,C(=O)O,
,,,FMT:C:609,invalid,,,,,C(=O)O,
,,,FMT:H:606,invalid,,,,,C(=O)O,
,,,FMT:B:613,invalid,,,,,C(=O)O,
,,,FMT:B:612,invalid,,,,,C(=O)O,
,,,FMT:H:613,invalid,,,,,C(=O)O,
,,,FMT:F:601,invalid,,,,,C(=O)O,
,,,FMT:G:612,invalid,,,,,C(=O)O,
,,,FMT:G:609,invalid,,,,,C(=O)O,
,,,FMT:D:609,invalid,,,,,C(=O)O,
,,,FMT:H:610,invalid,,,,,C(=O)O,
,,,FMT:E:606,invalid,,,,,C(=O)O,
,,,FMT:D:601,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,FMT:E:611,invalid,,,,,C(=O)O,
,,,FMT:E:608,invalid,,,,,C(=O)O,
,,,FMT:E:609,invalid,,,,,C(=O)O,
,,,FMT:E:613,invalid,,,,,C(=O)O,
,,,FMT:D:607,invalid,,,,,C(=O)O,
,,,FMT:C:612,invalid,,,,,C(=O)O,
,,,FMT:F:611,invalid,,,,,C(=O)O,
,,,FMT:G:615,invalid,,,,,C(=O)O,
,,,FMT:C:614,invalid,,,,,C(=O)O,
,,,FMT:D:612,invalid,,,,,C(=O)O,
,,,FMT:B:606,invalid,,,,,C(=O)O,
,,,FMT:G:614,invalid,,,,,C(=O)O,
,,,FMT:E:610,invalid,,,,,C(=O)O,
,,,FMT:A:617,invalid,,,,,C(=O)O,
,,,FMT:H:601,invalid,,,,,C(=O)O,
,,,FMT:F:607,invalid,,,,,C(=O)O,
,,,FMT:F:608,invalid,,,,,C(=O)O,
,,,FMT:G:606,invalid,,,,,C(=O)O,
,,,FMT:B:609,invalid,,,,,C(=O)O,
,,,FMT:E:605,invalid,,,,,C(=O)O,
,,,FMT:G:608,invalid,,,,,C(=O)O,
,,,FMT:B:611,invalid,,,,,C(=O)O,
,,,FMT:A:616,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:B:610,invalid,,,,,C(=O)O,
,,,FMT:D:610,invalid,,,,,C(=O)O,
,,,FMT:G:611,invalid,,,,,C(=O)O,
,,,FMT:A:618,invalid,,,,,C(=O)O,
,,,FMT:B:608,invalid,,,,,C(=O)O,
,,,FMT:C:617,invalid,,,,,C(=O)O,
,,,FMT:G:607,invalid,,,,,C(=O)O,
,,,TD6:D:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:H:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:602,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:607,invalid,,,,,C(C(CO)O)O,
,,,MN:D:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:C:603,Part of Protein,,,,,[Mn+2],
,,,MN:F:603,Part of Protein,,,,,[Mn+2],
,,,MN:H:603,Part of Protein,,,,,[Mn+2],
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:G:613,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:F:610,invalid,,,,,C(CO)O,
,,,EDO:A:615,invalid,,,,,C(CO)O,
,,,EDO:E:612,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:H:612,invalid,,,,,C(CO)O,
,,,EDO:F:609,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:C:601,invalid,,,,,C(CO)O,
,,,EDO:H:609,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:D:611,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:G:610,invalid,,,,,C(CO)O,
,,,TRS:C:606,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2JLC,,,,,,,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,TPP:A:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,5Z2P,,,,,,,
,,,FMT:E:605,invalid,,,,,C(=O)O,
,,,FMT:D:603,invalid,,,,,C(=O)O,
,,,FMT:F:607,invalid,,,,,C(=O)O,
,,,FMT:G:603,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:F:606,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:B:605,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:F:605,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:E:603,invalid,,,,,C(=O)O,
,,,FMT:F:603,invalid,,,,,C(=O)O,
,,,FMT:G:604,invalid,,,,,C(=O)O,
,,,FMT:C:603,invalid,,,,,C(=O)O,
,,,FMT:F:604,invalid,,,,,C(=O)O,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:H:603,invalid,,,,,C(=O)O,
,,,FMT:E:604,invalid,,,,,C(=O)O,
,,,FMT:F:608,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:F:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MN:E:602,Part of Protein,,,,,[Mn+2],
,,,MN:H:602,Part of Protein,,,,,[Mn+2],
,,,MN:G:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:F:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,GOL:G:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,5Z2U,,,,,,,
,,,GOL:H:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,TD6:H:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:B:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:A:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:E:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:G:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:D:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,TD6:C:601,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@H](CCC(=O)O)O)CCOP(=O)(O)OP(=O)(O)O,
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:E:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:G:602,Part of Protein,,,,,[Mg+2],
,,,MG:F:602,Part of Protein,,,,,[Mg+2],
,,,MG:H:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,FMT:H:604,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,FMT:C:604,invalid,,,,,C(=O)O,
,,,FMT:F:605,invalid,,,,,C(=O)O,
,,,FMT:E:603,invalid,,,,,C(=O)O,
,,,FMT:G:604,invalid,,,,,C(=O)O,
,,,FMT:F:604,invalid,,,,,C(=O)O,
,,,FMT:E:604,invalid,,,,,C(=O)O,
,,,FMT:D:605,invalid,,,,,C(=O)O,
,,,EDO:F:603,invalid,,,,,C(CO)O,
,,,TDP:F:601,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
3.4.17.17,,,,,,,,,
,Family. Representative Entry is ,6J8F,,,,,,,
,,,GLY GLU GLU GLU GLY GLU CYS TYR:C:446,valid,,,,,SCC(NC(=O)C(NC(=O)CNC(=O)C(N)CCC(=O)[O-])CCC(=O)[O-])C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1,
2.7.1.2,,,,,,,,,
,Family. Representative Entry is ,4DHY,,,,,,,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,S41:A:502,valid,,,,,Cc1cc2c(o1)cc(cc2Oc3cnc(nc3)C(=O)N(C)C)C(=O)Nc4cnc(cn4)C,
,,3FGU,,,,,,,
,,,ANP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BGC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,K:A:800,Part of Protein,,,,,[K+],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,3IDH,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,K:A:600,Part of Protein,,,,,[K+],
,,3VEV,,,,,,,
,,,0H4:A:502,valid,,,,,Cc1ccc(nc1)NC(=O)[C@H](CC2CCCC2)N3C=CC(=CC3=O)C(F)(F)F,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,5V4W,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,8WM:A:501,valid,,,,,c1cc2c(cnn2[C@@H](CC3CCOCC3)C(=O)Nc4ncc(s4)F)c(c1)S(=O)(=O)C5CC5,
,,,IOD:A:502,invalid,,,,,[I-],
,,4ISE,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,1FW:A:501,valid,,,,,c1cc2c(cc1F)C(=O)N(C=N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4,
,,,IOD:A:502,invalid,,,,,[I-],
,,3VF6,,,,,,,
,,,0H6:A:502,valid,,,,,c1cc(ncc1C(=O)O)NC(=O)[C@H](CC2CCCC2)n3cc(nc3)C(F)(F)F,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,4RCH,,,,,,,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,3LZ:A:502,valid,,,,,CCc1c(cccn1)Oc2cc(cnc2NC(=O)NC)Sc3ccccn3,
,,3VEY,,,,,,,
,,,0H5:A:504,valid,,,,,Cn1ccc(n1)Nc2c3cc(ccc3ncn2)OC,
,,,AGS:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,3IMX,,,,,,,
,,,B84:A:466,valid,,,,,CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)[C@@H](CC3CCCC3)C(=O)Nc4nc5ccc(nc5s4)OC,
,,,GLC:A:1,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:467,Part of Protein,,,,,[Na+],
,,3A0I,,,,,,,
,,,AJI:X:501,valid,,,,,Cc1csc(n1)NC(=O)c2c(ccc(n2)Sc3nncn3C)Sc4ccc(cc4)F,
,,,GLC:X:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:X:600,Part of Protein,,,,,[Na+],
,,5V4X,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,8WJ:A:501,valid,,,,,c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4,
,,4ISF,,,,,,,
,,,1FX:A:501,valid,,,,,c1cc2c(cc1F)C(=O)N(C(=O)N2)[C@@H](CC3CCCCC3)C(=O)Nc4nccs4,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IOD:A:502,invalid,,,,,[I-],
,,3F9M,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MRK:A:501,valid,,,,,Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3,
,,4DCH,,,,,,,
,,,4DC:A:502,valid,,,,,CS(=O)(=O)c1ccc(cc1)[C@@H](CC2CCCC2)C(=O)Nc3nccs3,
,,,GLC:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,1V4S,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MRK:A:501,valid,,,,,Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3,
,,,NA:A:600,Part of Protein,,,,,[Na+],
,,3H1V,,,,,,,
,,,GLC:X:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NA:X:600,Part of Protein,,,,,[Na+],
,,,TK1:X:501,valid,,,,,CS(=O)(=O)c1ccc(cc1)Oc2cc3c(cc2CN4C(=O)CCC4=O)[nH]c(n3)c5ccccn5,
,,3ID8,,,,,,,
,,,ANP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,K:A:800,Part of Protein,,,,,[K+],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MRK:A:501,valid,,,,,Cn1ccnc1Sc2cc(c(cc2F)N)C(=O)Nc3nccs3,
,,3QIC,,,,,,,
,,,GLC:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5BRE,,,,,,,
,,,4UZ:A:500,valid,Ki,=,0.71,uM,c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O,
,,,4UZ:B:500,valid,Ki,=,0.71,uM,c1ccc(cc1)COC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O,
,,5BRD,,,,,,,
,,,BG8:A:500,valid,Ki,=,32,uM,c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O,
,,,BG8:B:500,valid,Ki,=,32,uM,c1ccc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)CO)O)O,
,,5BRH,,,,,,,
,,,4V3:A:500,valid,Ki,=,4.1,uM,c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O,
,,,4V3:B:500,valid,Ki,=,4.1,uM,c1ccc2c(c1)C=C(S2(=O)=O)COC(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O,
,,2Q2R,,,,,,,
,,,ADP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BGC:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5BRF,,,,,,,
,,,4V5:A:500,valid,Ki,=,1.3,uM,c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O,
,,,4V5:B:500,valid,Ki,=,1.3,uM,c1cc(ccc1CCC(=O)N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O)O,
,Family. Representative Entry is ,6Q27,,,,,,,
,,,BM3:D:301,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:A:301,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:B:301,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:C:301,invalid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,6Q28,,,,,,,
,,,NAG:D:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3VGL,,,,,,,
,,,ANP:A:325,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,BGC:A:324,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NA:A:323,Part of Protein,,,,,[Na+],
,,,ZN:A:322,Part of Protein,,,,,[Zn+2],
,,3VGM,,,,,,,
,,,BGC:A:322,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,K:A:324,Part of Protein,,,,,[K+],
,,,ZN:A:323,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1UA4,,,,,,,
,,,AMP:A:1456,valid,Ki,~,0.06,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BGC:A:2457,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:1457,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,1SZ2,,,,,,,
,,,BGC:A:1001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:2001,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
1.3.1.6,,,,,,,,,
,Family. Representative Entry is ,5ZYN,,,,,,,
,,,FMN:B:603,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:B:604,valid,Kd,=,4.92,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SIN:B:602,valid,,,,,C(CC(=O)O)C(=O)O,
3.5.2.3,,,,,,,,,
,Family. Representative Entry is ,4BJH,,,,,,,
,,,PO4:B:293,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:311,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,ZN:A:423,Part of Protein,,,,,[Zn+2],
,,,DOR:A:425,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,PAL:B:292,valid,,,,,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,BA:B:296,invalid,,,,,[Ba+2],
,,,BA:B:297,Part of Protein,,,,,[Ba+2],
,,,BA:B:295,invalid,,,,,[Ba+2],
,,3D6N,,,,,,,
,,,FLC:A:424,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:292,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:423,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5G1N,,,,,,,
,,,PAL:F:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:C:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:B:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:D:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:E:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,PAL:A:3226,valid,Kd,=,0.017,uM,C([C@@H](C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O,
,,,EDO:F:3227,invalid,,,,,C(CO)O,
,,,EDO:D:3227,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2EG7,,,,,,,
,,,OTD:A:410,valid,Ki,=,1.3,uM,C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O,
,,,OTD:B:410,valid,Ki,=,1.3,uM,C1=C(NC(=O)N[C@H]1C(=O)O)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z28,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z25,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2EG8,,,,,,,
,,,FOT:A:410,valid,Ki,=,31.8,uM,C1(=C(NC(=O)NC1=O)C(=O)O)F,
,,,FOT:B:410,valid,Ki,=,31.8,uM,C1(=C(NC(=O)NC1=O)C(=O)O)F,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z2A,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,DOR:B:1411,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z26,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,DOR:B:1430,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,MLI:A:1440,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NCD:B:1420,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z24,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,1XGE,,,,,,,
,,,DOR:A:1410,valid,Kd,=,20.8,uM,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,1J79,,,,,,,
,,,NCD:A:950,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,NCD:B:411,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ORO:A:410,valid,,,,,C1=C(NC(=O)NC1=O)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z29,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2Z27,,,,,,,
,,,DOR:A:1410,valid,,,,,C1[C@H](NC(=O)NC1=O)C(=O)O,
,,,NCD:B:2410,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4YIW,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,NCD:A:503,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
,,,NCD:B:503,valid,,,,,C([C@@H](C(=O)O)NC(=O)N)C(=O)O,
6.3.4.5,,,,,,,,,
,Family. Representative Entry is ,1K97,,,,,,,
,,,ASP:A:501,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,CIR:A:502,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,1KP2,,,,,,,
,,,ATP:A:459,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GAI:A:460,invalid,,,,,C(=N)(N)N,
,,,PO4:A:456,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:457,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:458,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KP3,,,,,,,
,,,ATP:A:457,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIR:A:458,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:A:459,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,GAI:A:460,invalid,,,,,C(=N)(N)N,
,,,GAI:A:461,invalid,,,,,C(=N)(N)N,
,,,PO4:A:456,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2NZ2,,,,,,,
,,,ASP:A:501,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,CIR:A:502,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,NA:A:503,invalid,,,,,[Na+],
,Family. Representative Entry is ,1KOR,,,,,,,
,,,ANP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ARG:A:520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:2520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:3520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,SIN:A:530,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:1530,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:2530,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:D:3530,valid,,,,,C(CC(=O)O)C(=O)O,
,,1J1Z,,,,,,,
,,,ASP:A:2530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:3530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:4530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ATP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:4510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIR:A:520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:B:2520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:C:3520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:D:4520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,1KH2,,,,,,,
,,,ATP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1KH3,,,,,,,
,,,ANP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:4510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ARG:A:2520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:3520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:4520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ASP:A:2530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:3530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:4530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:A:530,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,MG:A:550,invalid,,,,,[Mg+2],
,,,MG:B:4550,invalid,,,,,[Mg+2],
,,,MG:C:2550,invalid,,,,,[Mg+2],
,,,MG:D:3550,invalid,,,,,[Mg+2],
,,,SO4:A:540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:4540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:3540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J20,,,,,,,
,,,AMP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:4510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AS1:A:520,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:B:2520,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:C:3520,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,AS1:D:4520,valid,,,,,[H]/N=C(/NCCC[C@@H](C(=O)O)N)NC(CC(=O)O)C(=O)O,
,,,SO4:A:540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1J21,,,,,,,
,,,ATP:A:510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:2510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:3510,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIR:A:520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:B:1520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:C:2520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
,,,CIR:D:3520,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=O)N,
1.13.12.7,,,,,,,,,
,Family. Representative Entry is ,3IES,,,,,,,
,,,M24:A:552,valid,Kd,~,120,pM,c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)F,
,,4G37,,,,,,,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,SLU:A:601,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,,SLU:B:601,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XLX:A:602,Part of Protein,,,,,C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O,
,,,XLX:B:602,Part of Protein,,,,,C(CC(=O)NCCNC(=O)CCC(=O)O)CC(=O)O,
,,3RIX,,,,,,,
,,,923:A:552,valid,,,,,CC(C)([C@H]1Cc2cc(ccc2O1)/C=C3/C(=C(C(=O)O3)c4ccc5c(c4)C[C@@H](O5)C(C)(C)O)O)O,
,,5KYT,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,SLU:B:601,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,,SLU:A:601,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,4E5D,,,,,,,
,,,0NJ:A:601,valid,,,,,COc1ccc2c(c1)sc(n2)c3ccccc3F,
,Family. Representative Entry is ,2D1S,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,SLU:A:2001,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,2D1R,,,,,,,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,OLU:A:2001,valid,,,,,c1cc2c(cc1O)sc(n2)C3=NC(=O)CS3,
,,2D1Q,,,,,,,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2D1T,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,SLU:A:2001,valid,,,,,c1cc2c(cc1O)sc(n2)c3nc(cs3)C(=O)NS(=O)(=O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
3.5.2.6,,,,,,,,,
,Family. Representative Entry is ,5EOO,,,,,,,
,,,CIT:C:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:304,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,IPA:D:303,invalid,,,,,CC(C)O,
,,,CL:D:301,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,PGE:A:303,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,MRD:A:305,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,5EOE,,,,,,,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:308,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,1PE:A:304,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,MRD:A:306,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,IPA:A:305,invalid,,,,,CC(C)O,
,,,IPA:B:305,invalid,,,,,CC(C)O,
,,,PGE:B:304,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,2QDT,,,,,,,
,,,I38:A:501,valid,Ki,=,6.5,uM,C[C@H](C(=O)O)NC(=O)CCS,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,2HB9,,,,,,,
,,,L13:A:500,valid,ic50,=,15,uM,Cc1ccccc1C2=NNC(=S)N2N,
,,,L13:A:501,valid,ic50,=,15,uM,Cc1ccccc1C2=NNC(=S)N2N,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,5DPX,,,,,,,
,,,L3B:B:403,valid,,,,,Cc1ccccc1C2=NC(=S)N=N2,
,,,L3B:A:403,valid,,,,,Cc1ccccc1C2=NC(=S)N=N2,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2GFJ,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VI:A:1410,valid,ic50,=,150,uM,c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O,
,,,VI:B:2410,valid,ic50,=,150,uM,c1ccc(cc1)c2c(c(n(n2)c3ccccc3)C(=O)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,2GFK,,,,,,,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,,,PEG:A:1005,invalid,,,,,C(COCCO)O,
,,,PEG:B:1001,invalid,,,,,C(COCCO)O,
,,,PEG:B:1004,invalid,,,,,C(COCCO)O,
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VII:A:1410,valid,ic50,=,30,uM,c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O,
,,,VII:B:2410,valid,ic50,=,30,uM,c1ccc(cc1)c2c(c(c(o2)c3ccccc3)C(=O)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,5EVB,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3R9:A:403,valid,Ki,=,10,uM,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,2AIO,,,,,,,
,,,MX1:A:1,valid,,,,,CO[C@]([C@@H]1N=C(C(=C)CO1)C(=O)O)(C(=O)O)NC(=O)[C@@H](c2ccc(cc2)O)C(=O)O,
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:314,Part of Protein,,,,,[Zn+2],
,,,ZN:A:315,Part of Protein,,,,,[Zn+2],
,,2FU8,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,MCO:A:1410,valid,Ki,=,20,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,MCO:B:2410,valid,Ki,=,20,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,5EVK,,,,,,,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3C7:A:401,valid,Ki,=,12,uM,C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O,
,,5EVD,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VC2:A:401,valid,Ki,=,10,uM,CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C,
,,2FU9,,,,,,,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:10,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:9,invalid,,,,,C(C(CO)O)O,
,,,MP2:A:1410,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O,
,,,MP2:B:2410,valid,,,,,c1ccc(cc1)COC(=O)N[C@@H](CS)C(=O)NCC(=O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KR3,,,,,,,
,,,113:A:602,valid,Ki,=,10,uM,C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2,
,,,113:B:601,valid,Ki,=,10,uM,C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,1HLK,,,,,,,
,,,113:A:2002,valid,Ki,=,10,uM,C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2,
,,,113:B:2003,valid,Ki,=,10,uM,C[C@H]1CC2=C([C@@H](O1)OC)C(=O)c3c(cc(c(c3C(=O)O)O)O)O2,
,,,NA:A:2001,Part of Protein,,,,,[Na+],
,,,NA:B:2002,Part of Protein,,,,,[Na+],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1004,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1PI5,,,,,,,
,,,K:A:2,Part of Protein,,,,,[K+],
,,,K:B:3,Part of Protein,,,,,[K+],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SM2:A:401,valid,Ki,=,17,nM,B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O,
,,,SM2:B:400,valid,Ki,=,17,nM,B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O,
,,,SM2:B:401,valid,Ki,=,17,nM,B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O,
,,1L2S,,,,,,,
,,,STC:A:1115,valid,Ki,=,26,uM,c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl,
,,,STC:B:2115,valid,Ki,=,26,uM,c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl,
,,,STC:B:3115,valid,Ki,=,26,uM,c1cc(ccc1NS(=O)(=O)c2ccsc2C(=O)O)Cl,
,,4OLD,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2UZ:A:401,valid,,,,,C1C=C(NC(S1)C(C(=O)O)N)C(=O)O,
,,,2UZ:B:401,valid,,,,,C1C=C(NC(S1)C(C(=O)O)N)C(=O)O,
,,4JXW,,,,,,,
,,,1MW:B:401,valid,Ki,=,19,uM,c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O,
,,,1MW:A:401,valid,Ki,=,19,uM,c1cc(ccc1CCCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KZ8,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1U6:A:402,valid,Ki,=,1.6,mM,CCN1C(=O)CC(=O)N(C1=S)CC,
,,,1U6:B:401,valid,Ki,=,1.6,mM,CCN1C(=O)CC(=O)N(C1=S)CC,
,,,1U6:B:402,valid,Ki,=,1.6,mM,CCN1C(=O)CC(=O)N(C1=S)CC,
,,,1U6:A:401,valid,Ki,=,1.6,mM,CCN1C(=O)CC(=O)N(C1=S)CC,
,,2HDU,,,,,,,
,,,F12:A:1004,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:A:1009,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1001,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1002,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1003,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1005,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1006,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,F12:B:1008,valid,Ki,=,5,mM,CC(=O)Nc1c(ccs1)C(=O)O,
,,,K:B:2001,invalid,,,,,[K+],
,,,PO4:B:2002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KVL,,,,,,,
,,,CLS:A:371,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)O,
,,,KCP:A:380,valid,,,,,CC1=C(N[C@@H](SC1)[C@@H](C(=O)O)NC(=O)Cc2cccs2)C(=O)O,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,THN:B:372,valid,,,,,C=C1CSC(=NC1C(=O)O)[C@@H](C(=O)O)NC(=O)Cc2cccs2,
,,2R9W,,,,,,,
,,,23C:A:365,valid,Ki,=,8,uM,c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O,
,,,23C:B:2,valid,Ki,=,8,uM,c1ccc2c(c1)cccc2C[C@H](C(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:365,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2PU2,,,,,,,
,,,DK2:A:702,valid,Ki,=,37,uM,c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O,
,,,DK2:B:701,valid,Ki,=,37,uM,c1cc(ccc1C[C@H](C(=O)O)N2C(=O)c3ccc(cc3C2=O)C(=O)O)O,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1XGJ,,,,,,,
,,,HTC:A:777,valid,Ki,=,1,uM,c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O,
,,,HTC:B:888,valid,Ki,=,1,uM,c1cc(c(cc1C(=O)O)O)NS(=O)(=O)c2ccsc2C(=O)O,
,,1PI4,,,,,,,
,,,K:A:2,Part of Protein,,,,,[K+],
,,,K:B:3,Part of Protein,,,,,[K+],
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SM3:A:401,valid,Ki,=,37,nM,B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O,
,,,SM3:B:401,valid,Ki,=,37,nM,B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O,
,,1XGI,,,,,,,
,,,NST:B:416,valid,Ki,=,14,uM,c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc2C(=O)O,
,,3GV9,,,,,,,
,,,DMS:B:362,invalid,,,,,CS(=O)C,
,,,DMS:B:363,invalid,,,,,CS(=O)C,
,,,DMS:B:365,invalid,,,,,CS(=O)C,
,,,GV9:A:1,valid,Ki,=,7.5,mM,CC(=O)Nc1ccsc1C(=O)O,
,,,GV9:A:363,valid,Ki,=,7.5,mM,CC(=O)Nc1ccsc1C(=O)O,
,,,GV9:A:364,valid,Ki,=,7.5,mM,CC(=O)Nc1ccsc1C(=O)O,
,,,GV9:B:1,valid,Ki,=,7.5,mM,CC(=O)Nc1ccsc1C(=O)O,
,,,PEG:A:365,invalid,,,,,C(COCCO)O,
,,,PEG:B:364,invalid,,,,,C(COCCO)O,
,,,PEG:B:366,invalid,,,,,C(COCCO)O,
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1O07,,,,,,,
,,,K:A:2,invalid,,,,,[K+],
,,,K:B:1,invalid,,,,,[K+],
,,,MXG:A:400,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C,
,,,MXG:B:400,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)[C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O)NC(=O)C,
,,3GTC,,,,,,,
,,,GTC:A:362,valid,Ki,=,4.5,mM,C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O,
,,,GTC:A:364,valid,Ki,=,4.5,mM,C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O,
,,,GTC:B:1,valid,Ki,=,4.5,mM,C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O,
,,,GTC:B:362,valid,Ki,=,4.5,mM,C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O,
,,,GTC:B:363,valid,Ki,=,4.5,mM,C1CC[C@H]([C@H](C1)C2=NNC(=S)N2)C(=O)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KZ3,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1U1:B:401,valid,Ki,=,1.7,mM,c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N,
,,,1U1:A:401,valid,Ki,=,1.7,mM,c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N,
,,4KZ7,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1U5:A:401,valid,Ki,=,3.2,mM,C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O,
,,,1U5:B:401,valid,Ki,=,3.2,mM,C[C@]12CC[C@](C1(C)C)(OC2=O)C(=O)O,
,,2HDR,,,,,,,
,,,4A3:A:501,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:503,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:506,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:508,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:509,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:510,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:511,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:A:513,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:502,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:504,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:505,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:507,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:512,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:514,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,4A3:B:515,valid,Ki,=,19,mM,c1cc(c(cc1C(=O)O)O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LL9,,,,,,,
,,,AXL:B:964,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C,
,,4JXS,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,18U:B:401,valid,Ki,=,18,uM,c1cc(ccc1CNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O,
,,2R9X,,,,,,,
,,,DMS:A:1,invalid,,,,,CS(=O)C,
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,WH6:A:365,valid,Ki,=,14,uM,c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O,
,,,WH6:B:365,valid,Ki,=,14,uM,c1ccc2c(c1)cccc2C[C@H](CC(=O)O)N3C(=O)c4ccc(cc4C3=O)C(=O)O,
,,4KZ4,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4A1:B:401,valid,Ki,=,0.07,mM,CCCS(=O)(=O)Nc1ccccc1C(=O)O,
,,6T5Y,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,PEG:A:601,invalid,,,,,C(COCCO)O,
,,,C8V:A:602,valid,ic50,=,7.6,uM,C1C[C@H](CNC1)C(=O)NNC(=O)[C@@H]2CC[C@H](CN2C=O)NOS(=O)(=O)O,
,,4KZB,,,,,,,
,,,NZ3:A:403,valid,Ki,=,1.3,mM,C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ3:B:402,valid,Ki,=,1.3,mM,C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ2:A:402,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ2:B:403,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ2:A:401,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ2:A:404,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,,NZ2:B:401,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N(c1ccccc1)S(=O)(=O)C,
,,1L0G,,,,,,,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,1MY8,,,,,,,
,,,PO4:A:965,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SM3:A:964,valid,Ki,=,0.035,uM,B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O,
,,,SM3:B:964,valid,Ki,=,0.035,uM,B([C@H](c1ccccc1)NC(=O)Cc2cccs2)(O)O,
,,2HDS,,,,,,,
,,,4MB:A:1601,valid,Ki,=,10,mM,CS(=O)(=O)Nc1ccc(cc1)C(=O)O,
,,,4MB:A:1602,valid,Ki,=,10,mM,CS(=O)(=O)Nc1ccc(cc1)C(=O)O,
,,,4MB:A:1603,valid,Ki,=,10,mM,CS(=O)(=O)Nc1ccc(cc1)C(=O)O,
,,,NA:B:1501,Part of Protein,,,,,[Na+],
,,,PO4:A:1301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4OKP,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,2V0:B:401,valid,,,,,CC1=C(N[C@H](SC1)[C@@H](C(=O)O)N)C(=O)O,
,,3GRJ,,,,,,,
,,,DMS:B:364,invalid,,,,,CS(=O)C,
,,,DMS:B:367,invalid,,,,,CS(=O)C,
,,,DMS:B:368,invalid,,,,,CS(=O)C,
,,,G14:A:1,valid,Ki,=,1,mM,c1ccc(cc1)c2[nH]cc(n2)C(=O)O,
,,,G14:A:365,valid,Ki,=,1,mM,c1ccc(cc1)c2[nH]cc(n2)C(=O)O,
,,,G14:B:363,valid,Ki,=,1,mM,c1ccc(cc1)c2[nH]cc(n2)C(=O)O,
,,,PEG:A:364,invalid,,,,,C(COCCO)O,
,,,PEG:B:365,invalid,,,,,C(COCCO)O,
,,,PEG:B:366,invalid,,,,,C(COCCO)O,
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KZ5,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1U3:B:401,valid,Ki,<,10,mM,Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O,
,,,1U3:A:401,valid,Ki,<,10,mM,Cc1c(c(no1)c2ccccc2Cl)C(=O)NCC(=O)O,
,,3GVB,,,,,,,
,,,3GV:A:1,valid,Ki,=,2.6,mM,c1ccc(c(c1)N2C[C@H](CC2=O)C(=O)O)O,
,,,DMS:A:365,invalid,,,,,CS(=O)C,
,,,DMS:B:1,invalid,,,,,CS(=O)C,
,,,DMS:B:362,invalid,,,,,CS(=O)C,
,,,DMS:B:363,invalid,,,,,CS(=O)C,
,,,PO4:A:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:364,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4KZ9,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1U7:A:404,valid,,,,,c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O,
,,3GR2,,,,,,,
,,,GF4:A:1,valid,Ki,=,3,mM,CCC1=C(NN(C1=O)c2[nH]nnn2)C,
,,3GSG,,,,,,,
,,,DMS:A:364,invalid,,,,,CS(=O)C,
,,,DMS:A:365,invalid,,,,,CS(=O)C,
,,,DMS:B:1,invalid,,,,,CS(=O)C,
,,,DMS:B:362,invalid,,,,,CS(=O)C,
,,,DMS:B:363,invalid,,,,,CS(=O)C,
,,,DMS:B:364,invalid,,,,,CS(=O)C,
,,,DMS:B:366,invalid,,,,,CS(=O)C,
,,,GF1:A:366,valid,Ki,=,2,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:A:367,valid,Ki,=,2,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:B:365,valid,Ki,=,2,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:362,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:363,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6TPM,,,,,,,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:601,invalid,,,,,C(COCCO)O,
,,,MK7:A:602,valid,ic50,=,6.61,uM,C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2,
,,,CL:A:608,invalid,,,,,[Cl-],
,,,MES:A:605,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4JXV,,,,,,,
,,,1MU:A:402,valid,Ki,=,31,uM,c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O,
,,,1MU:B:401,valid,Ki,=,31,uM,c1cc(ccc1CCNS(=O)(=O)c2ccsc2C(=O)O)C(=O)O,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2HDQ,,,,,,,
,,,C21:A:501,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:A:502,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:A:503,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:A:506,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:A:508,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:A:509,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:504,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:505,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:507,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:510,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:511,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,,C21:B:512,valid,Ki,=,40,mM,c1cc(sc1)C(=O)O,
,,4KZ6,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZB6:B:401,valid,Ki,=,0.8,mM,C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O,
,,3GQZ,,,,,,,
,,,DMS:A:1,invalid,,,,,CS(=O)C,
,,,DMS:A:363,invalid,,,,,CS(=O)C,
,,,GF7:A:362,valid,Ki,=,6.7,mM,CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O,
,,5JOC,,,,,,,
,,,CIT:B:400,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:400,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4KZA,,,,,,,
,,,NZ9:B:403,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:A:404,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:A:402,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:A:405,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:A:403,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:B:401,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:B:402,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,NZ9:A:401,valid,Ki,=,0.2,mM,c1csc(c1S(=O)(=O)NC2CC2)C(=O)O,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6LJ1,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EEX:A:303,valid,ic50,=,4.6,uM,C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O,
,,6D1H,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,KED:A:303,valid,Ki,=,190.2,uM,c1ccc2c(c1)C(=CC(=O)N2)CP(=O)(O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6V1M,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,QNA:A:303,valid,,,,,[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O,
,,6OVZ,,,,,,,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,FMT:B:1005,invalid,,,,,C(=O)O,
,,,N9M:A:1005,valid,,,,,c1ccc(cc1)COC(=O)NOC(=O)O,
,,,N9J:B:1006,valid,,,,,c1ccc(cc1)COC(=O)NO,
,,6D1B,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,FUJ:A:303,valid,Ki,=,123.7,uM,COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O,
,,6LJ6,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EFF:A:301,valid,ic50,=,11.1,uM,C[C@H](CS)C(=O)N1CCC(CC1)C(=O)N,
,,6LJ8,,,,,,,
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:306,Part of Protein,,,,,[Zn+2],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EG0:A:301,valid,ic50,=,19.8,uM,C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)O,
,,4RL0,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,3S0:B:303,valid,,,,,CO/N=C(/c1ccco1)C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O,
,,,3S0:A:303,valid,,,,,CO/N=C(/c1ccco1)C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O,
,,5O2E,,,,,,,
,,,UNL:A:305,invalid,,,,,NULL,
,,,UNL:B:301,invalid,,,,,NULL,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,3S0:B:304,valid,,,,,CO/N=C(/c1ccco1)C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O,
,,,3S0:A:304,valid,,,,,CO/N=C(/c1ccco1)C(=O)N[C@@H]([C@@H]2N=C([C@H](CS2)COC(=O)N)C(=O)O)C(=O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5YPN,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,LMP:B:303,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,LMP:A:303,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6NY7,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,L8J:A:303,valid,,,,,c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br,
,,6LJ0,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EER:A:301,valid,ic50,=,6.9,uM,C[C@H](CS)C(=O)N1CCCC[C@@H]1C(=O)O,
,,5YPK,,,,,,,
,,,ZN:G:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:302,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:F:302,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:C:307,Part of Protein,,,,,[Na+],
,,,NA:D:307,Part of Protein,,,,,[Na+],
,,,NA:D:306,invalid,,,,,[Na+],
,,,NA:G:304,Part of Protein,,,,,[Na+],
,,,NA:C:306,Part of Protein,,,,,[Na+],
,,,NA:E:305,Part of Protein,,,,,[Na+],
,,,NA:F:305,invalid,,,,,[Na+],
,,,HIW:A:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:G:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:E:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:H:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:F:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:D:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:C:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:B:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,CL:D:305,invalid,,,,,[Cl-],
,,5O2F,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,ZZ7:A:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:B:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,6D1E,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,XJE:A:303,valid,,,,,Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O,
,,6D1D,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,GTV:A:303,valid,Ki,=,33.8,uM,Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C,
,,4RL2,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,3S3:B:303,valid,,,,,C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+],
,,,3S3:A:303,valid,,,,,C[C@@H]1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)[NH3+],
,,6RMF,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K9B:A:307,valid,,,,,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O,
,,,K9K:A:306,valid,,,,,[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O,
,,,K9K:B:303,valid,,,,,[B-]12([C@H](Cc3cccc(c3O1)C(=O)O)N=C(O2)CC4CCC(CC4)NCCN)O,
,,6EFJ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,O5E:A:303,valid,Ki,=,477,uM,c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3,
,,6D1I,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,T6Z:A:303,valid,Ki,=,81,uM,CN1c2ccccc2C(=CC1=O)CP(=O)(O)O,
,,5YPI,,,,,,,
,,,ZN:G:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:302,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:F:302,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8YF:A:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:F:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:E:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:C:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:B:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:G:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:D:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:H:303,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,CL:C:306,invalid,,,,,[Cl-],
,,5ZGE,,,,,,,
,,,OH:A:304,invalid,,,,,[OH-],
,,,OH:B:304,invalid,,,,,[OH-],
,,,ZZ7:B:302,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:A:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6LJ5,,,,,,,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,EF0:A:402,valid,ic50,=,4.9,uM,C[C@H](CS)C(=O)N1CCC(CC1)C(=O)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,5ZGR,,,,,,,
,,,ZZ7:A:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:B:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,6LJ2,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,OH:A:303,invalid,,,,,[OH-],
,,,EKX:A:305,valid,ic50,=,4.6,uM,C[C@H](CS)C(=O)N1CCc2ccccc2[C@H]1C(=O)O,
,,,EEX:A:304,valid,ic50,=,4.6,uM,C[C@H](CS)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O,
,,6MDU,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,N1G:A:303,valid,Ki,=,56,uM,c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4,
,,5YPM,,,,,,,
,,,8YL:F:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:C:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:A:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:B:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:H:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:D:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:E:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,8YL:G:303,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:F:302,Part of Protein,,,,,[Zn+2],
,,,ZN:G:302,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:G:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:F:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:302,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EYF,,,,,,,
,,,PNK:A:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C,
,,,PNK:B:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,4EYB,,,,,,,
,,,0WO:A:303,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,,0WO:B:301,valid,,,,,Cc1c(c(no1)c2ccccc2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,5ZGQ,,,,,,,
,,,ZZ7:B:304,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:A:304,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,OH:B:303,invalid,,,,,[OH-],
,,,OH:A:303,invalid,,,,,[OH-],
,,6D1F,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,P9T:A:303,valid,,,,,c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F,
,,6O3R,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,XJE:A:303,valid,,,,,Cc1cc2c(c(c1)OC)C(=CC(=O)O2)CP(=O)(O)O,
,,6LIZ,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EEO:A:303,valid,ic50,=,20.4,uM,C[C@H](CS)C(=O)N1CCCCC[C@@H]1C(=O)O,
,,6LIP,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EEL:A:303,valid,ic50,=,75,uM,C1C[C@@H](N(C1)C(=O)C(CS)CS)C(=O)O,
,,6D1A,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,TWB:A:303,valid,Ki,=,44.3,uM,Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O,
,,4EYL,,,,,,,
,,,0RV:A:301,valid,,,,,CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,0RV:B:301,valid,,,,,CC1=C(C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,6LJ7,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EFR:A:301,valid,ic50,=,27.9,uM,C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N,
,,6D1K,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,M3Q:A:303,valid,Ki,=,741.3,uM,c1cc2cccnc2c(c1)CP(=O)(O)O,
,,4EY2,,,,,,,
,,,0RM:A:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C,
,,,0RM:B:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)c2c(cccc2OC)OC)C(=O)O)C,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,6D1J,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,7SX:A:303,valid,Ki,=,56.2,uM,Cc1cc(c2c(c1)NC(=O)C=C2CP(=O)(O)O)C,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6TGD,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,N8Q:B:305,valid,,,,,c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3,
,,,N8Q:A:305,valid,,,,,c1cc(cnc1)C2=NNC(=S)N2C[C@@H]3CCCO3,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,6LJ4,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,EF9:A:303,valid,ic50,=,28.4,uM,C[C@H](CS)C(=O)N1CCC[C@@H](C1)C(=O)O,
,,6OL8,,,,,,,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:307,Part of Protein,,,,,[Na+],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,ZZ7:A:308,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:B:305,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,5YPL,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,HIW:A:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:B:303,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,6D1C,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,VKE:A:303,valid,,,,,c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O,
,,5ZGP,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,ZZ7:A:304,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,ZZ7:B:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,5ZGI,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,SIN:A:306,valid,,,,,C(CC(=O)O)C(=O)O,
,,,OH:A:303,invalid,,,,,[OH-],
,,6D1G,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,YKG:A:303,valid,Ki,=,34.2,uM,Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O,
,Family. Representative Entry is ,6UVK,,,,,,,
,,,QHY:D:301,valid,Ki,=,0.53,uM,CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O,
,,,QHY:A:301,valid,Ki,=,0.53,uM,CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O,
,,,QHY:B:301,valid,Ki,=,0.53,uM,CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O,
,,,QHY:C:301,valid,Ki,=,0.53,uM,CCOc1ccccc1N2CCN(CC2)c3ncnc(n3)N4CCC(CC4)C(=O)O,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,5QAE,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,Q4G:C:301,valid,Kd,=,240,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)F,
,,,Q4G:D:301,valid,Kd,=,240,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)F,
,,,Q4G:A:301,valid,Kd,=,240,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)F,
,,,Q4G:B:301,valid,Kd,=,240,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)F,
,,5QAW,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,TVC:D:301,valid,Kd,=,400,uM,c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O,
,,,TVC:C:301,valid,Kd,=,400,uM,c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O,
,,,TVC:A:301,valid,Kd,=,400,uM,c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O,
,,5QAJ,,,,,,,
,,,VBC:B:301,valid,Kd,=,330,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)N,
,,,VBC:C:302,valid,Kd,=,330,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)N,
,,,VBC:D:301,valid,Kd,=,330,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)N,
,,,VBC:A:301,valid,Kd,=,330,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)N,
,,,EDO EDO:D:303,invalid,,,,,,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5QB2,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,U3M:A:301,valid,Kd,=,70,uM,c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5,
,,,U3M:B:301,valid,Kd,=,70,uM,c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5QAV,,,,,,,
,,,L43:D:301,valid,Kd,=,70,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3,
,,,L43:C:301,valid,Kd,=,70,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,5QAK,,,,,,,
,,,AV4:B:301,valid,Kd,=,220,uM,CN(C)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,AV4:C:301,valid,Kd,=,220,uM,CN(C)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,AV4:A:301,valid,Kd,=,220,uM,CN(C)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,AV4:D:301,valid,Kd,=,220,uM,CN(C)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,5QAS,,,,,,,
,,,CVF:B:301,valid,Kd,=,190,uM,CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CVF:A:301,valid,Kd,=,190,uM,CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CVF:D:301,valid,Kd,=,190,uM,CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CVF:C:301,valid,Kd,=,190,uM,CC(=O)NCCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,5QAZ,,,,,,,
,,,Q2S:A:301,valid,Kd,=,400,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3,
,,,Q2S:C:301,valid,Kd,=,400,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3,
,,,Q2S:D:301,valid,Kd,=,400,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3,
,,,Q2S:B:301,valid,Kd,=,400,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3,
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,5QAP,,,,,,,
,,,AV7:C:301,valid,Kd,=,100,uM,CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O,
,,,AV7:D:301,valid,Kd,=,100,uM,CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O,
,,,AV7:B:302,valid,Kd,=,100,uM,CC(=O)Nc1cccc(c1)c2cccc(c2)C(=O)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,5QB1,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,F1C:B:301,valid,Kd,=,20,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C,
,,,F1C:D:301,valid,Kd,=,20,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3cccc(c3)NC(=O)C,
,,5QAU,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,V7V:C:301,valid,Kd,=,70,uM,c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O,
,,,V7V:D:301,valid,Kd,=,70,uM,c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,5QAC,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,U4J:D:301,valid,Kd,=,250,uM,COc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,U4J:A:301,valid,Kd,=,250,uM,COc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,U4J:C:301,valid,Kd,=,250,uM,COc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,U4J:B:301,valid,Kd,=,250,uM,COc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5DTT,,,,,,,
,,,5F5:C:301,valid,Kd,=,310,uM,c1cc(cc(c1)C(=O)O)c2nccs2,
,,,5F5:D:301,valid,Kd,=,310,uM,c1cc(cc(c1)C(=O)O)c2nccs2,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,5QAR,,,,,,,
,,,QIU:D:301,valid,Kd,=,170,uM,CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,QIU:C:301,valid,Kd,=,170,uM,CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,QIU:A:301,valid,Kd,=,170,uM,CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,QIU:B:301,valid,Kd,=,170,uM,CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAT,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,T7O:A:301,valid,Kd,=,140,uM,CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,T7O:B:301,valid,Kd,=,140,uM,CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,T7O:C:301,valid,Kd,=,140,uM,CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,T7O:D:301,valid,Kd,=,140,uM,CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O,
,,5QAD,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,WVV:A:301,valid,Kd,=,170,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)F,
,,,WVV:D:301,valid,Kd,=,170,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)F,
,,,WVV:B:301,valid,Kd,=,170,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)F,
,,,WVV:C:301,valid,Kd,=,170,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)F,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,6P9C,,,,,,,
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,4J6:A:301,invalid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,,4J6:B:301,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CD:B:306,invalid,,,,,[Cd+2],
,,,CD:A:307,invalid,,,,,[Cd+2],
,,,O6P:A:302,valid,,,,,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O,
,,,O6P:B:302,valid,,,,,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O,
,,5QA9,,,,,,,
,,,QKU:A:301,valid,Kd,=,230,uM,c1cc(cc(c1)c2cccc(c2)C(=O)O)CO,
,,,QKU:C:301,valid,Kd,=,230,uM,c1cc(cc(c1)c2cccc(c2)C(=O)O)CO,
,,,QKU:B:301,valid,Kd,=,230,uM,c1cc(cc(c1)c2cccc(c2)C(=O)O)CO,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAN,,,,,,,
,,,M8Q:B:301,valid,Kd,=,110,uM,CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,M8Q:C:301,valid,Kd,=,110,uM,CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,M8Q:A:301,valid,Kd,=,110,uM,CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,M8Q:D:302,valid,Kd,=,110,uM,CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,M8Q:D:301,valid,Kd,=,110,uM,CS(=O)(=O)NCc1cccc(c1)c2cccc(c2)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAH,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,EFX:D:301,valid,Kd,=,144,uM,COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,EFX:B:301,valid,Kd,=,144,uM,COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,EFX:A:301,valid,Kd,=,144,uM,COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,EFX:C:301,valid,Kd,=,144,uM,COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,5QAQ,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,S1C:B:301,valid,Kd,=,290,uM,CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,S1C:C:301,valid,Kd,=,290,uM,CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,S1C:D:301,valid,Kd,=,290,uM,CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,5DTK,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,5F3:C:307,valid,Kd,=,50,uM,c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3,
,,,5F3:B:301,valid,Kd,=,50,uM,c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3,
,,,5F3:A:306,valid,Kd,=,50,uM,c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3,
,,,5F3:D:301,valid,Kd,=,50,uM,c1cnccc1c2cc(cc(c2)C(=O)O)c3ccncc3,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5QB0,,,,,,,
,,,AVA:B:301,valid,Kd,=,159,uM,c1ccnc(c1)c2cccc(c2)C(=O)O,
,,,AVA:A:301,valid,Kd,=,159,uM,c1ccnc(c1)c2cccc(c2)C(=O)O,
,,,AVA:D:302,valid,Kd,=,159,uM,c1ccnc(c1)c2cccc(c2)C(=O)O,
,,,AVA:D:301,valid,Kd,=,159,uM,c1ccnc(c1)c2cccc(c2)C(=O)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5QAF,,,,,,,
,,,S1D:A:301,valid,Kd,=,312,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)F,
,,,S1D:B:301,valid,Kd,=,312,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)F,
,,,S1D:C:301,valid,Kd,=,312,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)F,
,,,S1D:D:301,valid,Kd,=,312,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)F,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,5QA4,,,,,,,
,,,TI7:A:301,valid,Kd,=,170,uM,Cc1ccccc1c2cccc(c2)C(=O)O,
,,,TI7:B:301,valid,Kd,=,170,uM,Cc1ccccc1c2cccc(c2)C(=O)O,
,,,TI7:D:301,valid,Kd,=,170,uM,Cc1ccccc1c2cccc(c2)C(=O)O,
,,,TI7:C:301,valid,Kd,=,170,uM,Cc1ccccc1c2cccc(c2)C(=O)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,5QAA,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EAJ:C:301,valid,Kd,=,123,uM,COc1ccccc1c2cccc(c2)C(=O)O,
,,,EAJ:A:301,valid,Kd,=,123,uM,COc1ccccc1c2cccc(c2)C(=O)O,
,,,EAJ:D:301,valid,Kd,=,123,uM,COc1ccccc1c2cccc(c2)C(=O)O,
,,,EAJ:B:301,valid,Kd,=,123,uM,COc1ccccc1c2cccc(c2)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAO,,,,,,,
,,,Z8R:B:301,valid,Kd,=,240,uM,CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,Z8R:A:301,valid,Kd,=,240,uM,CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,Z8R:C:301,valid,Kd,=,240,uM,CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,Z8R:D:301,valid,Kd,=,240,uM,CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,5QAB,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,XEV:A:301,valid,Kd,=,226,uM,COc1cccc(c1)c2cccc(c2)C(=O)O,
,,,XEV:D:301,valid,Kd,=,226,uM,COc1cccc(c1)c2cccc(c2)C(=O)O,
,,,XEV:B:301,valid,Kd,=,226,uM,COc1cccc(c1)c2cccc(c2)C(=O)O,
,,,CL:D:302,invalid,,,,,[Cl-],
,,5QA7,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,IQQ:A:301,valid,Kd,=,110,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)O,
,,,IQQ:B:301,valid,Kd,=,110,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)O,
,,,IQQ:C:301,valid,Kd,=,110,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)O,
,,,IQQ:D:301,valid,Kd,=,110,uM,c1cc(cc(c1)C(=O)O)c2cccc(c2)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,5QAI,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,VM7:C:301,valid,Kd,=,150,uM,CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,VM7:B:301,valid,Kd,=,150,uM,CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,VM7:A:301,valid,Kd,=,150,uM,CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,VM7:D:301,valid,Kd,=,150,uM,CS(=O)(=O)c1cccc(c1)c2cccc(c2)C(=O)O,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,5QB3,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,AVM:A:301,valid,Kd,=,49,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3,
,,,AVM:C:301,valid,Kd,=,49,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3,
,,,AVM:B:301,valid,Kd,=,49,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3,
,,,AVM:D:301,valid,Kd,=,49,uM,CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3,
,,5QA5,,,,,,,
,,,L5D:C:301,valid,Kd,=,300,uM,Cc1cccc(c1)c2cccc(c2)C(=O)O,
,,,L5D:A:301,valid,Kd,=,300,uM,Cc1cccc(c1)c2cccc(c2)C(=O)O,
,,,L5D:D:301,valid,Kd,=,300,uM,Cc1cccc(c1)c2cccc(c2)C(=O)O,
,,,L5D:B:301,valid,Kd,=,300,uM,Cc1cccc(c1)c2cccc(c2)C(=O)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5QA8,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,JSX:C:301,valid,Kd,=,170,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)O,
,,,JSX:A:301,valid,Kd,=,170,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)O,
,,,JSX:D:301,valid,Kd,=,170,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)O,
,,5QAL,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,TVZ:B:301,valid,Kd,=,350,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N,
,,,TVZ:D:301,valid,Kd,=,350,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N,
,,,TVZ:A:301,valid,Kd,=,350,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N,
,,,TVZ:C:301,valid,Kd,=,350,uM,c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N,
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5DVA,,,,,,,
,,,5FL:C:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2ccncc2,
,,,5FL:A:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2ccncc2,
,,,5FL:D:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2ccncc2,
,,,5FL:B:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2ccncc2,
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,6PK0,,,,,,,
,,,HIW:A:301,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:A:302,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:C:301,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:D:301,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,HIW:B:301,valid,,,,,[H]/N=CNCCS[C@H]1C[C@@H](N=C1C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,5QAY,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,X6P:C:301,valid,Kd,=,590,uM,Cn1cccc1c2cccc(c2)C(=O)O,
,,,X6P:D:301,valid,Kd,=,590,uM,Cn1cccc1c2cccc(c2)C(=O)O,
,,,X6P:A:301,valid,Kd,=,590,uM,Cn1cccc1c2cccc(c2)C(=O)O,
,,,X6P:B:301,valid,Kd,=,590,uM,Cn1cccc1c2cccc(c2)C(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,6P99,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CD:A:507,invalid,,,,,[Cd+2],
,,,CD:A:508,invalid,,,,,[Cd+2],
,,,CD:A:506,invalid,,,,,[Cd+2],
,,,1RG:A:501,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,5QA6,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,AUV:D:301,valid,Kd,=,175,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)O,
,,,AUV:C:301,valid,Kd,=,175,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)O,
,,,AUV:A:301,valid,Kd,=,175,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)O,
,,,AUV:B:301,valid,Kd,=,175,uM,c1ccc(c(c1)c2cccc(c2)C(=O)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAM,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,GA6:C:302,valid,Kd,=,100,uM,CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,GA6:D:304,valid,Kd,=,100,uM,CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,GA6:B:302,valid,Kd,=,100,uM,CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,GA6:A:301,valid,Kd,=,100,uM,CS(=O)(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,5DTS,,,,,,,
,,,5F8:D:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2cccnc2,
,,,5F8:A:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2cccnc2,
,,,5F8:C:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2cccnc2,
,,,5F8:B:301,valid,Kd,=,280,uM,c1cc(cc(c1)C(=O)O)c2cccnc2,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,5QAX,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,Q92:B:301,valid,Kd,=,160,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3,
,,,Q92:D:301,valid,Kd,=,160,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3,
,,,Q92:A:301,valid,Kd,=,160,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3,
,,,Q92:C:301,valid,Kd,=,160,uM,c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,5QAG,,,,,,,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,Q2R:A:301,valid,Kd,=,200,uM,COC(=O)c1ccccc1c2cccc(c2)C(=O)O,
,,,Q2R:B:301,valid,Kd,=,200,uM,COC(=O)c1ccccc1c2cccc(c2)C(=O)O,
,,,Q2R:D:301,valid,Kd,=,200,uM,COC(=O)c1ccccc1c2cccc(c2)C(=O)O,
,,,Q2R:C:301,valid,Kd,=,200,uM,COC(=O)c1ccccc1c2cccc(c2)C(=O)O,
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3IOG,,,,,,,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,SDF:A:311,valid,Ki,=,3,uM,c1cc(c(cc1Cl)Cl)C(P(=O)(O)O)S,
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,1X8I,,,,,,,
,,,BMH:A:2,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H](C)O)C(=O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3IOF,,,,,,,
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,IFS:A:308,valid,Ki,=,6,uM,CC(C)OP(=O)(c1ccccc1CS)OC(C)C,
,,,SER:A:307,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,SO4:A:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,2GKL,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,PD2:A:2,valid,Ki,=,4.5,uM,c1cnc(cc1C(=O)O)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,2QDS,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,MCO:A:501,valid,Ki,=,72,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6D19,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,YKG:A:303,valid,Ki,=,0.246,uM,Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O,
,,,YKG:A:302,valid,Ki,=,0.246,uM,Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O,
,,,YKG:A:301,valid,Ki,=,0.246,uM,Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O,
,,6XJ8,,,,,,,
,,,8YF:A:301,valid,Kd,=,220,uM,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,6MEY,,,,,,,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,O5E:A:302,valid,Ki,=,479,uM,c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3,
,,,O5E:A:301,valid,Ki,=,479,uM,c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3,
,,,O5E:A:303,valid,Ki,=,479,uM,c1ccc(cc1)[C@H](C(=O)Nc2[nH]nnn2)Nc3ccccc3,
,,6D15,,,,,,,
,,,TWB:A:301,valid,Ki,=,32.9,uM,Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O,
,,,TWB:A:302,valid,Ki,=,32.9,uM,Cc1cc2c(cc1C)OC(=O)C=C2CP(=O)(O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6D18,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GTV:A:303,valid,Ki,=,1.4,uM,Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C,
,,,GTV:A:301,valid,Ki,=,1.4,uM,Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C,
,,,GTV:A:302,valid,Ki,=,1.4,uM,Cc1cc(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C,
,,6D17,,,,,,,
,,,VKE:A:301,valid,Ki,=,15.3,uM,c1c2c(cc3c1OCO3)OC(=O)C=C2CP(=O)(O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6XD7,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,ZZ7:A:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C,
,,6V1J,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RM9:A:301,invalid,,,,,B1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)O,
,,,QNA:A:302,valid,,,,,[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6M7I,,,,,,,
,,,J84:A:303,valid,Ki,=,386,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,J84:A:301,valid,Ki,=,386,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,J84:A:304,valid,Ki,=,386,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,J84:A:302,valid,Ki,=,386,uM,c1cc(c(cc1Cl)Cl)n2c(c(cn2)c3[nH]nnn3)N,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,5UJ3,,,,,,,
,,,CE4:A:302,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:A:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6D16,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,FUJ:A:301,valid,Ki,=,8.4,uM,COc1ccc2c(c1)OC(=O)C=C2CP(=O)(O)O,
,,6MLL,,,,,,,
,,,N1G:A:301,valid,Ki,=,239,uM,c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,5UJ4,,,,,,,
,,,SFR:A:301,valid,,,,,C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6MNP,,,,,,,
,,,1CE:A:301,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:A:302,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:A:303,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5FQC,,,,,,,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:B:400,invalid,,,,,C(=O)O,
,,,FMT:A:400,invalid,,,,,C(=O)O,
,,,FMT:B:401,invalid,,,,,C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,OK3:B:600,valid,ic50,=,0.003,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O,
,,,OK3:A:600,valid,ic50,=,0.003,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,5N4T,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,BEZ:A:507,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:306,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,R59:A:504,valid,ic50,=,1.06,uM,C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O,
,,,R59:B:304,valid,ic50,=,1.06,uM,C[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O,
,,6DD0,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,P9T:B:403,valid,Ki,=,3.3,uM,c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F,
,,,P9T:A:403,valid,Ki,=,3.3,uM,c1c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F,
,,5Y6D,,,,,,,
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,8PL:B:303,valid,ic50,=,54.8,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O,
,,,8PL:D:303,valid,ic50,=,54.8,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O,
,,,8PL:C:303,valid,ic50,=,54.8,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O,
,,,8PL:A:304,valid,ic50,=,54.8,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)F)C(=O)O,
,,6RPN,,,,,,,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,MG:B:509,invalid,,,,,[Mg+2],
,,,MG:B:508,Part of Protein,,,,,[Mg+2],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,KDZ:A:301,valid,ic50,=,0.2,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O,
,,,KDZ:B:501,valid,ic50,=,0.2,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O,
,,,KL8:B:502,valid,ic50,=,0.2,uM,[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O,
,,,KL8:A:302,valid,ic50,=,0.2,uM,[B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccccc3)(O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,6TM9,,,,,,,
,,,OH:A:404,invalid,,,,,[OH-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,9NW:A:401,valid,ic50,=,0.23,uM,c1cc(c(cc1Cl)S(=O)(=O)NCc2c(n[nH]n2)CNC3CCCCC3)Cl,
,,5NI0,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:E:402,Part of Protein,,,,,[Zn+2],
,,,ZN:E:401,Part of Protein,,,,,[Zn+2],
,,,8XW:A:403,valid,ic50,=,1.8,uM,CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O,
,,,8XW:E:403,valid,ic50,=,1.8,uM,CC(=O)SC[C@@H](CCCCc1ccccc1)P(=O)(O)O,
,,5NHZ,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:B:408,invalid,,,,,[Mg+2],
,,,8XZ:B:407,valid,ic50,=,4.7,uM,CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O,
,,,8XZ:A:403,valid,ic50,=,4.7,uM,CC(=O)SC[C@@H](CCCc1ccccc1)P(=O)(O)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6JN6,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:B:307,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,BY0:B:304,valid,Ki,=,0.07,uM,B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O,
,,,BY0:A:304,valid,Ki,=,0.07,uM,B([C@@H](Cc1coc2c1cccc2)NC(=O)[C@H](C)CS)(O)O,
,,2WHG,,,,,,,
,,,FLC:A:1264,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1264,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1263,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1262,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1263,Part of Protein,,,,,[Zn+2],
,,5LCA,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,B06:A:503,valid,ic50,=,32.8,uM,c1cc(cc(c1)N2Cc3cccc(c3C2=O)C(=O)O)C(F)(F)F,
,,6EW3,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,DMS:B:508,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,CL:B:509,invalid,,,,,[Cl-],
,,,S3C:A:506,valid,ic50,=,0.04,uM,c1cc(c(c(c1Cl)/C=C(/C(=O)O)S)Cl)Cl,
,,,S3C:B:506,valid,ic50,=,0.04,uM,c1cc(c(c(c1Cl)/C=C(/C(=O)O)S)Cl)Cl,
,,6O5T,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:B:509,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:507,invalid,,,,,CC(=O)[O-],
,,,L8J:B:503,valid,Ki,=,0.316,uM,c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br,
,,,L8J:A:503,valid,Ki,=,0.316,uM,c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br,
,,5LSC,,,,,,,
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,HIS THR ASN ARG:B:293,invalid,,,,,,
,,,HIS THR ASN ARG:A:293,invalid,,,,,,
,,,SER:B:297,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:A:297,invalid,,,,,C([C@@H](C(=O)O)N)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,VAL:B:298,invalid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:A:298,invalid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,752:A:404,valid,ic50,=,20,uM,c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O,
,,,752:B:404,valid,ic50,=,20,uM,c1ccc(c(c1)c2[nH]c(nn2)SCC(=O)Nc3nc4ccccc4s3)C(=O)O,
,,6HF5,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,G1N:A:306,valid,ic50,=,6.7,uM,c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,5ACW,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,OH:A:1302,invalid,,,,,[OH-],
,,,OH:B:1302,invalid,,,,,[OH-],
,,,CL:B:1301,invalid,,,,,[Cl-],
,,,CL:B:1300,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,ASN ARG SER:B:295,invalid,,,,,,
,,,ASN ARG SER:A:295,invalid,,,,,,
,,,RHU:B:1298,valid,Kd,=,145,uM,Cn1c(nnc1S)C(F)(F)F,
,,,RHU:A:1298,valid,Kd,=,145,uM,Cn1c(nnc1S)C(F)(F)F,
,,,RHU:A:1299,invalid,Kd,=,145,uM,Cn1c(nnc1S)C(F)(F)F,
,,,RHU:B:1299,invalid,Kd,=,145,uM,Cn1c(nnc1S)C(F)(F)F,
,,5LM6,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,H32:A:504,valid,ic50,=,7.7,uM,c1cc2c(c(c1)C(=O)O)C(=O)N(C2)c3ccc(c(c3)F)O,
,,6TGI,,,,,,,
,,,N8Z:B:508,valid,Ki,=,41,uM,CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl,
,,,N8Z:A:508,valid,Ki,=,41,uM,CCn1c(nnc1S)c2c(c(n(n2)C)C)Cl,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,5Y6E,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:B:306,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,8PO:A:304,valid,ic50,=,13.7,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O,
,,,8PO:B:304,valid,ic50,=,13.7,nM,C[C@H](CS)C(=O)N[C@H](c1ccc(cc1)O)C(=O)O,
,,5MXR,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,JTY:A:306,valid,ic50,=,6.2,uM,c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O,
,,,JTY:A:305,valid,ic50,=,6.2,uM,c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O,
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,6SP7,,,,,,,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:E:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:E:301,Part of Protein,,,,,[Zn+2],
,,,ZN:E:303,Part of Protein,,,,,[Zn+2],
,,,ASN:A:295,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:E:295,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)N,
,,,ACT:E:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:E:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,K9B:E:306,valid,ic50,=,0.026,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O,
,,,K9B:A:306,valid,ic50,=,0.026,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)(O)O,
,,5LCH,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,6TU:A:503,valid,ic50,=,20.3,uM,COc1cccc(c1)N2[C@H](c3cccc(c3C2=O)C(=O)O)CC=C,
,,5MXQ,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,U8K:A:304,valid,ic50,=,1.9,uM,c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O,
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,6J8R,,,,,,,
,,,GOL:A:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:312,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:A:310,invalid,,,,,C(=O)O,
,,,FMT:A:309,invalid,,,,,C(=O)O,
,,,FMT:A:308,invalid,,,,,C(=O)O,
,,,BHU:A:303,valid,Ki,=,0.76,uM,B(CNC(=O)[C@H](C)CS)(O)O,
,,2YZ3,,,,,,,
,,,M5P:A:401,valid,Ki,=,220,nM,c1ccc(cc1)CCC[C@H](CS)C(=O)O,
,,,M5P:B:402,valid,Ki,=,220,nM,c1ccc(cc1)CCC[C@H](CS)C(=O)O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:304,Part of Protein,,,,,[Zn+2],
,,5MM9,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,8SH:A:404,valid,ic50,=,0.38,uM,CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC,
,,,8SH:B:405,valid,ic50,=,0.38,uM,CCOP(=O)([C@H](CCCc1ccccc1)CS)OCC,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,6YRP,,,,,,,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,PJB:A:404,valid,Kd,=,389,nM,COc1ccc(c(c1)C2=NNC(=S)N2NCc3ccccc3C(=O)O)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,6DD1,,,,,,,
,,,M3Q:B:404,valid,Ki,=,22.3,uM,c1cc2cccnc2c(c1)CP(=O)(O)O,
,,,M3Q:B:403,valid,Ki,=,22.3,uM,c1cc2cccnc2c(c1)CP(=O)(O)O,
,,,M3Q:A:403,valid,Ki,=,22.3,uM,c1cc2cccnc2c(c1)CP(=O)(O)O,
,,,M3Q:A:404,valid,Ki,=,22.3,uM,c1cc2cccnc2c(c1)CP(=O)(O)O,
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,6ZGM,,,,,,,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,QKK:A:406,valid,,,,,[H]/N=C(N)/NNC(=O)Nc1c(cc(cc1F)S(=O)(=O)Nc2c(ncs2)C(=O)O)F,
,,5ACX,,,,,,,
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,CL:B:1301,invalid,,,,,[Cl-],
,,,CL:B:1300,invalid,,,,,[Cl-],
,,,CL:A:1300,invalid,,,,,[Cl-],
,,,CL:A:1301,invalid,,,,,[Cl-],
,,,OH:B:1299,invalid,,,,,[OH-],
,,,OH:A:1299,invalid,,,,,[OH-],
,,,ASN ARG SER:B:295,invalid,,,,,,
,,,ASN ARG SER:A:295,invalid,,,,,,
,,,WL3:A:1298,valid,Kd,=,9,uM,c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O,
,,,WL3:B:1298,valid,Kd,=,9,uM,c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)O,
,,5LCF,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,6TJ:A:504,valid,ic50,=,17.8,uM,c1ccc(cc1)N2Cc3cccc(c3C2=O)C(=O)O,
,,,MG:A:503,invalid,,,,,[Mg+2],
,,5N4S,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,R38:A:504,valid,ic50,=,0.055,uM,C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O,
,,,R38:B:504,valid,ic50,=,0.055,uM,C[C@H](CS)C(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,6V1P,,,,,,,
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ARG:A:296,invalid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:B:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:405,invalid,,,,,CC(=O)[O-],
,,,QNA:A:401,valid,,,,,[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O,
,,,QNA:B:401,valid,,,,,[B-]1([C@@H]2C[C@@H]2c3ccc(c(c3O1)C(=O)O)F)(O)O,
,,,ARG SER VAL VAL GLU:B:296,invalid,,,,,,
,Family. Representative Entry is ,4TYT,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S3C:A:303,valid,ic50,=,0.02,uM,c1cc(c(c(c1Cl)/C=C(/C(=O)O)S)Cl)Cl,
,,6EUM,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BY5:A:304,valid,ic50,=,0.3,uM,c1cc(c(c(c1F)/C=C(/C(=O)O)S)F)F,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6EWE,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,C0W:A:304,valid,ic50,=,3.1,uM,c1ccc2c(c1)c(cs2)/C=C(/C(=O)O)S,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,6F2N,,,,,,,
,,,CF8:A:304,valid,ic50,=,0.2,uM,c1ccc2cc(ccc2c1)Cc3ccccc3/C=C(/C(=O)O)S,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,1MQO,,,,,,,
,,,CD:A:1,invalid,,,,,[Cd+2],
,,,CD:A:2,invalid,,,,,[Cd+2],
,,,CD:A:3,invalid,,,,,[Cd+2],
,,,CIT:A:300,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5FQB,,,,,,,
,,,ZN:A:295,Part of Protein,,,,,[Zn+2],
,,,ZN:A:296,Part of Protein,,,,,[Zn+2],
,,,SO4:A:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:299,invalid,,,,,C(C(CO)O)O,
,,,OK3:A:297,valid,ic50,=,0.3,uM,[B-]1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)c3ccc(cc3)CN)(O)O,
,Family. Representative Entry is ,3BFF,,,,,,,
,,,FPM:C:1,valid,,,,,C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O,
,,,SCN:A:2,invalid,,,,,C(#N)[S-],
,,,SCN:B:1,invalid,,,,,C(#N)[S-],
,,,SCN:B:3,invalid,,,,,C(#N)[S-],
,,,SCN:B:4,invalid,,,,,C(#N)[S-],
,,,SCN:C:5,invalid,,,,,C(#N)[S-],
,,,SCN:D:6,invalid,,,,,C(#N)[S-],
,,,SFR:A:301,invalid,,,,,C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O,
,,,SFR:B:302,invalid,,,,,C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O,
,,,SFR:C:303,invalid,,,,,C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O,
,,,SFR:D:304,invalid,,,,,C[C@H]([C@H]([C@@H]1NC(=C(S1)[C@H]2CCCO2)C(=O)O)C(=O)O)O,
,Family. Representative Entry is ,5ZA2,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,NXL:B:401,valid,Kd,=,1700,nM,C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N,
,,,NXL:A:401,invalid,Kd,=,1700,nM,C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N,
,,,EPE:A:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,6OOE,,,,,,,
,,,R6Z:B:302,valid,Kd,=,0.292,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:A:302,valid,Kd,=,0.292,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:A:301,valid,Kd,=,0.292,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:B:301,valid,Kd,=,0.292,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,Family. Representative Entry is ,6PQ8,,,,,,,
,,,ACT:A:312,invalid,,,,,CC(=O)[O-],
,,,ACT:A:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:310,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:A:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:309,invalid,,,,,CC(=O)[O-],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,J01:A:302,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,6NVU,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,J01:A:311,invalid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,J01:A:310,valid,,,,,C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,L4A:A:308,invalid,,,,,C(CO)c1c(nc(o1)CCO)C(=O)O,
,,,NA:A:309,Part of Protein,,,,,[Na+],
,,,TEM:A:305,invalid,,,,,C(C=O)C(CNC=CC=O)O,
,Family. Representative Entry is ,3NY4,,,,,,,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SMX:A:308,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O,
,,,SMX:A:309,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O,
,,,SMX:A:310,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O,
,,,SMX:A:311,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O,
,,,SMX:A:312,valid,,,,,Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(c4ccccc4)O)SC2)C(=O)O,
,,6B68,,,,,,,
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,9F2:A:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:D:400,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:B:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:C:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,FZS:B:302,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,6B6F,,,,,,,
,,,9F2:A:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,6B69,,,,,,,
,,,9F2:A:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:D:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:B:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:C:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CUG:B:302,invalid,,,,,CO/N=C(c1csc(n1)N)/C(=O)N[C@H]([C@@H]2NC(=C(CS2)CO)C(=O)O)C(=O)O,
,,,FZS:D:302,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,6B6A,,,,,,,
,,,9F2:A:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:D:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:B:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,9F2:C:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FZS:B:302,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,,FZS:D:302,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,4QB8,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1TE:A:405,valid,,,,,C[C@@H]1[C@@H]2[C@H](C(=O)N2[C@H]([C@@H]1SC3CN(C3)c4nccs4)C(=O)O)[C@@H](C)O,
,,6B6C,,,,,,,
,,,9F2:A:301,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,6B6D,,,,,,,
,,,9F2:A:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,FZS:A:301,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,6B6E,,,,,,,
,,,9F2:A:302,valid,,,,,CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C([C@@H](C3=O)NC(=O)C(=NOC)c4csc(n4)N)SC2)C(=O)O,
,,,FZS:A:301,invalid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H](CO)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,Family. Representative Entry is ,6BU3,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3GK:A:301,valid,Ki,=,0.28,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:301,valid,Ki,=,0.28,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:302,valid,Ki,=,0.28,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:A:302,valid,Ki,=,0.28,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,6CYU,,,,,,,
,,,CE4:A:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,5TWE,,,,,,,
,,,CAZ:A:301,valid,,,,,CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,4XXR,,,,,,,
,,,JSD:A:302,valid,,,,,CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,,JSD:B:302,valid,,,,,CC1([C@@H](N[C@H](S1)CNC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,,JSC:B:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,,JSC:A:305,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,,JSC:A:303,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:A:301,Part of Protein,,,,,[K+],
,,,JSE:A:304,valid,,,,,CC1([C@@H](N[C@@H](S1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[C]4[Ru]2567891([C]4[C]5[C]63)[C]2[C]7[C]8[C]9[C]12)C(=O)O)C,
,,6MIA,,,,,,,
,,,1CE:B:301,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:A:301,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:B:302,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:A:303,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:A:302,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:B:303,valid,,,,,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,3G31,,,,,,,
,,,DMS:A:10,invalid,,,,,CS(=O)C,
,,,DMS:A:9,invalid,,,,,CS(=O)C,
,,,DMS:B:8,invalid,,,,,CS(=O)C,
,,,GF1:A:1,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:A:2,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:A:4,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:B:3,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,GF1:B:5,valid,Ki,=,1.3,mM,C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O,
,,,PO4:A:6,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:7,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3G34,,,,,,,
,,,1CE:A:1,valid,Ki,=,1.1,mM,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:B:2,valid,Ki,=,1.1,mM,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:B:3,valid,Ki,=,1.1,mM,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,1CE:B:4,valid,Ki,=,1.1,mM,C1CCc2c(c3c(s2)N=CN(C3=O)Cc4[nH]nnn4)C1,
,,,DMS:A:9,invalid,,,,,CS(=O)C,
,,,DMS:B:7,invalid,,,,,CS(=O)C,
,,,DMS:B:8,invalid,,,,,CS(=O)C,
,,,PO4:A:6,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3HLW,,,,,,,
,,,CE3:A:301,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)O,
,,,CE3:A:303,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)O,
,,,CE3:B:302,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)O,
,,,CE3:B:304,valid,,,,,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)O,
,,3G30,,,,,,,
,,,G30:A:1,valid,Ki,=,3.1,mM,c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F,
,,,G30:A:2,valid,Ki,=,3.1,mM,c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F,
,,,G30:A:3,valid,Ki,=,3.1,mM,c1cc(c(cc1F)NC(=O)[C@@H]2C[C@@H]2C(=O)O)F,
,,6CYQ,,,,,,,
,,,CE4:D:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:A:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:E:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:B:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:H:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:G:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:F:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,CE4:C:301,valid,,,,,CO/N=C(/c1csc(n1)N)C(=O)N[C@@H]([C@@H]2N=C(C(=C)CS2)C(=O)O)C(=O)O,
,,,GOL:F:302,invalid,,,,,C(C(CO)O)O,
,,3HVF,,,,,,,
,,,PNK:A:301,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C,
,,,PNK:B:302,valid,,,,,CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)Cc2ccccc2)C(=O)O)C,
,,3G32,,,,,,,
,,,3G3:A:1,valid,Ki,=,0.194,mM,c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3,
,,,3G3:B:2,valid,Ki,=,0.194,mM,c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3,
,,,3G3:B:3,valid,Ki,=,0.194,mM,c1ccc2c(c1)C(=O)N(C2=O)CCc3[nH]nnn3,
,,,DMS:A:10,invalid,,,,,CS(=O)C,
,,,DMS:A:9,invalid,,,,,CS(=O)C,
,,,DMS:B:5,invalid,,,,,CS(=O)C,
,,,DMS:B:6,invalid,,,,,CS(=O)C,
,,,DMS:B:7,invalid,,,,,CS(=O)C,
,,,DMS:B:8,invalid,,,,,CS(=O)C,
,,,PO4:B:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3G2Z,,,,,,,
,,,DMS:A:3,invalid,,,,,CS(=O)C,
,,,DMS:A:6,invalid,,,,,CS(=O)C,
,,,DMS:A:9,invalid,,,,,CS(=O)C,
,,,DMS:B:4,invalid,,,,,CS(=O)C,
,,,DMS:B:5,invalid,,,,,CS(=O)C,
,,,DMS:B:7,invalid,,,,,CS(=O)C,
,,,DMS:B:8,invalid,,,,,CS(=O)C,
,,,GZ2:A:1,valid,Ki,=,4.4,mM,C1CC(=CC(=O)C1)Nc2[nH]nnn2,
,,,GZ2:B:2,valid,Ki,=,4.4,mM,C1CC(=CC(=O)C1)Nc2[nH]nnn2,
,,3G35,,,,,,,
,,,DMS:B:7,invalid,,,,,CS(=O)C,
,,,DMS:B:8,invalid,,,,,CS(=O)C,
,,,F13:A:1,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,,,F13:A:3,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,,,F13:B:2,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,,,F13:B:4,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,,,F13:B:5,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,,,F13:B:6,valid,Ki,=,0.021,mM,c1cc(cc(c1)NC(=O)c2cccc(c2)F)c3[nH]nnn3,
,Family. Representative Entry is ,5EW0,,,,,,,
,,,3C7:B:302,valid,Ki,=,0.26,uM,C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O,
,,,3C7:A:302,valid,Ki,=,0.26,uM,C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6V7H,,,,,,,
,,,WXM:B:302,valid,,,,,[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O,
,,,WXM:A:302,valid,,,,,[B-]1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)(O)O,
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4D6:A:301,invalid,,,,,B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O,
,,,4D6:B:301,invalid,,,,,B1([C@H](CC[C@H](O1)CC(=O)O)NC(=O)Cc2cccs2)O,
,,,K:A:304,Part of Protein,,,,,[K+],
,,,K:B:305,invalid,,,,,[K+],
,Family. Representative Entry is ,5FQK,,,,,,,
,,,6NT:A:301,valid,Kd,=,15.8,uM,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,5FQJ,,,,,,,
,,,6NT:A:1295,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,6TY6,,,,,,,
,,,GOL:B:1407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,FMT:B:1412,invalid,,,,,C(=O)O,
,,,FMT:B:1405,invalid,,,,,C(=O)O,
,,,FMT:A:908,invalid,,,,,C(=O)O,
,,,FMT:C:704,invalid,,,,,C(=O)O,
,,,FMT:B:1406,invalid,,,,,C(=O)O,
,,,FMT:B:1401,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:B:1403,invalid,,,,,C(=O)O,
,,,FMT:B:1404,invalid,,,,,C(=O)O,
,,,FMT:C:702,invalid,,,,,C(=O)O,
,,,FMT:C:705,invalid,,,,,C(=O)O,
,,,FMT:B:1410,invalid,,,,,C(=O)O,
,,,FMT:C:703,invalid,,,,,C(=O)O,
,,,FMT:B:1409,invalid,,,,,C(=O)O,
,,,FMT:B:1411,invalid,,,,,C(=O)O,
,,,FMT:A:903,invalid,,,,,C(=O)O,
,,,FMT:A:902,invalid,,,,,C(=O)O,
,,,ACT:A:905,invalid,,,,,CC(=O)[O-],
,,,ACT:A:909,invalid,,,,,CC(=O)[O-],
,,,ACT:C:706,invalid,,,,,CC(=O)[O-],
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1408,invalid,,,,,CC(=O)[O-],
,,,NA:A:910,Part of Protein,,,,,[Na+],
,,,6NT:A:911,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:C:707,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,,,6NT:B:1413,valid,,,,,c1cc2c(cc1[N+](=O)[O-])[nH]nn2,
,Family. Representative Entry is ,6RZR,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,8YF:A:311,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,,8YF:B:307,valid,,,,,[H]/N=C/NCCSC1=C(N[C@H](C1)[C@@H]([C@@H](C)O)C(=O)O)C(=O)O,
,,6R73,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,LMP:B:301,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,,LMP:A:301,valid,,,,,C[C@H]1[C@@H](C(=N[C@H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)N(C)C,
,,6RZS,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,LHT:A:301,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,,,LHT:B:301,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O,
,Family. Representative Entry is ,6OOJ,,,,,,,
,,,J1X:A:302,valid,Kd,=,19.4,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:B:302,valid,Kd,=,19.4,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:A:301,valid,Kd,=,19.4,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:B:301,valid,Kd,=,19.4,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,Family. Representative Entry is ,5NDB,,,,,,,
,,,CL:A:411,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,8TW:A:412,valid,,,,,C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O,
,,,8TW:B:409,valid,,,,,C1=S[C@H]2[C@@H]([C@@H]1C(=O)O)C(C2(Cl)Cl)(O)O,
,,,TRS:B:411,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,4DE1,,,,,,,
,,,0J6:A:301,valid,Ki,=,1.1,uM,c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4,
,,,0J6:B:301,valid,Ki,=,1.1,uM,c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4,
,,,0J6:B:303,valid,Ki,=,1.1,uM,c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6OOH,,,,,,,
,,,J1X:A:302,valid,Kd,=,2.19,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:B:302,valid,Kd,=,2.19,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:A:301,valid,Kd,=,2.19,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,,,J1X:B:301,valid,Kd,=,2.19,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)n3cccn3)C(F)(F)F)c4[nH]nnn4,
,Family. Representative Entry is ,6PWL,,,,,,,
,,,LP0:A:401,invalid,,,,,B(CNC(=O)/C(=NOC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O,
,,,LP0:D:401,invalid,,,,,B(CNC(=O)/C(=NOC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O,
,,,LP0:B:401,invalid,,,,,B(CNC(=O)/C(=NOC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O,
,,,LP0:C:401,invalid,,,,,B(CNC(=O)/C(=NOC(C)(C)C(=O)O)/c1csc(n1)N)(O)OP(=O)(O)O,
,,,GLY:C:402,valid,,,,,C(C(=O)O)N,
,,6PWM,,,,,,,
,,,CAZ:D:401,invalid,,,,,CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,,CAZ:C:401,invalid,,,,,CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,,CAZ:A:401,invalid,,,,,CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,,CAZ:B:401,invalid,,,,,CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)C(=O)N[C@H](C=O)[C@@H]2N=C(C(=C)CS2)C(=O)O,
,,,GLY:A:402,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,1JJE,,,,,,,
,,,ACT:A:260,invalid,,,,,CC(=O)[O-],
,,,ACT:B:260,invalid,,,,,CC(=O)[O-],
,,,BYS:A:250,valid,ic50,=,0.0037,uM,c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O,
,,,BYS:B:250,valid,ic50,=,0.0037,uM,c1ccc(cc1)C[C@@H]([C@H](Cc2ccc3c(c2)OCO3)C(=O)O)C(=O)O,
,,,ZN:A:251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:252,Part of Protein,,,,,[Zn+2],
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:251,Part of Protein,,,,,[Zn+2],
,,,ZN:B:252,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,1JJT,,,,,,,
,,,ACT:A:260,invalid,,,,,CC(=O)[O-],
,,,ACT:B:260,invalid,,,,,CC(=O)[O-],
,,,BDS:A:250,valid,ic50,=,0.009,uM,c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2,
,,,BDS:B:250,valid,ic50,=,0.009,uM,c1cc2c(cc1C[C@@H]([C@H](Cc3ccc4c(c3)OCO4)C(=O)O)C(=O)O)OCO2,
,,,ZN:A:251,Part of Protein,,,,,[Zn+2],
,,,ZN:A:252,Part of Protein,,,,,[Zn+2],
,,,ZN:A:261,Part of Protein,,,,,[Zn+2],
,,,ZN:B:251,Part of Protein,,,,,[Zn+2],
,,,ZN:B:252,Part of Protein,,,,,[Zn+2],
,,,ZN:B:261,Part of Protein,,,,,[Zn+2],
,,5EV8,,,,,,,
,,,3R9:A:304,valid,,,,,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,,3R9:A:303,valid,,,,,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,,3R9:B:303,valid,,,,,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,,3R9:D:303,valid,,,,,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,,3R9:C:303,valid,,,,,C1[C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,NA:C:306,invalid,,,,,[Na+],
,,,DMS:B:307,invalid,,,,,CS(=O)C,
,,,DMS:C:305,invalid,,,,,CS(=O)C,
,,3WXC,,,,,,,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,C93:A:303,valid,,,,,c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O,
,,,C93:B:303,valid,,,,,c1cc(c(c(c1)N2CCC(CC2)O)C(=O)O)C(=O)O,
,,2DOO,,,,,,,
,,,C4H:A:601,valid,Kd,=,67,nM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS,
,,,C4H:B:602,valid,Kd,=,67,nM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNC(=O)CCS,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,4F6Z,,,,,,,
,,,FLC:A:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,1DD6,,,,,,,
,,,MCI:A:550,valid,,,,,c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O,
,,,MCI:B:551,valid,,,,,c1ccc(cc1)CC[C@H](CS)C(=O)N=C(c2ccc(s2)Cn3cnnn3)C(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,5EWA,,,,,,,
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,9BZ:B:303,valid,Ki,=,15,uM,CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C,
,,,9BZ:A:303,valid,Ki,=,15,uM,CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C,
,,,9BZ:C:304,valid,Ki,=,15,uM,CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C,
,,,9BZ:D:303,valid,Ki,=,15,uM,CC1([C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O)C,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,4UAM,,,,,,,
,,,FLC:C:303,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:303,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:303,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:303,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,CSD:D:158,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,CSD:B:158,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,CSD:C:158,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,CSD:A:158,invalid,,,,,C([C@@H](C(=O)O)N)[S@@](=O)O,
,,,FE:D:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:C:301,Part of Protein,,,,,[Fe+3],
,,,ZN:D:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5NE2,,,,,,,
,,,DGL:A:301,valid,Ki,=,84,pM,C(CC(=O)O)[C@H](C(=O)O)N,
,,,DGL:B:301,valid,Ki,=,84,pM,C(CC(=O)O)[C@H](C(=O)O)N,
,,6QW7,,,,,,,
,,,MK7:B:301,invalid,ic50,=,470,nM,C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)NC2CCNCC2,
,,,DSN:A:301,valid,,,,,C([C@H](C(=O)O)N)O,
,Family. Representative Entry is ,4DDY,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:B:309,invalid,,,,,CS(=O)C,
,,,DN6:A:301,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:A:302,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:A:303,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:A:304,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:301,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:302,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:303,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:304,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:305,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:306,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:307,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,,,DN6:B:308,valid,Ki,=,2.4,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3,
,Family. Representative Entry is ,6OOF,,,,,,,
,,,R6Z:B:302,valid,Kd,=,11.9,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:A:302,valid,Kd,=,11.9,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:A:301,valid,Kd,=,11.9,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,,,R6Z:B:301,valid,Kd,=,11.9,uM,c1cc(cc(c1)NC(=O)c2cc(cc(c2)C(F)(F)F)c3[nH]nnn3)c4[nH]nnn4,
,Family. Representative Entry is ,4EXS,,,,,,,
,,,X8Z:A:301,valid,Ki,=,39,uM,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,,X8Z:B:301,valid,Ki,=,39,uM,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4JF5,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,4K0W,,,,,,,
,,,BCT:A:308,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:309,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:307,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:306,invalid,,,,,C(=O)(O)[O-],
,,,NA:A:314,invalid,,,,,[Na+],
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:A:312,invalid,,,,,[Na+],
,,,NA:A:310,invalid,,,,,[Na+],
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,CIT:A:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6N6T,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2ZD8,,,,,,,
,,,MA4:A:301,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MA4:A:302,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MER:A:401,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,1VM1,,,,,,,
,,,AKR:A:503,Part of Protein,,,,,C=CC(=O)O,
,,,MA4:A:300,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MA4:A:301,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,TAZ:A:504,valid,,,,,C[C@@]1([C@@H](N2[C@@H](S1(=O)=O)CC2=O)C(=O)O)Cn3ccnn3,
,,,TBE:A:501,Part of Protein,,,,,C[C@](Cn1ccnn1)([C@H](C(=O)O)NC=C/C=O)S(=O)=O,
,,3MKE,,,,,,,
,,,CB4:A:1,Part of Protein,,,,,B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(O)O,
,,,CZ6:A:293,valid,,,,,B1(O[C@H](CC(O1)(C)C)C)CNC(=O)/C(=NOC(C)(C)C(=O)O)/c2csc(n2)N,
,,,MA4:A:400,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MA4:A:401,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,4FH2,,,,,,,
,,,0RN:A:303,valid,,,,,CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)O)C,
,,,MA4:A:301,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MA4:A:302,invalid,,,,,C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,4DE3,,,,,,,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,,DMS:B:306,invalid,,,,,CS(=O)C,
,,,DN8:A:301,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:A:302,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:A:303,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:A:304,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:A:305,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:A:306,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:B:301,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:B:302,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:B:303,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:B:304,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,,,DN8:B:305,valid,Ki,=,3,uM,c1cc(cc(c1)NC(=O)c2cccc(c2)Br)c3[nH]nnn3,
,Family. Representative Entry is ,5TG5,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BCT:A:306,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:304,invalid,,,,,C(=O)(O)[O-],
,,,BCT:A:305,invalid,,,,,C(=O)(O)[O-],
,,,JW8:A:301,invalid,,,,,B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O,
,,,JW8:A:302,valid,,,,,B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O,
,,,MEE:A:307,invalid,,,,,CS,
,Family. Representative Entry is ,2WGV,,,,,,,
,,,CIT:A:1272,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CL:A:1268,invalid,,,,,[Cl-],
,,,CL:A:1269,invalid,,,,,[Cl-],
,,,CL:A:1270,invalid,,,,,[Cl-],
,,,CL:A:1271,invalid,,,,,[Cl-],
,,,CL:B:1266,invalid,,,,,[Cl-],
,,,GOL:A:1265,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1266,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1267,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:1267,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6KA5,,,,,,,
,,,1S7:A:401,valid,,,,,CO[C@@](C=O)([C@@H]1N=C(C(=C)CS1)C(=O)O)NC(=O)Cc2cccs2,
,Family. Representative Entry is ,6OOK,,,,,,,
,,,MZV:B:301,valid,Kd,=,8.14,uM,c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4,
,,,MZV:B:302,valid,Kd,=,8.14,uM,c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4,
,,,MZV:A:302,valid,Kd,=,8.14,uM,c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4,
,,,MZV:A:301,valid,Kd,=,8.14,uM,c1ccnc(c1)c2cc(cc(c2)C(F)(F)F)C(=O)Nc3cccc(c3)c4[nH]nnn4,
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1M2X,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:804,invalid,,,,,C(C(CO)O)O,
,,,MCO:A:811,valid,Ki,~,85,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,MCO:B:812,valid,Ki,~,85,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,MCO:C:813,valid,Ki,~,85,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,MCO:D:814,valid,Ki,~,85,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,ZN:A:900,Part of Protein,,,,,[Zn+2],
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:900,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,ZN:C:900,Part of Protein,,,,,[Zn+2],
,,,ZN:C:901,Part of Protein,,,,,[Zn+2],
,,,ZN:C:902,Part of Protein,,,,,[Zn+2],
,,,ZN:D:900,Part of Protein,,,,,[Zn+2],
,,,ZN:D:901,Part of Protein,,,,,[Zn+2],
,,,ZN:D:902,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5K1F,,,,,,,
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,IMP:A:401,valid,Ki,=,16.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,5K1D,,,,,,,
,,,5GP:A:401,valid,Ki,=,20.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:402,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,Family. Representative Entry is ,3G2Y,,,,,,,
,,,DMS:B:3,invalid,,,,,CS(=O)C,
,,,GF4:A:1,valid,,,,,CCC1=C(NN(C1=O)c2[nH]nnn2)C,
,,,GF4:B:2,valid,,,,,CCC1=C(NN(C1=O)c2[nH]nnn2)C,
,Family. Representative Entry is ,2Y91,,,,,,,
,,,98J:A:1293,valid,,,,,C(CO)C(=O)CC(=O)O,
,,,98J:B:1293,valid,,,,,C(CO)C(=O)CC(=O)O,
,,,98J:B:1294,valid,,,,,C(CO)C(=O)CC(=O)O,
,,,CIT:A:1294,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PGE:A:1295,invalid,,,,,C(COCCOCCO)O,
,,3SOI,,,,,,,
,,,CIT:A:300,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:300,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1PZO,,,,,,,
,,,CBT:A:300,valid,Ki,=,460,uM,c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl,
,,,CBT:A:301,valid,Ki,=,460,uM,c1cc(ccc1CN(Cc2ccc(cc2)Cl)c3n[nH]nn3)Cl,
,,1PZP,,,,,,,
,,,FTA:A:300,valid,Ki,=,480,uM,c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)/c3n[nH]nn3,
,,,FTA:A:301,valid,Ki,=,480,uM,c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)/c3n[nH]nn3,
,,1NY0,,,,,,,
,,,K:A:2,Part of Protein,,,,,[K+],
,,,NBF:A:300,valid,,,,,B(CNC(=O)c1c2ccccc2ccc1OCC)(O)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NXY,,,,,,,
,,,K:A:1,Part of Protein,,,,,[K+],
,,,SM2:A:500,valid,,,,,B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O,
,,,SM2:A:501,valid,,,,,B([C@H](c1cccc(c1)C(=O)O)NC(=O)Cc2cccs2)(O)O,
,,3P98,,,,,,,
,,,CIT:A:1,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:A:290,invalid,,,,,C(COCCO)O,
,,,PEG:B:290,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6BT6,,,,,,,
,,,3GK:A:301,valid,Ki,=,1.23,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:301,valid,Ki,=,1.23,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:B:302,valid,Ki,=,1.23,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,,,3GK:A:302,valid,Ki,=,1.23,uM,c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4,
,Family. Representative Entry is ,4DDS,,,,,,,
,,,0J7:A:301,valid,Ki,=,9.7,uM,c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4,
,,,0J7:A:302,valid,Ki,=,9.7,uM,c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4,
,,,0J7:A:303,valid,Ki,=,9.7,uM,c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4,
,,,0J7:B:301,valid,Ki,=,9.7,uM,c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4,
,,,0J7:B:302,valid,Ki,=,9.7,uM,c1cc(cc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3)c4ncccn4,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,1JT1,,,,,,,
,,,CL:A:600,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,MCO:A:700,valid,Ki,=,400,uM,C[C@H](CS)C(=O)N1CCC[C@@H]1C(=O)O,
,,,SO4:A:500,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4DE2,,,,,,,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DN3:A:301,valid,Ki,=,76,uM,CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3,
,,,DN3:A:302,valid,Ki,=,76,uM,CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3,
,,,DN3:B:301,valid,Ki,=,76,uM,CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3,
,,,DN3:B:302,valid,Ki,=,76,uM,CN(C)Cc1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3,
,Family. Representative Entry is ,1W7F,,,,,,,
,,,ICT:A:1291,valid,,,,,C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,4DE0,,,,,,,
,,,0JB:A:300,valid,Ki,=,1.3,uM,c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4,
,,,0JB:B:301,valid,Ki,=,1.3,uM,c1cc(cc(c1)NC(=O)c2cccc3c2[nH]cn3)c4[nH]nnn4,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
4.2.3.6,,,,,,,,,
,Family. Representative Entry is ,2AEL,,,,,,,
,,,EDO:A:750,invalid,,,,,C(CO)O,
,,,EDO:A:752,invalid,,,,,C(CO)O,
,,,EDO:B:751,invalid,,,,,C(CO)O,
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,POP:B:700,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SAZ:B:704,valid,Ki,=,0.51,uM,CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C,
,,1YYR,,,,,,,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,POP:B:700,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SAZ:A:709,valid,,,,,CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C,
,,,SAZ:B:704,valid,,,,,CC1=CC[C@@H](CC1)[N@@H+](C)CCC=C(C)C,
1.3.8.1,,,,,,,,,
,Family. Representative Entry is ,6KSA,,,,,,,
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ST9:B:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:A:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6LQ7,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,X90 COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,X90 COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6LQ4,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MYR COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,MYR COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6KS9,,,,,,,
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6KSB,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PLM COA:B:703,valid,,,,,S(C(=O)CCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,PLM COA:A:703,valid,,,,,S(C(=O)CCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6LQ5,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PLM COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,PLM COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6KPT,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6LQ2,,,,,,,
,,,DKA COA:B:702,valid,,,,,S(C(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,DKA COA:A:702,valid,,,,,S(C(=O)CCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6LQ8,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EO3 COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,EO3 COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6KRI,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6LQ3,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,DAO COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,DAO COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6LPY,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,BUA COA:A:702,valid,,,,,S(C(=O)CCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,BUA COA:B:702,valid,,,,,S(C(=O)CCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6LQ0,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,6NA COA:A:702,valid,,,,,S(C(=O)CCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,6NA COA:B:702,valid,,,,,S(C(=O)CCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,6LQ6,,,,,,,
,,,DCR COA:B:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,DCR COA:A:702,valid,,,,,S(C(=O)CCCCCCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6KSE,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ST9:A:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:B:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6CXT,,,,,,,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FK4:A:100,invalid,,,,,CC(C)(COP(=O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c1ccc[nH]1)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
3.4.24.86,,,,,,,,,
,Family. Representative Entry is ,2FV5,,,,,,,
,,,541:A:1,valid,Ki,~,0.033,nM,Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C,
,,,541:B:2,valid,Ki,~,0.033,nM,Cc1cc(c2ccccc2n1)COc3ccc(cc3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C,
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,3E8R,,,,,,,
,,,615:A:486,valid,,,,,c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N,
,,,615:B:486,valid,,,,,c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)CC5(C[C@@H]5C(=O)NO)C(=O)N,
,,,CIT:B:3,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,INN:A:4,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3EWJ,,,,,,,
,,,642:B:1,valid,Ki,=,143,nM,c1ccc(cc1)c2cc(c3ccccc3n2)COc4ccc(cc4)[C@@H]5C[C@@]6(C[C@@H]6C(=O)O)C(=O)N5,
,,,INN:A:4,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,1ZXC,,,,,,,
,,,IH6:A:478,valid,ic50,=,8,nM,CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C,
,,,IH6:B:478,valid,ic50,=,8,nM,CC#CCOc1ccc(cc1)S(=O)(=O)[N@@]2CCSC([C@@H]2C(=O)NO)(C)C,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,3KME,,,,,,,
,,,INN:A:485,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,IPA:A:7,invalid,,,,,CC(C)O,
,,,Z59:B:485,valid,Ki,=,725,nM,c1ccc(cc1)[C@H]2CCCN2C(=O)[C@@H]([C@H](C(=O)NCc3cccs3)O)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,2A8H,,,,,,,
,,,4NH:A:158,valid,ic50,=,67,nM,CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C,
,,,4NH:B:159,valid,ic50,=,67,nM,CC1([C@@H](N(CCS1)S(=O)(=O)c2ccc(cc2)OCC#CCN)C(=O)NO)C,
,,,ZN:A:486,Part of Protein,,,,,[Zn+2],
,,,ZN:B:486,Part of Protein,,,,,[Zn+2],
,,2FV9,,,,,,,
,,,002:B:2,valid,ic50,=,60,nM,CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](Cc1ccccc1)CC(=O)NO,
,,,INN:A:9,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,3L0T,,,,,,,
,,,INN:A:485,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,IPA:A:7,invalid,,,,,CC(C)O,
,,,IPA:B:8,invalid,,,,,CC(C)O,
,,,Z94:B:485,valid,,,,,CC(=O)Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3LEA,,,,,,,
,,,IPA:B:7,invalid,,,,,CC(C)O,
,,,Z93:A:1,valid,Ki,=,0.8,nM,COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5,
,,,Z93:B:2,valid,Ki,=,0.8,nM,COc1ccc2c(c1)C(=O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc(cc4)c5cccnc5,
,,,ZN:A:485,Part of Protein,,,,,[Zn+2],
,,,ZN:B:485,Part of Protein,,,,,[Zn+2],
,,3LGP,,,,,,,
,,,50X:A:485,valid,Ki,=,2,nM,c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F,
,,,50X:B:485,valid,Ki,=,2,nM,c1ccc2c(c1)nc(n2Cc3ccc(s3)CNC(=O)[C@@H]([C@H](C(=O)N4CCC[C@@H]4c5cccc(c5)Cl)O)O)C(F)(F)F,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,2I47,,,,,,,
,,,INN:A:901,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,INN:B:902,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,KGY:C:1001,valid,ic50,=,2.2,nM,CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO,
,,,KGY:D:1002,valid,ic50,=,2.2,nM,CC#CCOc1ccc(cc1)S(=O)(=O)CC2(CCN(CC2)S(=O)(=O)c3c(noc3C)C)C(=O)NO,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:804,Part of Protein,,,,,[Zn+2],
,,,ZN:D:803,Part of Protein,,,,,[Zn+2],
,,3B92,,,,,,,
,,,440:A:501,valid,Ki,=,10,nM,CC#CCOc1ccc(cc1)S(=O)(=O)CCCS,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,3KMC,,,,,,,
,,,403:B:485,valid,Ki,=,400,nM,c1ccc(c(c1)N2CCN(CC2)C(=O)[C@@H]([C@H](C(=O)NCCc3cccs3)O)O)Cl,
,,,INN:A:485,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3LE9,,,,,,,
,,,727:A:485,valid,Ki,=,6,nM,COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4,
,,,727:B:485,valid,Ki,=,6,nM,COc1ccc2c(c1)C(=O)N(N2)C[C@@]3(C(=O)NC(=O)N3)c4ccccc4,
,,,IPA:A:7,invalid,,,,,CC(C)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3G42,,,,,,,
,,,792:A:1,valid,ic50,=,0.14,uM,CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O,
,,,792:B:2,valid,ic50,=,0.14,uM,CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O,
,,,792:C:3,valid,ic50,=,0.14,uM,CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O,
,,,792:D:4,valid,ic50,=,0.14,uM,CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc2c[nH]c3c2cc(cc3)C)C(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,3EDZ,,,,,,,
,,,550:B:1,valid,,,,,Cc1cc(c2ccccc2n1)COc3ccc(cc3)C[C@@]4(C[C@@H]4C(=O)NO)C(=O)OC,
,,,CIT:A:4,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:3,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,INN:A:2,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,2DDF,,,,,,,
,,,CA:A:475,Part of Protein,,,,,[Ca+2],
,,,CIT:B:500,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,IMD:B:475,invalid,,,,,c1c[nH+]c[nH]1,
,,,INN:A:3,valid,ic50,=,41,nM,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,INN:B:2,valid,ic50,=,41,nM,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,IPA:A:476,invalid,,,,,CC(C)O,
,,,IPA:B:501,invalid,,,,,CC(C)O,
,,,IPA:B:502,invalid,,,,,CC(C)O,
,,,IPA:B:503,invalid,,,,,CC(C)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,2OI0,,,,,,,
,,,283:A:1,valid,Ki,=,28,nM,CC#CCOc1ccc(cc1)S(=O)(=O)[N@]2CC[C@@H](C2)S,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,3L0V,,,,,,,
,,,724:A:485,valid,Ki,=,23,nM,C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC,
,,,724:B:485,valid,Ki,=,23,nM,C[C@]1(C(=O)NC(=O)N1)CN2C(=O)c3cc(ccc3N2)OC,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3O64,,,,,,,
,,,786:B:2,valid,Ki,=,0.4,nM,C[C@H](c1ccc(cc1)n2cccn2)NC(=O)[C@@H]([C@H](C(=O)N3CCC[C@@H]3c4c(sc(n4)NC)S(=O)(=O)C)O)O,
,,,CA:A:3,Part of Protein,,,,,[Ca+2],
,,,INN:A:9,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,IPA:A:5,invalid,,,,,CC(C)O,
,,,IPA:B:4,invalid,,,,,CC(C)O,
,,,IPA:B:6,invalid,,,,,CC(C)O,
,,,IPA:B:7,invalid,,,,,CC(C)O,
,,,IPA:B:8,invalid,,,,,CC(C)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:485,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1BKC,,,,,,,
,,,INN:A:2,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,INN:C:2,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,INN:E:2,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,INN:I:2,valid,,,,,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC(C)C(=O)NCCN)C(C)(C)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1,Part of Protein,,,,,[Zn+2],
,,,ZN:I:1,Part of Protein,,,,,[Zn+2],
4.1.99.14,,,,,,,,,
,Family. Representative Entry is ,4FHD,,,,,,,
,,,0TT:A:408,valid,,,,,C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O,
,,,EEM:A:402,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,POP:A:409,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4K9R,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EEM:A:402,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4FHE,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EEM:A:407,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4RH0,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EEM:A:401,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:409,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4FHG,,,,,,,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EEM:A:402,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FHC,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EEM:A:402,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4FHF,,,,,,,
,,,0TT:A:409,valid,,,,,C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)CC3=CN(C(=O)NC3=O)[C@H]4C[C@@H]([C@H](O4)CO)O,
,,,EEM:A:402,valid,,,,,C[Se@@+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,POP:A:408,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.31,,,,,,,,,
,Family. Representative Entry is ,6NCZ,,,,,,,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:702,invalid,,,,,C(C(CO)O)O,
,,,FYJ:E:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:D:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:A:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:F:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:B:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:C:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,Family. Representative Entry is ,6NCX,,,,,,,
,,,ADA:A:601,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,ADA:C:601,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,ADA:D:601,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,ADA:B:601,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:D:602,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6D6W,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GCU:A:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GCU:B:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GCU:C:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GCU:D:701,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,,,CL:A:705,invalid,,,,,[Cl-],
,,,CL:D:705,invalid,,,,,[Cl-],
,,,CL:C:705,invalid,,,,,[Cl-],
,,,CL:B:705,invalid,,,,,[Cl-],
,,6D41,,,,,,,
,,,CL:B:704,invalid,,,,,[Cl-],
,,,CL:A:706,invalid,,,,,[Cl-],
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GCB:B:705,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,GCB:A:707,valid,,,,,[C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,6D7F,,,,,,,
,,,GOL:F:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:F:702,invalid,,,,,[Cl-],
,,,CL:C:702,invalid,,,,,[Cl-],
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:D:702,invalid,,,,,[Cl-],
,,,FYJ:F:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:E:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:D:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:A:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:C:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,,,FYJ:B:701,valid,,,,,c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O,
,Family. Representative Entry is ,3LPF,,,,,,,
,,,Z77:A:604,valid,Ki,=,208,nM,Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC,
,,,Z77:B:604,valid,Ki,=,208,nM,Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3cccc(c3)OC,
,,3K4D,,,,,,,
,,,EVA:A:604,valid,Ki,=,7750,nM,[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O,
,,,EVA:B:604,valid,Ki,=,7750,nM,[C@@H]1([C@@H]([C@H](NC(=O)[C@@H]1O)C(=O)O)O)O,
,,5CZK,,,,,,,
,,,57Z:B:701,valid,Ki,=,1.9,uM,Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C,
,,,57Z:A:701,valid,Ki,=,1.9,uM,Cc1cc(c2c(c1)C=C(C(=O)N2)CN(CCO)C(=S)Nc3ccc(cc3)O)C,
3.4.24.68,,,,,,,,,
,Family. Representative Entry is ,1DLL,,,,,,,
,,,GOL:A:3000,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1FV3,,,,,,,
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC CEQ GAL SLB NGA GAL SIA SIA:D:1,valid,,,,,[Si](CCOC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(OC3C(NC(=O)C)C(OC4C(O)C(OC5(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C5)C(O)C(CO)O4)C(O)C(CO)O3)C(CO)O2)C(CO)O1)(C)(C)C,
,,,BGC CEQ GAL SLB NGA GAL SIA SIA:C:1,valid,,,,,[Si](CCOC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(OC3C(NC(=O)C)C(OC4C(O)C(OC5(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C5)C(O)C(CO)O4)C(O)C(CO)O3)C(CO)O2)C(CO)O1)(C)(C)C,
,,1YYN,,,,,,,
,,,BGC GLA SIA SIA:B:1,valid,,,,,,
,,1D0H,,,,,,,
,,,A2G:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FV2,,,,,,,
,,,PO4:A:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC CEQ GAL SLB NGA GAL SIA SIA:B:1,valid,,,,,[Si](CCOC1C(O)C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(OC3C(NC(=O)C)C(OC4C(O)C(OC5(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C5)C(O)C(CO)O4)C(O)C(CO)O3)C(CO)O2)C(CO)O1)(C)(C)C,
,,3HMY,,,,,,,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,SIA SIA SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YXW,,,,,,,
,,,TYR GLU TRP:A:5292,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2,
,,3HN1,,,,,,,
,,,GLA:A:7,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SIA SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1DIW,,,,,,,
,,,GAL:A:1400,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
5.4.99.9,,,,,,,,,
,Family. Representative Entry is ,4RPL,,,,,,,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,3UC:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O,
,,,3UC:C:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O,
,,,3UC:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3C(C([C@H]([C@H](O3)CO)O)(F)F)(F)F)O)O,
,,1V0J,,,,,,,
,,,BCN:A:1394,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,FAD:A:1393,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1390,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:1388,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:1388,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4RPJ,,,,,,,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4RPG,,,,,,,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,FAD:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,4U8P,,,,,,,
,,,UDP:A:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:D:609,invalid,,,,,C(CO)O,
,,,EDO:D:607,invalid,,,,,C(CO)O,
,,,EDO:C:614,invalid,,,,,C(CO)O,
,,,EDO:D:610,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:608,invalid,,,,,C(CO)O,
,,,EDO:D:611,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:C:613,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:616,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:C:615,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UTH,,,,,,,
,,,FDA:A:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:514,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:514,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4U8J,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:D:607,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UTF,,,,,,,
,,,FDA:A:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4U8L,,,,,,,
,,,SO4:D:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:D:609,invalid,,,,,C(CO)O,
,,,EDO:B:616,invalid,,,,,C(CO)O,
,,,EDO:D:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:D:611,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UTE,,,,,,,
,,,ACT:B:516,invalid,,,,,CC(=O)[O-],
,,,FAD:A:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:2001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:B:517,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4U8M,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:D:607,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UKH,,,,,,,
,,,CL:A:522,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:H:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:C:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:E:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:F:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:G:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:H:521,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,4WX1,,,,,,,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4U8N,,,,,,,
,,,UDP:A:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:603,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4U8O,,,,,,,
,,,SO4:D:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:609,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:609,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:609,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:609,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,EDO:D:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:612,invalid,,,,,C(CO)O,
,,,EDO:D:611,invalid,,,,,C(CO)O,
,,,EDO:C:612,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,3UTG,,,,,,,
,,,FDA:A:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:511,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:515,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:515,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4U8K,,,,,,,
,,,SO4:D:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:614,invalid,,,,,C(CO)O,
,,,EDO:B:615,invalid,,,,,C(CO)O,
,,,EDO:D:609,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:608,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:C:608,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3UKF,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:B:511,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,CL:E:511,invalid,,,,,[Cl-],
,,,CL:F:511,invalid,,,,,[Cl-],
,,,CL:G:511,invalid,,,,,[Cl-],
,,,CL:H:511,invalid,,,,,[Cl-],
,,,FDA:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:E:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:F:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:G:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:H:600,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:C:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:E:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:F:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:G:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:H:802,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,5HHF,,,,,,,
,,,FDA:D:605,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:606,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,62F:B:604,valid,,,,,Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O,
,,,62F:A:603,valid,,,,,Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MRY:C:605,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:B:603,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:D:604,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:A:602,invalid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,UDP:A:604,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:605,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4U8I,,,,,,,
,,,SO4:C:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:615,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:613,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:C:606,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:D:605,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:D:603,invalid,,,,,C(CO)O,
,,,EDO:C:607,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4GDE,,,,,,,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4DSG,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4DSH,,,,,,,
,,,EPE:A:506,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FDA:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1I8T,,,,,,,
,,,FAD:A:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:451,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4MO2,,,,,,,
,,,NH4:A:404,invalid,,,,,[NH4+],
,,,NH4:A:403,invalid,,,,,[NH4+],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:405,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5BR7,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,IPA:A:410,invalid,,,,,CC(C)O,
,,,IPA:A:409,invalid,,,,,CC(C)O,
,,,IPA:A:408,invalid,,,,,CC(C)O,
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,FLC:A:411,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5EQF,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UDP:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3HDY,,,,,,,
,,,FAD:A:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:G:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:C:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:E:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:F:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:G:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:H:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:I:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:J:500,valid,Kd,=,66,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,3HE3,,,,,,,
,,,FAD:A:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,UDP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:E:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:G:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:H:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:I:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:J:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3HDQ,,,,,,,
,,,FAD:A:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:I:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:450,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:C:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:D:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:E:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:F:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:G:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:H:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:I:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:J:500,valid,Kd,=,220,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,3GF4,,,,,,,
,,,FAD:A:391,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:391,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,U5P:B:392,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,UPG:A:392,valid,Kd,=,750,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1WAM,,,,,,,
,,,FAD:A:1384,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2BI8,,,,,,,
,,,FAD:A:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3INR,,,,,,,
,,,FAD:A:391,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:391,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GDU:A:392,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,,GDU:B:392,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O,
,,2BI7,,,,,,,
,,,FAD:A:1385,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.4.17.20,,,,,,,,,
,Family. Representative Entry is ,4P10,,,,,,,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,2B8:A:501,valid,,,,,CCCn1cnc2c1CC[C@@](C2)(CCCN)C(=O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3LMS,,,,,,,
,,,CA:A:509,Part of Protein,,,,,[Ca+2],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,GLY:A:501,valid,,,,,C(C(=O)O)N,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,K:A:510,invalid,,,,,[K+],
,,,K:A:511,invalid,,,,,[K+],
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
1.6.99.1,,,,,,,,,
,Family. Representative Entry is ,1VYP,,,,,,,
,,,FMN:X:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TNF:X:500,valid,Kd,=,0.07,uM,c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],
,,1H60,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,STR:A:500,valid,Kd,=,20,uM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,3P7Y,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,P7Y:A:402,valid,,,,,c1ccc(c(c1)/C=C/[N+](=O)[O-])O,
,,1H50,,,,,,,
,,,ACT:A:1365,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3P67,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3KFT,,,,,,,
,,,FMN:A:365,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:365,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NAD:A:366,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:366,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3P74,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1GVQ,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,A2Q:A:500,valid,,,,,C1CC=CC(=O)C1,
,,5LGX,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IPA:A:403,invalid,,,,,CC(C)O,
,,,IPA:A:402,invalid,,,,,CC(C)O,
,,,IPA:A:405,invalid,,,,,CC(C)O,
,,,IPA:A:404,invalid,,,,,CC(C)O,
,,2ABA,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IPA:A:1501,valid,,,,,CC(C)O,
,,,IPA:A:1502,valid,,,,,CC(C)O,
,,,STR:A:1500,valid,Kd,=,0.7,uM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,6GIA,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6GI7,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1VYS,,,,,,,
,,,FMN:X:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TNF:X:500,valid,Kd,=,0.24,uM,c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],
,,1GVO,,,,,,,
,,,DNF:A:500,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3P81,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,P81:A:402,valid,,,,,c1cc(ccc1/C=C/[N+](=O)[O-])O,
,,5LGZ,,,,,,,
,,,IPA:A:402,invalid,,,,,CC(C)O,
,,,IPA:A:401,invalid,,,,,CC(C)O,
,,,FNR:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3P62,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6GI9,,,,,,,
,,,ACT:A:1402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3P82,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1GVR,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TNL:A:500,valid,,,,,Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-],
,,1H63,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1H62,,,,,,,
,,,ANB:A:501,valid,Kd,=,17,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C,
,,,FMN:A:1365,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1GVS,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TNF:A:500,valid,,,,,c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],
,,1H61,,,,,,,
,,,FMN:A:1365,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PDN:A:1366,valid,Kd,=,13,uM,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C,
,,3P80,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,P80:A:402,valid,,,,,c1cc(cc(c1)O)/C=C/[N+](=O)[O-],
,,,P80:A:403,valid,,,,,c1cc(cc(c1)O)/C=C/[N+](=O)[O-],
,,2ABB,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IPA:A:1502,valid,,,,,CC(C)O,
,,,SCN:A:1501,invalid,,,,,C(#N)[S-],
,,6GI8,,,,,,,
,,,ACT:A:1402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1VYR,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TNF:A:1402,valid,Kd,=,5.4,uM,c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-],
,,1H51,,,,,,,
,,,FMN:A:1365,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SCN:A:1366,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,2H8Z,,,,,,,
,,,8CM:A:801,valid,Kd,=,2.5,uM,c1cc2c(c(c1)O)OC(=O)C=C2,
,,,8CM:A:802,valid,Kd,=,2.5,uM,c1cc2c(c(c1)O)OC(=O)C=C2,
,,,8CM:A:803,valid,Kd,=,2.5,uM,c1cc2c(c(c1)O)OC(=O)C=C2,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2H90,,,,,,,
,,,BU3:A:1600,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,COU:A:801,valid,Kd,=,5,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:802,valid,Kd,=,5,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CPO,,,,,,,
,,,FNR:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,XEN:B:401,valid,,,,,CCCCN1CCCC(=C1)C(=O)N,
,,,XEN:A:401,valid,,,,,CCCCN1CCCC(=C1)C(=O)N,
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,3L5M,,,,,,,
,,,BU3:A:1508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1509,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:2176,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,COU:A:801,valid,Kd,=,8.4,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:802,valid,Kd,=,8.4,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N14,,,,,,,
,,,BU3:A:2176,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L67,,,,,,,
,,,BU3:A:1508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L68,,,,,,,
,,,BU3:A:1508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,COU:A:801,valid,Kd,=,69.2,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:802,valid,Kd,=,69.2,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:803,valid,Kd,=,69.2,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5N6Q,,,,,,,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:406,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,8OZ:A:401,valid,,,,,C=C(c1ccccc1)C(=O)O,
,,,8OZ:B:402,valid,,,,,C=C(c1ccccc1)C(=O)O,
,,5CPN,,,,,,,
,,,FNR:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,531:A:401,valid,,,,,CC(=O)[C@H]1CCCN(C1)Cc2ccccc2,
,,,531:B:401,valid,,,,,CC(=O)[C@H]1CCCN(C1)Cc2ccccc2,
,,5CPM,,,,,,,
,,,FNR:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NDP:A:401,valid,Kd,=,27,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,Kd,=,27,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3L65,,,,,,,
,,,BU3:A:1508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1509,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2H8X,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L66,,,,,,,
,,,BU3:A:1509,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:2176,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,COU:A:801,valid,Kd,=,20.9,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:802,valid,Kd,=,20.9,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,COU:A:803,valid,Kd,=,20.9,uM,c1ccc2c(c1)C=CC(=O)O2,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L5L,,,,,,,
,,,BU3:A:1508,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:1509,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:2176,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3N19,,,,,,,
,,,FNR:B:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:B:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CPL,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,536:B:401,valid,Kd,<,25,uM,c1ccc(cc1)CN2CCCC(=C2)C(=O)N,
,,,536:A:401,valid,Kd,<,25,uM,c1ccc(cc1)CN2CCCC(=C2)C(=O)N,
,,,FNR:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5OCS,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,CIT:D:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1OYB,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:402,valid,,,,,c1cc(ccc1C=O)O,
,,1OYC,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1BWK,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1OYA,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3KRU,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3KRZ,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,TXD:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,TXD:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,TXD:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,,,TXD:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5CC=CC(C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,3HF3,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HGJ,,,,,,,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HBA:A:1101,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:1102,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:C:1103,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:D:1104,valid,,,,,c1cc(ccc1C=O)O,
,Family. Representative Entry is ,4RNX,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4RNV,,,,,,,
,,,HBA:D:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:C:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:502,valid,,,,,c1cc(ccc1C=O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4RNW,,,,,,,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,EPE:A:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:402,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
1.14.16.1,,,,,,,,,
,Family. Representative Entry is ,4ANP,,,,,,,
,,,3QI:A:1427,valid,Ki,=,200,uM,Cc1ccnc(c1)N2C(=O)c3c(c(sc3N=C2S)C)C,
,,,FE:A:1426,Part of Protein,,,,,[Fe+3],
,,1TG2,,,,,,,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,,H2B:A:426,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=NC(=NC(=O)C2=N1)N)O)O,
,,1J8U,,,,,,,
,,,FE2:A:428,Part of Protein,,,,,[Fe+2],
,,,H4B:A:429,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,1MMT,,,,,,,
,,,FE2:A:1425,Part of Protein,,,,,[Fe+2],
,,,H4B:A:1426,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,NLE:A:1427,valid,,,,,CCCC[C@@H](C(=O)O)N,
,,,SO4:A:428,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LRM,,,,,,,
,,,FE:A:428,Part of Protein,,,,,[Fe+3],
,,,HBI:A:429,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,1DMW,,,,,,,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,,HBI:A:700,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,,1KW0,,,,,,,
,,,FE2:A:428,Part of Protein,,,,,[Fe+2],
,,,H4B:A:429,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,TIH:A:430,valid,,,,,c1cc(sc1)C[C@@H](C(=O)O)N,
,,6PAH,,,,,,,
,,,DAH:A:600,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)O)O,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,1MMK,,,,,,,
,,,FE2:A:1426,Part of Protein,,,,,[Fe+2],
,,,H4B:A:1427,valid,,,,,C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O,
,,,SO4:A:429,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TIH:A:428,valid,,,,,c1cc(sc1)C[C@@H](C(=O)O)N,
,,5PAH,,,,,,,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,,LDP:A:600,valid,,,,,c1cc(c(cc1CCN)O)O,
,,3PAH,,,,,,,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,,XDE:A:700,valid,,,,,CNC[C@H](c1ccc(c(c1)O)O)O,
,,4PAH,,,,,,,
,,,FE:A:425,Part of Protein,,,,,[Fe+3],
,,,LNR:A:600,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,Family. Representative Entry is ,1LTZ,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,HBI:A:500,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,Family. Representative Entry is ,5FII,,,,,,,
,,,PHE:B:901,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:901,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:A:901,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:C:901,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
3.1.3.2,,,,,,,,,
,Family. Representative Entry is ,4JOB,,,,,,,
,,,TLA:A:501,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4JOC,,,,,,,
,,,MLA:A:501,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,1DKQ,,,,,,,
,,,IHP:A:550,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,1DKP,,,,,,,
,,,IHP:A:550,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6OFD,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:521,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:521,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:524,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:521,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:523,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:525,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,GOL:D:514,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,NAG FUC NAG:M:1,invalid,,,,,,
,,,NAG FUC NAG:K:1,invalid,,,,,,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,EDO:B:523,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:C:519,invalid,,,,,C(CO)O,
,,,EDO:C:517,invalid,,,,,C(CO)O,
,,,EDO:C:518,invalid,,,,,C(CO)O,
,,,EDO:C:520,invalid,,,,,C(CO)O,
,,,PGE:A:527,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:515,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:516,invalid,,,,,C(COCCOCCO)O,
,,,CL:D:517,invalid,,,,,[Cl-],
,,,NA:A:518,invalid,,,,,[Na+],
,,,NA:D:511,Part of Protein,,,,,[Na+],
,,,NA:A:519,Part of Protein,,,,,[Na+],
,,,NA:C:509,invalid,,,,,[Na+],
,,,NA:C:508,Part of Protein,,,,,[Na+],
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MF1:A:517,valid,Ki,=,0.5,uM,CCCCCCCCCCCCCCCCCCO[C@H](c1cccc2c1cccc2)P(=O)(O)O,
,,,NAG FUC:L:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG BMA:F:1,invalid,,,,,,
,,,NAG FUC NAG BMA:N:1,invalid,,,,,,
,,,NAG FUC NAG BMA:H:1,invalid,,,,,,
,,,NAG FUC NAG BMA:J:1,invalid,,,,,,
,,,NAG FUC NAG BMA MAN MAN:G:1,invalid,,,,,,
,,6PY9,,,,,,,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,NAG FUC NAG:G:1,invalid,,,,,,
,,,NAG FUC NAG:F:1,invalid,,,,,,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,GOL:B:521,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:528,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:520,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:523,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:522,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:527,invalid,,,,,C(C(CO)O)O,
,,,EDO:C:515,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,EDO:C:518,invalid,,,,,C(CO)O,
,,,EDO:C:513,invalid,,,,,C(CO)O,
,,,EDO:C:519,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:C:521,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:C:520,invalid,,,,,C(CO)O,
,,,EDO:D:518,invalid,,,,,C(CO)O,
,,,EDO:D:515,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:D:516,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:C:517,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:C:510,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:C:516,invalid,,,,,C(CO)O,
,,,FLC:C:524,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:525,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:C:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AD9:C:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,AD9:A:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)O[V](=O)(O)O)O)O)N,
,,,CL:B:525,invalid,,,,,[Cl-],
,,,FUC:H:2,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,P4J:B:509,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@@H](O2)CO[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])O[V]([O])([O])O[V]([O])([O])[O])O[V]([O])([O])[O],
,,,NA:B:512,invalid,,,,,[Na+],
,,,NA:D:514,Part of Protein,,,,,[Na+],
,,,NA:A:513,invalid,,,,,[Na+],
,,,PGE:A:530,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:526,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:524,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:529,invalid,,,,,C(COCCOCCO)O,
,,4DSY,,,,,,,
,,,0LO:A:503,valid,Ki,=,37,uM,c1ccc(cc1)c2cc(cnc2)C(=O)O,
,,,ACT:A:522,invalid,,,,,CC(=O)[O-],
,,,ACT:D:519,invalid,,,,,CC(=O)[O-],
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:B:515,invalid,,,,,C(CO)O,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:B:519,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:C:514,invalid,,,,,C(CO)O,
,,,EDO:D:516,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,EDO:D:518,invalid,,,,,C(CO)O,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:511,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:514,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:506,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:J:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG:K:1,Part of Protein,,,,,,
,,,NAG FUC NAG:M:1,Part of Protein,,,,,,
,,,NAG FUC NAG:F:1,Part of Protein,,,,,,
,,,NAG FUC NAG:L:1,Part of Protein,,,,,,
,,,NAG FUC NAG:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG:G:1,Part of Protein,,,,,,
,,,NAG FUC NAG:I:1,Part of Protein,,,,,,
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:510,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,6G46,,,,,,,
,,,EDO:B:516,invalid,,,,,C(CO)O,
,,,EDO:D:514,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:D:505,invalid,,,,,C(CO)O,
,,,EDO:B:517,invalid,,,,,C(CO)O,
,,,EDO:B:518,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,NAG FUC:K:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:L:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,GOL:C:513,invalid,,,,,C(C(CO)O)O,
,,,NAG:D:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,NAG FUC NAG:F:1,invalid,,,,,,
,,,NAG FUC NAG:M:1,invalid,,,,,,
,,,NAG FUC NAG:G:1,invalid,,,,,,
,,,NAG FUC NAG:J:1,invalid,,,,,,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,NAG FUC NAG:I:1,invalid,,,,,,
,,,NA:B:514,invalid,,,,,[Na+],
,,,NA:B:513,Part of Protein,,,,,[Na+],
,,,NA:D:513,Part of Protein,,,,,[Na+],
,,,ELH:A:515,valid,Ki,=,185,uM,c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O,
,,,ELH:B:512,valid,Ki,=,185,uM,c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O,
,,,IPA:B:515,invalid,,,,,CC(C)O,
,,4DHL,,,,,,,
,,,0K7:A:503,valid,Ki,=,33,uM,Cc1ccc(cc1)c2nc(cs2)C(=O)O,
,,,0K7:B:503,valid,Ki,=,33,uM,Cc1ccc(cc1)c2nc(cs2)C(=O)O,
,,,0K7:C:503,valid,Ki,=,33,uM,Cc1ccc(cc1)c2nc(cs2)C(=O)O,
,,,0K7:D:503,valid,Ki,=,33,uM,Cc1ccc(cc1)c2nc(cs2)C(=O)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:D:506,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:D:511,invalid,,,,,C(CO)O,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:512,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:509,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:517,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:L:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:K:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC NAG:J:1,Part of Protein,,,,,,
,,,NAG FUC NAG:F:1,Part of Protein,,,,,,
,,,NAG FUC NAG:M:1,Part of Protein,,,,,,
,,,NAG FUC NAG:E:1,Part of Protein,,,,,,
,,,NAG FUC NAG:G:1,Part of Protein,,,,,,
,,,NAG FUC NAG:I:1,Part of Protein,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,6OF5,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:523,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:521,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:519,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:517,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:522,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:520,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:518,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,EDO:B:524,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:C:521,invalid,,,,,C(CO)O,
,,,EDO:B:523,invalid,,,,,C(CO)O,
,,,EDO:D:504,invalid,,,,,C(CO)O,
,,,EDO:C:519,invalid,,,,,C(CO)O,
,,,EDO:D:515,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:C:522,invalid,,,,,C(CO)O,
,,,EDO:D:516,invalid,,,,,C(CO)O,
,,,EDO:C:518,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:C:520,invalid,,,,,C(CO)O,
,,,NA:C:517,Part of Protein,,,,,[Na+],
,,,NA:C:516,Part of Protein,,,,,[Na+],
,,,NA:D:514,Part of Protein,,,,,[Na+],
,,,NA:A:522,Part of Protein,,,,,[Na+],
,,,NA:A:521,invalid,,,,,[Na+],
,,,PGE:D:519,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:527,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:521,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:526,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:520,invalid,,,,,C(COCCOCCO)O,
,,,NAG FUC NAG:M:1,invalid,,,,,,
,,,NAG FUC NAG:H:1,invalid,,,,,,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,NAG FUC NAG:K:1,invalid,,,,,,
,,,GOL:D:518,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC:L:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,MFJ:A:528,valid,Ki,=,4.5,uM,CCC/C=CCC/C=CC=CCO[C@@H](c1cccc2c1cccc2)P(=O)(O)O,
,,,NAG FUC NAG BMA:I:1,invalid,,,,,,
,,,NAG FUC NAG BMA:J:1,invalid,,,,,,
,,,NAG FUC NAG BMA:N:1,invalid,,,,,,
,,,NAG FUC NAG BMA:F:1,invalid,,,,,,
,,,NAG FUC NAG BMA MAN MAN:G:1,invalid,,,,,,
,Family. Representative Entry is ,6HWR,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FE:D:502,Part of Protein,,,,,[Fe+3],
,,,FE:C:502,Part of Protein,,,,,[Fe+3],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:516,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:515,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:D:520,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:D:519,invalid,,,,,C(CO)O,
,,,EDO:D:521,invalid,,,,,C(CO)O,
,,,EDO:C:511,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:D:517,invalid,,,,,C(CO)O,
,,,EDO:C:512,invalid,,,,,C(CO)O,
,,,EDO:D:518,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:B:514,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,NAG:B:519,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:518,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:527,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:518,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:523,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:517,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:528,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:524,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,VV6:B:521,invalid,,,,,O[V](O[V](=O)[V](O)(O)O[V](O)(O)O[V](O)(O)O)O[V](O)(O)(O)O,
,,,VN3:D:532,invalid,,,,,O=[V-](=O)=O,
,,,NAG FUC NAG:F:1,invalid,,,,,,
,,,NAG FUC NAG:H:1,invalid,,,,,,
,,,NAG FUC NAG:E:1,invalid,,,,,,
,,,IPA:D:531,invalid,,,,,CC(C)O,
,,,NA:A:526,invalid,,,,,[Na+],
,,,NA:D:529,invalid,,,,,[Na+],
,,,NA:A:525,invalid,,,,,[Na+],
,,,NA:C:519,Part of Protein,,,,,[Na+],
,,,NA:B:520,invalid,,,,,[Na+],
,,,PGE:D:522,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:513,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:523,invalid,,,,,C(COCCOCCO)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,H1Q:A:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO[V]([O-])([O-])O[V](O)([O-])([O-])[O-])O)O)N,
,,,H1W:D:530,invalid,,,,,O[V](O)(O)(O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,H1T:C:520,invalid,,,,,O=[V](O[V]([O])([O])O[V]([O])([O])O[V]([O])O[V]([O])([O])[O])O([V]([O])[O])[V]([O])([O])([O])[O],
,Family. Representative Entry is ,1Z5U,,,,,,,
,,,CMP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:505,Part of Protein,,,,,[Mg+2],
,,,MG:D:507,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3OCZ,,,,,,,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,SRA:A:264,valid,Ki,=,0.035,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)O)O)O)N,
,,3OCW,,,,,,,
,,,3AM:A:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,3OCV,,,,,,,
,,,AMP:A:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:264,Part of Protein,,,,,[Mg+2],
,,3SF0,,,,,,,
,,,AMP:A:264,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,3OCX,,,,,,,
,,,2AM:A:263,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)(O)O)N,
,,,MG:A:264,Part of Protein,,,,,[Mg+2],
,,3OCU,,,,,,,
,,,MG:A:263,Part of Protein,,,,,[Mg+2],
,,,NMN:A:2003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2B82,,,,,,,
,,,ADN:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MG:A:1013,Part of Protein,,,,,[Mg+2],
,,,MG:B:1014,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2G1A,,,,,,,
,,,5HG:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N,
,,,5HG:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,1RMT,,,,,,,
,,,ADN:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:C:1503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:D:1504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MG:A:1413,Part of Protein,,,,,[Mg+2],
,,,MG:B:1414,Part of Protein,,,,,[Mg+2],
,,,MG:C:1415,Part of Protein,,,,,[Mg+2],
,,,MG:D:1416,Part of Protein,,,,,[Mg+2],
,,1RMY,,,,,,,
,,,DCZ:A:807,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,DCZ:B:801,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O,
,,,MG:A:813,Part of Protein,,,,,[Mg+2],
,,,MG:B:814,Part of Protein,,,,,[Mg+2],
,,,PO4:B:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2B8J,,,,,,,
,,,ADN:B:331,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,AU:A:320,invalid,,,,,[Au+],
,,,AU3:A:321,invalid,,,,,[Au+3],
,,,MG:A:311,Part of Protein,,,,,[Mg+2],
,,,MG:B:312,Part of Protein,,,,,[Mg+2],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPM:A:653,invalid,,,,,C(CCNCCCN)CNCCCN,
,Family. Representative Entry is ,3IT1,,,,,,,
,,,ACT:A:343,invalid,,,,,CC(=O)[O-],
,,,ACT:B:343,invalid,,,,,CC(=O)[O-],
,,,PG0:A:501,invalid,,,,,COCCOCCO,
,,,PG0:A:502,invalid,,,,,COCCOCCO,
,,,PG0:B:501,invalid,,,,,COCCOCCO,
,,,PG0:B:502,invalid,,,,,COCCOCCO,
,,,TLA:A:402,valid,Ki,=,0.2,mM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:402,valid,Ki,=,0.2,mM,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3IT3,,,,,,,
,,,3AM:A:343,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
,,,3AM:B:343,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N,
3.2.-.-,,,,,,,,,
,Family. Representative Entry is ,4GIM,,,,,,,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,PSU:A:400,valid,,,,,C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,PSU:B:400,valid,,,,,C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,PSU:C:400,valid,,,,,C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
6.5.1.4,,,,,,,,,
,Family. Representative Entry is ,3TUT,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,GOL:A:341,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TV1,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:B:851,invalid,,,,,[Cl-],
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,GOL:A:951,invalid,,,,,C(C(CO)O)O,
,,,PEG:B:991,invalid,,,,,C(COCCO)O,
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1QMH,,,,,,,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DTO:B:402,invalid,,,,,C([C@H]([C@@H](CSO)O)O)S,
,,3TUX,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TW3,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:340,Part of Protein,,,,,[Co+2],
,,,CO:A:341,Part of Protein,,,,,[Co+2],
,,,CO:A:501,Part of Protein,,,,,[Co+2],
,,,SO4:A:342,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.26,,,,,,,,,
,Family. Representative Entry is ,5FMD,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN BMA MAN:C:1,invalid,,,,,,
,,,GLC FRU FRU FRU:I:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU FRU:J:1,valid,,,,,O(CC1(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(CO)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,5FK7,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:H:1,invalid,,,,,,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLC FRU FRU:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,NAG NAG MAN BMA MAN MAN MAN MAN MAN:I:1,invalid,,,,,,
,,5FMB,,,,,,,
,,,NAG:A:1693,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1668,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1689,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1686,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1689,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1668,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1696,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1700,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1694,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1685,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1697,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1687,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1690,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1687,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1697,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1690,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1692,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1688,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1693,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1686,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1688,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1695,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1692,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1691,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1694,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:B:1667,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1667,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,FRU:B:1666,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:1666,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN BMA MAN:C:1,invalid,,,,,,
,,5FKC,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:G:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,FRU GLC GLA:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG NAG MAN BMA MAN MAN MAN MAN MAN MAN:H:1,invalid,,,,,,
,,5FIX,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GLC FRU:L:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:I:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:J:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:K:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,5FK8,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:H:1,invalid,,,,,,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,GLC GLC FRU:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC GLC FRU:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5FKB,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:G:1,invalid,,,,,,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,GLC FRU FRU:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,GLC FRU FRU:J:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN BMA MAN MAN MAN MAN MAN MAN:H:1,invalid,,,,,,
,,5FMC,,,,,,,
,,,NAG NAG BMA MAN MAN MAN:F:1,invalid,,,,,,
,,,B3P:B:1001,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,B3P:A:1001,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,NAG:A:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1644,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1512,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1555,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1471,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1125,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1215,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1357,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1539,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1052,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1242,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1236,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1444,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,FRU:A:1000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:1000,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NAG NAG BMA MAN MAN MAN MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,5GOO,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,FRU:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:C:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,1W2T,,,,,,,
,,,CIT:A:1433,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:B:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1434,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1433,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU GLA:J:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,,,GLC FRU GLA:L:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,,,GLC FRU GLA:I:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,,,GLC FRU GLA:K:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,,,GLC FRU GLA:G:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,,,GLC FRU GLA:H:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)(CO)O1,
,Family. Representative Entry is ,3VSS,,,,,,,
,,,FRU:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:603,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:A:604,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,7BWC,,,,,,,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3PIJ,,,,,,,
,,,CL:A:528,invalid,,,,,[Cl-],
,,,CL:A:529,invalid,,,,,[Cl-],
,,,CL:B:528,invalid,,,,,[Cl-],
,,,CL:B:529,invalid,,,,,[Cl-],
,,,CL:B:530,invalid,,,,,[Cl-],
,,,FRU:A:527,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:527,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,Family. Representative Entry is ,5GOP,,,,,,,
,,,FRU:B:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3KF3,,,,,,,
,,,FRU:A:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,FRU:B:600,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NAG:A:1001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:4001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:4001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:5001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3U14,,,,,,,
,,,FRU FRU FRU FRU FRU FRU:D:1,valid,,,,,O(CC1(OCC2(O[C-]=C3C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(COC3(CO)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,FRU FRU FRU FRU FRU FRU:C:1,valid,,,,,O(CC1(OCC2(O[C-]=C3C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1)C1(COC2(COC3(CO)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,NAG:A:1072,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1219,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1334,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1394,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1126,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1219,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1334,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1394,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5Z74,,,,,,,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
2.7.1.38,,,,,,,,,
,Family. Representative Entry is ,1PHK,,,,,,,
,,,ATP:A:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:382,Part of Protein,,,,,[Mn+2],
,,,MN:A:383,Part of Protein,,,,,[Mn+2],
,,1QL6,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.28,,,,,,,,,
,Family. Representative Entry is ,1JS3,,,,,,,
,,,PLP 142:A:601,valid,,,,,P(=O)(OCc1c(C=NNC(C(=O)[O-])(Cc2cc(O)c(O)cc2)C)c(O)c(C)nc1)([O-])[O-],
,,,PLP 142:B:602,valid,,,,,P(=O)(OCc1c(C=NNC(C(=O)[O-])(Cc2cc(O)c(O)cc2)C)c(O)c(C)nc1)([O-])[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.33,,,,,,,,,
,Family. Representative Entry is ,3QT6,,,,,,,
,,,2P0:A:328,valid,Ki,=,4.3,uM,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,,2P0:B:328,valid,Ki,=,4.3,uM,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,4DU8,,,,,,,
,,,2P0:A:401,valid,,,,,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,,2P0:B:401,valid,,,,,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,4DPY,,,,,,,
,,,2P0:A:401,valid,,,,,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,,2P0:B:401,valid,,,,,C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O,
,,4DPT,,,,,,,
,,,AGS:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,FM0:B:401,valid,,,,,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,4DPU,,,,,,,
,,,AGS:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,FM0:A:401,valid,,,,,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,,FM0:B:401,valid,,,,,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,3QT7,,,,,,,
,,,FM0:A:328,valid,Ki,=,49,uM,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,,FM0:B:328,valid,Ki,=,49,uM,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,4DU7,,,,,,,
,,,DP6:A:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:B:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,FMT:B:402,invalid,,,,,C(=O)O,
,,3QT8,,,,,,,
,,,FM0:A:328,valid,,,,,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,,FM0:B:328,valid,,,,,C(CO[P@](=O)(O)OP(=O)(O)O)[C@@](CC(=O)O)(CF)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5GMD,,,,,,,
,,,AGS:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DP6:A:1001,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,5GME,,,,,,,
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DP6:A:1001,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,Family. Representative Entry is ,6N0X,,,,,,,
,,,PMV:D:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:F:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:A:1001,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:C:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:B:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,,PMV:E:401,valid,,,,,C[C@@](CCOP(=O)(O)O)(CC(=O)O)O,
,,6N0Z,,,,,,,
,,,DP6:F:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:A:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:E:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:B:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:D:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:C:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,6N0Y,,,,,,,
,,,DP6:F:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:A:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:E:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:B:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:D:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,DP6:C:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,Family. Representative Entry is ,6E2W,,,,,,,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,CO:A:405,Part of Protein,,,,,[Co+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DP6:A:403,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,6E2V,,,,,,,
,,,BEF:A:404,valid,,,,,[Be-](F)(F)F,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,DP6:A:403,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,,ADP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6E2U,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ACP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,DP6:A:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,6E2Y,,,,,,,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO:A:404,Part of Protein,,,,,[Co+2],
,,,CO:A:405,Part of Protein,,,,,[Co+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DP6:A:403,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,,5V2L,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6E2T,,,,,,,
,,,DP6:A:401,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
,Family. Representative Entry is ,6N10,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DP6:A:501,valid,,,,,C[C@@](CCO[P@@](=O)(O)OP(=O)(O)O)(CC(=O)O)O,
3.6.1.4,,,,,,,,,
,Family. Representative Entry is ,4IHQ,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,MG:C:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,invalid,,,,,[Mg+2],
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.11.1.19,,,,,,,,,
,Family. Representative Entry is ,4UZI,,,,,,,
,,,ACT:B:1467,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1464,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1463,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1461,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1463,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1462,invalid,,,,,CC(=O)[O-],
,,,GOA:B:1466,invalid,,,,,C(C(=O)O)O,
,,,HEM:A:1449,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1449,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OXD:A:1464,invalid,,,,,C(=O)(C(=O)O)O,
,,,MPD:B:1459,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1458,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1457,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1461,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1457,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:1460,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1458,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,K:A:1465,Part of Protein,,,,,[K+],
,,,K:B:1465,Part of Protein,,,,,[K+],
,,,NAG:A:1452,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1453,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1454,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1453,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,IMD:B:1455,valid,Ki,=,5.78,mM,c1c[nH+]c[nH]1,
,,,IMD:A:1454,valid,Ki,=,5.78,mM,c1c[nH+]c[nH]1,
,,,IMD:A:1455,invalid,Ki,=,5.78,mM,c1c[nH+]c[nH]1,
,,,IMD:B:1456,valid,Ki,=,5.78,mM,c1c[nH+]c[nH]1,
,,,FMT:A:1459,invalid,,,,,C(=O)O,
,,,EPE:B:1462,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1460,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MRD:A:1456,invalid,,,,,C[C@H](CC(C)(C)O)O,
1.13.11.1,,,,,,,,,
,Family. Representative Entry is ,3I51,,,,,,,
,,,45C:A:1,valid,Ki,=,0.02,uM,c1c(c(cc(c1Cl)Cl)O)O,
,,,6PL:A:282,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3HJQ,,,,,,,
,,,6PL:A:282,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,,MBD:A:283,valid,Ki,=,6.5,uM,Cc1cccc(c1O)O,
,,3HKP,,,,,,,
,,,6PL:A:283,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,DHB:A:282,valid,Ki,=,310,uM,c1cc(c(cc1C(=O)O)O)O,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3I4V,,,,,,,
,,,3CE:A:282,valid,Ki,=,0.7,uM,c1cc(c(c(c1)Cl)O)O,
,,,6PL:A:283,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3HHY,,,,,,,
,,,6PL:A:285,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,CAQ:A:282,valid,Ki,=,3,uM,c1ccc(c(c1)O)O,
,,,CAQ:A:283,valid,Ki,=,3,uM,c1ccc(c(c1)O)O,
,,,CAQ:A:284,valid,Ki,=,3,uM,c1ccc(c(c1)O)O,
,,,CL:A:287,invalid,,,,,[Cl-],
,,,CL:A:288,invalid,,,,,[Cl-],
,,,CL:A:289,invalid,,,,,[Cl-],
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,,MG:A:286,invalid,,,,,[Mg+2],
,,3HJ8,,,,,,,
,,,4CL:A:282,valid,Ki,=,1.5,uM,c1cc(c(cc1Cl)O)O,
,,,6PL:A:283,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3HGI,,,,,,,
,,,6PL:A:283,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,BEZ:A:284,valid,,,,,c1ccc(cc1)C(=O)O,
,,,CO3:A:282,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3HJS,,,,,,,
,,,6PL:A:284,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,,MCT:A:283,valid,Ki,=,4,uM,Cc1ccc(c(c1)O)O,
,,,MG:A:282,invalid,,,,,[Mg+2],
,,3I4Y,,,,,,,
,,,35C:A:1,valid,Ki,=,0.09,uM,c1c(cc(c(c1O)O)Cl)Cl,
,,,6PL:A:282,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,3HHX,,,,,,,
,,,6PL:A:282,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,FE:A:281,Part of Protein,,,,,[Fe+3],
,,,PYG:A:283,valid,Ki,=,4.5,uM,c1cc(c(c(c1)O)O)O,
,Family. Representative Entry is ,1DMH,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,FE:B:400,Part of Protein,,,,,[Fe+3],
,,,LIO:A:1999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,,,LIO:B:999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,,,MCT:A:401,valid,,,,,Cc1ccc(c(c1)O)O,
,,,MCT:B:401,valid,,,,,Cc1ccc(c(c1)O)O,
,,1DLQ,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,FE:B:400,Part of Protein,,,,,[Fe+3],
,,,LIO:A:1999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,,,LIO:B:999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,,1DLT,,,,,,,
,,,CAQ:A:401,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:B:401,valid,,,,,c1ccc(c(c1)O)O,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,FE:B:400,Part of Protein,,,,,[Fe+3],
,,,LIO:A:1999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,,,LIO:B:999,valid,,,,,CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC,
,Family. Representative Entry is ,2BOY,,,,,,,
,,,BHO:A:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:B:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:C:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:D:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:E:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:F:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:G:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,BHO:H:1256,valid,,,,,c1ccc(cc1)C(=O)NO,
,,,FE:A:1255,Part of Protein,,,,,[Fe+3],
,,,FE:B:1255,Part of Protein,,,,,[Fe+3],
,,,FE:C:1255,Part of Protein,,,,,[Fe+3],
,,,FE:D:1255,Part of Protein,,,,,[Fe+3],
,,,FE:E:1255,Part of Protein,,,,,[Fe+3],
,,,FE:F:1255,Part of Protein,,,,,[Fe+3],
,,,FE:G:1255,Part of Protein,,,,,[Fe+3],
,,,FE:H:1255,Part of Protein,,,,,[Fe+3],
,,,LPP:A:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:B:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:C:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:D:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:E:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:F:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:G:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:H:1257,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,MG:A:1258,invalid,,,,,[Mg+2],
,,,MG:A:1259,invalid,,,,,[Mg+2],
,,,MG:B:1258,invalid,,,,,[Mg+2],
,,,MG:B:1259,invalid,,,,,[Mg+2],
,,,MG:B:1260,invalid,,,,,[Mg+2],
,,,MG:C:1258,invalid,,,,,[Mg+2],
,,,MG:C:1259,invalid,,,,,[Mg+2],
,,,MG:C:1260,invalid,,,,,[Mg+2],
,,,MG:C:1261,invalid,,,,,[Mg+2],
,,,MG:D:1258,invalid,,,,,[Mg+2],
,,,MG:D:1259,invalid,,,,,[Mg+2],
,,,MG:E:1258,invalid,,,,,[Mg+2],
,,,MG:F:1258,invalid,,,,,[Mg+2],
,,,MG:G:1258,invalid,,,,,[Mg+2],
,,,MG:H:1258,invalid,,,,,[Mg+2],
,,,MG:H:1259,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1S9A,,,,,,,
,,,BEZ:A:306,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:307,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,HGP:A:304,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,HGP:B:303,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,TAM:A:305,invalid,,,,,C(CO)C(CCO)(CCO)N,
6.1.1.4,,,,,,,,,
,Family. Representative Entry is ,2XGT,,,,,,,
,,,GOL:A:1549,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1551,Part of Protein,,,,,[Mg+2],
,,,MG:B:1551,Part of Protein,,,,,[Mg+2],
,,,NSS:A:1550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N,
,,,NSS:B:1550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N,
,,2XTI,,,,,,,
,,,ATP MG:B:1549,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,MG:A:1551,Part of Protein,,,,,[Mg+2],
,,,MG:A:1553,Part of Protein,,,,,[Mg+2],
,,,MG:B:1550,Part of Protein,,,,,[Mg+2],
,,,MG:B:1552,Part of Protein,,,,,[Mg+2],
,,,NB8:A:1549,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)NO)N)O)O)N,
,,,POP MG:A:1550,invalid,,,,,,
,Family. Representative Entry is ,5FOM,,,,,,,
,,,A2H:A:1542,valid,Kd,=,9.8,uM,[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-],
,,,PO4:A:1543,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FOL,,,,,,,
,,,SO8:A:1544,valid,Kd,=,215,uM,CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,PO4:A:1543,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1542,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5FOG,,,,,,,
,,,K:C:1545,Part of Protein,,,,,[K+],
,,,K:D:1543,Part of Protein,,,,,[K+],
,,,VRT:D:1542,valid,Kd,=,213,uM,CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,VRT:B:1542,valid,Kd,=,213,uM,CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,VRT:A:1542,valid,Kd,=,213,uM,CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,VRT:C:1542,valid,Kd,=,213,uM,CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,EDO:C:1543,invalid,,,,,C(CO)O,
,,,EDO:B:1543,invalid,,,,,C(CO)O,
,,,EDO:A:1543,invalid,,,,,C(CO)O,
,,,EDO:C:1544,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2AJH,,,,,,,
,,,MET:A:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:601,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6YKL,,,,,,,
,,,OVH:A:1101,valid,Ki,=,2.48,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3)O)O)N,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,ZN:A:1105,Part of Protein,,,,,[Zn+2],
,,6YKW,,,,,,,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,ZN:A:1105,Part of Protein,,,,,[Zn+2],
,,,OVZ:A:1103,valid,Ki,=,1260.73,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccccc3)O)O)N,
,,6YKS,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,OVT:A:1201,valid,Ki,=,108.35,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3ccccc3)O)O)N,
,,,MG:A:1206,invalid,,,,,[Mg+2],
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,6Q8B,,,,,,,
,,,L3U:A:901,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)O)N,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,MG:A:905,invalid,,,,,[Mg+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,6YKT,,,,,,,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,MG:A:905,invalid,,,,,[Mg+2],
,,,OVN:A:901,valid,Ki,=,387.66,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCCCO)O)O)N,
,,,ZN:A:904,Part of Protein,,,,,[Zn+2],
,,6YKU,,,,,,,
,,,MG:A:1106,invalid,,,,,[Mg+2],
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,OVB:A:1102,valid,Ki,=,17.83,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N,
,,6YKV,,,,,,,
,,,MG:A:906,invalid,,,,,[Mg+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,OVQ:A:901,valid,Ki,=,31.62,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3)O)O)N,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,7AP2,,,,,,,
,,,ZN:A:1204,Part of Protein,,,,,[Zn+2],
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,MG:A:1205,invalid,,,,,[Mg+2],
,,,RRW:A:1203,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2c(cc(c3)CO)N)O)O)N,
,,6YKO,,,,,,,
,,,OW5:A:1101,valid,Ki,=,5.51,nM,CCCCCc1ccc(cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,ZN:A:1104,Part of Protein,,,,,[Zn+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,6YKX,,,,,,,
,,,ZN:A:1104,Part of Protein,,,,,[Zn+2],
,,,OW2:A:1101,valid,Ki,=,182.35,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N,
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,6Q8A,,,,,,,
,,,HQ5:A:901,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N,
,,,MG:A:903,invalid,,,,,[Mg+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,6Q8C,,,,,,,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,MG:A:905,invalid,,,,,[Mg+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,LSU:A:901,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)N,
,,6YKK,,,,,,,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,OVK:A:1101,valid,Ki,=,30.94,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O)O)N,
,,,ZN:A:1106,Part of Protein,,,,,[Zn+2],
,,7A0P,,,,,,,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,MG:A:1206,invalid,,,,,[Mg+2],
,,,QTW:A:1205,valid,Ki,=,31.28,nM,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)c3ccccc3)O)O)N,
,,,ZN:A:1202,Part of Protein,,,,,[Zn+2],
,,6Q89,,,,,,,
,,,LSS:A:901,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,ZN:A:903,Part of Protein,,,,,[Zn+2],
,,,MG:A:904,invalid,,,,,[Mg+2],
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,6YKQ,,,,,,,
,,,MG:A:1106,invalid,,,,,[Mg+2],
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,OVW:A:1101,valid,Ki,=,52.36,nM,CCCCCCCCc1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N,
,Family. Representative Entry is ,7BZJ,,,,,,,
,,,FGX:A:501,valid,,,,,[B-]12(CCc3c1cc(cc3)[C@@H](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O)O,
,,4K47,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WMP:A:501,valid,,,,,[B-]12(c3cc(ccc3CO1)[C@@H](c4ccccc4)O)O[C@H]5[C@@H](O[C@H]([C@@H]5O2)n6cnc7c6ncnc7N)COP(=O)(O)O,
,Family. Representative Entry is ,5AGR,,,,,,,
,,,A52:A:1514,valid,,,,,[B-]12(c3c(cccc3OCC)[C@H](O1)CN)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-],
,,,EDO:A:1515,invalid,,,,,C(CO)O,
,,5AGT,,,,,,,
,,,A2H:A:1514,valid,,,,,[B-]12(c3c(ccc(c3[C@H](O1)CN)Cl)OCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)([O-])[O-],
,,,GOL:A:1515,invalid,,,,,C(C(CO)O)O,
,,,MET:A:1516,invalid,,,,,CSCC[C@@H](C(=O)O)N,
,,5AGS,,,,,,,
,,,MET:A:1515,invalid,,,,,CSCC[C@@H](C(=O)O)N,
,,,38Y:A:1514,valid,,,,,B1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc4c3ncnc4N)COP(=O)(O)O)O[C@H](CN)c5cc(ccc5Br)OCC,
,Family. Representative Entry is ,2WFG,,,,,,,
,,,ZZB:A:1529,valid,ic50,=,38,uM,[B@@-]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O,
,,5AGI,,,,,,,
,,,ANZ:A:600,valid,,,,,[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O,
,,,GOL:A:1533,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1532,invalid,,,,,C(C(CO)O)O,
,,5AGJ,,,,,,,
,,,ANZ:A:1817,valid,,,,,[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O,
,Family. Representative Entry is ,2V0C,,,,,,,
,,,ANZ:A:1817,valid,,,,,[B@@-]12(c3ccc(cc3CO1)F)O[C@@H]4[C@H](O[C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O)O,
,,,LEU LMS:A:1501,valid,,,,,S(OC(=O)C([NH3+])CC(C)C)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)([O-])#N,
,,,SO4:A:1818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1822,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1815,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1816,Part of Protein,,,,,[Zn+2],
,,1OBC,,,,,,,
,,,LEU LMS:A:1814,valid,,,,,S(OC(=O)C([NH3+])CC(C)C)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)([O-])#N,
,,,NVA 2AD:A:1815,valid,,,,,O=C(NC1C(O)C(CO)OC1n1c2ncnc(N)c2nc1)C([NH3+])CCC,
,,,ZN:A:1812,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1813,Part of Protein,,,,,[Zn+2],
,,1H3N,,,,,,,
,,,LEU LMS:A:1815,valid,,,,,S(OC(=O)C([NH3+])CC(C)C)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)([O-])#N,
,,,SO4:A:1819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1820,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1821,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1817,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1818,Part of Protein,,,,,[Zn+2],
,,1OBH,,,,,,,
,,,NVA LMS:A:1816,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)NC(=O)C([NH3+])CCC,
,,,NVA LMS:A:1818,valid,,,,,S(=O)(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)NC(=O)C([NH3+])CCC,
,,,SO4:A:1501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6LPF,,,,,,,
,,,VRT:B:1103,valid,,,,,CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,,LSS:B:1101,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,LSS:A:1200,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,GOL:B:1102,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3ZIU,,,,,,,
,,,GOL:A:1643,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1641,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1579,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1578,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1577,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1642,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1580,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1639,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1581,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1640,invalid,,,,,C(C(CO)O)O,
,,,LSS:B:1576,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,,LSS:A:1638,valid,,,,,CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
3.7.1.5,,,,,,,,,
,Family. Representative Entry is ,6FOG,,,,,,,
,,,OXL:D:303,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:G:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:H:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:302,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:F:303,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:G:303,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:H:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:G:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:F:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:F:304,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
2.7.1.15,,,,,,,,,
,Family. Representative Entry is ,6A8A,,,,,,,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:B:408,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:407,invalid,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:B:404,invalid,,,,,[Na+],
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,6A8B,,,,,,,
,,,NA:B:408,Part of Protein,,,,,[Na+],
,,,NA:A:408,invalid,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,NA:A:410,Part of Protein,,,,,[Na+],
,,,NA:B:407,invalid,,,,,[Na+],
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ACP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6A8C,,,,,,,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,ADP:A:411,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:511,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:503,Part of Protein,,,,,[Na+],
,,,NA:A:405,invalid,,,,,[Na+],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:407,invalid,,,,,[Na+],
,,,NA:B:504,invalid,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4XDA,,,,,,,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:C:403,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:D:403,Part of Protein,,,,,[Na+],
,,,RIB:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:C:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:D:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,4XCK,,,,,,,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CS:D:402,invalid,,,,,[Cs+],
,,,CS:B:403,invalid,,,,,[Cs+],
,,,CS:A:403,invalid,,,,,[Cs+],
,,,CS:C:403,invalid,,,,,[Cs+],
,,,RIB:A:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:C:401,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,1RKD,,,,,,,
,,,ADP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RIB:A:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,1GQT,,,,,,,
,,,ACP:A:1310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:1310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:1311,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CS:A:1309,invalid,,,,,[Cs+],
,,,CS:B:1309,invalid,,,,,[Cs+],
,,,CS:C:1310,invalid,,,,,[Cs+],
,,,CS:D:1309,invalid,,,,,[Cs+],
,,,RIB:A:1311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:B:1311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:C:1312,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:D:1310,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,1RKS,,,,,,,
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RIB:A:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,1RK2,,,,,,,
,,,ADP:A:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:310,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:A:315,valid,,,,,F[Al-](F)(F)F,
,,,ALF:B:315,valid,,,,,F[Al-](F)(F)F,
,,,ALF:C:315,valid,,,,,F[Al-](F)(F)F,
,,,ALF:D:315,valid,,,,,F[Al-](F)(F)F,
,,,MG:A:320,Part of Protein,,,,,[Mg+2],
,,,MG:B:320,Part of Protein,,,,,[Mg+2],
,,,MG:C:320,Part of Protein,,,,,[Mg+2],
,,,MG:D:320,Part of Protein,,,,,[Mg+2],
,,,RIB:A:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:B:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:C:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,,RIB:D:311,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,6ILS,,,,,,,
,,,NA:B:403,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,RIB:B:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,,6ILT,,,,,,,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,invalid,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:B:404,Part of Protein,,,,,[Na+],
3.5.1.24,,,,,,,,,
,Family. Representative Entry is ,2BJF,,,,,,,
,,,DXC:A:330,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,GOL:A:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,TAU:A:331,invalid,,,,,C(CS(=O)(=O)O)N,
3.5.3.3,,,,,,,,,
,Family. Representative Entry is ,1CHM,,,,,,,
,,,CMS:A:404,valid,Ki,=,0.22,mM,CN(CC(=O)O)C(=O)N,
,,,CMS:B:404,valid,Ki,=,0.22,mM,CN(CC(=O)O)C(=O)N,
3.1.21.-,,,,,,,,,
,Family. Representative Entry is ,3M3E,,,,,,,
,,,A2G NPO GAL:H:1,valid,Kd,=,37.45,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,A2G NPO GAL:E:1,valid,Kd,=,37.45,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,A2G NPO GAL:G:1,valid,Kd,=,37.45,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,A2G NPO GAL:F:1,valid,Kd,=,37.45,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,2ZGN,,,,,,,
,,,GAL:B:998,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3M3O,,,,,,,
,,,BTB:A:159,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,A2G NPO GAL:B:1,valid,Kd,=,250.63,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,3M3Q,,,,,,,
,,,BGC GAL SIA NGA GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,3AFK,,,,,,,
,,,A2G THR GAL:C:1,valid,Kd,=,251.89,uM,O=C([O-])C(N)C(OC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1)C,
,,,A2G THR GAL:D:1,valid,Kd,=,251.89,uM,O=C([O-])C(N)C(OC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1)C,
,,3M3C,,,,,,,
,,,SO4:B:159,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A2G NPO GAL:C:1,valid,Kd,=,86.21,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,,A2G NPO GAL:D:1,valid,Kd,=,86.21,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1Oc1ccc(N(O)O)cc1)C,
,,2ZGM,,,,,,,
,,,SO4:A:168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,2ZGO,,,,,,,
,,,BGC GAL:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
2.7.4.22,,,,,,,,,
,Family. Representative Entry is ,4A7W,,,,,,,
,,,GOL:A:1242,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1242,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:1241,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1241,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4A7X,,,,,,,
,,,UDP:B:1241,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1241,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:1241,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:E:1241,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2J4K,,,,,,,
,,,CD:A:228,invalid,,,,,[Cd+2],
,,,CD:A:229,invalid,,,,,[Cd+2],
,,,CD:A:230,invalid,,,,,[Cd+2],
,,,CD:B:228,invalid,,,,,[Cd+2],
,,,CD:B:229,invalid,,,,,[Cd+2],
,,,CD:B:230,invalid,,,,,[Cd+2],
,,,CD:B:231,invalid,,,,,[Cd+2],
,,,CD:B:232,invalid,,,,,[Cd+2],
,,,CD:B:233,invalid,,,,,[Cd+2],
,,,CD:B:234,invalid,,,,,[Cd+2],
,,,CD:C:228,invalid,,,,,[Cd+2],
,,,CD:C:229,invalid,,,,,[Cd+2],
,,,CD:C:231,invalid,,,,,[Cd+2],
,,,CD:D:228,invalid,,,,,[Cd+2],
,,,CD:E:228,invalid,,,,,[Cd+2],
,,,CD:E:229,invalid,,,,,[Cd+2],
,,,CD:F:228,invalid,,,,,[Cd+2],
,,,CD:F:229,invalid,,,,,[Cd+2],
,,,MG:A:231,invalid,,,,,[Mg+2],
,,,U5P:A:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:E:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:F:227,valid,Kd,=,14,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,2J4J,,,,,,,
,,,4TC:F:227,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O)O)O)N,
,,,ACP:A:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:C:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:E:228,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CO:A:229,Part of Protein,,,,,[Co+2],
,,,CO:A:230,Part of Protein,,,,,[Co+2],
,,,CO:B:229,Part of Protein,,,,,[Co+2],
,,,CO:B:230,Part of Protein,,,,,[Co+2],
,,,CO:C:229,Part of Protein,,,,,[Co+2],
,,,CO:E:229,Part of Protein,,,,,[Co+2],
,,,MG:D:229,Part of Protein,,,,,[Mg+2],
,,,MG:F:229,Part of Protein,,,,,[Mg+2],
,,,U5P:A:227,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:227,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:227,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:227,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:E:227,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
1.14.11.19,,,,,,,,,
,Family. Representative Entry is ,1GP6,,,,,,,
,,,DH2:A:385,valid,,,,,c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,FE2:A:390,Part of Protein,,,,,[Fe+2],
,,,MES:A:375,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:376,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,QUE:A:380,valid,,,,,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,SIN:A:370,valid,,,,,C(CC(=O)O)C(=O)O,
,,1GP4,,,,,,,
,,,AKG:A:370,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MES:A:376,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,1GP5,,,,,,,
,,,AKG:A:370,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,DH2:A:385,valid,,,,,c1cc(c(cc1[C@H]2[C@@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,DQH:A:380,valid,,,,,c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,FE:A:390,Part of Protein,,,,,[Fe+3],
,,,MES:A:375,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:376,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2BRT,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1350,Part of Protein,,,,,[Fe+2],
,,,NAR:A:1352,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
1.14.11.44,,,,,,,,,
,Family. Representative Entry is ,5BK9,,,,,,,
,,,VVO:B:301,invalid,,,,,O=[V+2],
,,,VVO:A:302,invalid,,,,,O=[V+2],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SIN:A:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,5BKC,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,O0D:A:503,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl,
,,5BKB,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,FTV:A:503,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1Cl)Cl,
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,PEG:B:504,invalid,,,,,C(COCCO)O,
,,5BKD,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,RCF:B:503,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N,
,,,RCF:A:503,valid,,,,,C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N,
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
1.18.6.1,,,,,,,,,
,Family. Representative Entry is ,1QH8,,,,,,,
,,,CFM:A:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CL:B:2902,invalid,,,,,[Cl-],
,,,CL:D:2901,invalid,,,,,[Cl-],
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,EDO:A:2909,invalid,,,,,C(CO)O,
,,,EDO:A:2910,invalid,,,,,C(CO)O,
,,,EDO:A:2911,invalid,,,,,C(CO)O,
,,,EDO:A:2912,invalid,,,,,C(CO)O,
,,,EDO:A:2915,invalid,,,,,C(CO)O,
,,,EDO:B:2903,invalid,,,,,C(CO)O,
,,,EDO:B:2904,invalid,,,,,C(CO)O,
,,,EDO:B:2905,invalid,,,,,C(CO)O,
,,,EDO:B:2906,invalid,,,,,C(CO)O,
,,,EDO:B:2907,invalid,,,,,C(CO)O,
,,,EDO:B:2913,invalid,,,,,C(CO)O,
,,,EDO:C:2914,invalid,,,,,C(CO)O,
,,,EDO:D:2908,invalid,,,,,C(CO)O,
,,,EDO:D:2916,invalid,,,,,C(CO)O,
,,,EDO:D:2917,invalid,,,,,C(CO)O,
,,,EDO:D:2918,invalid,,,,,C(CO)O,
,,,EDO:D:2919,invalid,,,,,C(CO)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3006,Part of Protein,,,,,[Mg+2],
,,,MG:D:3007,Part of Protein,,,,,[Mg+2],
,,1QGU,,,,,,,
,,,CFM:A:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CL:B:2772,invalid,,,,,[Cl-],
,,,CL:D:2771,invalid,,,,,[Cl-],
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,EDO:A:2774,invalid,,,,,C(CO)O,
,,,EDO:A:2775,invalid,,,,,C(CO)O,
,,,EDO:A:2776,invalid,,,,,C(CO)O,
,,,EDO:A:2777,invalid,,,,,C(CO)O,
,,,EDO:A:2780,invalid,,,,,C(CO)O,
,,,EDO:B:2778,invalid,,,,,C(CO)O,
,,,EDO:B:2781,invalid,,,,,C(CO)O,
,,,EDO:B:2782,invalid,,,,,C(CO)O,
,,,EDO:B:2783,invalid,,,,,C(CO)O,
,,,EDO:C:2779,invalid,,,,,C(CO)O,
,,,EDO:D:2773,invalid,,,,,C(CO)O,
,,,EDO:D:2784,invalid,,,,,C(CO)O,
,,,EDO:D:2785,invalid,,,,,C(CO)O,
,,,EDO:D:2786,invalid,,,,,C(CO)O,
,,,EDO:D:2787,invalid,,,,,C(CO)O,
,,,EDO:D:2788,invalid,,,,,C(CO)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3006,Part of Protein,,,,,[Mg+2],
,,,MG:D:3007,Part of Protein,,,,,[Mg+2],
,,1QH1,,,,,,,
,,,CFM:A:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:503,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CL:B:2771,invalid,,,,,[Cl-],
,,,CL:D:2772,invalid,,,,,[Cl-],
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,EDO:A:2774,invalid,,,,,C(CO)O,
,,,EDO:A:2775,invalid,,,,,C(CO)O,
,,,EDO:A:2776,invalid,,,,,C(CO)O,
,,,EDO:A:2777,invalid,,,,,C(CO)O,
,,,EDO:B:2778,invalid,,,,,C(CO)O,
,,,EDO:B:2779,invalid,,,,,C(CO)O,
,,,EDO:B:2781,invalid,,,,,C(CO)O,
,,,EDO:C:2782,invalid,,,,,C(CO)O,
,,,EDO:D:2773,invalid,,,,,C(CO)O,
,,,EDO:D:2780,invalid,,,,,C(CO)O,
,,,EDO:D:2783,invalid,,,,,C(CO)O,
,,,EDO:D:2784,invalid,,,,,C(CO)O,
,,,EDO:D:2785,invalid,,,,,C(CO)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:A:3001,Part of Protein,,,,,[Mg+2],
,,,MG:B:3002,Part of Protein,,,,,[Mg+2],
,,,MG:B:3003,Part of Protein,,,,,[Mg+2],
,,,MG:B:3004,Part of Protein,,,,,[Mg+2],
,,,MG:C:3005,Part of Protein,,,,,[Mg+2],
,,,MG:D:3006,Part of Protein,,,,,[Mg+2],
,,,MG:D:3007,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3U7Q,,,,,,,
,,,1CL:B:6498,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,1CL:D:7498,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,CA:B:6492,Part of Protein,,,,,[Ca+2],
,,,CA:B:7492,Part of Protein,,,,,[Ca+2],
,,,CLF:B:6499,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:7499,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:6494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:7494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,ICS:A:6496,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:7496,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,IMD:A:493,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:494,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:524,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:525,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:493,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:494,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:524,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:525,invalid,,,,,c1c[nH+]c[nH]1,
,,,MG:B:526,invalid,,,,,[Mg+2],
,,,MG:D:526,invalid,,,,,[Mg+2],
,,4ND8,,,,,,,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,1CL:A:503,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,1CL:C:503,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,FE:D:601,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,2MIN,,,,,,,
,,,CA:B:524,Part of Protein,,,,,[Ca+2],
,,,CA:B:525,Part of Protein,,,,,[Ca+2],
,,,CFM:A:496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CLF:A:498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,5BVG,,,,,,,
,,,SE:D:604,invalid,,,,,[SeH2],
,,,SE:B:605,invalid,,,,,[SeH2],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,IMD:B:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,ICG:A:502,invalid,,,,,C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12,
,,,ICG:C:502,invalid,,,,,C12345[Fe@]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)[Se][Fe]52[S]8[Mo]9[S]12,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:C:504,invalid,,,,,[Cl-],
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:506,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,FE2:B:604,Part of Protein,,,,,[Fe+2],
,,,FE2:B:606,Part of Protein,,,,,[Fe+2],
,,6O7Q,,,,,,,
,,,CLF:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,ICS:A:503,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,,FE:D:602,Part of Protein,,,,,[Fe+3],
,,5VQ4,,,,,,,
,,,CLF:C:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,6OP4,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,MG:D:604,invalid,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,CLF:C:504,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6BBL,,,,,,,
,,,ICS:A:504,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:503,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,MG:B:602,invalid,,,,,[Mg+2],
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,C2H:A:501,invalid,,,,,C#C,
,,,C2H:C:501,invalid,,,,,C#C,
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,,FE:B:603,Part of Protein,,,,,[Fe+3],
,,,HCA:C:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:503,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,1CL:A:505,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,1CL:C:505,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,3MIN,,,,,,,
,,,CA:B:524,Part of Protein,,,,,[Ca+2],
,,,CA:D:524,Part of Protein,,,,,[Ca+2],
,,,CFM:A:496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CLF:B:525,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:525,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,6VXT,,,,,,,
,,,MO:C:605,Part of Protein,,,,,[Mo],
,,,MO:C:604,invalid,,,,,[Mo],
,,,MO:A:606,Part of Protein,,,,,[Mo],
,,,MO:C:606,invalid,,,,,[Mo],
,,,MO:C:603,invalid,,,,,[Mo],
,,,MO:A:607,invalid,,,,,[Mo],
,,,MO:A:604,invalid,,,,,[Mo],
,,,MO:A:603,Part of Protein,,,,,[Mo],
,,,H2S:A:605,invalid,,,,,S,
,,,H2S:D:601,invalid,,,,,S,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,CLF:A:608,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:607,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,ICS:A:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:606,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,5BVH,,,,,,,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CMO:C:506,invalid,,,,,[C-]#[O+],
,,,CMO:A:506,invalid,,,,,[C-]#[O+],
,,,IMD:B:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,CLF:C:507,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:507,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,FE2:B:605,Part of Protein,,,,,[Fe+2],
,,,FE2:B:604,Part of Protein,,,,,[Fe+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,ICH:C:503,invalid,,,,,C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9,
,,,ICH:A:503,invalid,,,,,C12345[Fe]67[S]8[Fe]19[S]1[Fe]8[S]6[Fe]21[Se][Fe]31[S]2[Fe]4([Se]7)[S]3[Fe]5([S]1[Mo]32)[Se]9,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,6OP1,,,,,,,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,ICS CMO:C:502,invalid,,,,,,
,,,ICS CMO:A:502,invalid,,,,,,
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:606,Part of Protein,,,,,[Ca+2],
,,,MG:D:605,invalid,,,,,[Mg+2],
,,,MG:D:604,invalid,,,,,[Mg+2],
,,,MG:A:507,Part of Protein,,,,,[Mg+2],
,,,MG:A:506,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,CLF:A:508,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6OP3,,,,,,,
,,,IMD:D:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:505,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:601,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CA:B:607,Part of Protein,,,,,[Ca+2],
,,,CA:C:506,invalid,,,,,[Ca+2],
,,,CA:D:608,Part of Protein,,,,,[Ca+2],
,,,CA:D:607,Part of Protein,,,,,[Ca+2],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:D:605,invalid,,,,,[Mg+2],
,,,MG:B:604,invalid,,,,,[Mg+2],
,,,CLF:D:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,SE:A:505,invalid,,,,,[SeH2],
,,,SE:C:504,invalid,,,,,[SeH2],
,,4XPI,,,,,,,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,1CL:C:509,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,1CL:A:504,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,CA:B:609,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,TRS:D:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,6UG0,,,,,,,
,,,H2S:D:603,invalid,,,,,S,
,,,H2S:C:506,invalid,,,,,S,
,,,H2S:A:604,invalid,,,,,S,
,,,H2S:B:602,invalid,,,,,S,
,,,H2S:B:601,invalid,,,,,S,
,,,H2S:C:505,invalid,,,,,S,
,,,MO:A:605,Part of Protein,,,,,[Mo],
,,,MO:D:604,Part of Protein,,,,,[Mo],
,,,MO:C:508,Part of Protein,,,,,[Mo],
,,,MO:A:606,Part of Protein,,,,,[Mo],
,,,MO:C:509,Part of Protein,,,,,[Mo],
,,,MO:C:507,Part of Protein,,,,,[Mo],
,,,MO:B:603,Part of Protein,,,,,[Mo],
,,,MO:A:607,Part of Protein,,,,,[Mo],
,,,FE:B:607,Part of Protein,,,,,[Fe+3],
,,,FE:B:604,Part of Protein,,,,,[Fe+3],
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:601,invalid,,,,,C(C(CO)O)O,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,1CL:C:512,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,1CL:A:608,invalid,,,,,[S]12[Fe][S]3[Fe]1[S]([Fe]2)[Fe]3S45[Fe]6[S]7[Fe]4[S]8[Fe]7[S]6[Fe]58,
,,,ICZ HDZ HDZ:C:503,invalid,,,,,,
,,,PGE:B:606,invalid,,,,,C(COCCOCCO)O,
,,,ICE HDZ:A:602,invalid,,,,,,
,,6O7O,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:D:602,Part of Protein,,,,,[Fe+3],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6O7P,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:D:602,Part of Protein,,,,,[Fe+3],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6OP2,,,,,,,
,,,IMD:D:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:602,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:607,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:503,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:606,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:603,invalid,,,,,c1c[nH+]c[nH]1,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,SE:C:505,invalid,,,,,[SeH2],
,,,SE:A:505,invalid,,,,,[SeH2],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:B:605,invalid,,,,,[Mg+2],
,,,MG:D:606,invalid,,,,,[Mg+2],
,,,CLF:D:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6O7R,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:D:602,Part of Protein,,,,,[Fe+3],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,6O7M,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:D:601,Part of Protein,,,,,[Fe+3],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:C:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,1FP4,,,,,,,
,,,CA:B:524,Part of Protein,,,,,[Ca+2],
,,,CA:D:524,Part of Protein,,,,,[Ca+2],
,,,CFM:A:496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:497,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CLP:A:498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLP:C:499,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S5([Fe]2[S]3[Fe]45)S67[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:495,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,6O7L,,,,,,,
,,,FE:B:603,Part of Protein,,,,,[Fe+3],
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,5CX1,,,,,,,
,,,CLF:C:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:M:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:I:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:E:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:G:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:O:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:K:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:G:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:O:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:M:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:K:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:I:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:E:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CA:L:601,Part of Protein,,,,,[Ca+2],
,,,CA:N:601,Part of Protein,,,,,[Ca+2],
,,,CA:P:601,Part of Protein,,,,,[Ca+2],
,,,CA:F:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:H:601,Part of Protein,,,,,[Ca+2],
,,,CA:J:601,Part of Protein,,,,,[Ca+2],
,,,ICS:K:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:E:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:M:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:O:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:I:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:G:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,6O7S,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,LPJ:D:601,invalid,,,,,S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5,
,,,LPJ:B:601,invalid,,,,,S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5,
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,NA:C:503,Part of Protein,,,,,[Na+],
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:D:602,Part of Protein,,,,,[Fe+3],
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,3K1A,,,,,,,
,,,CA:B:524,Part of Protein,,,,,[Ca+2],
,,,CA:D:524,Part of Protein,,,,,[Ca+2],
,,,CFN:A:6496,Part of Protein,,,,,N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CFN:C:7496,Part of Protein,,,,,N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CLF:B:6498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:7498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,4WNA,,,,,,,
,,,XE:C:504,invalid,,,,,[Xe],
,,,XE:C:505,invalid,,,,,[Xe],
,,,XE:B:602,invalid,,,,,[Xe],
,,,XE:A:504,invalid,,,,,[Xe],
,,,XE:A:505,invalid,,,,,[Xe],
,,,XE:D:601,invalid,,,,,[Xe],
,,,CLF:C:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,FE:B:603,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,6O7N,,,,,,,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CLF:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,FE:D:601,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6N4L,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SF4:A:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2C8V,,,,,,,
,,,ATP:A:5292,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:293,Part of Protein,,,,,[Mg+2],
,,,FES:A:290,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:291,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,6N4M,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,SF4:A:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6Q93,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:F:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:F:303,invalid,,,,,[Mg+2],
,,,MG:H:302,Part of Protein,,,,,[Mg+2],
,,,MG:G:1003,Part of Protein,,,,,[Mg+2],
,,,MG:E:1003,Part of Protein,,,,,[Mg+2],
,,,MG:C:1004,invalid,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SF4:G:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:1001,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1FP6,,,,,,,
,,,ADP:A:5291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:6291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:7291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:8291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:5292,Part of Protein,,,,,[Mg+2],
,,,MG:B:6292,Part of Protein,,,,,[Mg+2],
,,,MG:C:7292,Part of Protein,,,,,[Mg+2],
,,,MG:D:8292,Part of Protein,,,,,[Mg+2],
,,,SF4:A:5290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:7290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,4WES,,,,,,,
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:502,Part of Protein,,,,,[Fe+2],
,,,CLF:A:604,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,ICS:C:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:A:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,HCA:C:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MPD:A:603,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5VQ3,,,,,,,
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:502,Part of Protein,,,,,[Fe+2],
,,,ICS:C:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:A:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,HCA:C:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:A:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,5VPW,,,,,,,
,,,FE2:B:501,Part of Protein,,,,,[Fe+2],
,,,FE2:B:502,Part of Protein,,,,,[Fe+2],
,,,ICS:C:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:A:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,HCA:C:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:A:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:603,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,4WN9,,,,,,,
,,,XE:C:603,invalid,,,,,[Xe],
,,,XE:A:603,invalid,,,,,[Xe],
,,,XE:C:604,invalid,,,,,[Xe],
,,,XE:A:604,invalid,,,,,[Xe],
,,,XE:B:501,invalid,,,,,[Xe],
,,,XE:D:501,invalid,,,,,[Xe],
,,,ICS:A:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:602,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,CLF:C:605,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:605,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,FE:B:504,Part of Protein,,,,,[Fe+3],
,,,FE:B:503,Part of Protein,,,,,[Fe+3],
,,,HCA:C:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:601,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,PRO:B:502,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:502,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,Family. Representative Entry is ,5KOH,,,,,,,
,,,HCA:C:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:C:504,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,FE:B:602,Part of Protein,,,,,[Fe+3],
,,,FE:B:601,Part of Protein,,,,,[Fe+3],
,,,MRD:A:504,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:503,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ICS:A:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,ICS:C:502,invalid,,,,,C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12,
,,,MPD:C:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,7ADR,,,,,,,
,,,CLF:E:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:D:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:E:503,invalid,,,,,C(CO)O,
,,,EDO:E:502,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:E:504,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,D6N BCT CMO:D:501,invalid,,,,,,
,,,D6N BCT CMO:A:501,invalid,,,,,,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:F:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,6FEA,,,,,,,
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,CLF:D:505,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:506,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,H2S:D:504,invalid,,,,,S,
,,,H2S:A:504,invalid,,,,,S,
,,,HCA:D:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,D6N CO3:A:502,invalid,,,,,,
,,,D6N CO3:D:501,invalid,,,,,,
,,5N6Y,,,,,,,
,,,8P8 CO3:D:502,invalid,,,,,,
,,,8P8 CO3:A:502,invalid,,,,,,
,,,MG:E:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,invalid,,,,,[Mg+2],
,,,MG:E:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,HCA:D:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:501,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,CLF:E:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:A:504,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,7ADY,,,,,,,
,,,CLF:E:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:D:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:A:502,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:E:503,invalid,,,,,C(CO)O,
,,,EDO:E:502,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:E:504,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,MG:F:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,D6N BCT:D:501,invalid,,,,,,
,,,D6N BCT:A:501,invalid,,,,,,
,,,H2S:D:504,invalid,,,,,S,
,,,H2S:A:504,invalid,,,,,S,
,Family. Representative Entry is ,4WZA,,,,,,,
,,,ACP:F:1292,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:H:1292,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:E:1291,Part of Protein,,,,,[Mg+2],
,,,MG:H:1291,Part of Protein,,,,,[Mg+2],
,,,MG:F:1291,Part of Protein,,,,,[Mg+2],
,,,MG:G:1291,Part of Protein,,,,,[Mg+2],
,,,CLF:A:1498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:C:1498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,FE:D:1492,Part of Protein,,,,,[Fe+3],
,,,FE:B:1492,Part of Protein,,,,,[Fe+3],
,,,HCA ICS:C:1494,invalid,,,,,,
,,,HCA ICS:A:1494,invalid,,,,,,
,,,SF4:E:1290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:1290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ADP:G:1292,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1292,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1M34,,,,,,,
,,,ADP:E:3091,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:3191,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:3291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:3391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:M:5091,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:N:5191,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:O:5291,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:P:5391,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ALF:E:3093,valid,,,,,F[Al-](F)(F)F,
,,,ALF:F:3193,valid,,,,,F[Al-](F)(F)F,
,,,ALF:G:3293,valid,,,,,F[Al-](F)(F)F,
,,,ALF:H:3393,valid,,,,,F[Al-](F)(F)F,
,,,ALF:M:5093,valid,,,,,F[Al-](F)(F)F,
,,,ALF:N:5193,valid,,,,,F[Al-](F)(F)F,
,,,ALF:O:5293,valid,,,,,F[Al-](F)(F)F,
,,,ALF:P:5393,valid,,,,,F[Al-](F)(F)F,
,,,CA:B:2299,Part of Protein,,,,,[Ca+2],
,,,CA:D:2099,Part of Protein,,,,,[Ca+2],
,,,CA:J:4299,Part of Protein,,,,,[Ca+2],
,,,CA:L:4099,Part of Protein,,,,,[Ca+2],
,,,CFM:A:2096,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:2296,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:I:4096,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:K:4296,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CLF:B:2098,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:2298,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:J:4098,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:L:4298,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:2094,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:2294,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:I:4094,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:K:4294,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,MG:E:3092,Part of Protein,,,,,[Mg+2],
,,,MG:F:3192,Part of Protein,,,,,[Mg+2],
,,,MG:G:3292,Part of Protein,,,,,[Mg+2],
,,,MG:H:3392,Part of Protein,,,,,[Mg+2],
,,,MG:M:5092,Part of Protein,,,,,[Mg+2],
,,,MG:N:5192,Part of Protein,,,,,[Mg+2],
,,,MG:O:5292,Part of Protein,,,,,[Mg+2],
,,,MG:P:5392,Part of Protein,,,,,[Mg+2],
,,,SF4:E:3090,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:3290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:M:5090,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:O:5290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,1G20,,,,,,,
,,,CA:B:524,Part of Protein,,,,,[Ca+2],
,,,CA:D:524,Part of Protein,,,,,[Ca+2],
,,,CFM:A:1496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CFM:C:3496,Part of Protein,,,,,S1[Fe]2[S]3[Fe]4S[Fe]5[S]6[Fe]1[S]7[Mo]6[S]5[Fe]7S[Fe]8[S]2[Fe]3[S]48,
,,,CLF:B:1498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,CLF:D:3498,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71,
,,,HCA:A:1494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,HCA:C:3494,valid,,,,,C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O,
,,,SF4:E:5290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:G:7290,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.2.1.20,,,,,,,,,
,Family. Representative Entry is ,1S7Q,,,,,,,
,,,LYS ALA VAL TYR ASN PHE ALA THR MET:C:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccc(O)cc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,1S7T,,,,,,,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:C:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,,,LYS ALA VAL PHE ASN PHE ALA THR MET:F:2,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)C(C)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)C)C(O)C)C=O)C,
,Family. Representative Entry is ,1OBB,,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3WEO,,,,,,,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,GOL:A:1012,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLC GLC GLC GLC GLC GLC AC1:D:1,valid,Ki,=,0.888,uM,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C([NH2+]C5C(O)C(O)C(O)C(CO)=C5)C(C)O4)C(CO)O3)C(CO)O2)C(CO)O1,
,,3W37,,,,,,,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1014,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,ACY:A:1009,invalid,,,,,CC(=O)O,
,,,ACY:A:1007,invalid,,,,,CC(=O)O,
,,,ACY:A:1013,invalid,,,,,CC(=O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,GLC GLC AC1:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,3WEL,,,,,,,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,GOL:A:1009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1010,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC GLC AC1:D:1,valid,Ki,=,2.66,uM,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,Family. Representative Entry is ,3L4U,,,,,,,
,,,DSK:A:4001,valid,Ki,=,0.03,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O,
,,,NAG:A:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2002,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L4W,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,MIG:A:1001,valid,Ki,=,1,uM,C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O,
,,,NAG:A:2005,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2006,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3L4X,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:2003,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NR3:A:1001,valid,Ki,=,0.13,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O,
,,3L4Y,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3005,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:2003,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2004,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NR4:A:1001,valid,Ki,=,0.1,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O,
,,,SO4:A:5001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CTT,,,,,,,
,,,3CU:A:1001,valid,Ki,=,0.45,uM,C1[C@@H]([C@H]([C@H]2[N@@]1[C@@H]([C@H]([C@@H]2O)O)CO)O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3009,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L4V,,,,,,,
,,,KTL:A:1001,valid,Ki,=,0.19,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)OS(=O)(=O)[O-])O)CO)O)O,
,,,NAG:A:2005,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2QMJ,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3009,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:X:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:4001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC AC1:B:1,valid,Ki,=,62,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,3L4T,,,,,,,
,,,BJ1:A:1001,valid,Ki,=,3.8,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)O)O,
,,,NAG:A:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2002,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3L4Z,,,,,,,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3004,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:2005,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SSD:A:1001,valid,Ki,=,0.19,uM,C1[C@H]([C@@H]([C@H]([S@@+]1C[C@@H]([C@@H](CO)OS([O-])([O-])[O-])O)CO)O)O,
,Family. Representative Entry is ,5AEE,,,,,,,
,,,CA:A:1679,Part of Protein,,,,,[Ca+2],
,,,CA:B:1678,Part of Protein,,,,,[Ca+2],
,,,CA:A:1680,Part of Protein,,,,,[Ca+2],
,,,MPD:B:1679,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:B:1681,invalid,,,,,[Cl-],
,,,NSQ:A:1681,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O,
,,,NSQ:B:1680,valid,,,,,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O,
,Family. Representative Entry is ,3WY2,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,BGC:A:605,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,3WY1,,,,,,,
,,,PRU:B:602,valid,,,,,C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PRU:A:602,valid,,,,,C[C@H](C[C@H](C[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,3WY4,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6JR7,,,,,,,
,,,ACT:A:903,invalid,,,,,CC(=O)[O-],
,,,ACT:D:904,invalid,,,,,CC(=O)[O-],
,,,ACT:D:903,invalid,,,,,CC(=O)[O-],
,,,ACT:C:903,invalid,,,,,CC(=O)[O-],
,,,ACT:B:903,invalid,,,,,CC(=O)[O-],
,,,MPD:C:904,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:904,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:904,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,6JR8,,,,,,,
,,,MPD:A:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:908,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:907,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:906,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:907,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:908,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:907,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:905,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ACT:B:904,invalid,,,,,CC(=O)[O-],
,,,ACT:C:904,invalid,,,,,CC(=O)[O-],
,,,ACT:A:904,invalid,,,,,CC(=O)[O-],
,,,ACT:D:904,invalid,,,,,CC(=O)[O-],
,,,GLC GLC GLC:G:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:H:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5NN6,,,,,,,
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1032,invalid,,,,,C(CO)O,
,,,EDO:A:1030,invalid,,,,,C(CO)O,
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1031,invalid,,,,,C(CO)O,
,,,EDO:A:1028,invalid,,,,,C(CO)O,
,,,EDO:A:1027,invalid,,,,,C(CO)O,
,,,EDO:A:1026,invalid,,,,,C(CO)O,
,,,EDO:A:1029,invalid,,,,,C(CO)O,
,,,EDO:A:1034,invalid,,,,,C(CO)O,
,,,EDO:A:1024,invalid,,,,,C(CO)O,
,,,EDO:A:1022,invalid,,,,,C(CO)O,
,,,EDO:A:1025,invalid,,,,,C(CO)O,
,,,EDO:A:1033,invalid,,,,,C(CO)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MIG:A:1013,valid,Ki,=,3,uM,C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O,
,,,CL:A:1020,invalid,,,,,[Cl-],
,,,CL:A:1019,invalid,,,,,[Cl-],
,,,CL:A:1021,invalid,,,,,[Cl-],
,,,PGE:A:1038,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1037,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1035,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1036,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:1039,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1041,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1040,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,5NN4,,,,,,,
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1021,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1038,invalid,,,,,C(CO)O,
,,,EDO:A:1043,invalid,,,,,C(CO)O,
,,,EDO:A:1032,invalid,,,,,C(CO)O,
,,,EDO:A:1030,invalid,,,,,C(CO)O,
,,,EDO:A:1040,invalid,,,,,C(CO)O,
,,,EDO:A:1031,invalid,,,,,C(CO)O,
,,,EDO:A:1028,invalid,,,,,C(CO)O,
,,,EDO:A:1027,invalid,,,,,C(CO)O,
,,,EDO:A:1029,invalid,,,,,C(CO)O,
,,,EDO:A:1035,invalid,,,,,C(CO)O,
,,,EDO:A:1034,invalid,,,,,C(CO)O,
,,,EDO:A:1037,invalid,,,,,C(CO)O,
,,,EDO:A:1039,invalid,,,,,C(CO)O,
,,,EDO:A:1041,invalid,,,,,C(CO)O,
,,,EDO:A:1042,invalid,,,,,C(CO)O,
,,,EDO:A:1044,invalid,,,,,C(CO)O,
,,,EDO:A:1036,invalid,,,,,C(CO)O,
,,,EDO:A:1033,invalid,,,,,C(CO)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PGE:A:1024,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:1023,invalid,,,,,[Cl-],
,,,CL:A:1022,invalid,,,,,[Cl-],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,GOL:A:1026,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1025,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SC2:A:1016,valid,Kd,=,11.57,mM,CC(=O)N[C@@H](CS)C(=O)O,
,,,SC2:A:1017,valid,Kd,=,11.57,mM,CC(=O)N[C@@H](CS)C(=O)O,
,,5NN8,,,,,,,
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1026,invalid,,,,,C(CO)O,
,,,EDO:A:1029,invalid,,,,,C(CO)O,
,,,EDO:A:1035,invalid,,,,,C(CO)O,
,,,EDO:A:1037,invalid,,,,,C(CO)O,
,,,EDO:A:1034,invalid,,,,,C(CO)O,
,,,EDO:A:1032,invalid,,,,,C(CO)O,
,,,EDO:A:1030,invalid,,,,,C(CO)O,
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1031,invalid,,,,,C(CO)O,
,,,EDO:A:1024,invalid,,,,,C(CO)O,
,,,EDO:A:1028,invalid,,,,,C(CO)O,
,,,EDO:A:1025,invalid,,,,,C(CO)O,
,,,EDO:A:1036,invalid,,,,,C(CO)O,
,,,EDO:A:1033,invalid,,,,,C(CO)O,
,,,EDO:A:1027,invalid,,,,,C(CO)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,CL:A:1022,invalid,,,,,[Cl-],
,,,CL:A:1020,invalid,,,,,[Cl-],
,,,CL:A:1021,invalid,,,,,[Cl-],
,,,PGE:A:1039,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:1038,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLC GLC AC1:G:1,valid,,,,,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC AC1:H:1,valid,,,,,OCC=1C(O)C(O)C(O)C([NH2+]C2C(O)C(O)C(O)OC2C)C=1,
,,5NN5,,,,,,,
,,,SO4:A:1019,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1018,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1017,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1020,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1025,invalid,,,,,[Cl-],
,,,CL:A:1024,invalid,,,,,[Cl-],
,,,CL:A:1022,invalid,,,,,[Cl-],
,,,CL:A:1023,invalid,,,,,[Cl-],
,,,CL:A:1026,invalid,,,,,[Cl-],
,,,CL:A:1021,invalid,,,,,[Cl-],
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,EDO:A:1029,invalid,,,,,C(CO)O,
,,,EDO:A:1032,invalid,,,,,C(CO)O,
,,,EDO:A:1030,invalid,,,,,C(CO)O,
,,,EDO:A:1031,invalid,,,,,C(CO)O,
,,,EDO:A:1028,invalid,,,,,C(CO)O,
,,,EDO:A:1033,invalid,,,,,C(CO)O,
,,,EDO:A:1027,invalid,,,,,C(CO)O,
,,,NAG NAG FUC:F:1,invalid,,,,,,
,,,NAG NAG FUC:B:1,invalid,,,,,,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NOJ:A:1016,valid,Ki,=,3.4,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,Family. Representative Entry is ,2ZQ0,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,CA:B:902,Part of Protein,,,,,[Ca+2],
,,,GLC GLC AC1:C:1,valid,Ki,=,0.15,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,,GLC GLC AC1:D:1,valid,Ki,=,0.15,uM,O(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C([NH3+])C(C)O2)C(CO)O1,
,,2JKP,,,,,,,
,,,CA:A:1728,Part of Protein,,,,,[Ca+2],
,,,CA:B:1728,Part of Protein,,,,,[Ca+2],
,,,CTS:A:1727,valid,Ki,=,59,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:B:1727,valid,Ki,=,59,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,EDO:A:1729,invalid,,,,,C(CO)O,
,,,EDO:A:1730,invalid,,,,,C(CO)O,
,,,EDO:B:1729,invalid,,,,,C(CO)O,
,,,EDO:B:1730,invalid,,,,,C(CO)O,
,,2JKE,,,,,,,
,,,CA:A:1728,Part of Protein,,,,,[Ca+2],
,,,CA:B:1728,Part of Protein,,,,,[Ca+2],
,,,EDO:A:1729,invalid,,,,,C(CO)O,
,,,EDO:A:1730,invalid,,,,,C(CO)O,
,,,EDO:A:1731,invalid,,,,,C(CO)O,
,,,EDO:A:1732,invalid,,,,,C(CO)O,
,,,EDO:B:1729,invalid,,,,,C(CO)O,
,,,EDO:B:1730,invalid,,,,,C(CO)O,
,,,EDO:B:1731,invalid,,,,,C(CO)O,
,,,EDO:B:1732,invalid,,,,,C(CO)O,
,,,NOJ:A:1727,valid,Ki,=,59,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NOJ:B:1727,valid,Ki,=,59,uM,C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
3.1.4.1,,,,,,,,,
,Family. Representative Entry is ,6F30,,,,,,,
,,,NAG:B:1013,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1013,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,UD1:B:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,6F2V,,,,,,,
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,AMP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6F2Y,,,,,,,
,,,NAG:B:1013,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1012,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1014,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1009,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:1004,Part of Protein,,,,,[Ca+2],
,,,CA:B:1004,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,ZN:B:1003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1003,Part of Protein,,,,,[Zn+2],
,,,B4P:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,B4P:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,6C02,,,,,,,
,,,NA:A:921,Part of Protein,,,,,[Na+],
,,,NA:B:916,Part of Protein,,,,,[Na+],
,,,CA:B:903,Part of Protein,,,,,[Ca+2],
,,,CA:A:903,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:B:918,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:925,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:917,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:926,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:922,invalid,,,,,[Cl-],
,,,CL:A:923,invalid,,,,,[Cl-],
,,,CL:A:924,invalid,,,,,[Cl-],
,,,APC:A:927,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:919,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:B:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,ZN:B:902,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:I:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:N:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:G:1,invalid,,,,,,
2.7.1.134,,,,,,,,,
,Family. Representative Entry is ,2Q7D,,,,,,,
,,,ANP:A:917,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:918,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:901,Part of Protein,,,,,[Mn+2],
,,,MN:A:902,Part of Protein,,,,,[Mn+2],
,,,MN:B:903,Part of Protein,,,,,[Mn+2],
,,,MN:B:904,Part of Protein,,,,,[Mn+2],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:911,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:912,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:914,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:915,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:916,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:910,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:913,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2QB5,,,,,,,
,,,ADP:A:557,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:558,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:A:553,Part of Protein,,,,,[Mn+2],
,,,MN:A:554,Part of Protein,,,,,[Mn+2],
,,,MN:B:555,Part of Protein,,,,,[Mn+2],
,,,MN:B:556,Part of Protein,,,,,[Mn+2],
,,,SO4:A:542,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:551,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:552,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:544,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:547,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:548,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:549,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:550,invalid,,,,,[O-]S(=O)(=O)[O-],
3.2.1.143,,,,,,,,,
,Family. Representative Entry is ,4L2H,,,,,,,
,,,AR6 AR6:A:700,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C(OC2C(O)C(COP(=O)(OP(=O)([O-])[O-])[O-])OC2n2c3ncnc(N)c3nc2)O1)[O-],
,,4EPP,,,,,,,
,,,APR:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,4EPQ,,,,,,,
,,,0RR:A:501,valid,,,,,c1cc(c(c(c1)Cl)CN2c3ccc(cc3/C(=C/4C(=O)N(C(=S)S4)CCC(=O)O)/C2=O)Cl)Cl,
,Family. Representative Entry is ,6OAK,,,,,,,
,,,M0M:A:1001,valid,ic50,=,0.4,uM,CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3,
,,6HML,,,,,,,
,,,DMS:A:1003,invalid,,,,,CS(=O)C,
,,,DMS:A:1004,invalid,,,,,CS(=O)C,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,73L:A:1001,valid,,,,,Cc1c(sc(n1)C)CN2c3ccc(cc3C(=O)N(C2=O)Cc4cnn(c4)C)S(NC5(CC5)C)(O)O,
,,4NA0,,,,,,,
,,,IOD:A:1001,invalid,,,,,[I-],
,,,IOD:B:1002,invalid,,,,,[I-],
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:C:1001,invalid,,,,,[I-],
,,,IOD:B:1001,invalid,,,,,[I-],
,,,IOD:C:1002,invalid,,,,,[I-],
,,,AR6:A:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:C:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,6HMK,,,,,,,
,,,7JC:A:1008,valid,,,,,Cc1ncc(s1)CN2C(=O)c3cc(ccc3N(C2=O)C)S(=O)(=O)NC4(CC4)C,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,DMS:A:1002,invalid,,,,,CS(=O)C,
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,6OA3,,,,,,,
,,,M0M:A:1001,valid,ic50,=,0.4,uM,CN1C2=C(C(=S)N(C1=O)C)N[C@@H](N2)SCCN3CCOCC3,
,,5A7R,,,,,,,
,,,GOL:A:1979,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1982,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1975,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1984,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1976,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1981,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1977,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1974,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1978,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1983,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1980,invalid,,,,,C(C(CO)O)O,
,,,PPI:A:1986,invalid,,,,,CCC(=O)O,
,,,PPI:A:1988,invalid,,,,,CCC(=O)O,
,,,PPI:A:1987,invalid,,,,,CCC(=O)O,
,,,PPI:A:1990,invalid,,,,,CCC(=O)O,
,,,PPI:A:1985,invalid,,,,,CCC(=O)O,
,,,PPI:A:1989,invalid,,,,,CCC(=O)O,
,,,SO4:A:1971,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1969,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1972,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1970,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1968,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1973,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1967,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AR6 AR6:A:1964,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC1C(O)C(O)C(OC2C(O)C(COP(=O)(OP(=O)([O-])[O-])[O-])OC2n2c3ncnc(N)c3nc2)O1)[O-],
,,,BME:A:1966,invalid,,,,,C(CS)O,
,,6HH6,,,,,,,
,,,A3R:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6OA1,,,,,,,
,,,M0P:A:1001,valid,ic50,=,25.7,uM,CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C,
,,4N9Z,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V3L:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,,V3L:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,4NA4,,,,,,,
,,,A1R:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,A1R:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
,,,IOD:A:1002,invalid,,,,,[I-],
,,,IOD:B:1002,invalid,,,,,[I-],
,,,IOD:A:1003,invalid,,,,,[I-],
,,,IOD:C:1002,invalid,,,,,[I-],
,,,IOD:C:1003,invalid,,,,,[I-],
,,6OA0,,,,,,,
,,,M1D:A:1001,valid,,,,,CN1c2c(n(cn2)CCCC(=O)O)C(=O)N(C1=O)C,
,,4N9Y,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,V3L:A:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,6O9X,,,,,,,
,,,M0S:A:1001,valid,ic50,=,0.9,uM,CN1c2c(nc([nH]2)SCCN3CCCC3)C(=S)N(C1=O)C,
,,6OAL,,,,,,,
,,,M0P:A:1001,valid,ic50,=,25.7,uM,CN1c2c([nH]c(n2)SCCN3CCOCC3)C(=O)N(C1=O)C,
,,6HMM,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,7JB:A:1004,valid,,,,,CC(C)(C)NS(=O)(=O)c1ccc2c(c1)C(=O)c3ccccc3C2=O,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6O9Y,,,,,,,
,,,M0V:A:1001,valid,,,,,CN1c2c(n(cn2)C[C@H](CN3CCOCC3)O)C(=O)N(C1=O)C,
,Family. Representative Entry is ,5ZQY,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,AR6:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,3SIG,,,,,,,
,,,AR6:A:280,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,3SII,,,,,,,
,,,A1R:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H](CN4)O)O)O)O)N,
3.2.1.113,,,,,,,,,
,Family. Representative Entry is ,5KKB,,,,,,,
,,,BU1:B:713,invalid,,,,,C(CCO)CO,
,,,1PS:B:711,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:712,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,NAG:A:710,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:710,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,LA:B:712,valid,,,,,[La+3],
,,,LA:A:711,valid,,,,,[La+3],
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,2RI9,,,,,,,
,,,CA:A:1550,Part of Protein,,,,,[Ca+2],
,,,CA:B:2551,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1903,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2903,invalid,,,,,C(C(CO)O)O,
,,,MMA LDY:F:1,valid,Ki,=,0.6,mM,,
,,,MMA LDY:J:1,valid,Ki,=,0.6,mM,,
,,,MAN:H:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:H:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NDG:I:1,invalid,,,,,,
,,,NAG NDG MAN:H:1,invalid,,,,,,
,,,NAG NDG MAN:D:1,invalid,,,,,,
,,1KRF,,,,,,,
,,,CA:A:550,Part of Protein,,,,,[Ca+2],
,,,CA:B:551,Part of Protein,,,,,[Ca+2],
,,,KIF:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,KIF:B:902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN MAN:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,1KRE,,,,,,,
,,,CA:A:550,Part of Protein,,,,,[Ca+2],
,,,CA:B:551,Part of Protein,,,,,[Ca+2],
,,,DMJ:A:901,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,DMJ:B:902,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN MAN:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,Family. Representative Entry is ,5NE5,,,,,,,
,,,KIF:A:501,valid,Kd,=,39,nM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,BTB:A:504,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,4AYR,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,PE4:A:512,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:505,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:510,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:506,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:513,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,IFL:A:503,valid,Kd,=,99,nM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,,IFL:A:504,valid,Kd,=,99,nM,C1[C@@H]([C@H]([C@@H](C(=O)N1)O)O)CO,
,,4AYP,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,Z5L MAN:B:1,valid,Kd,=,755,nM,,
,,5MEH,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,DMJ:A:506,valid,Kd,=,481,nM,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,4AYQ,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG PEG:A:504,invalid,,,,,,
,,,PEG PEG:A:506,invalid,,,,,,
,,,MVL:A:503,valid,Kd,=,47,nM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,Family. Representative Entry is ,1FO3,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,KIF:A:704,valid,ic50,=,0.2,uM,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2N1C(=O)C(=O)N2)O)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KIJ,,,,,,,
,,,BU1:A:705,invalid,,,,,C(CCO)CO,
,,,BU1:A:717,invalid,,,,,C(CCO)CO,
,,,BU1:A:704,invalid,,,,,C(CCO)CO,
,,,BU1:A:716,invalid,,,,,C(CCO)CO,
,,,NAG BMA MAN MAN MAN MAN MAN MAN MAN:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(COC4C(O)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1O)C,
,,,LA:A:701,valid,,,,,[La+3],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1PS:A:715,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,1FO2,,,,,,,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,DMJ:A:704,valid,ic50,=,20,uM,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KK7,,,,,,,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,1PS:A:709,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:704,invalid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,BU1:B:703,invalid,,,,,C(CCO)CO,
,,,BU1:A:705,invalid,,,,,C(CCO)CO,
,,,BU1:A:706,invalid,,,,,C(CCO)CO,
,,,BU1:B:706,invalid,,,,,C(CCO)CO,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:B:705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:708,invalid,,,,,CC(=O)[O-],
,,,ACT:B:707,invalid,,,,,CC(=O)[O-],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:B:704,invalid,,,,,CC(=O)[O-],
,,,Z5L MAN:D:1,valid,,,,,,
,,,Z5L MAN:C:1,valid,,,,,,
,Family. Representative Entry is ,1DL2,,,,,,,
,,,CA:A:901,Part of Protein,,,,,[Ca+2],
,,,GOL:A:900,invalid,,,,,C(C(CO)O)O,
,,,NAG NDG BMA MAN MAN MAN MAN:B:1,valid,,,,,,
,,,NAG:A:700,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,1G6I,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,DMJ:A:1002,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,NAG NDG BMA MAN MAN MAN MAN:B:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN MAN:C:1,Part of Protein,,,,,,
,,,NAG:A:1200,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1X9D,,,,,,,
,,,BU1:A:1004,invalid,,,,,C(CCO)CO,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Z5L MAN:B:1,valid,Kd,=,110,uM,,
2.7.11.13,,,,,,,,,
,Family. Representative Entry is ,5LI9,,,,,,,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:A:604,invalid,,,,,C(=O)O,
,,,FMT:A:602,invalid,,,,,C(=O)O,
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,PEG:A:612,invalid,,,,,C(COCCO)O,
,,,PEG:A:613,invalid,,,,,C(COCCO)O,
,,,PEG:A:611,invalid,,,,,C(COCCO)O,
,,,IMD:A:609,invalid,,,,,c1c[nH+]c[nH]1,
,,,ACP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MRD:A:610,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ACT:A:614,invalid,,,,,CC(=O)[O-],
,,,ACT:A:615,invalid,,,,,CC(=O)[O-],
,,3A8W,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OTH,,,,,,,
,,,DRN:A:1001,valid,ic50,=,9,nM,[H]/N=C(/N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C,
,,4OTI,,,,,,,
,,,MI1:A:1001,valid,ic50,=,43,nM,C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N,
,Family. Representative Entry is ,5LI1,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,K:A:603,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,1XJD,,,,,,,
,,,STU:A:200,valid,Ki,=,0.33,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,5F9E,,,,,,,
,,,5VS:B:1001,valid,ic50,=,0.46,nM,CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C,
,,,5VS:A:1001,valid,ic50,=,0.46,nM,CC1(NC(=O)c2ccc(cc2N1Cc3ccccc3)N4c5cccnc5NC4=O)C,
,Family. Representative Entry is ,3TXO,,,,,,,
,,,07U:A:1,valid,ic50,=,9,nM,CC(C)(CNc1c2ccncc2cc(n1)c3ccncc3)N,
,Family. Representative Entry is ,4DC2,,,,,,,
,,,ADE:A:601,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
2.1.1.244,,,,,,,,,
,Family. Representative Entry is ,5E1M,,,,,,,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:D:101,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:B:319,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:E:101,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:321,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:B:320,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,PRO PRO LYS ARG ILE ALA:E:1,valid,Kd,=,2.8,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,PRO PRO LYS ARG ILE ALA:D:1,valid,Kd,=,2.8,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5E1O,,,,,,,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,ARG PRO LYS ARG ILE ALA:D:1,valid,Kd,=,0.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,ARG PRO LYS ARG ILE ALA:E:1,valid,Kd,=,0.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6PVB,,,,,,,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,P2J GLZ PRO LYS ARG ILE ALA NH2:A:1,valid,,,,,O=C([O-])C([NH3+])CC[NH+](CCCCC[NH2+]CC(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C)C(CC)C)CCCNC(=[NH2+])N)CCCC[NH3+])CCC1)CC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1,
,,5CVE,,,,,,,
,,,PBE PRO LYS THR SER GLY LYS ALA ALA:D:1,valid,,,,,O=C(NC(C(=O)NCC=O)CO)C(NC(=O)C(NC(=O)C1N(C(=O)C2[N+](C)(C)CCC2)CCC1)CCCC[NH3+])C(O)C,
,,,PBE PRO LYS THR SER GLY LYS ALA ALA:E:1,valid,,,,,O=C(NC(C(=O)NCC=O)CO)C(NC(=O)C(NC(=O)C1N(C(=O)C2[N+](C)(C)CCC2)CCC1)CCCC[NH3+])C(O)C,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6DTN,,,,,,,
,,,6D6 PRO PRO LYS ARG ILE ALA NH2:A:1,valid,Ki,=,39,nM,O=C([O-])C([NH3+])CC[NH+](CCC[NH+]1C(C(=O)N2C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])C)C(CC)C)CCCNC(=[NH2+])N)CCCC[NH3+])CCC2)CCC1)CC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1,
,,6PVA,,,,,,,
,,,6D6 GLZ PRO LYS LYS NH2:A:1,valid,,,,,O=C([O-])C([NH3+])CC[NH+](CCC[NH2+]CC(=O)N1C(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCC[NH3+])CCCC[NH3+])CCC1)CC1C(O)C(O)C(N2C3=NCNC(N)=C3N=C2)O1,
,,5E1B,,,,,,,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:D:101,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:B:319,invalid,,,,,*,
,,,UNX:B:326,invalid,,,,,*,
,,,UNX:B:323,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:B:329,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:E:102,invalid,,,,,*,
,,,UNX:E:101,invalid,,,,,*,
,,,UNX:B:324,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:321,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:B:325,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:B:322,invalid,,,,,*,
,,,UNX:B:320,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:B:327,invalid,,,,,*,
,,,UNX:B:328,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SER PRO LYS ARG ILE ALA:E:1,valid,Kd,=,0.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,,SER PRO LYS ARG ILE ALA:D:1,valid,Kd,=,0.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,5E2A,,,,,,,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5JP PRO LYS ARG ILE ALA:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH2+]C)CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,,5JP PRO LYS ARG ILE ALA:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH2+]C)CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,5E1D,,,,,,,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:A:333,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:332,invalid,,,,,*,
,,,UNX:A:331,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:334,invalid,,,,,*,
,,,UNX:A:336,invalid,,,,,*,
,,,UNX:B:321,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:335,invalid,,,,,*,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:339,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:319,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:337,invalid,,,,,*,
,,,UNX:A:340,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:330,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:A:341,invalid,,,,,*,
,,,UNX:A:338,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:A:329,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:B:320,invalid,,,,,*,
,,,UNX:B:322,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,TYR PRO LYS ARG ILE ALA:E:1,valid,Kd,=,0.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,TYR PRO LYS ARG ILE ALA:D:1,valid,Kd,=,0.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5CVD,,,,,,,
,,,DMG PRO ARG ARG ARG SER ARG LYS PRO:E:1,valid,Kd,=,0.39,uM,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C[NH+](C)C)CCC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CO,
,,,DMG PRO ARG ARG ARG SER ARG LYS PRO:D:1,valid,Kd,=,0.39,uM,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C[NH+](C)C)CCC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CO,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6WJ7,,,,,,,
,,,AN6 GLZ PRO LYS ARG ILE 5XU NH2:A:1,valid,Ki,=,5.4,nM,O=C([O-])C([NH3+])CC[NH+](CC[NH2+]CC(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)C)C(CC)C)CCCNC(=[NH2+])N)CCCC[NH3+])CCC1)CC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1,
,,5E2B,,,,,,,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:D:101,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:B:302,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:B:319,invalid,,,,,*,
,,,UNX:B:323,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:E:101,invalid,,,,,*,
,,,UNX:B:321,invalid,,,,,*,
,,,UNX:A:329,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:B:322,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:B:320,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,3BY PRO LYS ARG ILE ALA:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH+](C)CCC2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
,,,3BY PRO LYS ARG ILE ALA:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH+](C)CCC2)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)C(CC)C)C,
1.5.1.34,,,,,,,,,
,Family. Representative Entry is ,3ORF,,,,,,,
,,,NAD:A:901,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:902,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:903,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:904,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3BM1,,,,,,,
,,,FMN:A:3401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:3402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
14.-.-.-,,,,,,,,,
,Family. Representative Entry is ,1LVM,,,,,,,
,,,ACE GLU ASN LEU TYR PHE GLN SER GLY THR:C:301,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc1ccccc1)Cc1ccc(O)cc1)CC(C)C)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])CC(=O)N,
,,,ACE GLU ASN LEU TYR PHE GLN SER GLY THR:D:301,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCC(=O)N)Cc1ccccc1)Cc1ccc(O)cc1)CC(C)C)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])CC(=O)N,
,,,GLU ALA THR GLN LEU MET ASN:E:230,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])C)C(O)C)CCC(=O)N)CC(C)C)C(=O)NC(C(=O)[O-])C)C,
,,1LVB,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,THR GLU ASN LEU TYR PHE GLN SER GLY THR:C:301,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCC(=O)[O-])CC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N)CO)C(O)C,
,,,THR GLU ASN LEU TYR PHE GLN SER GLY THR:D:301,valid,,,,,O=C([O-])C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCC(=O)[O-])CC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N)CO)C(O)C,
,Family. Representative Entry is ,5CPZ,,,,,,,
,,,SO4:D:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GAL NGA GAL SIA SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,5CPW,,,,,,,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA NGA GAL SIA SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,,GAL SIA NGA GAL SIA SIA:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,5CQ0,,,,,,,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAL NGA GAL SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,5CPY,,,,,,,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GAL NGA GAL SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL NGA GAL SIA:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,1VPS,,,,,,,
,,,NAG GAL SIA SIA:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,,,NAG GAL SIA SIA:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,,,NAG GAL SIA SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,,,NAG GAL SIA SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,,,NAG GAL SIA SIA:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1O)C,
,,5CPX,,,,,,,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,3ZJX,,,,,,,
,,,PO4:C:1297,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1298,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1297,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1297,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BOG:C:1296,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:D:1296,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1296,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:1297,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,1XT3,,,,,,,
,,,CIT:A:101,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SGN IDS SGN IDS SGN IDS:C:1,valid,Kd,=,2.01,uM,,
,,2BHI,,,,,,,
,,,C10:A:1062,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:A:1063,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:A:1064,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:A:1065,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:A:1066,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:A:1067,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:B:1061,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:B:1062,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:B:1063,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:B:1064,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,C10:B:1065,invalid,,,,,CCCCCCCCCCOCCOCCOCCOCCOCCOCCO,
,,,SFT:A:1061,valid,,,,,CCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](C=CCCCCCCCCCCCCC)O)O,
,Family. Representative Entry is ,1TYU,,,,,,,
,,,RAM MAN GLA TYV RAM MAN GLA TYV:B:1,valid,,,,,,
,,1TYW,,,,,,,
,,,RAM MAN GLA TYV RAM GLC MAN GLA TYV:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)OC(OC3C(OC4C(O)CC(O)C(C)O4)C(O)C(CO)OC3OC3C(O)C(O)C(O)OC3C)C2O)OC1C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,,1TYX,,,,,,,
,,,RAM MAN GLA ABE RAM MAN GLA ABE:B:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(OC3C(OC4C(O)CC(O)C(C)O4)C(O)C(CO)OC3OC3C(O)C(O)C(O)OC3C)OC(CO)C2O)OC1C)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(OC2C(O)CC(O)C(C)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,1JQY,,,,,,,
,,,A32:D:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:E:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:F:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:G:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:H:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:L:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:M:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:O:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:P:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:V:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:W:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:X:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:Y:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,,A32:Z:104,valid,Ki,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCOCC3,
,,1DJR,,,,,,,
,,,GLA:D:1104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:1204,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA BEZ:F:1304,valid,,,,,O=C([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)ccc1,
,,,GLA BEZ:G:1404,valid,,,,,O=C([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)ccc1,
,,,GLA BEZ:H:1504,valid,,,,,O=C([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)ccc1,
,,,GOL:D:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:901,invalid,,,,,C(C(CO)O)O,
,,1FD7,,,,,,,
,,,AI1:D:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:E:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:F:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:G:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:H:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:L:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:M:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:N:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:O:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,,AI1:P:104,valid,ic50,=,14,mM,c1ccc(cc1)CNC(=O)c2cccc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O,
,,2XRS,,,,,,,
,,,GAL:N:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL NAG GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:S:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,1EFI,,,,,,,
,,,GAT:D:104,valid,ic50,=,12,mM,c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,GAT:E:105,valid,ic50,=,12,mM,c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,GAT:F:106,valid,ic50,=,12,mM,c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,GAT:G:107,valid,ic50,=,12,mM,c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,GAT:H:108,valid,ic50,=,12,mM,c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,1PZI,,,,,,,
,,,1DM:D:104,valid,Kd,=,60,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4,
,,,1DM:E:105,valid,Kd,=,60,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4,
,,,1DM:F:106,valid,Kd,=,60,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4,
,,,1DM:G:107,valid,Kd,=,60,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4,
,,,1DM:H:108,valid,Kd,=,60,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NC(CN3CCOCC3)CN4CCOCC4,
,,2XRQ,,,,,,,
,,,BGC GAL SIA NGA GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,1EEF,,,,,,,
,,,GLA:D:104,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:105,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:F:106,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:L:111,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:M:112,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:N:113,valid,ic50,=,1.2,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA I06:G:107,valid,,,,,O=C1N(CCc2ccccc2)NC(=O)c2c1cc(OC1C(O)C(O)C(O)C(CO)O1)cc2,
,,,GLA I06:H:109,valid,,,,,O=C1N(CCc2ccccc2)NC(=O)c2c1cc(OC1C(O)C(O)C(O)C(CO)O1)cc2,
,,,GLA I06:O:114,valid,,,,,O=C1N(CCc2ccccc2)NC(=O)c2c1cc(OC1C(O)C(O)C(O)C(CO)O1)cc2,
,,,GLA I06:P:116,valid,,,,,O=C1N(CCc2ccccc2)NC(=O)c2c1cc(OC1C(O)C(O)C(O)C(CO)O1)cc2,
,,6IAL,,,,,,,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,NA:F:201,Part of Protein,,,,,[Na+],
,,,NA:H:203,Part of Protein,,,,,[Na+],
,,,NA:E:201,Part of Protein,,,,,[Na+],
,,,NA:D:203,Part of Protein,,,,,[Na+],
,,,NA:G:202,Part of Protein,,,,,[Na+],
,,,NA:E:204,Part of Protein,,,,,[Na+],
,,,NA:D:204,Part of Protein,,,,,[Na+],
,,,NA:H:201,Part of Protein,,,,,[Na+],
,,,NA:E:203,Part of Protein,,,,,[Na+],
,,,NA:F:202,Part of Protein,,,,,[Na+],
,,,NA:H:202,Part of Protein,,,,,[Na+],
,,,NA:G:201,Part of Protein,,,,,[Na+],
,,,NA:E:202,Part of Protein,,,,,[Na+],
,,,NA:D:205,Part of Protein,,,,,[Na+],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,BGC GAL NAG NAG GAL GAL:K:1,valid,Kd,=,5,mM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OCC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C,
,,,BGC GAL NAG NAG GAL GAL:L:1,valid,Kd,=,5,mM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OCC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C,
,,1LT6,,,,,,,
,,,GAA:D:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:E:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:F:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:G:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:H:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:L:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:M:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:N:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:O:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:P:104,valid,,,,,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,5LZI,,,,,,,
,,,7DB:E:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O,
,,,7DB:C:202,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O,
,,,7DB:B:203,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O,
,,,7DB:D:202,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,7BQ:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)C[C@H](C(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)Cc4ccccc4)O,
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LT5,,,,,,,
,,,YIO GAL:N:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:L:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:M:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:K:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,YIO GAL:O:1,valid,,,,,S(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3PA8,,,,,,,
,,,621:A:300,valid,,,,,CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C,
,,,621:B:300,valid,,,,,CC(C)C[C@@H](C(=O)CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)C,
,,,CA:A:255,invalid,,,,,[Ca+2],
,,,IHP:A:257,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:256,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,NA:A:256,invalid,,,,,[Na+],
,,,NA:B:255,invalid,,,,,[Na+],
,,3PEE,,,,,,,
,,,CA:B:255,invalid,,,,,[Ca+2],
,,,IHP:A:255,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:256,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3HO6,,,,,,,
,,,IHP:A:270,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:270,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1RVX,,,,,,,
,,,NAG:A:3017,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3018,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3019,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:3020,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:3011,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:3012,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:3013,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:3014,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:3015,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:3016,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:P:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,1RVZ,,,,,,,
,,,NAG:A:3321,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:3311,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:3331,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:P:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1RV0,,,,,,,
,,,DAN:L:701,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,NDG:H:642,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:J:640,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:L:644,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,1RVT,,,,,,,
,,,NDG:H:742,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:J:740,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:L:744,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BGC GAL NAG GAL SIA:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GAL SIA:A:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4BH1,,,,,,,
,,,PO4:A:1325,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:C:1320,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1320,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1320,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:G:1,valid,Kd,=,1.1,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,Kd,=,1.1,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,Kd,=,1.1,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4BH3,,,,,,,
,,,NAG:A:1324,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA BMA MAN:C:1,invalid,,,,,,
,,,EPE:B:1168,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG GAL SIA:D:1,valid,Kd,=,12,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4CQW,,,,,,,
,,,NAG:C:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1164,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1164,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1023,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1023,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1023,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1164,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:A:1325,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4BH0,,,,,,,
,,,PO4:A:1323,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1325,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1324,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:C:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:G:1,valid,Kd,=,21,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:I:1,valid,Kd,=,17,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,Kd,=,17,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,3ZNL,,,,,,,
,,,NAG:F:1154,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1165,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1154,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1165,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1023,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1023,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1023,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1165,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1154,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:D:1164,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1164,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:1164,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NGS FUC GLA SIA:H:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(NC(=O)C)C(O)O1)[O-],
,,,NGS FUC GLA SIA:G:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(NC(=O)C)C(O)O1)[O-],
,,,NGS FUC GLA SIA:I:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(NC(=O)C)C(O)O1)[O-],
,,1JSO,,,,,,,
,,,NAG:A:326,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:327,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:331,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,3ZP2,,,,,,,
,,,NAG:F:421,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:411,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:A:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,6VMZ,,,,,,,
,,,NAG:C:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,R3P:E:403,valid,,,,,CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl,
,,,R3P:A:404,valid,,,,,CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl,
,,,R3P:C:404,valid,,,,,CC(C)N1CCC(CC1)NC(=O)c2c(cccc2Cl)Cl,
,,4CQY,,,,,,,
,,,NAG:C:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1324,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1325,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PO4:C:1327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4BGX,,,,,,,
,,,NAG:B:1154,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1165,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1023,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:B:1163,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GAL SIA:C:1,valid,Kd,=,17,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4CQR,,,,,,,
,,,NAG:A:1330,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA BMA MAN:D:1,invalid,,,,,,
,,,MPO:B:1166,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4BH4,,,,,,,
,,,NAG:A:1324,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1323,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC BMA BMA MAN:C:1,Part of Protein,,,,,,
,,,EPE:B:1168,Part of Protein,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG GAL SIA:D:1,valid,Kd,=,32,mM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,1JSN,,,,,,,
,,,NAG:A:326,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:327,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:331,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4CQX,,,,,,,
,,,PO4:A:1327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1327,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1326,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:1328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1328,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:E:1324,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1323,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1321,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6CFG,,,,,,,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:B:204,invalid,,,,,C(COCCO)O,
,,,EZ7:B:201,valid,,,,,CC(=O)Nc1ccc2c(c1)nc(o2)c3ccnc(c3)C(=O)N4CCN(CC4)[C@H](c5ccccc5)c6nnn(n6)C,
,,4KDO,,,,,,,
,,,NAG:C:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,3ZNM,,,,,,,
,,,EPE:D:1165,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:1165,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:F:1165,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1322,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1323,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1322,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1164,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1323,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1164,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1323,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1164,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1322,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC GLA SIA:G:1,valid,,,,,,
,,,NAG FUC GLA SIA:H:1,valid,,,,,,
,,,NAG FUC GLA SIA:I:1,valid,,,,,,
,,4KDN,,,,,,,
,,,NAG:A:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:601,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:C:604,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4CQU,,,,,,,
,,,NAG:A:1286,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1011,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MPO:B:1163,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN BMA MAN:D:1,invalid,,,,,,
,,,GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,5AJM,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:1330,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1322,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MPO:B:1166,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,1MD2,,,,,,,
,,,233:D:2201,valid,Kd,~,40,nM,COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,233:D:2203,valid,Kd,~,40,nM,COC(=O)NCCCCCC(=O)N[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,233 233 SQ:E:1206,valid,,,,,O=C(NC1C(O)C(O)C(O)C(CO)O1)CCCCCN=C(OCC(NC=1C(=O)C(=O)C=1NCC)COC(O)=NCCCCCC(=O)NC1C(O)C(O)C(O)C(CO)O1)O,
,,,CYN 233:F:1208,invalid,,,,,O=C(NC1C(O)C(O)C(O)C(CO)O1)CCCCCN=C(OCC[NH3+])O,
,,5LZJ,,,,,,,
,,,PGE:C:201,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:201,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,,,PEG:E:201,invalid,,,,,C(COCCO)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7BT:D:202,valid,,,,,COc1cc(cc(c1OC)OC)/C=CC(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,,7BT:C:202,valid,,,,,COc1cc(cc(c1OC)OC)/C=CC(=O)NCC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O,
,,5ELB,,,,,,,
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:206,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:E:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,BCN:A:206,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:206,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:206,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,GLA:H:1202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:E:205,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:J:1202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:204,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:205,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:F:1201,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:C:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:G:202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:I:1202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GAL:E:204,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:J:1201,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:I:1201,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:A:202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:D:204,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:1202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:1201,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL NDG FUC FUC:G:204,valid,Kd,=,1.1,mM,,
,,,GAL NDG FUC FUC:I:1203,valid,Kd,=,1.1,mM,,
,,,PEG:G:201,invalid,,,,,C(COCCO)O,
,,,NDG GAL FUC FUC:O:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:N:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:L:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:Q:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:M:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:R:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:K:1,valid,Kd,=,1.1,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG FUC GAL FUC:P:1,valid,Kd,=,1.1,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC NDG GAL FUC:S:1,valid,Kd,=,1.1,mM,,
,,,NAG FUC NDG GAL FUC:T:1,valid,Kd,=,1.1,mM,,
,,1JR0,,,,,,,
,,,A24:D:104,valid,Kd,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3,
,,,A24:E:104,valid,Kd,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3,
,,,A24:F:104,valid,Kd,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3,
,,,A24:G:104,valid,Kd,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3,
,,,A24:H:104,valid,Kd,=,12,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCN3CCOCC3,
,,6HJD,,,,,,,
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:I:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:201,Part of Protein,,,,,[Ca+2],
,,,CA:J:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,BCN:F:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:G:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:J:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:I:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:G:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:I:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,FUC:F:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NDG FUC GAL:K:1,valid,Kd,=,10,mM,,
,,,NDG FUC GAL:R:1,valid,Kd,=,10,mM,,
,,,NDG FUC GAL:L:1,valid,Kd,=,10,mM,,
,,,NDG FUC GAL:N:1,valid,Kd,=,10,mM,,
,,,NDG FUC GAL:Q:1,valid,Kd,=,10,mM,,
,,,NDG FUC GAL:P:1,valid,Kd,=,10,mM,,
,,,NAG FUC GAL:O:1,valid,Kd,=,10,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:M:1,valid,Kd,=,10,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,5ELE,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:E:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,BCN:C:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,FUC:F:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:I:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:H:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,1PE:F:202,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NDG GAL FUC A2G FUC:K:1,valid,,,,,,
,,,NDG GAL FUC A2G FUC:L:1,valid,,,,,,
,,,NDG GAL FUC A2G FUC:M:1,valid,,,,,,
,,,NAG GAL FUC A2G FUC:G:206,valid,,,,,,
,,3EFX,,,,,,,
,,,BGC FUC GAL FUC A2G:B:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:T:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:A:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:N:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:Q:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:S:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:O:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:R:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC FUC GAL FUC A2G:P:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,1RF2,,,,,,,
,,,BV4:D:104,valid,ic50,=,17,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV4:E:105,valid,ic50,=,17,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV4:F:106,valid,ic50,=,17,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV4:G:107,valid,ic50,=,17,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV4:H:108,valid,ic50,=,17,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)NCCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,PGE:H:110,invalid,,,,,C(COCCOCCO)O,
,,,TRS:H:109,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5ELD,,,,,,,
,,,GAL:A:202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:202,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PEG:D:201,invalid,,,,,C(COCCO)O,
,,,PEG:A:201,invalid,,,,,C(COCCO)O,
,,,GLA:E:203,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MES:C:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PGE:D:202,invalid,,,,,C(COCCOCCO)O,
,,,PGE:E:201,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:202,invalid,,,,,C(COCCOCCO)O,
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NDG GAL FUC A2G FUC:H:1,valid,Kd,=,2.19,mM,,
,,,NDG GAL FUC A2G FUC:G:1,valid,Kd,=,2.19,mM,,
,,,NDG GAL FUC A2G FUC:I:1,valid,Kd,=,2.19,mM,,
,,,NDG GAL FUC A2G FUC:F:1,valid,Kd,=,2.19,mM,,
,,1PZJ,,,,,,,
,,,15B:D:104,valid,ic50,=,0.32,mM,c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN,
,,,15B:G:107,valid,ic50,=,0.32,mM,c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN,
,,,15B:H:108,valid,ic50,=,0.32,mM,c1c(cc(cc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN,
,,,J15:E:105,valid,ic50,=,0.32,mM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN,
,,,J15:F:106,valid,ic50,=,0.32,mM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCN,
,,1G8Z,,,,,,,
,,,GAL:D:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,1CT1,,,,,,,
,,,CL:H:104,invalid,,,,,[Cl-],
,,,BGC GAL SIA NGA GAL:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,5LZG,,,,,,,
,,,PEG:C:202,invalid,,,,,C(COCCO)O,
,,,TRS:A:202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,7BN:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:E:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:C:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:D:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,7BN:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)n2cc(nn2)CCC(=O)NCC[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O,
,,,MRD:E:202,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,IMD:D:202,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,5ELF,,,,,,,
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:204,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,FUC:B:203,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:H:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,BGC FUC GAL FUC A2G:N:1,valid,Kd,=,4.57,mM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GLC FUC GAL FUC A2G:P:1,valid,Kd,=,4.57,mM,,
,,,GLC FUC GAL FUC A2G:G:206,valid,Kd,=,4.57,mM,,
,,,BCN:C:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,PG4:F:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,BGC GAL FUC A2G FUC:O:1,valid,Kd,=,4.6,mM,,
,,,BGC GAL FUC A2G FUC:L:1,valid,Kd,=,4.6,mM,,
,,,GLC GAL FUC A2G FUC:K:1,valid,Kd,=,4.6,mM,,
,,,GLC GAL FUC A2G FUC:M:1,valid,Kd,=,4.6,mM,,
,,,GLC GAL FUC A2G FUC:D:210,valid,Kd,=,4.6,mM,,
,,,GLC GAL FUC A2G FUC:Q:1,valid,Kd,=,4.6,mM,,
,,1LLR,,,,,,,
,,,FNG LNQ:D:104,valid,,,,,O=[N+]([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc(C(=O)NCCCOCCOCCOCCCNC=2C(O)=C(O)C=2N)c1,
,,,FNG LNQ:E:104,valid,,,,,O=[N+]([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc(C(=O)NCCCOCCOCCOCCCNC=2C(O)=C(O)C=2N)c1,
,,,FNG LNQ:F:104,valid,,,,,O=[N+]([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc(C(=O)NCCCOCCOCCOCCCNC=2C(O)=C(O)C=2N)c1,
,,,FNG LNQ:G:104,valid,,,,,O=[N+]([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc(C(=O)NCCCOCCOCCOCCCNC=2C(O)=C(O)C=2N)c1,
,,,FNG LNQ:H:104,valid,,,,,O=[N+]([O-])c1cc(OC2C(O)C(O)C(O)C(CO)O2)cc(C(=O)NCCCOCCOCCOCCCNC=2C(O)=C(O)C=2N)c1,
,,1RCV,,,,,,,
,,,BV1:D:104,valid,ic50,=,29,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-],
,,,BV1:E:105,valid,ic50,=,29,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-],
,,,BV1:F:106,valid,ic50,=,29,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-],
,,,BV1:G:107,valid,ic50,=,29,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-],
,,,BV1:H:108,valid,ic50,=,29,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@@H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-],
,,6HMW,,,,,,,
,,,BCN:C:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:206,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:205,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:206,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:206,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,CA:E:205,Part of Protein,,,,,[Ca+2],
,,,FUL:J:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:H:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:C:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:D:204,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:202,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:I:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:F:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:204,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:G:202,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:G:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:E:202,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:F:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:203,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:D:202,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:E:204,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,1PZK,,,,,,,
,,,J12:D:105,valid,ic50,=,0.2,mM,c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN,
,,,J12:E:106,valid,ic50,=,0.2,mM,c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN,
,,,J12:F:107,valid,ic50,=,0.2,mM,c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN,
,,,J12:G:104,valid,ic50,=,0.2,mM,c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN,
,,,J12:H:108,valid,ic50,=,0.2,mM,c1cc(sc1)CC(=O)Nc2cc(cc(c2)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C(=O)NCCCN4CCN(CC4)CCCN,
,,1RDP,,,,,,,
,,,BV3:D:104,valid,ic50,=,9,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV3:E:105,valid,ic50,=,9,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV3:F:106,valid,ic50,=,9,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV3:G:107,valid,ic50,=,9,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,BV3:H:108,valid,ic50,=,9,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[O-])N,
,,,PGE:H:110,invalid,,,,,C(COCCOCCO)O,
,,,TRS:H:109,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1RD9,,,,,,,
,,,BV2:D:104,valid,ic50,=,13,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N,
,,,BV2:E:105,valid,ic50,=,13,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N,
,,,BV2:F:106,valid,ic50,=,13,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N,
,,,BV2:G:107,valid,ic50,=,13,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N,
,,,BV2:H:108,valid,ic50,=,13,uM,c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@@H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O-])N,
,,,P6G:H:110,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,TRS:H:109,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3CHB,,,,,,,
,,,MES:G:6001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:G:6002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,UNX:D:109,invalid,,,,,*,
,,,UNX:E:109,invalid,,,,,*,
,,,UNX:F:109,invalid,,,,,*,
,,,UNX:G:109,invalid,,,,,*,
,,,UNX:H:109,invalid,,,,,*,
,,,BGC GAL SIA NGA GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,GAL NGA GAL SIA GLC:C:1,valid,,,,,,
,,,GAL NGA GAL SIA GLC:A:1,valid,,,,,,
,,1EEI,,,,,,,
,,,GAA:D:504,valid,ic50,=,0.7,mM,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:E:505,valid,ic50,=,0.7,mM,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:F:506,valid,ic50,=,0.7,mM,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:G:507,valid,ic50,=,0.7,mM,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,,GAA:H:508,valid,ic50,=,0.7,mM,c1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-],
,,2CHB,,,,,,,
,,,GAL NGA GAL SIA:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)C,
,,,GAL SIA NGA GAL:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)COC1CO)C,
,,,BGC GAL SIA NGA GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,6HMY,,,,,,,
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:210,Part of Protein,,,,,[Ca+2],
,,,CA:E:210,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:209,Part of Protein,,,,,[Ca+2],
,,,CA:B:210,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:211,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,FUC:J:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:F:201,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,BCN:C:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:210,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:210,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:209,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:209,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:211,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:208,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BGC GAL SIA NGA GAL FUC:P:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL FUC:S:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL FUC:K:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL FUC:O:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL NGA GAL FUC SIA:N:1,valid,,,,,,
,,,BGC GAL NGA GAL FUC SIA:L:1,valid,,,,,,
,,,BGC GAL NGA GAL FUC SIA:Q:1,valid,,,,,,
,,,BGC GAL NGA GAL FUC SIA:M:1,valid,,,,,,
,,,BGC GAL NGA GAL FUC SIA:R:1,valid,,,,,,
,,,BGC GAL NGA GAL FUC SIA:T:1,valid,,,,,,
,,,GLC GAL NGA GAL FUC SIA:L:1,valid,,,,,,
,,,GLC GAL NGA GAL FUC SIA:M:1,valid,,,,,,
,,,GLC GAL NGA GAL FUC SIA:Q:1,valid,,,,,,
,,,GLC GAL NGA GAL FUC SIA:R:1,valid,,,,,,
,,5ELC,,,,,,,
,,,GAL NAG FUC FUC:205:0,valid,Kd,=,1.5,mM,,
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:E:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,FUC:F:201,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,BCN:B:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:203,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:E:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:201,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:202,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:204,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,GAL NDG FUC FUC:205:0,valid,Kd,=,1.5,mM,,
,,,NAG GAL FUC FUC:M:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,,NAG GAL FUC FUC:R:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,,NAG GAL FUC FUC:L:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,,NAG FUC GAL FUC:N:1,valid,Kd,=,1.5,mM,,
,,,NDG GAL FUC FUC:L:1,valid,Kd,=,1.5,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:R:1,valid,Kd,=,1.5,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:M:1,valid,Kd,=,1.5,mM,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG FUC GAL FUC:Q:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:O:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:S:1,valid,Kd,=,1.5,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4PU5,,,,,,,
,,,ANP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,NA:A:504,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2WKQ,,,,,,,
,,,CL:A:1725,invalid,,,,,[Cl-],
,,,CL:A:1726,invalid,,,,,[Cl-],
,,,CL:A:1727,invalid,,,,,[Cl-],
,,,EDO:A:1728,invalid,,,,,C(CO)O,
,,,EDO:A:1729,invalid,,,,,C(CO)O,
,,,FMN:A:1723,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GTP:A:1722,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1724,Part of Protein,,,,,[Mg+2],
,,2WKP,,,,,,,
,,,CA:A:1727,Part of Protein,,,,,[Ca+2],
,,,FMN:A:1725,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GTP:A:1724,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1726,Part of Protein,,,,,[Mg+2],
,,2WKR,,,,,,,
,,,CL:A:1725,invalid,,,,,[Cl-],
,,,CL:A:1726,invalid,,,,,[Cl-],
,,,FMN:A:1723,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GTP:A:1722,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1724,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2Z8L,,,,,,,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:605,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG FUC GAL SIA:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3UEC,,,,,,,
,,,1PE:A:146,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,ACT:A:148,invalid,,,,,CC(=O)[O-],
,,,ALA ARG TPO LYS:B:1,valid,Kd,=,61.7,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(=O)NC(C(=O)[O-])CCCC[NH3+])C)([O-])[O-],
,,,EDO:A:144,invalid,,,,,C(CO)O,
,,,EDO:A:147,invalid,,,,,C(CO)O,
,,,PEG:A:149,invalid,,,,,C(COCCO)O,
,,,PG4:A:145,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:A:143,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4LSY,,,,,,,
,,,CU:B:101,Part of Protein,,,,,[Cu+2],
,,,FLC:B:100,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3DWQ,,,,,,,
,,,1PE:A:132,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:127,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:132,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:133,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:132,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NGA POL GAL NGC AZI:H:1,valid,Ki,~,2,mM,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(CO)OC(OCCCNNN)C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NGA POL GAL NGC AZI:I:1,valid,Ki,~,2,mM,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(CO)OC(OCCCNNN)C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NGA POL GAL NGC AZI:F:1,valid,Ki,~,2,mM,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(CO)OC(OCCCNNN)C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NGA POL GAL NGC AZI:G:1,valid,Ki,~,2,mM,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(CO)OC(OCCCNNN)C3NC(=O)C)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,3DWP,,,,,,,
,,,1PE:A:128,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:128,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:128,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:128,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:E:128,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NGC:A:127,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGC:B:127,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGC:C:127,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGC:D:127,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,,,NGC:E:127,valid,,,,,C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O,
,Family. Representative Entry is ,3Q9O,,,,,,,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:700,valid,Kd,=,513,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6P7R,,,,,,,
,,,PAM:A:301,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6PB9,,,,,,,
,,,PAM:A:301,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,6OQ7,,,,,,,
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GLC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6TYQ,,,,,,,
,,,NAG GAL 5N6:G:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:F:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:H:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,6TYO,,,,,,,
,,,NAG GAL PKM:I:1,valid,,,,,O=C(OC1C(NC(=O)C)C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])C1)C,
,,,NAG GAL PKM:J:1,valid,,,,,O=C(OC1C(NC(=O)C)C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])C1)C,
,,,NAG GAL PKM:H:1,valid,,,,,O=C(OC1C(NC(=O)C)C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])C1)C,
,,,NAG GAL PKM:F:1,valid,,,,,O=C(OC1C(NC(=O)C)C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])C1)C,
,,,NAG GAL PKM:G:1,valid,,,,,O=C(OC1C(NC(=O)C)C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])C1)C,
,,6TYN,,,,,,,
,,,NAG GAL 5N6:G:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:F:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:H:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:J:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,,NAG GAL 5N6:I:1,valid,,,,,O=C(OCC(O)C(O)C1C(NC(=O)C)C(O)CC(OCC2C(O)C(O)C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)O2)(C(=O)[O-])O1)C,
,,4RHS,,,,,,,
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,GAL SIA SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,,,GAL SIA SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4XQA,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:C:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,423:B:401,valid,Kd,=,10.3,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2cn(nn2)CCN(CCn3cc(nn3)CO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O,
,,2WGU,,,,,,,
,,,42D:A:1,valid,,,,,COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,42D:B:1,valid,,,,,COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,42D:C:1,valid,,,,,COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,4XQB,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:C:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,425:A:401,valid,Kd,=,163.4,uM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCCc2cn(nn2)CCN(CCn3cc(nn3)CCO[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)CCn5cc(nn5)CCO[C@@]6(C[C@@H]([C@H]([C@@H](O6)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O,
,,3N0I,,,,,,,
,,,ZN:A:10,Part of Protein,,,,,[Zn+2],
,,,ZN:B:10,Part of Protein,,,,,[Zn+2],
,,,ZN:C:10,Part of Protein,,,,,[Zn+2],
,,,BGC GAL SIA NGA GAL SIA:D:1,valid,Kd,=,19,uM,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,1UXA,,,,,,,
,,,ACT:B:1369,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1369,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1367,Part of Protein,,,,,[Zn+2],
,,,GAL SIA:F:1,valid,Kd,=,5,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:E:1,valid,Kd,=,5,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:D:1,valid,Kd,=,5,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,3QND,,,,,,,
,,,SIA:A:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:C:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:F:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:G:1,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,ZN:A:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,,ZN:C:9,Part of Protein,,,,,[Zn+2],
,,,ZN:E:10,Part of Protein,,,,,[Zn+2],
,,,ZN:E:7,Part of Protein,,,,,[Zn+2],
,,,ZN:F:8,Part of Protein,,,,,[Zn+2],
,,,ZN:G:9,Part of Protein,,,,,[Zn+2],
,,2WGT,,,,,,,
,,,18D:A:1366,valid,,,,,CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,18D:B:1366,valid,,,,,CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,18D:C:1367,valid,,,,,CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,ZN:A:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1366,Part of Protein,,,,,[Zn+2],
,,1UXB,,,,,,,
,,,ACT:A:1369,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1370,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1369,invalid,,,,,CC(=O)[O-],
,,,ZN:A:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1366,Part of Protein,,,,,[Zn+2],
,,,GAL SIA:D:1,valid,Kd,=,7,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:F:1,valid,Kd,=,7,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:E:1,valid,Kd,=,7,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,1LT3,,,,,,,
,,,BGC GAL:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,1LT4,,,,,,,
,,,BGC GAL:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,2BOS,,,,,,,
,,,GAL GLA:L:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GAL GLA:I:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC NBU GAL GLA:F:1,valid,,,,,O(CCCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GLC NBU GAL GLA:J:1,valid,,,,,O(CCCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GLC NBU GAL GLA:K:1,valid,,,,,O(CCCC)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1,
,,,GLC GAL GLA:H:1,valid,,,,,,
,,,GLC GAL GLA:G:1,valid,,,,,,
,Family. Representative Entry is ,2VL8,,,,,,,
,,,CA:A:1545,Part of Protein,,,,,[Ca+2],
,,,CA:A:1546,Part of Protein,,,,,[Ca+2],
,,,CA:A:1547,Part of Protein,,,,,[Ca+2],
,,,CA:B:1545,Part of Protein,,,,,[Ca+2],
,,,CA:C:1545,Part of Protein,,,,,[Ca+2],
,,,CTS:A:1544,valid,ic50,~,30,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:B:1544,valid,ic50,~,30,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,CTS:C:1544,valid,ic50,~,30,uM,C1C[N@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O,
,,,UDP:A:1543,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1543,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1543,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2VKH,,,,,,,
,,,CA:A:1543,Part of Protein,,,,,[Ca+2],
,,,CA:B:1543,Part of Protein,,,,,[Ca+2],
,,,CA:C:1543,Part of Protein,,,,,[Ca+2],
,,,UPG:A:1544,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:1544,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:C:1544,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,4DXG,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,PIN:A:305,invalid,,,,,C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O,
,,,NDG FUC GAL SIA:B:1,valid,Kd,=,87,nM,,
,Family. Representative Entry is ,1H2C,,,,,,,
,,,U   G   A:R:1,valid,,,,,,
,Family. Representative Entry is ,1QQP,,,,,,,
,,,IDX SGN IDS SGN IDX:A:1,valid,,,,,,
,Family. Representative Entry is ,5U75,,,,,,,
,,,NDG FUC GAL SIA:B:1,valid,,,,,,
,Family. Representative Entry is ,1BAI,,,,,,,
,,,0Q4:A:125,valid,Ki,=,20,nM,CCCC[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=[NH2+])N)N,
,Family. Representative Entry is ,6JYN,,,,,,,
,,,NAG GAL:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,6JYS,,,,,,,
,,,A2G GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G THR GAL NAG:F:1,valid,,,,,O=C([O-])C([NH3+])C(OC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(NC(=O)C)C(O)C(O)C(CO)O2)O1)C,
,Family. Representative Entry is ,1NCQ,,,,,,,
,,,W11:A:7001,valid,,,,,Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F,
,Family. Representative Entry is ,1JSH,,,,,,,
,,,NAG:A:320,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GAL SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,1JSI,,,,,,,
,,,NAG:A:320,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GLC GAL NAG GAL SIA:F:1,valid,,,,,,
,Family. Representative Entry is ,4Q4X,,,,,,,
,,,CA:1:5005,Part of Protein,,,,,[Ca+2],
,,,CA:1:5007,Part of Protein,,,,,[Ca+2],
,,,CA:2:401,Part of Protein,,,,,[Ca+2],
,,,CA:3:601,invalid,,,,,[Ca+2],
,,,CA:1:5006,Part of Protein,,,,,[Ca+2],
,,,CL:2:402,invalid,,,,,[Cl-],
,,,CL:1:5010,invalid,,,,,[Cl-],
,,,CL:1:5009,invalid,,,,,[Cl-],
,,,CL:1:5008,invalid,,,,,[Cl-],
,,,CL:3:602,invalid,,,,,[Cl-],
,,,HEZ:1:5002,invalid,,,,,C(CCCO)CCO,
,,,HEZ:1:5003,invalid,,,,,C(CCCO)CCO,
,,,NA:1:5004,Part of Protein,,,,,[Na+],
,,,SIA:1:5001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4Q4Y,,,,,,,
,,,CA:1:5005,Part of Protein,,,,,[Ca+2],
,,,CA:1:5006,Part of Protein,,,,,[Ca+2],
,,,CA:2:401,Part of Protein,,,,,[Ca+2],
,,,CA:3:601,invalid,,,,,[Ca+2],
,,,CA:1:5004,Part of Protein,,,,,[Ca+2],
,,,HEZ:1:5002,invalid,,,,,C(CCCO)CCO,
,,,HEZ:1:5003,invalid,,,,,C(CCCO)CCO,
,,,CL:3:603,invalid,,,,,[Cl-],
,,,CL:2:403,invalid,,,,,[Cl-],
,,,CL:3:602,invalid,,,,,[Cl-],
,,,CL:1:5010,invalid,,,,,[Cl-],
,,,CL:1:5007,invalid,,,,,[Cl-],
,,,CL:1:5008,invalid,,,,,[Cl-],
,,,CL:1:5009,invalid,,,,,[Cl-],
,,,MYR:4:101,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MG:2:402,Part of Protein,,,,,[Mg+2],
,,,SIA:1:5001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,1PVC,,,,,,,
,,,ILE SER GLU VAL:0:7,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CO)C([NH3+])C(CC)C,
,,,MYR:4:1,Part of Protein,,,,,CCCCCCCCCCCCCC(=O)O,
,,,SPH:1:1000,invalid,,,,,CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O,
,Family. Representative Entry is ,3UW5,,,,,,,
,,,MAA CHG PRO 0DQ:Y:1,valid,Ki,=,0.014,uM,O=C(NC(C(=O)N1C(C(=O)Nc2c(-c3ccccc3)nns2)CCC1)C1CCCCC1)C([NH2+]C)C,
,,,MAA CHG PRO 0DQ:Z:1,valid,Ki,=,0.014,uM,O=C(NC(C(=O)N1C(C(=O)Nc2c(-c3ccccc3)nns2)CCC1)C1CCCCC1)C([NH2+]C)C,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1LRI,,,,,,,
,,,CL:A:100,invalid,,,,,[Cl-],
,,,CLR:A:99,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,1BXM,,,,,,,
,,,ERG:A:99,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,6P4N,,,,,,,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5WHT,,,,,,,
,,,PEG:E:202,invalid,,,,,C(COCCO)O,
,,,PEG:B:205,invalid,,,,,C(COCCO)O,
,,,PEG:E:203,invalid,,,,,C(COCCO)O,
,,,PEG:D:204,invalid,,,,,C(COCCO)O,
,,,PEG:E:204,invalid,,,,,C(COCCO)O,
,,,ACT:D:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:E:201,invalid,,,,,CC(=O)[O-],
,,,ACT:D:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,ACT:B:203,invalid,,,,,CC(=O)[O-],
,,,ACT:C:203,invalid,,,,,CC(=O)[O-],
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,SIA:D:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GLC GAL SIA:F:1,valid,,,,,,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,6P4T,,,,,,,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6P4Q,,,,,,,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6P4M,,,,,,,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6P4R,,,,,,,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6ZFM,,,,,,,
,,,TYR MET TRP ASP GLY TRP TYR MET QJE:C:2,valid,Ki,=,26,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N=C(O)CCOCCO)Cc1ccc(O)cc1)CCSC)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)C(=O)[O-])C,
,,,TYR MET TRP ASP GLY TRP TYR MET QJE:F:2,valid,Ki,=,26,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N=C(O)CCOCCO)Cc1ccc(O)cc1)CCSC)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)C(=O)[O-])C,
,,,1PE:F:102,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,1LTI,,,,,,,
,,,GAL:D:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,A2G GAL:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,1LTA,,,,,,,
,,,GAL:D:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:E:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:F:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:H:104,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5H04,,,,,,,
,,,NAI:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,3LKF,,,,,,,
,,,PC:A:300,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,Family. Representative Entry is ,1SVM,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:750,Part of Protein,,,,,[Mg+2],
,,,MG:B:750,Part of Protein,,,,,[Mg+2],
,,,MG:C:750,Part of Protein,,,,,[Mg+2],
,,,MG:D:750,Part of Protein,,,,,[Mg+2],
,,,MG:E:750,Part of Protein,,,,,[Mg+2],
,,,MG:F:750,Part of Protein,,,,,[Mg+2],
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,,,ZN:C:700,Part of Protein,,,,,[Zn+2],
,,,ZN:D:700,Part of Protein,,,,,[Zn+2],
,,,ZN:E:700,Part of Protein,,,,,[Zn+2],
,,,ZN:F:700,Part of Protein,,,,,[Zn+2],
,,1SVL,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:750,Part of Protein,,,,,[Mg+2],
,,,MG:B:750,Part of Protein,,,,,[Mg+2],
,,,MG:C:750,Part of Protein,,,,,[Mg+2],
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,,,ZN:C:700,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2NUN,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TRS:A:1503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6C0B,,,,,,,
,,,MLI:A:1902,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1903,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1901,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,PAM:B:202,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3SBD,,,,,,,
,,,GNP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,3TH5,,,,,,,
,,,GNP:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1C4Q,,,,,,,
,,,BGC GAL GLA:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:J:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:I:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1QNU,,,,,,,
,,,GLC GAL EMB GAL MEC:H:1,valid,,,,,O=C(OCCOC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)NCCOC(=O)NCC,
,,,GLC GAL EMB GAL MEC:G:1,valid,,,,,O=C(OCCOC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)NCCOC(=O)NCC,
,,,GLC GAL EMB GAL MEC:J:1,valid,,,,,O=C(OCCOC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)NCCOC(=O)NCC,
,,,GLC GAL EMB GAL MEC:F:1,valid,,,,,O=C(OCCOC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)NCCOC(=O)NCC,
,,,GLC GAL EMB GAL MEC:I:1,valid,,,,,O=C(OCCOC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(O)OC1CO)NCCOC(=O)NCC,
,,1CQF,,,,,,,
,,,BGC GAL GLA:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:I:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:J:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:K:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1D1I,,,,,,,
,,,GAL GLA:F:1,invalid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:H:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:G:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:I:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:J:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GAL GLA:K:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C1C(O)C(O)C(O)C(CO)O1,
,,1D1K,,,,,,,
,,,GLC GAL GLA:F:1,valid,,,,,,
,,,GLC GAL GLA:G:1,valid,,,,,,
,,,GLC GAL GLA:J:1,valid,,,,,,
,,,GLC GAL GLA:H:1,valid,,,,,,
,,,GLC GAL GLA:I:1,valid,,,,,,
,Family. Representative Entry is ,1KQR,,,,,,,
,,,GOL:A:4000,invalid,,,,,C(C(CO)O)O,
,,,MNA:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1DTP,,,,,,,
,,,APU:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,1LTT,,,,,,,
,,,BGC GAL:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5G3L,,,,,,,
,,,NA:H:100,Part of Protein,,,,,[Na+],
,,,NA:E:100,Part of Protein,,,,,[Na+],
,,,NA:G:100,Part of Protein,,,,,[Na+],
,,,NA:D:100,Part of Protein,,,,,[Na+],
,,,SIA:E:200,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:G:300,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:A:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,1OKE,,,,,,,
,,,BOG:A:1400,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:1400,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:1395,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1395,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUL BMA:D:1,Part of Protein,,,,,,
,,,NAG NAG FUL BMA:C:1,Part of Protein,,,,,,
,Family. Representative Entry is ,3EEB,,,,,,,
,,,IHP:A:210,valid,Kd,=,1.3,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:210,valid,Kd,=,1.3,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,NA:A:211,Part of Protein,,,,,[Na+],
,,,NA:B:211,Part of Protein,,,,,[Na+],
,,3GCD,,,,,,,
,,,AZ0:A:213,Part of Protein,,,,,CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O,
,,,AZ0:B:213,Part of Protein,,,,,CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O,
,,,AZ0:C:213,Part of Protein,,,,,CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O,
,,,AZ0:D:213,Part of Protein,,,,,CCOC(=O)[C@H](CC(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)O,
,,,IHP:A:214,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:214,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:214,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:D:214,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,NA:A:215,Part of Protein,,,,,[Na+],
,,,NA:B:215,Part of Protein,,,,,[Na+],
,,,NA:C:215,Part of Protein,,,,,[Na+],
,,,NA:D:215,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1MFI,,,,,,,
,,,FHC:A:115,valid,Ki,=,2.6,uM,c1cc(ccc1C=C(/C(=O)[O-])F)O,
,,,FHC:B:116,valid,Ki,=,2.6,uM,c1cc(ccc1C=C(/C(=O)[O-])F)O,
,,,FHC:C:117,valid,Ki,=,2.6,uM,c1cc(ccc1C=C(/C(=O)[O-])F)O,
,Family. Representative Entry is ,1ND2,,,,,,,
,,,MYR:A:6001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:D:4000,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,ZN:A:6000,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1ZBA,,,,,,,
,,,SGN SGN IDS:A:1,valid,,,,,,
,Family. Representative Entry is ,6RTG,,,,,,,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,UDP:A:601,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1GIQ,,,,,,,
,,,NAI:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,1GIR,,,,,,,
,,,NDP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2G7C,,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL GLA:F:1,valid,,,,,,
,,,NAG GAL GLA:C:1,valid,,,,,,
,,,NAG GAL GLA:D:1,valid,,,,,,
,,,NAG GAL GLA:E:1,valid,,,,,,
,Family. Representative Entry is ,2GWL,,,,,,,
,,,NAI:A:592,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,3UW4,,,,,,,
,,,MAA CHG PRO 0DQ:Z:1,valid,Ki,=,0.017,uM,O=C(NC(C(=O)N1C(C(=O)Nc2c(-c3ccccc3)nns2)CCC1)C1CCCCC1)C([NH2+]C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1MG1,,,,,,,
,,,CL:A:457,invalid,,,,,[Cl-],
,,,CL:A:458,invalid,,,,,[Cl-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,1MWH,,,,,,,
,,,GTG:A:1425,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,MN:A:1500,Part of Protein,,,,,[Mn+2],
2.4.1.9,,,,,,,,,
,Family. Representative Entry is ,2YFT,,,,,,,
,,,ACT:A:1700,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1701,invalid,,,,,CC(=O)[O-],
,,,CA:A:1696,Part of Protein,,,,,[Ca+2],
,,,SO4:A:1697,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1698,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1699,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU FRU:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1(CO)C(O)C(O)C(CO)O1,
2.6.1.17,,,,,,,,,
,Family. Representative Entry is ,4ADC,,,,,,,
,,,NA:C:1404,Part of Protein,,,,,[Na+],
,,,NA:B:1404,Part of Protein,,,,,[Na+],
,,,PLP:D:1403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:1403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1403,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,MG:B:1999,invalid,,,,,[Mg+2],
,,4ADD,,,,,,,
,,,PLP SUO:C:410,valid,,,,,,
,,,PLP SUO:A:410,valid,,,,,,
,,,PLP SUO:B:410,valid,,,,,,
,,,PLP SUO:D:410,valid,,,,,,
1.1.5.2,,,,,,,,,
,Family. Representative Entry is ,3A9H,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,PQQ:A:3001,valid,,,,,c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O,
,,,GLC GLC:B:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,invalid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
1.5.1.2,,,,,,,,,
,Family. Representative Entry is ,2AHR,,,,,,,
,,,FMT:A:1508,invalid,,,,,C(=O)O,
,,,FMT:B:1509,invalid,,,,,C(=O)O,
,,,FMT:C:1510,invalid,,,,,C(=O)O,
,,,FMT:D:1511,invalid,,,,,C(=O)O,
,,,FMT:E:1512,invalid,,,,,C(=O)O,
,,,NA:A:1257,Part of Protein,,,,,[Na+],
,,,NA:B:1258,Part of Protein,,,,,[Na+],
,,,NA:C:1259,Part of Protein,,,,,[Na+],
,,,NA:D:1260,Part of Protein,,,,,[Na+],
,,,NA:E:1261,Part of Protein,,,,,[Na+],
,,,NAP:A:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:1504,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2AMF,,,,,,,
,,,NA:A:850,Part of Protein,,,,,[Na+],
,,,NA:B:851,Part of Protein,,,,,[Na+],
,,,NA:C:852,Part of Protein,,,,,[Na+],
,,,NA:D:853,Part of Protein,,,,,[Na+],
,,,NA:E:854,Part of Protein,,,,,[Na+],
,,,PRO:A:4243,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:4333,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:4242,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:4332,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:4241,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:4331,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:4240,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:4330,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:4244,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:4334,valid,,,,,C1C[C@H](NC1)C(=O)O,
,Family. Representative Entry is ,5BSH,,,,,,,
,,,PRO:H:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:J:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:G:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:F:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:I:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:301,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,5BSG,,,,,,,
,,,NAP:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:J:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:I:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:G:303,invalid,,,,,[Cl-],
,,,MPO:I:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:E:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:G:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:F:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:J:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:C:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:H:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,5BSF,,,,,,,
,,,CL:F:303,invalid,,,,,[Cl-],
,,,CL:H:303,invalid,,,,,[Cl-],
,,,CL:J:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:E:303,invalid,,,,,[Cl-],
,,,CL:I:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:G:303,invalid,,,,,[Cl-],
,,,MPO:I:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:E:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:G:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:D:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:F:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:J:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:C:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:B:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:H:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,MPO:A:302,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,NAD:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:I:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:J:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5UAV,,,,,,,
,,,TFB:B:402,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:A:402,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:E:402,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:D:402,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:C:402,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:C:403,invalid,,,,,C(COCCO)O,
,,6XP3,,,,,,,
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IQ0:B:401,valid,,,,,C1CCC(C1)C(=O)O,
,,,IQ0:C:401,valid,,,,,C1CCC(C1)C(=O)O,
,,5UAU,,,,,,,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO:A:402,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:401,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:401,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:E:402,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:402,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:402,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:401,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:402,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:401,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:401,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,6XP0,,,,,,,
,,,FPK:B:401,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,,FPK:A:401,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,,FPK:E:401,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,,FPK:D:501,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,,FPK:C:401,valid,,,,,C1C[C@H](N(C1)C=O)C(=O)O,
,,6XOZ,,,,,,,
,,,TFB:B:401,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:C:401,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:E:401,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:A:401,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,TFB:D:401,valid,,,,,C1C[C@H](OC1)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6XP1,,,,,,,
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T2C:A:401,valid,,,,,C1CS[C@H](N1)C(=O)O,
,,2IZZ,,,,,,,
,,,EDO:A:1272,invalid,,,,,C(CO)O,
,,,EDO:A:1273,invalid,,,,,C(CO)O,
,,,EDO:A:1274,invalid,,,,,C(CO)O,
,,,EDO:C:1276,invalid,,,,,C(CO)O,
,,,EDO:C:1277,invalid,,,,,C(CO)O,
,,,EDO:D:1272,invalid,,,,,C(CO)O,
,,,EDO:E:1273,invalid,,,,,C(CO)O,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5UAT,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PEG:C:403,invalid,,,,,C(COCCO)O,
,,6XP2,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRS:E:401,valid,,,,,C1[C@H](NCS1)C(=O)O,
,,,PRS:A:401,valid,,,,,C1[C@H](NCS1)C(=O)O,
1.2.4.2,,,,,,,,,
,Family. Representative Entry is ,6SY1,,,,,,,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,TPP:B:1001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:1001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,6U3J,,,,,,,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,TPP:B:1001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:1001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
3.4.11.-,,,,,,,,,
,Family. Representative Entry is ,1TF9,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,PHI:A:913,valid,Ki,=,0.92,mM,c1cc(ccc1C[C@@H](C(=O)O)N)I,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1F2P,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,PHE:A:903,valid,Ki,=,12.7,mM,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1TF8,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,TRP:A:911,valid,Ki,=,5.44,mM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:913,valid,Ki,=,5.44,mM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1F2O,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,LEU:A:903,valid,Ki,=,12.4,mM,CC(C)C[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1TKF,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,DTR:A:913,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1QQ9,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,MET:A:903,valid,Ki,=,8.7,mM,CSCC[C@@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1TKH,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,DPN:A:911,valid,,,,,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,DPN:A:913,valid,,,,,c1ccc(cc1)C[C@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,1TKJ,,,,,,,
,,,CA:A:905,Part of Protein,,,,,[Ca+2],
,,,MED:A:913,valid,,,,,CSCC[C@H](C(=O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5NTH,,,,,,,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,BCT:A:601,invalid,,,,,C(=O)(O)[O-],
,,,BB2:A:604,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,Family. Representative Entry is ,6Q4R,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1033,invalid,,,,,C(CO)O,
,,,EDO:A:1022,invalid,,,,,C(CO)O,
,,,EDO:A:1038,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1040,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1027,invalid,,,,,C(CO)O,
,,,EDO:A:1036,invalid,,,,,C(CO)O,
,,,EDO:A:1034,invalid,,,,,C(CO)O,
,,,EDO:A:1025,invalid,,,,,C(CO)O,
,,,EDO:A:1021,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1026,invalid,,,,,C(CO)O,
,,,EDO:A:1020,invalid,,,,,C(CO)O,
,,,EDO:A:1028,invalid,,,,,C(CO)O,
,,,EDO:A:1039,invalid,,,,,C(CO)O,
,,,EDO:A:1035,invalid,,,,,C(CO)O,
,,,EDO:A:1023,invalid,,,,,C(CO)O,
,,,EDO:A:1029,invalid,,,,,C(CO)O,
,,,EDO:A:1032,invalid,,,,,C(CO)O,
,,,EDO:A:1037,invalid,,,,,C(CO)O,
,,,EDO:A:1030,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1024,invalid,,,,,C(CO)O,
,,,EDO:A:1031,invalid,,,,,C(CO)O,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,NA:A:1045,Part of Protein,,,,,[Na+],
,,,NA:A:1046,Part of Protein,,,,,[Na+],
,,,NA:A:1044,invalid,,,,,[Na+],
,,,B3P:A:1010,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1006,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1008,Part of Protein,,,,,[Zn+2],
,,,HJ5:A:1009,valid,,,,,C#CC[C@H](CP(=O)([C@H](CCc1ccccc1)[NH3+])O)C(=O)N[C@@H](Cc2ccccc2)C(=O)[NH3+],
,,,MLT:A:1041,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,P6G:A:1042,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:A:1043,invalid,,,,,C(COCCOCCOCCO)O,
,,6T6R,,,,,,,
,,,EDO:A:1014,invalid,,,,,C(CO)O,
,,,EDO:A:1021,invalid,,,,,C(CO)O,
,,,EDO:A:1019,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1018,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1015,invalid,,,,,C(CO)O,
,,,EDO:A:1017,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1016,invalid,,,,,C(CO)O,
,,,EDO:A:1013,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1020,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,MNZ:A:1022,valid,,,,,C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C)O,
,,,MLT:A:1002,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:A:1003,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4ICS,,,,,,,
,,,TRP GLY:B:503,valid,,,,,O=C(NCC(=O)[O-])C(N)Cc1c2c([nH]c1)cccc2,
,,,TRP GLY:A:503,valid,,,,,O=C(NCC(=O)[O-])C(N)Cc1c2c([nH]c1)cccc2,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6SBR,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,L5E:A:1102,valid,Ki,=,0.005,uM,c1cc(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br,
,,,CL:A:1105,invalid,,,,,[Cl-],
,,,B3P:A:1103,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,6EA1,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1110,Part of Protein,,,,,[Mg+2],
,,,MG:A:1109,invalid,,,,,[Mg+2],
,,,MG:A:1108,Part of Protein,,,,,[Mg+2],
,,,MG:A:1111,invalid,,,,,[Mg+2],
,,,J0Y:A:1102,valid,Ki,=,257,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)[C@H](C(F)(F)F)F,
,,4K5N,,,,,,,
,,,1OU:A:1106,valid,Ki,=,127,uM,[H]/N=C(/N)Nc1ccc(cc1)[C@H](N)P(=O)(O)O,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,MG:A:1107,invalid,,,,,[Mg+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,4R5T,,,,,,,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:1102,invalid,,,,,CS(=O)C,
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,R5T:A:1112,valid,Ki,=,0.8,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)n2cccn2)C(=O)NO,
,,4ZX6,,,,,,,
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,DMS:A:1105,invalid,,,,,CS(=O)C,
,,,DMS:A:1106,invalid,,,,,CS(=O)C,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,4U6:A:1102,valid,Ki,=,5.4,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,4K5P,,,,,,,
,,,1OS:A:1106,valid,Ki,=,345,uM,[H]/N=C(c1ccc(cc1)[C@H](N)P(=O)(O)O)/N,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,6EAB,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1109,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,J2D:A:1102,valid,Ki,=,431,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3,
,,,MG:A:1108,Part of Protein,,,,,[Mg+2],
,,,MG:A:1105,Part of Protein,,,,,[Mg+2],
,,,MG:A:1106,invalid,,,,,[Mg+2],
,,,MG:A:1107,invalid,,,,,[Mg+2],
,,4ZX5,,,,,,,
,,,DMS:A:1106,invalid,,,,,CS(=O)C,
,,,DMS:A:1105,invalid,,,,,CS(=O)C,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,4TM:A:1102,valid,Ki,=,0.64,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2ccsc2)C(=O)NO,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,3EBH,,,,,,,
,,,BES:A:1085,valid,Ki,=,478.2,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O,
,,,GOL:A:1086,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,MG:A:10,Part of Protein,,,,,[Mg+2],
,,,MG:A:7,Part of Protein,,,,,[Mg+2],
,,,MG:A:8,Part of Protein,,,,,[Mg+2],
,,,MG:A:9,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,6SBQ,,,,,,,
,,,PEG:A:1103,invalid,,,,,C(COCCO)O,
,,,PEG:A:1108,invalid,,,,,C(COCCO)O,
,,,NA:A:1107,invalid,,,,,[Na+],
,,,NA:A:1106,invalid,,,,,[Na+],
,,,MLI:A:1105,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1104,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,7ML:A:1102,valid,Ki,=,0.04,uM,c1ccc(cc1)c2cccc3c2CC([C@H](CC3)[NH3+])(O)O,
,,6EE4,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,MG:A:1114,Part of Protein,,,,,[Mg+2],
,,,MG:A:1112,invalid,,,,,[Mg+2],
,,,MG:A:1113,Part of Protein,,,,,[Mg+2],
,,,MG:A:1111,invalid,,,,,[Mg+2],
,,,MG:A:1115,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1109,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1108,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1110,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,J4S:A:1102,valid,Ki,=,202,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CC3,
,,4ZX4,,,,,,,
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1110,invalid,,,,,CS(=O)C,
,,,DMS:A:1109,invalid,,,,,CS(=O)C,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,4TL:A:1101,valid,Ki,=,0.078,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,PO4:A:1104,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,4ZW7,,,,,,,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,MG:A:1105,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,4SZ:A:1102,valid,Ki,=,19,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO,
,,,DMS:A:1109,invalid,,,,,CS(=O)C,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,4ZW3,,,,,,,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,4S9:A:1101,valid,Ki,=,0.027,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)Br)C(=O)NO,
,,,PO4:A:1106,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,6EED,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,MG:A:1106,Part of Protein,,,,,[Mg+2],
,,,J6A:A:1102,valid,Ki,=,812,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3,
,,,GOL:A:1113,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1112,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1115,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:1114,invalid,,,,,CS(=O)C,
,,4K5M,,,,,,,
,,,MG:A:1102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,1OV:A:1106,valid,Ki,=,193,uM,[H]/N=C(/N)NCCC[C@H](N)P(=O)(O)O,
,,4ZW8,,,,,,,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,,DMS:A:1105,invalid,,,,,CS(=O)C,
,,,DMS:A:1106,invalid,,,,,CS(=O)C,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,4T2:A:1102,valid,Ki,=,1.1,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cccc(c2)/C(=N/O)/N)C(=O)NO,
,,4ZX3,,,,,,,
,,,DMS:A:1106,invalid,,,,,CS(=O)C,
,,,DMS:A:1105,invalid,,,,,CS(=O)C,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,4TK:A:1102,valid,Ki,=,0.065,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)Br)C(=O)NO,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,3Q44,,,,,,,
,,,D50:A:1086,valid,Ki,=,490,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OCc2ccccc2)N)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,MG:A:9,invalid,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,6EE3,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,MG:A:1109,Part of Protein,,,,,[Mg+2],
,,,MG:A:1108,invalid,,,,,[Mg+2],
,,,MG:A:1106,Part of Protein,,,,,[Mg+2],
,,,MG:A:1107,invalid,,,,,[Mg+2],
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,J4V:A:1102,valid,Ki,=,137,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3C4CC5CC(C4)CC3C5,
,,,PO4:A:1103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3Q43,,,,,,,
,,,D66:A:1087,valid,Ki,=,43,nM,CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccc(cc1)OC)N)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:7,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:8,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1086,Part of Protein,,,,,[Mg+2],
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:A:5,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4ZW5,,,,,,,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,4SA:A:1102,valid,Ki,=,37,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2ccccc2)C(=O)NO,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,4X2U,,,,,,,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1112,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1104,invalid,,,,,[Mg+2],
,,,MG:A:1113,invalid,,,,,[Mg+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1114,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,TOD:A:1102,valid,,,,,CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](c1ccccc1)C(=O)O,
,,6EE6,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1113,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1112,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1110,invalid,,,,,[Mg+2],
,,,MG:A:1109,invalid,,,,,[Mg+2],
,,,MG:A:1108,Part of Protein,,,,,[Mg+2],
,,,J4P:A:1102,valid,Ki,=,216,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCC3,
,,3T8V,,,,,,,
,,,BTJ:A:1092,valid,Ki,=,260,nM,C[C@@H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc4ccccc4)N)O,
,,,MG:A:1091,Part of Protein,,,,,[Mg+2],
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4K5O,,,,,,,
,,,MG:A:1102,invalid,,,,,[Mg+2],
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1103,Part of Protein,,,,,[Zn+2],
,,,1OT:A:1106,valid,Ki,=,104,uM,c1cnn(c1)c2ccc(cc2)[C@H](N)P(=O)(O)O,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,4R5X,,,,,,,
,,,DMS:A:1109,invalid,,,,,CS(=O)C,
,,,DMS:A:1112,invalid,,,,,CS(=O)C,
,,,DMS:A:1108,invalid,,,,,CS(=O)C,
,,,DMS:A:1110,invalid,,,,,CS(=O)C,
,,,DMS:A:1111,invalid,,,,,CS(=O)C,
,,,R5X:A:1107,valid,Ki,=,5.5,uM,c1cc(cc(c1)N)C(=O)N[C@H](c2ccc(cc2)n3cccn3)C(=O)NO,
,,,MG:A:1105,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,6EA2,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1110,invalid,,,,,[Mg+2],
,,,MG:A:1109,invalid,,,,,[Mg+2],
,,,MG:A:1108,Part of Protein,,,,,[Mg+2],
,,,MG:A:1111,Part of Protein,,,,,[Mg+2],
,,,J1G:A:1102,valid,Ki,=,285,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCC3,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,3EBI,,,,,,,
,,,BEY:A:1085,valid,Ki,=,79,nM,c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O,
,,,GOL:A:1086,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5,invalid,,,,,C(C(CO)O)O,
,,,MG:A:10,Part of Protein,,,,,[Mg+2],
,,,MG:A:7,Part of Protein,,,,,[Mg+2],
,,,MG:A:8,Part of Protein,,,,,[Mg+2],
,,,MG:A:9,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,4ZW6,,,,,,,
,,,PO4:A:1114,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1113,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DMS:A:1112,invalid,,,,,CS(=O)C,
,,,DMS:A:1111,invalid,,,,,CS(=O)C,
,,,DMS:A:1110,invalid,,,,,CS(=O)C,
,,,DMS:A:1109,invalid,,,,,CS(=O)C,
,,,MG:A:1104,Part of Protein,,,,,[Mg+2],
,,,MG:A:1103,invalid,,,,,[Mg+2],
,,,MG:A:1105,invalid,,,,,[Mg+2],
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,4SY:A:1101,valid,Ki,=,1.9,uM,CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cnn(c2)C)C(=O)NO,
,,6EAA,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1111,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1110,invalid,,,,,[Mg+2],
,,,MG:A:1109,Part of Protein,,,,,[Mg+2],
,,,MG:A:1107,invalid,,,,,[Mg+2],
,,,PO4:A:1108,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,J1V:A:1102,valid,Ki,=,818,nM,c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCCCC3,
,,4R5V,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,R5V:A:1102,valid,Ki,=,0.7,uM,CC(C)(C)C(=O)N[C@H](c1ccc(cc1)n2cccn2)C(=O)NO,
,,4K5L,,,,,,,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,MG:A:1103,Part of Protein,,,,,[Mg+2],
,,,19N:A:1102,valid,Ki,=,11,uM,[H]/N=C(N)/NCCCC[C@H](N)P(=O)(O)O,
4.2.3.1,,,,,,,,,
,Family. Representative Entry is ,1V7C,,,,,,,
,,,HEY:A:1400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O,
,,,HEY:B:2400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O,
,,,HEY:C:3400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O,
,,,HEY:D:4400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN/C(=C/CCP(=O)(O)O)/C(=O)O)O,
,,3AEX,,,,,,,
,,,AN7:A:1001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O,
,,,AN7:B:1002,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=C/C(=O)C(=O)O)O,
,,,PO4:A:6265,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6267,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6NMX,,,,,,,
,,,LJS:C:401,valid,,,,,CC1=C(/C(=CN=C(/C=CCP(=O)(O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,LJS:D:401,valid,,,,,CC1=C(/C(=CN=C(/C=CCP(=O)(O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,LJS:A:401,valid,,,,,CC1=C(/C(=CN=C(/C=CCP(=O)(O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,,LJS:B:401,valid,,,,,CC1=C(/C(=CN=C(/C=CCP(=O)(O)O)C(=O)O)/C(=CN1)COP(=O)(O)O)O,
,,6CGQ,,,,,,,
,,,F0G:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1VB3,,,,,,,
,,,KPA:A:500,valid,,,,,C(CC(=O)C(=O)O)CP(=O)(O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
2.6.1.13,,,,,,,,,
,Family. Representative Entry is ,2OAT,,,,,,,
,,,PFM:A:440,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=CC[C@@H](C(=O)O)N)O)O,
,,,PFM:B:440,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=CC[C@@H](C(=O)O)N)O)O,
,,,PFM:C:440,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=CC(=CC[C@@H](C(=O)O)N)O)O,
,,1GBN,,,,,,,
,,,GAB PLP:A:440,valid,,,,,P(=O)(OCc1c(CNc2cc(C(=O)[O-])ccc2)c(O)c(C)nc1)([O-])[O-],
,,,GBC PLP:B:440,valid,,,,,,
,,,GBC PLP:C:440,valid,,,,,,
,,2CAN,,,,,,,
,,,CAN PLP:A:1,valid,,,,,P(=O)(OCc1c(CNOCCC([NH3+])C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,CAN PLP:B:1,valid,,,,,P(=O)(OCc1c(CNOCCC([NH3+])C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,CAN PLP:C:1,valid,,,,,P(=O)(OCc1c(CNOCCC([NH3+])C(=O)[O-])c(O)c(C)nc1)([O-])[O-],
4.3.3.6,,,,,,,,,
,Family. Representative Entry is ,5LNW,,,,,,,
,,,K8P:C:401,invalid,,,,,C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,K8P:D:401,invalid,,,,,C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,K8P:B:401,invalid,,,,,C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,K8P:A:401,invalid,,,,,C[C@@H](C(=O)C=C)N[C@@H]([C@@H](COP(=O)(O)O)O)O,
,,,HG3:C:403,valid,,,,,C([C@H](C(O)O)O)OP(=O)(O)O,
,,,HG3:A:403,valid,,,,,C([C@H](C(O)O)O)OP(=O)(O)O,
,,,HG3:D:403,valid,,,,,C([C@H](C(O)O)O)OP(=O)(O)O,
,,,HG3:B:403,valid,,,,,C([C@H](C(O)O)O)OP(=O)(O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,RP5:A:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:C:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:D:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
,,,RP5:B:402,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)OP(=O)(O)O,
1.14.12.18,,,,,,,,,
,Family. Representative Entry is ,5AEW,,,,,,,
,,,FES:O:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:Q:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:A:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:U:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:M:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:W:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:S:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BNL:I:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:S:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:C:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:Q:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:O:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:K:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:M:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:W:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:E:462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,FE2:C:461,Part of Protein,,,,,[Fe+2],
,,,FE2:A:461,Part of Protein,,,,,[Fe+2],
,,,FE2:S:461,Part of Protein,,,,,[Fe+2],
,,,FE2:W:461,Part of Protein,,,,,[Fe+2],
,,,FE2:E:461,Part of Protein,,,,,[Fe+2],
,,,FE2:Q:461,Part of Protein,,,,,[Fe+2],
,,,FE2:O:461,Part of Protein,,,,,[Fe+2],
,,,FE2:M:461,Part of Protein,,,,,[Fe+2],
,,,FE2:K:461,Part of Protein,,,,,[Fe+2],
,,,FE2:U:461,Part of Protein,,,,,[Fe+2],
,,,FE2:G:461,Part of Protein,,,,,[Fe+2],
,,,FE2:I:461,Part of Protein,,,,,[Fe+2],
,,2XSH,,,,,,,
,,,DC5:A:902,valid,,,,,c1ccc(cc1)c2c(cccc2Cl)Cl,
,,,DC5:C:902,valid,,,,,c1ccc(cc1)c2c(cccc2Cl)Cl,
,,,DC5:E:900,valid,,,,,c1ccc(cc1)c2c(cccc2Cl)Cl,
,,,FE2:A:901,Part of Protein,,,,,[Fe+2],
,,,FE2:C:901,Part of Protein,,,,,[Fe+2],
,,,FE2:E:902,Part of Protein,,,,,[Fe+2],
,,,FE2:G:901,Part of Protein,,,,,[Fe+2],
,,,FE2:I:901,Part of Protein,,,,,[Fe+2],
,,,FE2:K:901,Part of Protein,,,,,[Fe+2],
,,,FES:A:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:901,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,2YFJ,,,,,,,
,,,1IT:A:1460,valid,,,,,c1ccc2c(c1)c3ccccc3o2,
,,,1IT:C:1451,valid,,,,,c1ccc2c(c1)c3ccccc3o2,
,,,1IT:E:1451,valid,,,,,c1ccc2c(c1)c3ccccc3o2,
,,,FE2:A:901,Part of Protein,,,,,[Fe+2],
,,,FE2:C:901,Part of Protein,,,,,[Fe+2],
,,,FE2:E:901,Part of Protein,,,,,[Fe+2],
,,,FE2:G:901,Part of Protein,,,,,[Fe+2],
,,,FE2:I:901,Part of Protein,,,,,[Fe+2],
,,,FE2:K:901,Part of Protein,,,,,[Fe+2],
,,,FES:A:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:900,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,2XRX,,,,,,,
,,,BNL:A:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:C:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:E:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:G:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:I:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:K:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:M:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:O:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:Q:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:S:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:U:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:W:1462,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,FE2:A:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:C:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:E:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:G:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:I:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:K:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:M:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:O:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:Q:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:S:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:U:1461,Part of Protein,,,,,[Fe+2],
,,,FE2:W:1461,Part of Protein,,,,,[Fe+2],
,,,FES:A:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:E:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:I:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:K:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:M:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:O:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:Q:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:S:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:U:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:W:1460,Part of Protein,,,,,S1[Fe]S[Fe]1,
3.2.1.86,,,,,,,,,
,Family. Representative Entry is ,4IPN,,,,,,,
,,,SGC RTG:C:1,valid,,,,,,
,,,SGC RTG:A:1,valid,,,,,,
3.4.21.7,,,,,,,,,
,Family. Representative Entry is ,1CEB,,,,,,,
,,,AMH:A:90,valid,Kd,~,1,uM,C1CC(CCC1CN)C(=O)O,
,,,AMH:B:90,valid,Kd,~,1,uM,C1CC(CCC1CN)C(=O)O,
,,1CEA,,,,,,,
,,,ACA:A:90,valid,Kd,~,11,uM,C(CCC(=O)O)CCN,
,,,ACA:B:90,valid,Kd,~,11,uM,C(CCC(=O)O)CCN,
,,4CIK,,,,,,,
,,,XO3:A:1081,valid,,,,,c1ccc(cc1)C[C@H]2C[C@H](CCN2)C3=CC(=O)NO3,
1.1.1.276,,,,,,,,,
,Family. Representative Entry is ,3Q3C,,,,,,,
,,,NAD:A:299,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.2.1.80,,,,,,,,,
,Family. Representative Entry is ,4B1L,,,,,,,
,,,FRU:A:1678,valid,Kd,~,10,mM,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NA:A:1679,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,1Y9G,,,,,,,
,,,FRU:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,
,,,NAG:A:2001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:5001,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4B1M,,,,,,,
,,,FRU FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,FRU FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(O)(COC2(CO)C(O)C(O)C(CO)O2)O1,
,,,NA:A:1680,Part of Protein,,,,,[Na+],
,,,NA:A:1681,Part of Protein,,,,,[Na+],
,,,NA:B:1680,Part of Protein,,,,,[Na+],
,,,NA:C:1680,Part of Protein,,,,,[Na+],
,,,SO4:B:1681,invalid,,,,,[O-]S(=O)(=O)[O-],
1.5.8.4,,,,,,,,,
,Family. Representative Entry is ,4PAB,,,,,,,
,,,SCN:B:906,invalid,,,,,C(#N)[S-],
,,,SCN:A:906,invalid,,,,,C(#N)[S-],
,,,SCN:B:905,invalid,,,,,C(#N)[S-],
,,,SCN:A:904,invalid,,,,,C(#N)[S-],
,,,SCN:B:904,invalid,,,,,C(#N)[S-],
,,,SCN:B:903,invalid,,,,,C(#N)[S-],
,,,SCN:A:905,invalid,,,,,C(#N)[S-],
,,,SCN:A:903,invalid,,,,,C(#N)[S-],
,,,FAD:B:901,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:901,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,THG:A:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,4PAA,,,,,,,
,,,FAD:B:901,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:901,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,THG:A:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,THG:B:902,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2CNC3=C(N2)C(=O)NC(=N3)N,
1.1.3.10,,,,,,,,,
,Family. Representative Entry is ,4MOP,,,,,,,
,,,12P:B:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:B:804,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:D:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2H5:C:703,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:D:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:B:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:702,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:C:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4MOK,,,,,,,
,,,MES:C:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,12P:A:802,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:C:802,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:B:802,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:D:802,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3K4L,,,,,,,
,,,FAD:A:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:903,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SHG:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,4MOL,,,,,,,
,,,12P:B:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:B:804,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:D:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2FG:B:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:D:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:C:703,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:C:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2IGO,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:704,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:705,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:706,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:708,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:707,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SHG:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:C:804,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:D:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:E:805,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:F:806,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:G:808,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:H:807,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,4MOS,,,,,,,
,,,GAF:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,2FG:A:803,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,4MOJ,,,,,,,
,,,1PE:C:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,G2F:B:703,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,G2F:C:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,G2F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,G2F:D:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,MES:D:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:805,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FDA:C:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:702,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4MOR,,,,,,,
,,,12P:B:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:C:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:D:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:B:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,2H5:D:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:B:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:C:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,4MOI,,,,,,,
,,,G3F:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3LSI,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4MOQ,,,,,,,
,,,MES:B:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,2FG:B:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,2FG:A:803,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4MOH,,,,,,,
,,,SHG:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3LSH,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:C:903,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,2F5V,,,,,,,
,,,FAD:A:1625,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,KBG:A:1628,valid,,,,,C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O,
,,,PEG:A:1627,invalid,,,,,C(COCCO)O,
,,,PG4:A:1626,invalid,,,,,C(COCCOCCOCCO)O,
,,4MOG,,,,,,,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G3F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,3K4M,,,,,,,
,,,FAD:A:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:801,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:624,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:F:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:624,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SHG:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:C:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:D:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:E:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:F:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:G:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,,SHG:H:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O,
,,4MOO,,,,,,,
,,,GAF:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2IGN,,,,,,,
,,,FAD:A:7001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:7002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:7004,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:7003,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:7005,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:7006,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:7008,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:7007,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:A:8002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:8003,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:8008,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:8005,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:8007,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:F:8001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:G:8006,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:8004,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4MOF,,,,,,,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G2F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O,
,,3PL8,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G3F:A:903,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,MES:A:901,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3K4C,,,,,,,
,,,1PE:A:904,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:905,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:902,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:903,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:B:901,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:901,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4MOE,,,,,,,
,,,12P:B:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:803,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:A:805,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:B:805,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,G3F:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:D:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:C:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,MES:B:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:803,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,FDA:C:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3LSM,,,,,,,
,,,12P:A:901,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,12P:B:902,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,GLC:A:912,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SFD:A:801,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,,SFD:B:801,valid,,,,,Cc1cc2c(cc1C)[N@](C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)S(=O)(=O)O,
,,,SO3:A:910,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:A:911,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:910,invalid,,,,,[O-]S(=O)[O-],
,,,SO3:B:911,invalid,,,,,[O-]S(=O)[O-],
,,4MOM,,,,,,,
,,,1PE:C:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:704,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:803,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2H5:B:703,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:D:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:C:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,2H5:A:802,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:702,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MES:D:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:701,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,4MIG,,,,,,,
,,,MN:D:804,invalid,,,,,[Mn+2],
,,,MN:A:804,invalid,,,,,[Mn+2],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,MN:C:803,invalid,,,,,[Mn+2],
,,,MN:D:803,Part of Protein,,,,,[Mn+2],
,,,MN:D:805,invalid,,,,,[Mn+2],
,,,MN:A:805,invalid,,,,,[Mn+2],
,,,MN:B:803,invalid,,,,,[Mn+2],
,,,G3F:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:D:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:C:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,FDA:D:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:801,invalid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4MIH,,,,,,,
,,,G3F:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:H:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:D:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:E:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:G:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:C:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,G3F:F:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O,
,,,FAD:H:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.4.3.-,,,,,,,,,
,Family. Representative Entry is ,5TS5,,,,,,,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:506,Part of Protein,,,,,[Zn+2],
,,,ZN:C:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:503,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG FUC:E:1,invalid,,,,,,
1.14.11.30,,,,,,,,,
,Family. Representative Entry is ,2WA4,,,,,,,
,,,069:A:400,valid,ic50,=,18,uM,c1cc(cc(c1)O)C(=O)NO,
,,,069:A:401,valid,ic50,=,18,uM,c1cc(cc(c1)O)C(=O)NO,
,,,FE2:A:350,Part of Protein,,,,,[Fe+2],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OPC,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,A1Z:A:412,valid,ic50,=,29,uM,c1cc(cc(c1)Cl)c2cc(c(nc2)C(=O)NCC(=O)O)O,
,,2W0X,,,,,,,
,,,FE2:A:1350,Part of Protein,,,,,[Fe+2],
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,PD2:A:1351,valid,ic50,=,625,uM,c1cnc(cc1C(=O)O)C(=O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MZF,,,,,,,
,,,AKG:A:600,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:400,Part of Protein,,,,,[Fe+2],
,,2CGN,,,,,,,
,,,FE:A:1350,Part of Protein,,,,,[Fe+3],
,,,SIN:A:1351,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1355,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Z2W,,,,,,,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,5OP8,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,A1H:A:402,valid,ic50,=,66,uM,c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4,
,,2WA3,,,,,,,
,,,A29:A:400,valid,ic50,=,1,mM,c1cc(cc(c1)O)C(=O)C(=O)O,
,,,FE2:A:350,Part of Protein,,,,,[Fe+2],
,,4Z1V,,,,,,,
,,,OGA:A:601,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NO:A:602,invalid,,,,,[N]=O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,FE:A:604,Part of Protein,,,,,[Fe+3],
,,4AI8,,,,,,,
,,,DZA:A:1358,valid,ic50,>,100,uM,CN(C)NC(=O)CCC(=O)O,
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1356,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1357,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1359,Part of Protein,,,,,[Zn+2],
,,5OP6,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A0W:A:404,valid,ic50,=,21,uM,C1CCC(CC1)N2C(=C(C(=O)N(C2=O)C3CCCCC3)C(=O)NCC(=O)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,1MZE,,,,,,,
,,,FE2:A:400,Part of Protein,,,,,[Fe+2],
,,,TAR:A:500,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,2YDE,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,S2G:A:601,valid,ic50,=,189,uM,C(CC(=O)O)[C@@H](C(=O)O)O,
,,,S2G:A:602,valid,ic50,=,189,uM,C(CC(=O)O)[C@@H](C(=O)O)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YC0,,,,,,,
,,,2HG:A:601,valid,ic50,=,1500,uM,C(CC(=O)O)[C@H](C(=O)O)O,
,,,FE2:A:501,Part of Protein,,,,,[Fe+2],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5JWP,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,3D8C,,,,,,,
,,,AKG:A:1351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,GOL:A:2000,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
3.4.15.1,,,,,,,,,
,Family. Representative Entry is ,4BXK,,,,,,,
,,,PG4:B:704,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:703,invalid,,,,,C(COCCO)O,
,,,PEG:A:701,invalid,,,,,C(COCCO)O,
,,,PEG:B:711,invalid,,,,,C(COCCO)O,
,,,PEG:A:702,invalid,,,,,C(COCCO)O,
,,,PEG:B:701,invalid,,,,,C(COCCO)O,
,,,CL:A:1621,invalid,,,,,[Cl-],
,,,CL:B:1620,invalid,,,,,[Cl-],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,P6G:B:709,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:704,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZN:B:1619,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1620,Part of Protein,,,,,[Zn+2],
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,1IU:A:1001,valid,Ki,=,11.21,nM,C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N,
,,,1IU:B:1001,valid,Ki,=,11.21,nM,C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:B:1612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FUC NAG BMA NAG:E:4,invalid,,,,,,
,,5AMB,,,,,,,
,,,PEG:A:1204,invalid,,,,,C(COCCO)O,
,,,PEG:B:1200,invalid,,,,,C(COCCO)O,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1202,invalid,,,,,C(COCCO)O,
,,,MET VAL GLY GLY VAL VAL ILE ALA:Q:41,valid,,,,,O=C([O-])C(NC(=O)C(N)C(CC)C)C,
,,,MET VAL GLY GLY VAL VAL ILE ALA:P:41,valid,,,,,O=C([O-])C(NC(=O)C(N)C(CC)C)C,
,,,P6G:B:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1205,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,PG4:A:1203,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC BMA:E:2,invalid,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,4CA6,,,,,,,
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,P6G:B:1622,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:B:1623,invalid,,,,,C(COCCO)O,
,,,PEG:A:1624,invalid,,,,,C(COCCO)O,
,,,PEG:A:1622,invalid,,,,,C(COCCO)O,
,,,PEG:B:1624,invalid,,,,,C(COCCO)O,
,,,PEG:B:1621,invalid,,,,,C(COCCO)O,
,,,PEG:A:1626,invalid,,,,,C(COCCO)O,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,3EF:A:1630,valid,Ki,=,180,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,3EF:B:1630,valid,Ki,=,180,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,NAG NAG FUC BMA:E:1,invalid,,,,,,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PG4:A:1625,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,2XYD,,,,,,,
,,,3ES:A:1611,valid,Ki,=,150,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,3ES:B:1611,valid,Ki,=,150,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,CL:A:1621,invalid,,,,,[Cl-],
,,,CL:B:1620,invalid,,,,,[Cl-],
,,,NAG FUC:F:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,P6G:B:1622,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:A:1622,invalid,,,,,C(COCCO)O,
,,,PEG:A:1623,invalid,,,,,C(COCCO)O,
,,,PEG:A:1624,invalid,,,,,C(COCCO)O,
,,,PEG:B:1623,invalid,,,,,C(COCCO)O,
,,,PG4:A:1625,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1621,invalid,,,,,C(COCCOCCOCCO)O,
,,,ZN:A:1620,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1619,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC BMA:E:1,Part of Protein,,,,,,
,,6TT1,,,,,,,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:D:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,1IU:B:708,valid,,,,,C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N,
,,,1IU:A:711,valid,,,,,C[C@H](CP(=O)([C@H](Cc1ccccc1)NC(=O)[C@@H](Cc2[nH]nnn2)N)O)C(=O)N[C@@H](C)C(=O)N,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,PGE:B:716,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:718,invalid,,,,,C(COCCOCCO)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,PEG:A:717,invalid,,,,,C(COCCO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,ZN:B:707,Part of Protein,,,,,[Zn+2],
,,,ZN:A:710,Part of Protein,,,,,[Zn+2],
,,,CL:A:712,invalid,,,,,[Cl-],
,,,CL:B:709,invalid,,,,,[Cl-],
,,,BO3:B:706,invalid,,,,,B(O)(O)O,
,,,BO3:A:709,invalid,,,,,B(O)(O)O,
,,,BO3:A:708,invalid,,,,,B(O)(O)O,
,,,PG4:B:710,invalid,,,,,C(COCCOCCOCCO)O,
,,,FUC:C:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,4BZS,,,,,,,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PG4:B:1611,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:705,invalid,,,,,C(COCCO)O,
,,,PEG:B:704,invalid,,,,,C(COCCO)O,
,,,PEG:A:705,invalid,,,,,C(COCCO)O,
,,,PEG:B:703,invalid,,,,,C(COCCO)O,
,,,K26:B:1001,valid,Ki,=,75,nM,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,,,K26:A:1001,valid,Ki,=,75,nM,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,,,CL:B:702,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,P6G:A:704,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,9X6:B:1612,valid,,,,,C(C(=O)O)SCC(=O)O,
,,,9X6:A:1613,valid,,,,,C(C(=O)O)SCC(=O)O,
,,,PE4:A:703,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,5AMA,,,,,,,
,,,P6G:B:1204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:1201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:B:1200,invalid,,,,,C(COCCO)O,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:B:1202,invalid,,,,,C(COCCO)O,
,,,PEG:D:1200,invalid,,,,,C(COCCO)O,
,,,PEG:D:1205,invalid,,,,,C(COCCO)O,
,,,PEG:C:1200,invalid,,,,,C(COCCO)O,
,,,PEG:A:1204,invalid,,,,,C(COCCO)O,
,,,PEG:D:1202,invalid,,,,,C(COCCO)O,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1201,invalid,,,,,C(COCCO)O,
,,,NAG NAG FUL BMA:L:1,invalid,,,,,,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:D:1002,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1002,invalid,,,,,[Cl-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,NAG FUC:M:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:J:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ASP SER:D:907,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,ASP SER:B:907,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,ASP SER:C:907,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,ASP SER:A:907,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,NAG:D:1102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1100,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC MAN:N:1,invalid,,,,,,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6F9R,,,,,,,
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:A:711,invalid,,,,,[Cl-],
,,,FUC:G:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:D:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,ZN:A:709,Part of Protein,,,,,[Zn+2],
,,,ZN:B:710,Part of Protein,,,,,[Zn+2],
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,MG:A:714,Part of Protein,,,,,[Mg+2],
,,,MG:B:716,Part of Protein,,,,,[Mg+2],
,,,MG:B:715,Part of Protein,,,,,[Mg+2],
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ACT:A:716,invalid,,,,,CC(=O)[O-],
,,,ACT:A:717,invalid,,,,,CC(=O)[O-],
,,,NAG:E:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:B:714,invalid,,,,,C(COCCO)O,
,,,PEG:A:712,invalid,,,,,C(COCCO)O,
,,,PEG:B:713,invalid,,,,,C(COCCO)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,D0W:B:711,valid,Ki,=,10.6,uM,CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,D0W:A:710,valid,Ki,=,10.6,uM,CC(=O)N[C@@H](CC(=O)O)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,PE8:B:721,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG BMA:G:2,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PG4:A:713,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NAG FUC:H:1,invalid,,,,,,
,,6H5X,,,,,,,
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:A:710,invalid,,,,,[Cl-],
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,ZN:A:708,Part of Protein,,,,,[Zn+2],
,,,ZN:B:710,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:H:1,invalid,,,,,,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,,XPE:A:711,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PGE:B:719,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:712,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,FT8:B:711,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,FT8:A:709,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,NAG NAG FUC BMA:G:1,invalid,,,,,,
,,,MG:B:713,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4UFB,,,,,,,
,,,P6G:D:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:1201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,LYS PRO:C:1303,valid,,,,,O=C(C(N)CCCC[NH3+])N1C(C(=O)[O-])CCC1,
,,,LYS PRO:A:1303,valid,,,,,O=C(C(N)CCCC[NH3+])N1C(C(=O)[O-])CCC1,
,,,LYS PRO:B:1303,valid,,,,,O=C(C(N)CCCC[NH3+])N1C(C(=O)[O-])CCC1,
,,,LYS PRO:D:1303,valid,,,,,O=C(C(N)CCCC[NH3+])N1C(C(=O)[O-])CCC1,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:B:1204,invalid,,,,,C(COCCO)O,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:B:1202,invalid,,,,,C(COCCO)O,
,,,PEG:D:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1200,invalid,,,,,C(COCCO)O,
,,,PEG:B:1205,invalid,,,,,C(COCCO)O,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1203,invalid,,,,,C(COCCO)O,
,,,PEG:A:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1201,invalid,,,,,C(COCCO)O,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:D:1002,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1002,invalid,,,,,[Cl-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:K:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:N:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG BMA:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC BMA:P:1,invalid,,,,,,
,,,NAG NAG FUC BMA:M:1,invalid,,,,,,
,,3NXQ,,,,,,,
,,,CL:A:900,invalid,,,,,[Cl-],
,,,CL:B:900,invalid,,,,,[Cl-],
,,,NAG FUC:F:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:C:1,Part of Protein,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUC BMA:H:1,Part of Protein,,,,,,
,,,NAG NAG FUC BMA:E:1,Part of Protein,,,,,,
,,,P6G:A:708,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:709,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PEG:A:706,invalid,,,,,C(COCCO)O,
,,,PEG:B:710,invalid,,,,,C(COCCO)O,
,,,PG4:B:704,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:705,invalid,,,,,C(COCCOCCOCCO)O,
,,,RX4:A:700,valid,,,,,C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N,
,,,RX4:B:700,valid,,,,,C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N,
,,,ZN:A:650,Part of Protein,,,,,[Zn+2],
,,,ZN:B:650,Part of Protein,,,,,[Zn+2],
,,6F9V,,,,,,,
,,,D0Z:A:702,valid,Ki,=,171.9,nM,CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,D0Z:B:702,valid,Ki,=,171.9,nM,CS(=O)(=O)N[C@@H](CCCCN)C(=O)NC[C@H](CC1(CCCC1)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)C(=O)O,
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:B:704,invalid,,,,,[Cl-],
,,,PG4:A:720,invalid,,,,,C(COCCOCCOCCO)O,
,,,MG:A:715,Part of Protein,,,,,[Mg+2],
,,,MG:B:708,Part of Protein,,,,,[Mg+2],
,,,MG:A:714,Part of Protein,,,,,[Mg+2],
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:707,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:706,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,FUC:D:3,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,EDO:B:711,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:B:710,invalid,,,,,C(CO)O,
,,,EDO:B:709,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,P33:B:716,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PGE:B:714,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:713,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:719,invalid,,,,,C(COCCO)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,BMA:C:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,MAN:C:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,5AM9,,,,,,,
,,,GLN LYS:A:915,valid,,,,,O=C([O-])C(NC(=O)C(N)CCC(=O)N)CCCC[NH3+],
,,,GLN LYS:D:915,valid,,,,,O=C([O-])C(NC(=O)C(N)CCC(=O)N)CCCC[NH3+],
,,,P6G:B:1204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:1201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GLU VAL:C:911,valid,,,,,O=C([O-])C(NC(=O)C(N)CCC(=O)[O-])C(C)C,
,,,GLU VAL:B:911,valid,,,,,O=C([O-])C(NC(=O)C(N)CCC(=O)[O-])C(C)C,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:B:1202,invalid,,,,,C(COCCO)O,
,,,PEG:D:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1203,invalid,,,,,C(COCCO)O,
,,,PEG:D:1204,invalid,,,,,C(COCCO)O,
,,,PEG:D:1202,invalid,,,,,C(COCCO)O,
,,,PEG:B:1205,invalid,,,,,C(COCCO)O,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1203,invalid,,,,,C(COCCO)O,
,,,PEG:C:1202,invalid,,,,,C(COCCO)O,
,,,PEG:A:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1201,invalid,,,,,C(COCCO)O,
,,,PEG:D:1203,invalid,,,,,C(COCCO)O,
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:D:1002,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1002,invalid,,,,,[Cl-],
,,,NAG NAG MAN:G:1,invalid,,,,,,
,,,NAG NAG MAN:J:1,invalid,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,CA:C:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,NAG FUC:N:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:K:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NA:D:1003,Part of Protein,,,,,[Na+],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NAG NAG FUC BMA:P:1,invalid,,,,,,
,,,NAG NAG FUC BMA:M:1,invalid,,,,,,
,,,NAG FUL:E:1,invalid,,,,,,
,,6TT4,,,,,,,
,,,EDO:B:716,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,NAG:E:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BO3:B:720,invalid,,,,,B(O)(O)O,
,,,BO3:B:719,invalid,,,,,B(O)(O)O,
,,,BO3:A:717,invalid,,,,,B(O)(O)O,
,,,BO3:A:718,invalid,,,,,B(O)(O)O,
,,,PGE:A:712,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:713,invalid,,,,,C(COCCOCCO)O,
,,,FT8:B:711,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,FT8:A:709,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S,
,,,ZN:A:708,Part of Protein,,,,,[Zn+2],
,,,ZN:B:710,Part of Protein,,,,,[Zn+2],
,,,PEG:A:715,invalid,,,,,C(COCCO)O,
,,,BCN:B:718,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:716,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,FUC:F:5,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,CL:B:712,invalid,,,,,[Cl-],
,,,CL:A:710,invalid,,,,,[Cl-],
,,,XPE:A:711,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,BMA:C:3,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG FUC:D:1,invalid,,,,,,
,,5AM8,,,,,,,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:B:1200,invalid,,,,,C(COCCO)O,
,,,PEG:B:1204,invalid,,,,,C(COCCO)O,
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:B:1202,invalid,,,,,C(COCCO)O,
,,,PEG:D:1200,invalid,,,,,C(COCCO)O,
,,,PEG:D:1205,invalid,,,,,C(COCCO)O,
,,,PEG:C:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1203,invalid,,,,,C(COCCO)O,
,,,PEG:A:1204,invalid,,,,,C(COCCO)O,
,,,PEG:D:1204,invalid,,,,,C(COCCO)O,
,,,PEG:D:1202,invalid,,,,,C(COCCO)O,
,,,PEG:B:1205,invalid,,,,,C(COCCO)O,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1203,invalid,,,,,C(COCCO)O,
,,,PEG:C:1202,invalid,,,,,C(COCCO)O,
,,,PEG:A:1200,invalid,,,,,C(COCCO)O,
,,,PEG:C:1201,invalid,,,,,C(COCCO)O,
,,,PEG:D:1203,invalid,,,,,C(COCCO)O,
,,,P6G:B:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:1201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG NAG FUL BMA:L:1,invalid,,,,,,
,,,SO4:C:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,CL:D:1002,invalid,,,,,[Cl-],
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:C:1002,invalid,,,,,[Cl-],
,,,PHE ARG HIS ASP SER GLY TYR:P:7,valid,,,,,O=C([NH3+])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,PHE ARG HIS ASP SER GLY TYR:R:7,valid,,,,,O=C([NH3+])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,PHE ARG HIS ASP SER GLY TYR:S:7,valid,,,,,O=C([NH3+])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,PHE ARG HIS ASP SER GLY TYR:Q:7,valid,,,,,O=C([NH3+])C(NC(=O)C(N)CC(=O)[O-])CO,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1001,Part of Protein,,,,,[Zn+2],
,,,NAG FUC:J:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:D:1100,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1100,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1101,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG FUC MAN:M:1,invalid,,,,,,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6TT3,,,,,,,
,,,CL:A:713,invalid,,,,,[Cl-],
,,,CL:B:709,invalid,,,,,[Cl-],
,,,BO3:A:711,invalid,,,,,B(O)(O)O,
,,,BO3:B:707,invalid,,,,,B(O)(O)O,
,,,BO3:B:706,invalid,,,,,B(O)(O)O,
,,,BO3:A:709,invalid,,,,,B(O)(O)O,
,,,BO3:A:710,invalid,,,,,B(O)(O)O,
,,,NAG:C:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:B:714,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:B:713,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:B:715,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,BCN:A:723,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:716,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:A:722,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,PEG:B:712,invalid,,,,,C(COCCO)O,
,,,PEG:A:716,invalid,,,,,C(COCCO)O,
,,,CA:B:717,invalid,,,,,[Ca+2],
,,,CA:A:724,invalid,,,,,[Ca+2],
,,,NAG NAG FUC BMA:D:1,invalid,,,,,,
,,,ZN:B:708,Part of Protein,,,,,[Zn+2],
,,,ZN:A:712,Part of Protein,,,,,[Zn+2],
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PGE:B:711,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:715,invalid,,,,,C(COCCOCCO)O,
,,,BJ2:B:710,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:A:714,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,PG4:A:717,invalid,,,,,C(COCCOCCOCCO)O,
,,6EN6,,,,,,,
,,,EDO:C:717,invalid,,,,,C(CO)O,
,,,EDO:C:714,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:D:716,invalid,,,,,C(CO)O,
,,,EDO:D:718,invalid,,,,,C(CO)O,
,,,EDO:C:716,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,EDO:D:715,invalid,,,,,C(CO)O,
,,,EDO:B:717,invalid,,,,,C(CO)O,
,,,EDO:C:715,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:D:717,invalid,,,,,C(CO)O,
,,,EDO:B:723,invalid,,,,,C(CO)O,
,,,EDO:D:721,invalid,,,,,C(CO)O,
,,,EDO:D:720,invalid,,,,,C(CO)O,
,,,EDO:D:719,invalid,,,,,C(CO)O,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:D:722,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:B:718,invalid,,,,,C(CO)O,
,,,EDO:B:724,invalid,,,,,C(CO)O,
,,,EDO:D:723,invalid,,,,,C(CO)O,
,,,PGE:D:729,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:728,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:720,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:730,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:731,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:729,invalid,,,,,C(COCCOCCO)O,
,,,NAG:K:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:C:712,invalid,,,,,C(COCCO)O,
,,,PEG:A:714,invalid,,,,,C(COCCO)O,
,,,PEG:C:713,invalid,,,,,C(COCCO)O,
,,,PEG:B:714,invalid,,,,,C(COCCO)O,
,,,PEG:A:715,invalid,,,,,C(COCCO)O,
,,,PEG:B:713,invalid,,,,,C(COCCO)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,PEG:B:716,invalid,,,,,C(COCCO)O,
,,,PEG:D:713,invalid,,,,,C(COCCO)O,
,,,PEG:D:714,invalid,,,,,C(COCCO)O,
,,,ACT:A:719,invalid,,,,,CC(=O)[O-],
,,,ACT:C:719,invalid,,,,,CC(=O)[O-],
,,,ACT:C:718,invalid,,,,,CC(=O)[O-],
,,,ACT:D:724,invalid,,,,,CC(=O)[O-],
,,,ACT:D:728,invalid,,,,,CC(=O)[O-],
,,,ACT:B:726,invalid,,,,,CC(=O)[O-],
,,,ACT:C:720,invalid,,,,,CC(=O)[O-],
,,,ACT:B:727,invalid,,,,,CC(=O)[O-],
,,,ACT:D:725,invalid,,,,,CC(=O)[O-],
,,,ACT:D:727,invalid,,,,,CC(=O)[O-],
,,,ACT:B:725,invalid,,,,,CC(=O)[O-],
,,,ACT:A:718,invalid,,,,,CC(=O)[O-],
,,,ACT:D:726,invalid,,,,,CC(=O)[O-],
,,,MG:A:713,Part of Protein,,,,,[Mg+2],
,,,MG:B:712,Part of Protein,,,,,[Mg+2],
,,,MG:D:712,Part of Protein,,,,,[Mg+2],
,,,MG:C:711,Part of Protein,,,,,[Mg+2],
,,,CL:B:711,invalid,,,,,[Cl-],
,,,CL:A:712,invalid,,,,,[Cl-],
,,,CL:C:710,invalid,,,,,[Cl-],
,,,CL:D:711,invalid,,,,,[Cl-],
,,,XPE:C:721,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,XPE:B:731,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,NAG FUC:J:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:O:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,ZN:A:710,Part of Protein,,,,,[Zn+2],
,,,ZN:D:709,Part of Protein,,,,,[Zn+2],
,,,ZN:B:709,Part of Protein,,,,,[Zn+2],
,,,ZN:C:708,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:G:1,invalid,,,,,,
,,,NAG NAG FUC:I:1,invalid,,,,,,
,,,NAG NAG FUC:L:1,invalid,,,,,,
,,,NAG NAG FUC:N:1,invalid,,,,,,
,,,BJ2:A:711,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:D:710,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:B:710,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:C:709,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,FUC:F:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,BMA:F:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:K:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:I:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:N:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,2PE:B:730,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,BCN:A:721,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,6EN5,,,,,,,
,,,XPE:D:724,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EDO:C:717,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:C:716,invalid,,,,,C(CO)O,
,,,EDO:B:719,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:B:722,invalid,,,,,C(CO)O,
,,,EDO:C:720,invalid,,,,,C(CO)O,
,,,EDO:C:715,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,EDO:B:721,invalid,,,,,C(CO)O,
,,,EDO:B:723,invalid,,,,,C(CO)O,
,,,EDO:D:721,invalid,,,,,C(CO)O,
,,,EDO:C:718,invalid,,,,,C(CO)O,
,,,EDO:D:719,invalid,,,,,C(CO)O,
,,,EDO:D:720,invalid,,,,,C(CO)O,
,,,EDO:B:720,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:C:719,invalid,,,,,C(CO)O,
,,,EDO:C:721,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:C:722,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,BJ2:B:702,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:A:702,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:D:702,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,BJ2:C:702,valid,Ki,=,11.45,nM,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O,
,,,CL:B:703,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,CL:C:703,invalid,,,,,[Cl-],
,,,CL:D:703,invalid,,,,,[Cl-],
,,,NAG:H:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:N:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:N:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PGE:B:725,invalid,,,,,C(COCCOCCO)O,
,,,BMA:N:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:O:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:F:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,PEG:A:714,invalid,,,,,C(COCCO)O,
,,,PEG:B:717,invalid,,,,,C(COCCO)O,
,,,PEG:B:718,invalid,,,,,C(COCCO)O,
,,,PEG:C:713,invalid,,,,,C(COCCO)O,
,,,PEG:B:714,invalid,,,,,C(COCCO)O,
,,,PEG:A:715,invalid,,,,,C(COCCO)O,
,,,PEG:D:717,invalid,,,,,C(COCCO)O,
,,,PEG:D:718,invalid,,,,,C(COCCO)O,
,,,PEG:B:715,invalid,,,,,C(COCCO)O,
,,,PEG:B:716,invalid,,,,,C(COCCO)O,
,,,PEG:C:714,invalid,,,,,C(COCCO)O,
,,,PEG:A:716,invalid,,,,,C(COCCO)O,
,,,MG:D:704,Part of Protein,,,,,[Mg+2],
,,,MG:C:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,ACT:B:724,invalid,,,,,CC(=O)[O-],
,,,ACT:A:725,invalid,,,,,CC(=O)[O-],
,,,ACT:C:723,invalid,,,,,CC(=O)[O-],
,,,ACT:D:722,invalid,,,,,CC(=O)[O-],
,,,ACT:A:724,invalid,,,,,CC(=O)[O-],
,,,ACT:D:723,invalid,,,,,CC(=O)[O-],
,,,ZN:C:701,Part of Protein,,,,,[Zn+2],
,,,ZN:D:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,NAG NAG FUC:O:1,invalid,,,,,,
,,,NAG NAG FUC:J:1,invalid,,,,,,
,,,NAG NAG FUC:M:1,invalid,,,,,,
,,,NAG NAG FUC:P:1,invalid,,,,,,
,,,NAG NAG FUC:G:1,invalid,,,,,,
,,,PG4:C:724,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:726,invalid,,,,,C(COCCOCCOCCO)O,
,,,MAN:O:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:O:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG BMA:L:2,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1)C,
,,,NAG BMA:I:2,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1)C,
,,,PE3:A:726,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,FUC:I:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:F:4,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,4UFA,,,,,,,
,,,P6G:B:1204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:1203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:1202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG:A:1100,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1102,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CL:B:1002,invalid,,,,,[Cl-],
,,,CL:A:1002,invalid,,,,,[Cl-],
,,,PEG:A:1201,invalid,,,,,C(COCCO)O,
,,,PEG:B:1202,invalid,,,,,C(COCCO)O,
,,,PEG:B:1201,invalid,,,,,C(COCCO)O,
,,,PEG:A:1200,invalid,,,,,C(COCCO)O,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG FUC BMA:D:1,invalid,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,SAC ASP:A:1301,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C)CO)CC(=O)[O-],
,,,SAC ASP:B:1301,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C)CO)CC(=O)[O-],
,Family. Representative Entry is ,5AMC,,,,,,,
,,,PEG:A:1620,invalid,,,,,C(COCCO)O,
,,,PEG:B:1620,invalid,,,,,C(COCCO)O,
,,,PEG:A:1622,invalid,,,,,C(COCCO)O,
,,,PEG:B:1623,invalid,,,,,C(COCCO)O,
,,,PEG:B:1622,invalid,,,,,C(COCCO)O,
,,,PEG:A:1621,invalid,,,,,C(COCCO)O,
,,,GLY NIY:A:906,valid,,,,,O=C([O-])C(NC(=O)C[NH3+])Cc1cc(N(O)O)c(O)cc1,
,,,GLY NIY:B:906,valid,,,,,O=C([O-])C(NC(=O)C[NH3+])Cc1cc(N(O)O)c(O)cc1,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,P6G:B:1621,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PG4:B:1611,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG FUC:C:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,CL:B:1612,invalid,,,,,[Cl-],
,,,CL:A:1611,invalid,,,,,[Cl-],
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,FUC NAG BMA NAG:E:4,invalid,,,,,,
,Family. Representative Entry is ,1J37,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,,X8Z:A:801,valid,Ki,=,1.1,nM,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,,X8Z:B:802,valid,Ki,=,1.1,nM,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,3ZQZ,,,,,,,
,,,NAG:A:1009,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1008,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,,SLC:A:1010,valid,,,,,C=C(C[SeH])C(=O)N1CCCC1C(=O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,2X8Z,,,,,,,
,,,NAG:A:1622,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1623,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,X8Z:A:1615,valid,Ki,=,11,nM,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,
,,,ZN:A:1616,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,2X97,,,,,,,
,,,NAG:A:1622,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1623,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RX4:A:1615,valid,Ki,=,2200,nM,C[C@H](C[P@@](=O)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O)C(=O)N[C@@H](C)C(=O)N,
,,,ZN:A:1616,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,2X93,,,,,,,
,,,EPE:A:1240,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1241,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1621,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1622,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,X93:A:1623,valid,,,,,C[C@@H](C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O,
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,1J36,,,,,,,
,,,LPR:A:801,valid,Ki,=,18,nM,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O,
,,,LPR:B:802,valid,Ki,=,18,nM,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:702,Part of Protein,,,,,[Zn+2],
,,2X96,,,,,,,
,,,EPE:A:1616,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1623,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1624,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RX3:A:1615,valid,Ki,=,94,uM,c1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O,
,,,ZN:A:1617,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,5A2R,,,,,,,
,,,TRS:A:7002,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1616,Part of Protein,,,,,[Zn+2],
,,,MLT:A:1615,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,NAG:A:1621,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1622,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4AA1,,,,,,,
,,,ASP ARG VAL TYR ILE HIS PRO PHE:P:3,valid,Ki,=,76,uM,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CCCNC(=[NH2+])N)C(C)C)Cc1ccc(O)cc1)C(CC)C,
,,,NAG:A:1622,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1623,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,invalid,,,,,,
,,2X90,,,,,,,
,,,EAL:A:1617,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O,
,,,EPE:A:1615,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1616,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1624,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1625,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1618,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,2X92,,,,,,,
,,,EPE:A:701,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:709,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:710,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,X92:A:711,valid,,,,,C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N[C@H](CCc3ccccc3)C(=O)O,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,4CA8,,,,,,,
,,,NAG:A:1626,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1627,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,3ES:A:1615,valid,Ki,=,120,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)[P@](=O)(C[C@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,ZN:A:1620,Part of Protein,,,,,[Zn+2],
,,,SO4:A:1617,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1618,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1616,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN MAN BMA:B:1,invalid,,,,,,
,,2X8Y,,,,,,,
,,,FLC:A:701,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:A:709,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:710,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,2X94,,,,,,,
,,,EPE:A:701,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:710,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:709,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,X94:A:711,valid,,,,,CCC[C@@H](C(=O)O)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O,
,,,ZN:A:702,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,4CA7,,,,,,,
,,,NAG:A:1622,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1621,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,3EF:A:1715,valid,Ki,=,24,nM,c1ccc(cc1)C[C@H](NC(=O)OCc2ccccc2)P(=O)(C[C@@H](Cc3cc(no3)c4ccccc4)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)O)O,
,,,ZN:A:1616,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,invalid,,,,,,
,,4ASQ,,,,,,,
,,,ARG PRO PRO GLY PHE SER PRO PHE ARG:P:1,valid,,,,,O=C(NC(C=O)Cc1ccccc1)CNC(=O)C1N(C(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCC1.O=CC(N)CCCNC(=[NH2+])N,
,,,FLC:A:1624,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:A:1622,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1623,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,invalid,,,,,,
,,2XHM,,,,,,,
,,,EPE:A:1617,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,K26:A:1615,valid,,,,,CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)P(=O)(O)O)NC(=O)C,
,,,NAG:A:1623,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1624,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1616,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,2X95,,,,,,,
,,,EPE:A:1240,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1241,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1242,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1621,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1622,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,X95:A:1623,valid,,,,,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N[C@H](Cc2c[nH]c3c2cccc3)C(=O)O,
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,,4ASR,,,,,,,
,,,ARG PRO PRO GLY PHE THR PRO PHE ARG:P:1,valid,,,,,,
,,,FLC:A:1624,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:A:1622,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1623,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1615,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,invalid,,,,,,
,,2X91,,,,,,,
,,,EPE:A:1616,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1617,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1618,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,LPR:A:1615,valid,Ki,=,180,nM,c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)O,
,,,NAG:A:1625,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1626,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:1619,Part of Protein,,,,,[Zn+2],
,,,NAG NAG BMA MAN MAN BMA:B:1,Part of Protein,,,,,,
,Family. Representative Entry is ,1DTD,,,,,,,
,,,GLU:A:300,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
2.7.1.22,,,,,,,,,
,Family. Representative Entry is ,1V0O,,,,,,,
,,,INR:A:2638,valid,ic50,=,5.5,uM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)S(=O)(=O)O)/N2,
,,,INR:B:2638,valid,ic50,=,5.5,uM,c1ccc2c(c1)C(=O)/C(=C/3c4cc(ccc4NC3=O)S(=O)(=O)O)/N2,
,,1V0P,,,,,,,
,,,PVB:A:1287,valid,ic50,=,0.13,uM,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O,
,,,PVB:B:1287,valid,ic50,=,0.13,uM,CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O,
2.4.2.3,,,,,,,,,
,Family. Representative Entry is ,3P0F,,,,,,,
,,,BAU:A:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,CO:A:1,Part of Protein,,,,,[Co+2],
,,,CO:A:2,Part of Protein,,,,,[Co+2],
,,,MG:A:315,Part of Protein,,,,,[Mg+2],
,,3P0E,,,,,,,
,,,BAU:A:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:B:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:C:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:D:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:E:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:F:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1U1F,,,,,,,
,,,183:A:3300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,183:B:4300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,183:C:5300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,183:D:6300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,183:E:7300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,183:F:8300,valid,Ki,~,680,nM,c1ccc(cc1)COc2cccc(c2)CC3=CN(C(=O)NC3=O)COCCO,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:C:1001,Part of Protein,,,,,[K+],
,,,K:E:1003,Part of Protein,,,,,[K+],
,,,PO4:A:4301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:6301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:8301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:7301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1U1G,,,,,,,
,,,BBB:A:3300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,BBB:B:4300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,BBB:C:5300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,BBB:D:6300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,BBB:E:7300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,BBB:F:8300,valid,,,,,c1ccc(cc1)COc2cccc(c2)CC3=C(N(C(=O)NC3=O)COCCO)O,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:C:1001,Part of Protein,,,,,[K+],
,,,K:E:1003,Part of Protein,,,,,[K+],
,,1RXC,,,,,,,
,,,5UD:J:2051,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,K:A:2101,Part of Protein,,,,,[K+],
,,,K:C:2102,Part of Protein,,,,,[K+],
,,,K:E:2103,Part of Protein,,,,,[K+],
,,,K:I:2104,Part of Protein,,,,,[K+],
,,,K:K:2105,Part of Protein,,,,,[K+],
,,,PO4:J:2052,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,R1P:B:2012,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:C:2082,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:D:2022,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:E:2032,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:F:2002,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:I:2042,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:K:2062,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:L:2072,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,URF:B:2011,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:2081,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:2021,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:E:2031,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:F:2001,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:I:2041,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:K:2061,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:L:2071,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,1TGY,,,,,,,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,R1P:A:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:B:2254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,URA:A:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:2255,valid,,,,,C1=CNC(=O)NC1=O,
,,4E1V,,,,,,,
,,,K:D:1302,Part of Protein,,,,,[K+],
,,,K:E:1303,Part of Protein,,,,,[K+],
,,,K:A:1303,Part of Protein,,,,,[K+],
,,,URF:E:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:A:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:G:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:H:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:F:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:1301,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,GOL:A:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1302,invalid,,,,,C(C(CO)O)O,
,,,EDO:C:1302,invalid,,,,,C(CO)O,
,,1U1E,,,,,,,
,,,182:A:3400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,182:B:4400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,182:C:5400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,182:D:6400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,182:E:7400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,182:F:8400,valid,,,,,c1ccc(cc1)[Se]C2=CN(C(=O)NC2=O)COCCO,
,,,K:A:1002,Part of Protein,,,,,[K+],
,,,K:C:1003,Part of Protein,,,,,[K+],
,,,K:E:1001,Part of Protein,,,,,[K+],
,,,PO4:A:3401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:6401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:7401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:8401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3KVV,,,,,,,
,,,R2B:A:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:B:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:C:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:D:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:E:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,R2B:F:256,valid,,,,,C1=C([C@@H]([C@H](O1)CO)O)O,
,,,SO4:A:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URF:A:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:E:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:F:254,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,1U1D,,,,,,,
,,,181:A:3400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,181:B:4400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,181:C:5400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,181:D:6400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,181:E:7400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,181:F:8400,valid,,,,,c1ccc(cc1)SC2=CN(C(=O)NC2=O)COCCO,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:C:1002,Part of Protein,,,,,[K+],
,,,K:E:1003,Part of Protein,,,,,[K+],
,,,PO4:A:3401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:6401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:7401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:8401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1U1C,,,,,,,
,,,BAU:A:5400,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:B:5011,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:C:5021,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:D:5031,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:E:5041,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:F:5051,valid,Ki,~,4300,nM,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,K:C:1003,Part of Protein,,,,,[K+],
,,,K:E:1002,Part of Protein,,,,,[K+],
,,,PO4:A:3030,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:3012,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:3022,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:3032,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:3042,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:3052,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3FWP,,,,,,,
,,,ANU:B:7016,valid,,,,,C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O,
,,,ANU:D:7013,valid,,,,,C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O,
,,,ANU:F:7014,valid,,,,,C1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O,
,,,K:B:8001,Part of Protein,,,,,[K+],
,,,K:C:8221,Part of Protein,,,,,[K+],
,,,K:F:8002,Part of Protein,,,,,[K+],
,,,PO4:B:7006,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:7003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:7004,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1TGV,,,,,,,
,,,5UD:A:3001,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,5UD:B:5002,valid,,,,,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,
,,,K:A:1001,invalid,,,,,[K+],
,,,SO4:A:482,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:682,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YJK,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:F:301,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:301,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:A:301,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,3EUF,,,,,,,
,,,BAU:A:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:B:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:C:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,BAU:D:400,valid,,,,,c1ccc(cc1)CC2=CN(C(=O)NC2=O)COCCO,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NBQ,,,,,,,
,,,URF:A:400,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:400,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:400,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:400,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,Family. Representative Entry is ,3QPB,,,,,,,
,,,R1P:A:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:B:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:C:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:D:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:E:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:F:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:G:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:H:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:I:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:J:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:K:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:L:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:M:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:N:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:O:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:P:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:Q:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,R1P:R:1254,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O,
,,,URA:A:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:D:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:E:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:F:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:G:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:H:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:I:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:J:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:K:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:L:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:M:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:N:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:O:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:P:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:Q:1255,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:R:1255,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,4TXJ,,,,,,,
,,,THM:B:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:C:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:D:302,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:A:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5CYF,,,,,,,
,,,FLC:A:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,4TXM,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TDR:A:302,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:B:302,valid,,,,,CC1=CNC(=O)NC1=O,
,,4TXL,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:D:302,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:C:302,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:A:302,valid,,,,,C1=CNC(=O)NC1=O,
,,,URA:B:302,valid,,,,,C1=CNC(=O)NC1=O,
,,4TXN,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URF:A:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:B:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:C:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
,,,URF:D:302,valid,,,,,C1=C(C(=O)NC(=O)N1)F,
4.1.1.17,,,,,,,,,
,Family. Representative Entry is ,1NJJ,,,,,,,
,,,GET:A:601,valid,Ki,=,8,mM,C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O,
,,,GET:B:602,valid,Ki,=,8,mM,C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O,
,,,GET:C:603,valid,Ki,=,8,mM,C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O,
,,,ORX:A:602,valid,Kd,=,0.27,mM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O,
,,,ORX:B:603,valid,Kd,=,0.27,mM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O,
,,,ORX:C:604,valid,Kd,=,0.27,mM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O,
,,,ORX:D:426,valid,Kd,=,0.27,mM,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCCN)C(=O)O)O,
,,1F3T,,,,,,,
,,,PLP PUT:A:1001,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,,,PLP PUT:B:1003,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,,,PLP PUT:C:1005,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,,,PLP PUT:D:1007,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,Family. Representative Entry is ,2OO0,,,,,,,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:B:803,invalid,,,,,CC(=O)[O-],
,,,N2P:A:700,invalid,,,,,C(CCN)CCN,
,,,N2P:B:700,invalid,,,,,C(CCN)CCN,
,,,PLP:A:600,valid,Kd,=,0.05,uM,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:600,valid,Kd,=,0.05,uM,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,XAP:A:601,valid,Ki,=,1.4,nM,C(CN)CON,
,,,XAP:B:601,valid,Ki,=,1.4,nM,C(CN)CON,
1.1.3.41,,,,,,,,,
,Family. Representative Entry is ,2VFT,,,,,,,
,,,CL:A:1420,invalid,,,,,[Cl-],
,,,FAD:A:1418,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SOR:A:1419,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,2VFS,,,,,,,
,,,CL:A:1425,invalid,,,,,[Cl-],
,,,FAD:A:1423,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,XYL:A:1424,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,2VFU,,,,,,,
,,,FAD:A:1418,invalid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MTL:A:1419,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
2.7.7.58,,,,,,,,,
,Family. Representative Entry is ,6IYK,,,,,,,
,,,B1U:B:601,valid,Ki,=,50,nM,c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-],
,,,B1U:A:601,valid,Ki,=,50,nM,c1ccc(c(c1)C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)[N+](=O)[O-],
2.8.1.7,,,,,,,,,
,Family. Representative Entry is ,6O11,,,,,,,
,,,C6P:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,6MRE,,,,,,,
,,,PLP:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6O13,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CKT:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(CS)/C(=O)O)O,
,Family. Representative Entry is ,5J8Q,,,,,,,
,,,ALA:A:502,valid,,,,,C[C@@H](C(=O)O)N,
,,,PLP:A:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6KFZ,,,,,,,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,C6P:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CS)C(=O)O)O,
,Family. Representative Entry is ,4HVK,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:412,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:413,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:414,invalid,,,,,C(COCCOCCOCCO)O,
,,,PMP:A:404,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,4R5F,,,,,,,
,,,ACT:A:414,invalid,,,,,CC(=O)[O-],
,,,PG4:A:412,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:413,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:411,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:410,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,PMP:A:404,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
3.5.1.25,,,,,,,,,
,Family. Representative Entry is ,2VHL,,,,,,,
,,,FE:A:1397,Part of Protein,,,,,[Fe+3],
,,,FE:A:1398,Part of Protein,,,,,[Fe+3],
,,,FE:B:1397,Part of Protein,,,,,[Fe+3],
,,,FE:B:1398,Part of Protein,,,,,[Fe+3],
,,,GLP:A:1395,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,GLP:B:1395,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OP(=O)(O)O,
,,,PGE:A:1396,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1396,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6FV4,,,,,,,
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:B:403,invalid,,,,,[Cd+2],
,,,CD:B:402,invalid,,,,,[Cd+2],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,16G:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O,
,,,DTT:B:405,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,Family. Representative Entry is ,2P53,,,,,,,
,,,NNG:A:411,valid,,,,,C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O,
,,,NNG:B:411,valid,,,,,C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
3.4.21.12,,,,,,,,,
,Family. Representative Entry is ,1P11,,,,,,,
,,,BOC ALA ALA PRO PVA:I:5,valid,,,,,P(O)(O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C)C)CCC1)C(C)C,
,,,BOC ALA ALA PRO PVA LAC ALA:P:5,valid,,,,,P(OC(C(=O)NC(C(=O)[O-])C)C)(O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C)C)CCC1)C(C)C,
,,,SO4:E:1,invalid,,,,,[O-]S(=O)(=O)[O-],
4.1.1.-,,,,,,,,,
,Family. Representative Entry is ,4RHE,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:D:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4ZAL,,,,,,,
,,,FNR:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,4LR:A:301,valid,Kd,=,12,uM,CC(=CCOP(=O)(O)O)C,
,,4ZAW,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4LU:A:301,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,6QLI,,,,,,,
,,,FNR:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,4LR:A:301,valid,,,,,CC(=CCOP(=O)(O)O)C,
,,4ZAF,,,,,,,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:306,invalid,,,,,C(#N)[S-],
,,,SCN:A:305,invalid,,,,,C(#N)[S-],
,,,K:A:307,invalid,,,,,[K+],
,,,4LR:A:301,valid,Kd,=,12,uM,CC(=CCOP(=O)(O)O)C,
,,,FMN:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QLL,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,4LR:A:401,valid,,,,,CC(=CCOP(=O)(O)O)C,
,,,FNR:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZQU,,,,,,,
,,,FNR:A:1208,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZAY,,,,,,,
,,,4LS:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,,K:A:305,invalid,,,,,[K+],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4ZAG,,,,,,,
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,4LR:A:301,valid,Kd,=,12,uM,CC(=CCOP(=O)(O)O)C,
,,,K:A:304,Part of Protein,,,,,[K+],
,,,FMN:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4ZAV,,,,,,,
,,,4LS:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,,SCN:A:305,invalid,,,,,C(#N)[S-],
,,,NA:A:306,invalid,,,,,[Na+],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6QLK,,,,,,,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,4LU:A:301,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4ZAX,,,,,,,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,4LU:A:301,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,6QLJ,,,,,,,
,,,4LS:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6QLH,,,,,,,
,,,IP8:A:302,valid,,,,,CC(=C)CCOP(=O)(O)O,
,,,FNR:A:303,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,4ZAN,,,,,,,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,4LR:A:301,valid,Kd,=,12,uM,CC(=CCOP(=O)(O)O)C,
,,,K:A:305,invalid,,,,,[K+],
,,,FMN:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QLV,,,,,,,
,,,ACT:F:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:J:302,invalid,,,,,CC(=O)[O-],
,,,ACT:G:302,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:H:303,invalid,,,,,CC(=O)[O-],
,,,ACT:I:303,invalid,,,,,CC(=O)[O-],
,,,HZZ:J:303,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:I:302,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:H:302,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:G:301,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:B:303,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:C:301,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:A:301,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:K:301,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,HZZ:L:302,valid,,,,,CC(=CCC/C(=CCOP(=O)(O)O)/C)C,
,,,NA:J:304,Part of Protein,,,,,[Na+],
,,,NA:F:303,Part of Protein,,,,,[Na+],
,,,NA:G:304,Part of Protein,,,,,[Na+],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:D:301,Part of Protein,,,,,[Na+],
,,,NA:I:301,Part of Protein,,,,,[Na+],
,,,NA:C:304,Part of Protein,,,,,[Na+],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FMN:L:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:K:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:J:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HJN:G:303,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HJN:C:303,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,HJN:I:304,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2C/C=C(/C)CCC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4ZAZ,,,,,,,
,,,4LS:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2CC=C(C)C)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SCN:A:304,invalid,,,,,C(#N)[S-],
,,,SCN:A:303,invalid,,,,,C(#N)[S-],
,,,SCN:A:302,invalid,,,,,C(#N)[S-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:A:305,invalid,,,,,[Na+],
,Family. Representative Entry is ,6N96,,,,,,,
,,,SO5:F:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,SO5:E:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,SO5:D:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,SO5:C:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,SO5:B:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,SO5:A:302,valid,Ki,=,3.8,uM,C[C@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:C:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:A:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:C:303,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:D:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:F:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:E:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:F:303,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,LCV:B:301,valid,Ki,=,3.8,uM,C[C@@H](C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,,6N93,,,,,,,
,,,PG4:C:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,KGA:E:302,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:B:301,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:A:301,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:F:301,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:C:301,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:E:301,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:F:303,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:C:303,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGA:D:302,valid,Ki,=,20.6,uM,CC(=[N+]([O-])[O-])C(=O)OCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,NI:F:302,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,IMD:F:305,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,K:C:302,Part of Protein,,,,,[K+],
,,,KG7:F:304,valid,,,,,C/C(=NO)/C(=O)O,
,,6N95,,,,,,,
,,,YXR:F:302,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXR:C:302,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXR:A:302,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXR:B:302,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXR:D:303,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXR:E:302,valid,Ki,=,7.5,uM,C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,PG4:C:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:F:304,invalid,,,,,C(COCCOCCO)O,
,,,YXS:B:301,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXS:A:301,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXS:E:301,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXS:D:302,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXS:F:301,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YXS:C:301,valid,Ki,=,7.5,uM,C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,K:C:303,Part of Protein,,,,,[K+],
,,,K:F:303,invalid,,,,,[K+],
,,,PEG:C:305,invalid,,,,,C(COCCO)O,
,,,PEG:F:305,invalid,,,,,C(COCCO)O,
,,,NI:A:303,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,6N92,,,,,,,
,,,KFV:F:303,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:C:301,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:D:302,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:A:301,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:B:301,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:E:302,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:F:301,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:C:303,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KFV:E:301,valid,Ki,=,10.8,uM,CC(=[N+]([O-])[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,PG4:C:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,NI:F:302,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,IMD:F:305,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,K:C:302,Part of Protein,,,,,[K+],
,,,KG7:F:304,valid,,,,,C/C(=NO)/C(=O)O,
,,6N97,,,,,,,
,,,KGP:F:302,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,KGP:C:302,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,KGP:D:302,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,KGP:B:302,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,KGP:E:303,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,KGP:A:302,valid,Ki,=,7.1,uM,C[C@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:F:303,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:C:303,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:D:301,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:B:301,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:C:301,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:A:301,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:F:301,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:E:304,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,YZS:E:302,valid,Ki,=,7.1,uM,C[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)S(=O)(=O)O,
,,,NI:A:303,Part of Protein,,,,,[Ni+2],
,,,NI:E:301,Part of Protein,,,,,[Ni+2],
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,,6N94,,,,,,,
,,,PGE:F:304,invalid,,,,,C(COCCOCCO)O,
,,,KGJ:A:301,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:E:302,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:E:301,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:F:301,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:C:301,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:C:302,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:B:301,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:D:302,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,KGJ:F:302,valid,Ki,=,19.8,uM,CC(=[N+]([O-])[O-])C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,,,NI:D:301,Part of Protein,,,,,[Ni+2],
,,,K:C:303,Part of Protein,,,,,[K+],
,,,K:F:303,invalid,,,,,[K+],
,,,PG4:C:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:302,invalid,,,,,C(COCCO)O,
,,,PEG:C:304,invalid,,,,,C(COCCO)O,
,,,IMD:D:303,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,4ZAC,,,,,,,
,,,4LU:D:603,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:A:604,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:C:603,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:B:604,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:C:604,Part of Protein,,,,,[Na+],
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:C:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,MN:D:601,Part of Protein,,,,,[Mn+2],
,,,K:C:602,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:D:602,Part of Protein,,,,,[K+],
,,4S13,,,,,,,
,,,4VP:A:601,valid,,,,,C=Cc1ccc(cc1)O,
,,,4VP:G:601,valid,,,,,C=Cc1ccc(cc1)O,
,,,4VP:E:601,valid,,,,,C=Cc1ccc(cc1)O,
,,,4VP:F:601,valid,,,,,C=Cc1ccc(cc1)O,
,,,4VP:C:601,valid,,,,,C=Cc1ccc(cc1)O,
,,6EVE,,,,,,,
,,,4LU:C:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:B:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:D:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:D:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,,,K:C:603,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:603,Part of Protein,,,,,[K+],
,,6EVF,,,,,,,
,,,4LU:C:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:A:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:B:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:D:601,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,K:D:603,Part of Protein,,,,,[K+],
,,,K:C:603,Part of Protein,,,,,[K+],
,,,K:A:603,Part of Protein,,,,,[K+],
,,,K:B:603,Part of Protein,,,,,[K+],
,,,MN:D:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:C:602,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3NX2,,,,,,,
,,,FER:A:169,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,Family. Representative Entry is ,6DA9,,,,,,,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,UNL:A:514,invalid,,,,,NULL,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1SBZ,,,,,,,
,,,FMN:A:1401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2DVX,,,,,,,
,,,23A:A:1511,valid,,,,,c1cc(c(c(c1)O)O)C=O,
,,,23A:B:1512,valid,,,,,c1cc(c(c(c1)O)O)C=O,
,,,23A:C:1513,valid,,,,,c1cc(c(c(c1)O)O)C=O,
,,,23A:D:1514,valid,,,,,c1cc(c(c(c1)O)O)C=O,
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1504,Part of Protein,,,,,[Zn+2],
,,2DVU,,,,,,,
,,,GRE:A:1511,valid,,,,,c1cc(c(c(c1)O)C(=O)O)O,
,,,GRE:B:1512,valid,,,,,c1cc(c(c(c1)O)C(=O)O)O,
,,,GRE:C:1513,valid,,,,,c1cc(c(c(c1)O)C(=O)O)O,
,,,GRE:D:1514,valid,,,,,c1cc(c(c(c1)O)C(=O)O)O,
,,,ZN:A:1501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1503,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1504,Part of Protein,,,,,[Zn+2],
2.4.1.5,,,,,,,,,
,Family. Representative Entry is ,5JBE,,,,,,,
,,,ACT:B:1704,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1705,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1706,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1706,invalid,,,,,CC(=O)[O-],
,,,SO4:B:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:1701,Part of Protein,,,,,[Ca+2],
,,,CA:B:1701,Part of Protein,,,,,[Ca+2],
,,,BGC:A:1707,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5JBF,,,,,,,
,,,CA:B:1704,Part of Protein,,,,,[Ca+2],
,,,CA:A:1704,Part of Protein,,,,,[Ca+2],
,,,SO4:B:1705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:I:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,4TVD,,,,,,,
,,,BGC:A:2907,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2909,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2902,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2908,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2905,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2911,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2906,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2910,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:2904,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,PEG:A:2912,invalid,,,,,C(COCCO)O,
,,,CA:A:2901,Part of Protein,,,,,[Ca+2],
,,,GLC:A:2903,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,4TTU,,,,,,,
,,,CA:A:2901,Part of Protein,,,,,[Ca+2],
,,,NA:A:2902,Part of Protein,,,,,[Na+],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC:A:2905,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PEG:A:2906,invalid,,,,,C(COCCO)O,
,,4TVC,,,,,,,
,,,NA:A:3001,Part of Protein,,,,,[Na+],
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:3000,Part of Protein,,,,,[Ca+2],
,,,GOL:A:3007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3006,invalid,,,,,C(C(CO)O)O,
,,,GLC:A:3005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3KLL,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1783,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1784,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1785,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1786,invalid,,,,,C(C(CO)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3HZ3,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
2.3.1.54,,,,,,,,,
,Family. Representative Entry is ,1H16,,,,,,,
,,,COA:A:1000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DTL:A:9009,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,DTL:A:9010,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,MG:A:9008,invalid,,,,,[Mg+2],
,,,NA:A:9001,Part of Protein,,,,,[Na+],
,,,NA:A:9002,Part of Protein,,,,,[Na+],
,,,NA:A:9003,Part of Protein,,,,,[Na+],
,,,NA:A:9004,Part of Protein,,,,,[Na+],
,,,NA:A:9005,Part of Protein,,,,,[Na+],
,,,NA:A:9006,Part of Protein,,,,,[Na+],
,,,NA:A:9007,Part of Protein,,,,,[Na+],
,,,PG4:A:9011,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9012,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9013,invalid,,,,,C(COCCOCCOCCO)O,
,,,PYR:A:1001,valid,,,,,CC(=O)C(=O)O,
,,1H17,,,,,,,
,,,COA:A:1000,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DTL:A:9009,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,DTL:A:9010,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,MG:A:9008,invalid,,,,,[Mg+2],
,,,NA:A:9001,Part of Protein,,,,,[Na+],
,,,NA:A:9002,Part of Protein,,,,,[Na+],
,,,NA:A:9003,Part of Protein,,,,,[Na+],
,,,NA:A:9004,Part of Protein,,,,,[Na+],
,,,NA:A:9005,Part of Protein,,,,,[Na+],
,,,NA:A:9006,Part of Protein,,,,,[Na+],
,,,NA:A:9007,Part of Protein,,,,,[Na+],
,,,OXM:A:1001,valid,,,,,C(=O)(C(=O)O)N,
,,,PG4:A:9011,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9012,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9013,invalid,,,,,C(COCCOCCOCCO)O,
,,1H18,,,,,,,
,,,DTL:A:9009,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,DTL:A:9010,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,DTL:B:9009,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,DTL:B:9010,valid,,,,,C([C@@H]([C@H](CO)O)O)O,
,,,NA:A:9001,Part of Protein,,,,,[Na+],
,,,NA:A:9002,Part of Protein,,,,,[Na+],
,,,NA:A:9004,Part of Protein,,,,,[Na+],
,,,NA:B:9001,Part of Protein,,,,,[Na+],
,,,NA:B:9003,Part of Protein,,,,,[Na+],
,,,NA:B:9006,Part of Protein,,,,,[Na+],
,,,NA:B:9007,Part of Protein,,,,,[Na+],
,,,PG4:A:9011,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9012,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:9013,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:9011,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:9013,invalid,,,,,C(COCCOCCOCCO)O,
,,,PYR:A:1001,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1001,valid,,,,,CC(=O)C(=O)O,
4.1.2.-,,,,,,,,,
,Family. Representative Entry is ,1Q6O,,,,,,,
,,,LG6:A:7301,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,LG6:B:9301,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:7300,Part of Protein,,,,,[Mg+2],
,,,MG:B:9300,Part of Protein,,,,,[Mg+2],
,,1SO6,,,,,,,
,,,MG:A:2300,Part of Protein,,,,,[Mg+2],
,,,MG:B:1300,Part of Protein,,,,,[Mg+2],
,,,TX4:A:2301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,,TX4:B:1301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,1Q6R,,,,,,,
,,,LX1:A:7301,valid,,,,,C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O,
,,,LX1:B:9301,valid,,,,,C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O,
,,,MG:A:7300,Part of Protein,,,,,[Mg+2],
,,,MG:B:9300,Part of Protein,,,,,[Mg+2],
,,1KW1,,,,,,,
,,,LG6:A:502,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,LG6:B:501,valid,,,,,C([C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,1SO4,,,,,,,
,,,MG:A:2300,Part of Protein,,,,,[Mg+2],
,,,MG:B:1300,Part of Protein,,,,,[Mg+2],
,,,TX4:A:1301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,,TX4:B:2301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,1XBV,,,,,,,
,,,5RP:A:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:502,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,1Q6Q,,,,,,,
,,,LXP:A:7301,valid,,,,,C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O,
,,,LXP:B:9301,valid,,,,,C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O,
,,,MG:A:7300,Part of Protein,,,,,[Mg+2],
,,,MG:B:9300,Part of Protein,,,,,[Mg+2],
,,1SO5,,,,,,,
,,,MG:A:2300,Part of Protein,,,,,[Mg+2],
,,,MG:B:1300,Part of Protein,,,,,[Mg+2],
,,,TX4:A:2301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,,TX4:B:1301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,1Q6L,,,,,,,
,,,MG:A:5300,Part of Protein,,,,,[Mg+2],
,,,MG:B:9300,Part of Protein,,,,,[Mg+2],
,,,TX4:A:5301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,,TX4:B:9301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,1SO3,,,,,,,
,,,MG:A:2300,Part of Protein,,,,,[Mg+2],
,,,MG:B:1300,Part of Protein,,,,,[Mg+2],
,,,TX4:A:2301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,,TX4:B:1301,valid,,,,,C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O,
,,1XBX,,,,,,,
,,,5RP:B:502,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,HMS:A:501,valid,,,,,C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,1XBZ,,,,,,,
,,,LX1:A:501,valid,,,,,C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O,
,,,LX1:B:502,valid,,,,,C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,1XBY,,,,,,,
,,,5RP:A:501,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,5RP:B:502,valid,,,,,C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3GLC,,,,,,,
,,,R5P:A:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:B:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:C:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:D:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:E:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:F:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:G:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:H:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:I:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:J:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:K:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:L:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:M:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:N:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:O:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:P:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:Q:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:R:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:S:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,,,R5P:T:400,valid,,,,,C(C(C(C(C=O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2V5K,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,OXM:A:302,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:302,valid,,,,,C(=O)(C(=O)O)N,
,,,PO4:A:1260,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1260,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4PTN,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:407,Part of Protein,,,,,[Mg+2],
,,,GXV:D:403,valid,,,,,C([C@@H](C=O)O)O,
,,,GXV:B:406,valid,,,,,C([C@@H](C=O)O)O,
,,,GXV:C:404,valid,,,,,C([C@@H](C=O)O)O,
,,,GXV:A:403,valid,,,,,C([C@@H](C=O)O)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:C:401,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PYR:B:408,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:405,valid,,,,,CC(=O)C(=O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
1.17.7.1,,,,,,,,,
,Family. Representative Entry is ,4S3F,,,,,,,
,,,F3S:A:901,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,43W:A:902,valid,ic50,=,580,nM,C#CCCOP(=O)(O)OP(=O)(O)O,
,,4G9P,,,,,,,
,,,CDI:A:502,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,MES:A:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4S3C,,,,,,,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,SF4:A:902,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,43Q:A:901,valid,,,,,C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O,
,,4S39,,,,,,,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,H6P:A:902,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,4S3B,,,,,,,
,,,SF4:A:902,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,43Q:A:901,valid,,,,,C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O,
,,4S23,,,,,,,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,H6P:B:503,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:A:503,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,4S3A,,,,,,,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,SF4:A:902,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,43Q:A:901,valid,,,,,C[C+](CO)[C@@H](COP(=O)(O)OP(=O)(O)O)O,
,,4S38,,,,,,,
,,,CDI:A:900,valid,,,,,C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO,
,,,1PE:A:908,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,MES:A:902,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PEG:A:906,invalid,,,,,C(COCCO)O,
,,,PEG:A:907,invalid,,,,,C(COCCO)O,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,4S3E,,,,,,,
,,,0CG:A:902,valid,ic50,=,770,nM,C#CCOP(=O)(O)OP(=O)(O)O,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
1.2.1.9,,,,,,,,,
,Family. Representative Entry is ,2QE0,,,,,,,
,,,G3H:A:800,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:B:800,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:C:800,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:D:800,invalid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,NAP:A:1476,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2476,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3476,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4476,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2ID2,,,,,,,
,,,NAP:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3003,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:3004,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2007,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1KY8,,,,,,,
,,,NA:A:1001,Part of Protein,,,,,[Na+],
,,,NAP:A:999,valid,Kd,=,1,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1UXN,,,,,,,
,,,AMP:A:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,NAP:A:1503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1UXU,,,,,,,
,,,AMP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,G3H:A:504,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,NA:A:754,Part of Protein,,,,,[Na+],
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1UXT,,,,,,,
,,,G1P:A:1502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,NAD:A:1503,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1UXV,,,,,,,
,,,AMP:A:1503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,NAP:A:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1UXR,,,,,,,
,,,F6P:A:1503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,NAP:A:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1UXQ,,,,,,,
,,,G1P:A:1503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O,
,,,NA:A:1504,Part of Protein,,,,,[Na+],
,,,NAP:A:1502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.1.2.5,,,,,,,,,
,Family. Representative Entry is ,1QD1,,,,,,,
,,,FON:A:330,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,FON:B:2330,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,GOL:A:480,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2480,invalid,,,,,C(C(CO)O)O,
4.4.1.14,,,,,,,,,
,Family. Representative Entry is ,1M7Y,,,,,,,
,,,MRD:A:701,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PPG:A:600,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C(C=COCCN)/C(=O)O)O,
,,1M4N,,,,,,,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PLP AAD:A:501,valid,,,,,[SH0](CC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)(C)=[C-]CON=Cc1c(O)c(C)ncc1COP(=O)([O-])[O-],
,,3PIU,,,,,,,
,,,PLR:A:500,valid,,,,,Cc1c(cnc(c1O)C)COP(=O)(O)O,
1.6.6.9,,,,,,,,,
,Family. Representative Entry is ,1TMO,,,,,,,
,,,2MD:A:799,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,2MD:A:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@@H]([C@@H]([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,6351_:A:801,Part of Protein,,,,,,
,,,6352_6353_:A:801,invalid,,,,,,
3.6.1.3,,,,,,,,,
,Family. Representative Entry is ,6G3R,,,,,,,
,,,TEW:A:402,invalid,,,,,[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3GDQ,,,,,,,
,,,ADP:A:388,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:389,invalid,,,,,C(C(CO)O)O,
,,,MN:A:390,invalid,,,,,[Mn+2],
,,,PO4:A:387,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3JXU,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6HDN,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,FZB:A:1206,valid,ic50,=,3.16,uM,CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C,
,,5A5R,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,NP8:A:2111,valid,ic50,=,1.3,uM,CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC,
,,,SO4:A:2112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A82,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2111,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YEJ:A:2112,valid,ic50,=,2.51,uM,CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4,
,,5A5Q,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,6XC:A:2111,valid,Kd,=,21,uM,CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3,
,,,SO4:A:2112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6S55,,,,,,,
,,,KW5:A:1205,valid,,,,,C[C@H]1CCCN(C1)S(=O)(=O)c2cc(ccc2Br)NC(=O)CN3C(=O)CNC3=O,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,5A81,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,78J:A:2111,valid,Kd,=,2.9,uM,CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4,
,,,SO4:A:2112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A5P,,,,,,,
,,,JTF:A:2111,valid,ic50,=,0.1,mM,CC1=Cc2cccc(c2NC1=O)NCCN(C)C,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,SO4:A:2112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TU4,,,,,,,
,,,DMS:A:1206,invalid,,,,,CS(=O)C,
,,,GOL:A:1202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,37N:A:1204,valid,Kd,=,175,uM,Cc1c(c(on1)C)c2cc(cc(c2)NS(=O)(=O)c3ccccc3)C(=O)O,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1205,invalid,,,,,[Cl-],
,,4TZ8,,,,,,,
,,,39U:A:1204,valid,Kd,=,500,uM,CC1(Cc2c(sc(n2)N)C(=O)NC1)C,
,,,CL:A:1203,invalid,,,,,[Cl-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5A5O,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2111,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,J5I:A:2112,valid,,,,,CC1=Cc2ccccc2NC1=O,
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6S57,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,KVT:A:1202,valid,,,,,Cc1ccc(cc1S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)C(NC3=O)(C)C,
,,5A5N,,,,,,,
,,,EDO:A:2109,invalid,,,,,C(CO)O,
,,,EDO:A:2110,invalid,,,,,C(CO)O,
,,,8WS:A:2111,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)NC)NC(=O)C,
,,,SO4:A:2112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TTE,,,,,,,
,,,36Z:A:1204,valid,Kd,=,202,uM,Cc1c(c(on1)C)c2cc(cc(c2)N)C(=O)OC,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1202,invalid,,,,,[Cl-],
,,4TYL,,,,,,,
,,,CL:A:1206,invalid,,,,,[Cl-],
,,,CL:A:1204,invalid,,,,,[Cl-],
,,,CL:A:1202,invalid,,,,,[Cl-],
,,,CL:A:1205,invalid,,,,,[Cl-],
,,,39O:A:1203,valid,Kd,=,600,uM,Cc1cc2c(cc1N)N(C(=O)N2C)C,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TZ2,,,,,,,
,,,TRS:A:1202,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:A:1203,invalid,,,,,[Cl-],
,,,CL:A:1204,invalid,,,,,[Cl-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,39R:A:1205,valid,Kd,=,350,uM,c1ccc(cc1)c2[nH]c(nn2)c3cccc(c3)N,
,,5A83,,,,,,,
,,,SO4:A:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YD3:A:1112,valid,ic50,=,0.158,uM,Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@H]4CCNC[C@H]4OCC5CCS(=O)(=O)CC5,
,,,EDO:A:1109,invalid,,,,,C(CO)O,
,,,EDO:A:1111,invalid,,,,,C(CO)O,
,,,EDO:A:1110,invalid,,,,,C(CO)O,
,,5LJ0,,,,,,,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,6XX:A:1205,valid,ic50,=,0.00000001,M,Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC,
,,,SO4:A:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6S56,,,,,,,
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KVZ:A:1205,valid,,,,,CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CN2C(=O)[C@]3(CCCc4c3cccc4)NC2=O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4YDS,,,,,,,
,,,ATP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2BUP,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:452,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,ATP:A:489,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1KAZ,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:455,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,K:A:492,Part of Protein,,,,,[K+],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,1QQN,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:492,invalid,,,,,[Cl-],
,,,CL:A:493,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NGH,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1ATR,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NGC,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NGF,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1BA1,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:455,invalid,,,,,[Cl-],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,NA:A:491,invalid,,,,,[Na+],
,,3HSC,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,NA:A:491,Part of Protein,,,,,[Na+],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1BA0,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:455,invalid,,,,,[Cl-],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,NA:A:490,Part of Protein,,,,,[Na+],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1QQO,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:491,invalid,,,,,[Cl-],
,,,CL:A:492,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,2QWL,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,MG:A:587,invalid,,,,,[Mg+2],
,,,MG:B:687,invalid,,,,,[Mg+2],
,,,NA:A:589,Part of Protein,,,,,[Na+],
,,,NA:A:590,Part of Protein,,,,,[Na+],
,,,NA:B:689,Part of Protein,,,,,[Na+],
,,,NA:B:690,Part of Protein,,,,,[Na+],
,,1NGG,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,6B1I,,,,,,,
,,,ADP:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,1ATS,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,1NGJ,,,,,,,
,,,ANP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,1NGE,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1KAY,,,,,,,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:455,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,K:A:492,Part of Protein,,,,,[K+],
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG A:487:0,invalid,,,,,,
,,1BUP,,,,,,,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:828,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1QQM,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:491,invalid,,,,,[Cl-],
,,,CL:A:492,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6ZYJ,,,,,,,
,,,ADP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,CA:B:604,invalid,,,,,[Ca+2],
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,6B1N,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,1KAX,,,,,,,
,,,ATP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:451,invalid,,,,,[Cl-],
,,,CL:A:455,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,K:A:492,Part of Protein,,,,,[K+],
,,,MG:A:487,invalid,,,,,[Mg+2],
,,1NGD,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QWM,,,,,,,
,,,ADP:B:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,MG  VO4:B:687,invalid,,,,,,
,,,NA:A:589,Part of Protein,,,,,[Na+],
,,,NA:A:590,Part of Protein,,,,,[Na+],
,,,NA:B:689,Part of Protein,,,,,[Na+],
,,,NA:B:690,Part of Protein,,,,,[Na+],
,,,MG VO4:A:587,invalid,,,,,,
,,1NGA,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,4H5T,,,,,,,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1NGI,,,,,,,
,,,ANP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:489,Part of Protein,,,,,[Ca+2],
,,6B1M,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,1HPM,,,,,,,
,,,CL:A:523,invalid,,,,,[Cl-],
,,,CL:A:828,invalid,,,,,[Cl-],
,,,K:A:490,Part of Protein,,,,,[K+],
,,,K:A:491,Part of Protein,,,,,[K+],
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1NGB,,,,,,,
,,,ADP:A:486,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:487,invalid,,,,,[Mg+2],
,,,PO4:A:488,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5A67,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,3PO:A:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,5A5Y,,,,,,,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:B:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:B:1103,invalid,,,,,C(CO)O,
,,,EDO:B:1100,invalid,,,,,C(CO)O,
,,,EDO:B:1104,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1100,invalid,,,,,C(CO)O,
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,3PO:B:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,3PO:A:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,5A66,,,,,,,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,EDO:B:1101,invalid,,,,,C(CO)O,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,EDO:B:1102,invalid,,,,,C(CO)O,
,,,EDO:B:1100,invalid,,,,,C(CO)O,
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,3PO:A:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,3PO:B:1000,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,5AR0,,,,,,,
,,,GB8:A:1384,valid,Kd,=,720,nM,c1cc2cc(ccc2nc1)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N,
,,,GOL:A:1386,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1385,invalid,,,,,C(C(CO)O)O,
,,,CL:A:1390,invalid,,,,,[Cl-],
,,,DMS:A:1388,invalid,,,,,CS(=O)C,
,,,DMS:A:1389,invalid,,,,,CS(=O)C,
,,6ZYI,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,invalid,,,,,[Ca+2],
,,1HJO,,,,,,,
,,,ADP:A:383,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:384,invalid,,,,,[Ca+2],
,,,CL:A:385,invalid,,,,,[Cl-],
,,6G3S,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TEW:A:407,invalid,,,,,[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O],
,,,TEW:A:408,invalid,,,,,[O-]=[W]123(O[W]45(=O)(O1[Te]6789O2[W]1(=O)(O3)(O6[W]2(=O)(O1)(O7[W]1(=O)(O2)(O8[W](=O)(O94)(O5)(O1)[O-])[O-])[O-])[O-])[O-])[O],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,6FHK,,,,,,,
,,,K:B:404,Part of Protein,,,,,[K+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4 ADP MG :B:402,invalid,,,,,,
,,3AY9,,,,,,,
,,,ADP:A:1452,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:6269,Part of Protein,,,,,[Ca+2],
,,,CL:A:6268,invalid,,,,,[Cl-],
,,,K:A:6267,Part of Protein,,,,,[K+],
,,,MG:A:6266,invalid,,,,,[Mg+2],
,,,PO4:A:6265,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AQX,,,,,,,
,,,KC7:A:1390,valid,,,,,c1ccc(cc1)COc2cccc3c2c(ncn3)N[C@@H]4C[C@@H]([C@H]([C@H]4O)O)CO,
,,,DMS:A:1391,invalid,,,,,CS(=O)C,
,,,DMS:A:1392,invalid,,,,,CS(=O)C,
,,,CL:A:1393,invalid,,,,,[Cl-],
,,5MKR,,,,,,,
,,,TI8:A:401,valid,Ki,=,17,uM,C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O,
,,,FLC:A:402,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5AQW,,,,,,,
,,,EDO:A:1390,invalid,,,,,C(CO)O,
,,,EDO:A:1394,invalid,,,,,C(CO)O,
,,,EDO:A:1393,invalid,,,,,C(CO)O,
,,,EDO:A:1392,invalid,,,,,C(CO)O,
,,,EDO:A:1398,invalid,,,,,C(CO)O,
,,,EDO:A:1391,invalid,,,,,C(CO)O,
,,,EDO:A:1389,invalid,,,,,C(CO)O,
,,,EDO:A:1388,invalid,,,,,C(CO)O,
,,,EDO:A:1396,invalid,,,,,C(CO)O,
,,,EDO:A:1395,invalid,,,,,C(CO)O,
,,,EDO:A:1399,invalid,,,,,C(CO)O,
,,,EDO:A:1397,invalid,,,,,C(CO)O,
,,,PO4:A:1386,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:1400,invalid,,,,,[Mg+2],
,,,DTV:A:1387,invalid,,,,,C([C@H]([C@@H](CS)O)O)S,
,,,5P7:A:1385,valid,,,,,c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO,
,,5MKS,,,,,,,
,,,TI8:A:401,valid,Ki,=,17,uM,C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O,
,,3ATU,,,,,,,
,,,ADP:A:1452,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:6266,invalid,,,,,[Mg+2],
,,,NA:A:6267,Part of Protein,,,,,[Na+],
,,,PG0:A:6308,invalid,,,,,COCCOCCO,
,,,PO4:A:6265,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1S3X,,,,,,,
,,,ADP:A:383,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:385,Part of Protein,,,,,[Ca+2],
,,,CA:A:386,Part of Protein,,,,,[Ca+2],
,,,NA:A:387,Part of Protein,,,,,[Na+],
,,,NA:A:388,Part of Protein,,,,,[Na+],
,,,PO4:A:384,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AQZ,,,,,,,
,,,SGV:A:1389,valid,Kd,=,3.3,uM,c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N,
,,,EDO:A:1391,invalid,,,,,C(CO)O,
,,,EDO:A:1390,invalid,,,,,C(CO)O,
,,,EDO:A:1393,invalid,,,,,C(CO)O,
,,,EDO:A:1392,invalid,,,,,C(CO)O,
,,2E8A,,,,,,,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,3ATV,,,,,,,
,,,ADP:A:1452,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1454,invalid,,,,,[Cl-],
,,,K:A:1453,Part of Protein,,,,,[K+],
,,5AQY,,,,,,,
,,,EDO:A:1405,invalid,,,,,C(CO)O,
,,,EDO:A:1403,invalid,,,,,C(CO)O,
,,,EDO:A:1390,invalid,,,,,C(CO)O,
,,,EDO:A:1394,invalid,,,,,C(CO)O,
,,,EDO:A:1400,invalid,,,,,C(CO)O,
,,,EDO:A:1393,invalid,,,,,C(CO)O,
,,,EDO:A:1392,invalid,,,,,C(CO)O,
,,,EDO:A:1406,invalid,,,,,C(CO)O,
,,,EDO:A:1410,invalid,,,,,C(CO)O,
,,,EDO:A:1398,invalid,,,,,C(CO)O,
,,,EDO:A:1391,invalid,,,,,C(CO)O,
,,,EDO:A:1407,invalid,,,,,C(CO)O,
,,,EDO:A:1409,invalid,,,,,C(CO)O,
,,,EDO:A:1396,invalid,,,,,C(CO)O,
,,,EDO:A:1395,invalid,,,,,C(CO)O,
,,,EDO:A:1402,invalid,,,,,C(CO)O,
,,,EDO:A:1399,invalid,,,,,C(CO)O,
,,,EDO:A:1397,invalid,,,,,C(CO)O,
,,,EDO:A:1404,invalid,,,,,C(CO)O,
,,,EDO:A:1408,invalid,,,,,C(CO)O,
,,,EDO:A:1401,invalid,,,,,C(CO)O,
,,,DMS:A:1411,invalid,,,,,CS(=O)C,
,,,ADN:A:1389,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,MG:A:1412,invalid,,,,,[Mg+2],
3.1.3.7,,,,,,,,,
,Family. Representative Entry is ,1KA1,,,,,,,
,,,A3P:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,BME:A:602,invalid,,,,,C(CS)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,1K9Y,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BME:A:503,invalid,,,,,C(CS)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1QGX,,,,,,,
,,,AMP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BME:A:407,invalid,,,,,C(CS)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KA0,,,,,,,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,5DJH,,,,,,,
,,,AMP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,5DJG,,,,,,,
,,,LI:A:302,Part of Protein,,,,,[Li+],
,,,A3P:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,5DJI,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AMP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1JP4,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BME:A:801,invalid,,,,,C(CS)O,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
1.1.1.184,,,,,,,,,
,Family. Representative Entry is ,3WXB,,,,,,,
,,,NDP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2ZAT,,,,,,,
,,,NAP:A:1261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:2261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:3261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:4261,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1CYD,,,,,,,
,,,IPA:A:246,invalid,,,,,CC(C)O,
,,,IPA:B:246,invalid,,,,,CC(C)O,
,,,IPA:C:246,invalid,,,,,CC(C)O,
,,,IPA:D:246,invalid,,,,,CC(C)O,
,,,NDP:A:245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:245,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,5OJI,,,,,,,
,,,ISN:B:302,valid,,,,,c1ccc2c(c1)C(=O)C(=O)N2,
,,,ISN:A:302,valid,,,,,c1ccc2c(c1)C(=O)C(=O)N2,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,5OJG,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,BUO:A:302,valid,,,,,CC(=O)C(=O)C,
,,,BUO:B:302,valid,,,,,CC(=O)C(=O)C,
,Family. Representative Entry is ,1WMA,,,,,,,
,,,AB3:A:307,valid,ic50,=,788,nM,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,AB3:A:308,valid,ic50,=,788,nM,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,NDP:A:309,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,P33:A:311,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,PE5:A:310,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BHI,,,,,,,
,,,CL:A:308,invalid,,,,,[Cl-],
,,,NAP:A:309,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4Z3D,,,,,,,
,,,GSH:B:301,valid,Ka,=,87200,M^-1,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,Ka,=,87200,M^-1,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,Ka,=,87200,M^-1,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,Ka,=,87200,M^-1,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NDP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2PFG,,,,,,,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,DDD:A:504,valid,,,,,C1CC(=O)N2C[N@]([C@@H]1C(=O)O)CSC[C@H]2C(=O)NCC(=O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,3BHM,,,,,,,
,,,AB3:A:307,valid,,,,,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,AB3:A:308,valid,,,,,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,AHE:A:304,valid,,,,,C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:A:309,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BHJ,,,,,,,
,,,AB3:A:307,valid,,,,,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,AB3:A:308,valid,,,,,CC(C)(C)n1c2c(c(n1)c3cccc(c3)O)c(ncn2)N,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GSH:A:315,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NAP:A:309,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,P33:A:316,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,P33:A:317,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:320,invalid,,,,,[O-]S(=O)(=O)[O-],
3.4.23.15,,,,,,,,,
,Family. Representative Entry is ,3D91,,,,,,,
,,,DMS:A:351,invalid,,,,,CS(=O)C,
,,,DMS:B:351,invalid,,,,,CS(=O)C,
,,,REM:A:350,valid,Kd,=,131,pM,CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O,
,,,REM:B:350,valid,Kd,=,131,pM,CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O,
,,1HRN,,,,,,,
,,,03D:A:391,valid,ic50,=,9,nM,CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O,
,,,03D:B:391,valid,ic50,=,9,nM,CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC2CC2)C[C@@H]([C@H](Cc3ccccc3)O)O)O)O,
,,,NAG:A:367,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:367,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2V0Z,,,,,,,
,,,C41:C:1328,valid,ic50,=,0.0006,uM,CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,
,,,C41:O:1327,valid,ic50,=,0.0006,uM,CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N,
,,,NAG:C:1327,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:O:1328,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OWN,,,,,,,
,,,3OW:B:501,valid,,,,,CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C,
,,,3OX:A:500,valid,Ki,=,34,nM,CC(C)CNC(=O)[C@@H](C[C@@H]([C@@H]1COCc2cccc(c2)[C@H](NC(=O)c3cc(cc(c3)N(C)S(=O)(=O)C)C(=O)N1)c4ccccc4)O)C(C)C,
,,,ACT:A:800,invalid,,,,,CC(=O)[O-],
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,NA:A:802,invalid,,,,,[Na+],
,,,NA:A:803,invalid,,,,,[Na+],
,,2G21,,,,,,,
,,,L1B:A:885,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC,
,,,L1B:B:985,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3ccc[n+](c3c2)CCCOC,
,,4RYC,,,,,,,
,,,3ZK:A:1001,valid,ic50,=,0.08,uM,Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC,
,,,3ZK:B:1001,valid,ic50,=,0.08,uM,Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CNC[C@H]2CN(C(C)C)C(=O)c3ccc(c(c3)OCCCOC)OC,
,,,DMS:B:1002,invalid,,,,,CS(=O)C,
,,,NAG:B:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1BIL,,,,,,,
,,,0IU:A:391,valid,ic50,=,0.5,nM,NULL,
,,,0IU:B:391,valid,ic50,=,0.5,nM,NULL,
,,3KM4,,,,,,,
,,,22X:A:341,valid,ic50,=,1.3,nM,CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O,
,,,22X:A:400,valid,ic50,=,1.3,nM,CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O,
,,,22X:B:341,valid,ic50,=,1.3,nM,CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O,
,,,22X:B:400,valid,ic50,=,1.3,nM,CC(=O)NCCC[C@@](c1cccc(c1)Cl)([C@@H]2CCCN(C2)C(=O)N[C@@H](CC3CCCCC3)CNC)O,
,,,NAG:B:600,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,2G24,,,,,,,
,,,7IG:A:334,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F,
,,2IL2,,,,,,,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,LIX:A:401,valid,Kd,=,79,nM,CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC,
,,,LIX:B:402,valid,Kd,=,79,nM,CCc1c(c(nc(n1)N)NCCNS(=O)(=O)c2ccc3ccccc3c2)c4ccc5c(c4)N(C(=O)C(O5)(C)C)CCCOC,
,,5SY3,,,,,,,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:B:409,invalid,,,,,CS(=O)C,
,,,DMS:B:410,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:A:408,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,1PE:A:409,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,74Z:A:402,valid,ic50,=,43,uM,c1cc(oc1)CNc2c3c4c(sc3ncn2)CCCC4,
,,4Q1N,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG:B:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:B:402,invalid,,,,,CS(=O)C,
,,,DMS:B:401,invalid,,,,,CS(=O)C,
,,,2Y9:A:404,valid,ic50,=,0.2,nM,CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3,
,,,2Y9:B:404,valid,ic50,=,0.2,nM,CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(c2ccc(cn2)C(C)C)C3CC3,
,,2I4Q,,,,,,,
,,,UA4:A:336,valid,ic50,=,0.007,uM,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC,
,,,UA4:B:336,valid,ic50,=,0.007,uM,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)[C@](O3)(C)c4cc(cc(c4)F)F)CCCOC,
,,2BKS,,,,,,,
,,,PZ1:A:805,valid,ic50,=,37,nM,COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4,
,,4S1G,,,,,,,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,43T:B:502,valid,Ki,=,0.6,nM,C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C,
,,,43T:A:502,valid,Ki,=,0.6,nM,C[C@@H](c1ccccc1)NC(=O)c2cc(cc(c2)F)CN3C(=O)C[C@@](N=C3N)(C)C(C)C,
,,4XX3,,,,,,,
,,,70X:B:502,valid,Ki,=,56,nM,[H]/N=C1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C,
,,,70X:A:502,valid,Ki,=,56,nM,[H]/N=C1/N[C@](CC(=O)N1Cc2cccc(c2)C(=O)NCc3ccccc3)(C)C(C)C,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2G1S,,,,,,,
,,,4IG:A:885,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC,
,,,4IG:B:886,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)c4cc(cc(c4)F)F)CCCOC,
,,,NAG:A:985,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:986,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2G20,,,,,,,
,,,L1A:A:885,valid,,,,,CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O,
,,,L1A:B:886,valid,,,,,CC(C)C[C@@H]([C@@H]([C@@H](C[C@@H]1CCC=CC1)NC(=O)[C@H](Cc2csc(n2)N)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)N4CCOCC4)O)O,
,,5SXN,,,,,,,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,74U:A:403,valid,ic50,=,11,uM,c1ccc(cc1)c2nc3ccccc3c(n2)NCc4ccco4,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3G70,,,,,,,
,,,A5T:A:342,valid,ic50,=,0.4,nM,c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F,
,,,A5T:B:342,valid,ic50,=,0.4,nM,c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F,
,,,DMS:A:343,invalid,,,,,CS(=O)C,
,,,DMS:B:343,invalid,,,,,CS(=O)C,
,,,NAG:A:344,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:344,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2G1Y,,,,,,,
,,,5IG:A:885,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC,
,,,5IG:B:886,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCCOC,
,,,NAG:A:985,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:986,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2G1R,,,,,,,
,,,3IG:A:885,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C,
,,,3IG:B:886,valid,,,,,CCc1c(c(nc(n1)N)N)c2ccc3c(c2)N(C(=O)C(O3)(C)C)CCNC(=O)C,
,,,NAG:A:985,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:986,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4GJC,,,,,,,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,0MJ:A:1001,valid,ic50,=,0.09,uM,Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5,
,,,0MJ:B:1001,valid,ic50,=,0.09,uM,Cc1ccc(cc1)S(=O)(=O)N[C@@H]2C[C@@H](CNC2)C(=O)NCC3c4ccccc4Oc5c3cccc5,
,,,NAG:A:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4GJ8,,,,,,,
,,,0LU:A:1002,valid,,,,,c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O,
,,,0LU:A:1001,valid,,,,,c1ccc2c(c1)C(c3ccccc3S2)C[C@@H](CN4CCCC4)O,
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0LW:B:1001,valid,,,,,c1ccc2c(c1)C(c3ccccc3S2)C[C@H](CN4CCCC4)O,
,,5SY2,,,,,,,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,,,74V:B:402,valid,ic50,=,11,uM,CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C,
,,,74V:A:402,valid,ic50,=,11,uM,CCN([C@H]1CCCNC1)C(=O)c2cnc(nc2NCc3ccco3)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,1PE:B:403,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5KOS,,,,,,,
,,,DMS:A:410,invalid,,,,,CS(=O)C,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:B:404,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:408,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:409,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PEG:A:412,invalid,,,,,C(COCCO)O,
,,,PEG:A:411,invalid,,,,,C(COCCO)O,
,,,PEG:B:403,invalid,,,,,C(COCCO)O,
,,,6VS:B:402,valid,ic50,=,1.5,nM,CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C,
,,,6VS:A:402,valid,ic50,=,1.5,nM,CC(C)CN([C@H]1C[C@H](CNC1)C(=O)N2CCOCC2)C(=O)c3cnc(nc3NCCCOC)C(C)(C)C,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3G72,,,,,,,
,,,A6T:A:343,valid,ic50,=,0.8,nM,c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F,
,,,A6T:B:343,valid,ic50,=,0.8,nM,c1cc(c(c(c1)Cl)Cl)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)c5ccc(cc5)CCCOc6c(ccc(c6Cl)F)F,
,,,DMS:A:341,invalid,,,,,CS(=O)C,
,,,DMS:B:341,invalid,,,,,CS(=O)C,
,,,NAG:A:342,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:342,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3G6Z,,,,,,,
,,,A7T:A:342,valid,ic50,=,0.2,nM,Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl,
,,,A7T:B:342,valid,ic50,=,0.2,nM,Cc1cccc(c1C)CN(C2CC2)C(=O)C3=C(C[C@@H]4CNC[C@H]3N4)c5ccc(cc5)OCCOc6c(cc(cc6Cl)C)Cl,
,,,NAG:A:343,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:343,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:344,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3GW5,,,,,,,
,,,72X:A:400,valid,ic50,=,0.47,nM,CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O,
,,,72X:B:400,valid,ic50,=,0.47,nM,CNC[C@H](CC1CCCCC1)NC(=O)N2CCC[C@H](C2)[C@@](CCCCOC)(c3cccc(c3)Cl)O,
,,,CL:A:700,invalid,,,,,[Cl-],
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,NAG:B:600,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3SFC,,,,,,,
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:329,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:327,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:367,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:367,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,S53:A:330,valid,ic50,=,0.003,uM,Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F,
,,,S53:A:331,valid,ic50,=,0.003,uM,Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F,
,,,S53:B:328,valid,ic50,=,0.003,uM,Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F,
,,2IKO,,,,,,,
,,,7IG:A:601,valid,Kd,=,3571,nM,CCc1c(c(nc(n1)N)N)c2ccc(cc2)NCc3cc(cc(c3)F)F,
,,3K1W,,,,,,,
,,,BFX:A:342,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl,
,,,BFX:B:342,valid,,,,,c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4ccc(cc4)CCCOc5cc(ccc5Br)F)Cl,
,,,CL:B:343,invalid,,,,,[Cl-],
,,,FMT:A:343,invalid,,,,,C(=O)O,
,,,FMT:B:344,invalid,,,,,C(=O)O,
,,,HSQ:B:345,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O,
,,,NAG:A:344,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4XX4,,,,,,,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,70Y:A:502,valid,Ki,=,44,nM,[H]/N=C1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C,
,,,70Y:B:501,valid,Ki,=,44,nM,[H]/N=C1/N[C@](CC(=O)N1Cc2cccc(c2)N3C[C@H](CC3=O)c4ccccc4)(C)C(C)C,
,,2FS4,,,,,,,
,,,PZ1:B:805,valid,ic50,=,37,nM,COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COC4=CC5C(=CC=CN5CCCO)C=C4,
,,2BKT,,,,,,,
,,,RPF:A:567,valid,ic50,=,23,nM,COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5,
,,,RPF:B:567,valid,ic50,=,23,nM,COc1ccccc1COCCCOc2ccc(cc2)N3[C@@H](CNCC3=O)COc4ccc5c(c4)NCCC5,
,,4GJ5,,,,,,,
,,,0LR:A:1001,valid,,,,,c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3,
,,,0LR:B:1001,valid,,,,,c1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4ccccc4c3,
,,,NAG:A:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2G22,,,,,,,
,,,6IG:A:885,valid,,,,,CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC,
,,,6IG:B:886,valid,,,,,CCc1c(c(nc(n1)N)NCCc2ccccc2)c3ccc4c(c3)N(CCC4)CCCOC,
,,,NAG:A:985,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:986,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1RNE,,,,,,,
,,,C60:A:350,valid,ic50,=,2,nM,CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(Cc2cnc[nH]2)NC(=O)C(Cc3ccccc3)CS(=O)(=O)C(C)(C)C)O)C(C)C,
,,,NGA:A:345,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,2G26,,,,,,,
,,,3LG:B:805,valid,,,,,COc1ccccc1COCCCOc2ccc(cc2)N3[C@H](CNCC3=O)COc4ccc5c(c4)ccn5CC(=O)O,
,Family. Representative Entry is ,1SMR,,,,,,,
,,,PIV HIS PRO PHE HIS LPL TYR TYR SER:B:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1)C(C)(C)C,
,,,PIV HIS PRO PHE HIS LPL TYR TYR SER:D:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1)C(C)(C)C,
,,,PIV HIS PRO PHE HIS LPL TYR TYR SER:F:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1)C(C)(C)C,
,,,PIV HIS PRO PHE HIS LPL TYR TYR SER:H:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(O)CC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc2ccc(O)cc2)Cc2ccc(O)cc2)CC(C)C)CC(C)C)Cc2nc[nH]c2)Cc2ccccc2)CCC1)Cc1nc[nH]c1)C(C)(C)C,
,Family. Representative Entry is ,3O9L,,,,,,,
,,,LPN:A:168,valid,ic50,=,0.22,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl,
,,,LPN:C:167,valid,ic50,=,0.22,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl,
,,,NAG:A:167,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OAG,,,,,,,
,,,LPQ:A:167,valid,ic50,=,0.56,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl,
,,,LPQ:C:167,valid,ic50,=,0.56,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl,
,,,NAG:A:166,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:166,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3OAD,,,,,,,
,,,LPO:A:167,valid,ic50,=,0.24,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl,
,,,LPO:C:167,valid,ic50,=,0.24,nM,Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl,
,,,NAG:A:166,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:166,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
4.2.1.2,,,,,,,,,
,Family. Representative Entry is ,6NZB,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1FUQ,,,,,,,
,,,CIT:A:1001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SIF:A:1000,valid,,,,,C[Si](C)(C)C(CC(=O)O)C(=O)O,
,,,SIF:B:1001,valid,,,,,C[Si](C)(C)C(CC(=O)O)C(=O)O,
,,6NZC,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1FUP,,,,,,,
,,,MLT:A:473,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:473,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,PMA:A:474,valid,,,,,c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,,PMA:B:474,valid,,,,,c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,2FUS,,,,,,,
,,,CIT:A:468,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:468,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6NZ9,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6NZA,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:601,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1FUR,,,,,,,
,,,MLT:A:468,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,MLT:B:468,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,6S88,,,,,,,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,L0K:A:501,valid,ic50,=,0.67,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4,
,,,L0K:C:501,valid,ic50,=,0.67,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5CC4,
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,5F91,,,,,,,
,,,5WJ:A:501,valid,Ki,=,3.2,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,5WJ:C:501,valid,Ki,=,3.2,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:D:501,invalid,,,,,[Cl-],
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,6S43,,,,,,,
,,,KUE:A:501,valid,ic50,=,4,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4,
,,,KUE:C:501,valid,ic50,=,4,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCCCCCC4,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,4ADM,,,,,,,
,,,GOL:A:1468,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1467,invalid,,,,,C(C(CO)O)O,
,,,SRT:C:1466,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:1466,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6S7S,,,,,,,
,,,KZ8:A:501,valid,ic50,=,17,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4,
,,,KZ8:C:501,valid,ic50,=,17,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)Nc4ccccc4,
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,4APB,,,,,,,
,,,CA:A:1470,Part of Protein,,,,,[Ca+2],
,,,CA:B:1470,Part of Protein,,,,,[Ca+2],
,,,CA:D:1472,Part of Protein,,,,,[Ca+2],
,,,FUM:A:1469,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:B:1469,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:C:1469,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:D:1471,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,6S7Z,,,,,,,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,KZN:A:501,valid,ic50,=,2.2,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4,
,,,KZN:C:501,valid,ic50,=,2.2,uM,COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(=O)(=O)N4CCc5ccccc5C4,
,,6S7K,,,,,,,
,,,KYZ:C:501,valid,ic50,=,57,uM,CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC,
,,,KYZ:A:501,valid,ic50,=,57,uM,CNS(=O)(=O)c1ccc(c(c1)NC(=O)CC2=NNC(=O)c3c2cccc3)OC,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,6S7U,,,,,,,
,,,KZK:A:501,valid,,,,,COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,KZK:C:501,valid,,,,,COc1ccc(cc1NC(=O)Cc2c[nH]c3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,FMT:B:501,invalid,,,,,C(=O)O,
,,4ADL,,,,,,,
,,,LMR:C:1468,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:D:1468,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,6S7W,,,,,,,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,KZT:A:502,valid,ic50,=,4.1,uM,COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,KZT:A:501,valid,ic50,=,4.1,uM,COc1ccc(cc1NC(=O)Cc2ccnc3c2cccc3)S(=O)(=O)N4CCCCCC4,
,,,FMT:B:501,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,6MSN,,,,,,,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,JYD:B:602,valid,Ki,=,8.9,uM,C([C@@H](C(=O)O)S)C(=O)O,
,,,JYD:A:602,valid,Ki,=,8.9,uM,C([C@@H](C(=O)O)S)C(=O)O,
,,6UQ8,,,,,,,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,MLA:B:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6UO0,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:603,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:603,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6UOJ,,,,,,,
,,,SIN:B:602,valid,ic50,=,33.7,mM,C(CC(=O)O)C(=O)O,
,,,SIN:A:602,valid,ic50,=,33.7,mM,C(CC(=O)O)C(=O)O,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,5L2R,,,,,,,
,,,LMR:B:602,valid,ic50,=,9.8,mM,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:601,valid,ic50,=,9.8,mM,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:601,valid,ic50,=,9.8,mM,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,ic50,=,9.8,mM,C([C@@H](C(=O)O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:611,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:608,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,PEG:B:610,invalid,,,,,C(COCCO)O,
,,6UQB,,,,,,,
,,,MLA:B:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:604,valid,,,,,C(C(=O)O)C(=O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6UQM,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6UQ9,,,,,,,
,,,LMR:A:601,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:B:601,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,SF4:A:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:602,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,6UP9,,,,,,,
,,,MLA:A:602,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:603,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:601,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:602,valid,,,,,C(C(=O)O)C(=O)O,
,,,SF4:A:604,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:604,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,6UOI,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,MLA:A:602,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,MLA:B:603,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,MLA:A:603,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,MLA:B:601,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,MLA:A:601,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,MLA:B:602,valid,ic50,=,5.6,mM,C(C(=O)O)C(=O)O,
,,,F3S:B:604,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:A:605,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,FE:B:605,invalid,,,,,[Fe+3],
,,,FE:A:606,invalid,,,,,[Fe+3],
,,6UQL,,,,,,,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,6UPM,,,,,,,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,LMR:B:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:602,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3GTD,,,,,,,
,,,MLI:A:462,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:462,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NA:A:463,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6MSO,,,,,,,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,1PE:B:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:609,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:610,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:605,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:607,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:606,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:611,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:606,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:603,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SF4:A:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:601,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,JYD:A:608,valid,Ki,=,3,uM,C([C@@H](C(=O)O)S)C(=O)O,
,,,JYD:B:604,valid,Ki,=,3,uM,C([C@@H](C(=O)O)S)C(=O)O,
,,,JYD:C:604,valid,Ki,=,3,uM,C([C@@H](C(=O)O)S)C(=O)O,
,,,JYD:D:602,valid,Ki,=,3,uM,C([C@@H](C(=O)O)S)C(=O)O,
3.1.4.53,,,,,,,,,
,Family. Representative Entry is ,5OHJ,,,,,,,
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,ZN:B:699,Part of Protein,,,,,[Zn+2],
,,,ZN:A:699,Part of Protein,,,,,[Zn+2],
,,,9VE:A:801,valid,ic50,=,0.0378,nM,CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F,
,,,9VE:B:801,valid,ic50,=,0.0378,nM,CN(C)C(=O)c1cccc(c1)S(=O)(=O)N2CCC[C@H]2C(=O)O[C@@H](Cc3c(c[n+](cc3Cl)O)Cl)c4ccc(c(c4)OCC5CC5)OC(F)F,
,,5LAQ,,,,,,,
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1006,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1003,invalid,,,,,CC(=O)[O-],
,,,6M5:A:1005,valid,Ki,=,0.63,nM,COc1ccc(cc1OCCCCOc2ccc(cc2)c3[nH]nnn3)C4=NN(C(=O)[C@H]5[C@@H]4CC=CC5)C6CCCCCC6,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4Y2B,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,EPK:A:503,valid,ic50,=,4.4,nM,CCN1C(=O)c2c(c(cs2)c3cccnc3)N=C1NC(C)C,
,,1ZKL,,,,,,,
,,,IBM:A:503,valid,ic50,=,8.1,uM,CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,4PM0,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,32V:A:503,valid,ic50,=,45,nM,CCN1C(=O)c2c(c(cs2)C#C)N=C1NC3CCCC3,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
1.6.99.6,,,,,,,,,
,Family. Representative Entry is ,1F5V,,,,,,,
,,,FMN:A:360,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:361,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
2.6.1.82,,,,,,,,,
,Family. Representative Entry is ,4UOX,,,,,,,
,,,FMT:C:1460,invalid,,,,,C(=O)O,
,,,FMT:C:1459,invalid,,,,,C(=O)O,
,,,FMT:D:1462,invalid,,,,,C(=O)O,
,,,FMT:A:1460,invalid,,,,,C(=O)O,
,,,FMT:A:1461,invalid,,,,,C(=O)O,
,,,FMT:D:1460,invalid,,,,,C(=O)O,
,,,GOL:D:1461,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1460,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1462,invalid,,,,,C(C(CO)O)O,
,,,PLP:C:800,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:800,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP PUT:A:800,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,,,PLP PUT:B:800,valid,,,,,P(=O)(OCc1c(C=NCCCC[NH3+])c(O)c(C)nc1)([O-])[O-],
,,,PEG:C:1461,invalid,,,,,C(COCCO)O,
,,,PUT:C:801,valid,,,,,C(CCN)CN,
,,4UOY,,,,,,,
,,,GOL:C:1460,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1460,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:1461,invalid,,,,,C(=O)O,
,,,PLP:C:800,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:800,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:800,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:800,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
5.4.2.4,,,,,,,,,
,Family. Representative Entry is ,2HHJ,,,,,,,
,,,3PG:A:3200,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:3201,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,DG2:A:2201,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,DG2:B:2200,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,HAI:A:2000,invalid,,,,,C1CCC(CC1)[NH3+],
,,2F90,,,,,,,
,,,ALF 3PG:A:400,valid,,,,,P(=O)(OCC(O[Al-2](F)(F)(F)F)C(=O)[O-])([O-])[O-],
,,,ALF 3PG:B:401,valid,,,,,P(=O)(OCC(O[Al-2](F)(F)(F)F)C(=O)[O-])([O-])[O-],
,,2A9J,,,,,,,
,,,3PG:A:408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,2H4X,,,,,,,
,,,3PG:A:1408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:2408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,2H4Z,,,,,,,
,,,DG2:A:1002,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,DG2:B:1001,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)OP(=O)(O)O,
,,2H52,,,,,,,
,,,3PG:A:1408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:2408,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,HAI:A:2000,invalid,,,,,C1CCC(CC1)[NH3+],
1.8.1.12,,,,,,,,,
,Family. Representative Entry is ,6OEZ,,,,,,,
,,,M9J:A:503,valid,Ki,=,0.073,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7,
,,,M9J:B:503,valid,Ki,=,0.073,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC7CCC7,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4NEV,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,2JR:B:509,valid,Ki,=,12,uM,c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5,
,,,2JR:A:502,valid,Ki,=,12,uM,c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5,
,,,2JR:B:502,valid,Ki,=,12,uM,c1cc2c(cc[nH]2)cc1c3ncc(s3)C4(CCCCC4)N5CCCC5,
,,,EPE:B:508,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,2WPE,,,,,,,
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,CL:A:1491,invalid,,,,,[Cl-],
,,,CL:A:1492,invalid,,,,,[Cl-],
,,,CL:A:1493,invalid,,,,,[Cl-],
,,,CL:B:1490,invalid,,,,,[Cl-],
,,,CL:B:1491,invalid,,,,,[Cl-],
,,,CL:B:1492,invalid,,,,,[Cl-],
,,,CL:B:1493,invalid,,,,,[Cl-],
,,,CL:B:1494,invalid,,,,,[Cl-],
,,,CL:C:1488,invalid,,,,,[Cl-],
,,,CL:C:1489,invalid,,,,,[Cl-],
,,,CL:C:1490,invalid,,,,,[Cl-],
,,,CL:C:1491,invalid,,,,,[Cl-],
,,,CL:C:1492,invalid,,,,,[Cl-],
,,,CL:D:1488,invalid,,,,,[Cl-],
,,,CL:D:1489,invalid,,,,,[Cl-],
,,,CL:D:1490,invalid,,,,,[Cl-],
,,,CL:D:1491,invalid,,,,,[Cl-],
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:1494,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:D:1492,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:1489,Part of Protein,,,,,[Na+],
,,,NA:B:1489,Part of Protein,,,,,[Na+],
,,,NA:C:1487,Part of Protein,,,,,[Na+],
,,,NA:D:1487,Part of Protein,,,,,[Na+],
,,,WPE:A:1000,valid,ic50,=,0.86,uM,CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl,
,,,WPE:B:1000,valid,ic50,=,0.86,uM,CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl,
,,,WPE:C:1000,valid,ic50,=,0.86,uM,CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl,
,,,WPE:D:1000,valid,ic50,=,0.86,uM,CC1=Nc2ccc(cc2[C@@H](N1CCNC(=O)c3ccco3)c4ccccc4)Cl,
,,2WOW,,,,,,,
,,,FAD:A:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:700,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GCG:A:1001,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,,GCG:B:1001,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,,GCG:C:1001,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,,GCG:D:1001,valid,,,,,C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N,
,,,NDP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2WOV,,,,,,,
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1489,Part of Protein,,,,,[Na+],
,,,NA:B:1488,Part of Protein,,,,,[Na+],
,,,NA:B:1489,Part of Protein,,,,,[Na+],
,,,NA:C:1489,Part of Protein,,,,,[Na+],
,,,NA:C:1490,Part of Protein,,,,,[Na+],
,,,NA:D:1489,Part of Protein,,,,,[Na+],
,,,NA:D:1490,Part of Protein,,,,,[Na+],
,,,NDP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6RB5,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JWZ:A:508,valid,ic50,=,3.5,uM,[H]/N=C(/N)N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O,
,,,JWZ:B:507,valid,ic50,=,3.5,uM,[H]/N=C(/N)N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O,
,,,JWZ:B:506,valid,ic50,=,3.5,uM,[H]/N=C(/N)N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O,
,,,JWZ:A:509,valid,ic50,=,3.5,uM,[H]/N=C(/N)N1CCC(CC1)(CN(C)CCCN2CN(C3(C2=O)CCN(CC3)CC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c6ccccc6)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2WPF,,,,,,,
,,,BR:B:1491,invalid,,,,,[Br-],
,,,BR:D:1489,invalid,,,,,[Br-],
,,,BR:D:1490,invalid,,,,,[Br-],
,,,CL:A:1489,invalid,,,,,[Cl-],
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,CL:A:1491,invalid,,,,,[Cl-],
,,,CL:B:1489,invalid,,,,,[Cl-],
,,,CL:B:1490,invalid,,,,,[Cl-],
,,,CL:C:1490,invalid,,,,,[Cl-],
,,,CL:C:1491,invalid,,,,,[Cl-],
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,WPF:A:1000,valid,ic50,=,0.23,uM,Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl,
,,,WPF:B:1000,valid,ic50,=,0.23,uM,Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl,
,,,WPF:C:1000,valid,ic50,=,0.23,uM,Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl,
,,,WPF:D:1000,valid,ic50,=,0.23,uM,Cc1ccc(cc1)[C@H]2c3cc(ccc3N=C(N2CCCN(C)C)C)Cl,
,,2WP6,,,,,,,
,,,CL:A:1489,invalid,,,,,[Cl-],
,,,CL:B:1490,invalid,,,,,[Cl-],
,,,CL:C:1490,invalid,,,,,[Cl-],
,,,CL:C:1491,invalid,,,,,[Cl-],
,,,CL:D:1487,invalid,,,,,[Cl-],
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,WP6:A:1000,valid,ic50,=,0.93,uM,CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl,
,,,WP6:B:1000,valid,ic50,=,0.93,uM,CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl,
,,,WP6:C:1000,valid,ic50,=,0.93,uM,CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl,
,,,WP6:D:1000,valid,ic50,=,0.93,uM,CC1=Nc2ccc(cc2[C@@H](N1Cc3ccccc3)c4ccccc4)Cl,
,,2WOI,,,,,,,
,,,CL:A:1489,invalid,,,,,[Cl-],
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,CL:B:1489,invalid,,,,,[Cl-],
,,,CL:B:1490,invalid,,,,,[Cl-],
,,,CL:C:1487,invalid,,,,,[Cl-],
,,,CL:D:1487,invalid,,,,,[Cl-],
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1491,Part of Protein,,,,,[Na+],
,,,NA:B:1491,Part of Protein,,,,,[Na+],
,,,NA:C:1488,Part of Protein,,,,,[Na+],
,,,NA:D:1488,Part of Protein,,,,,[Na+],
,,,NA:D:1489,Part of Protein,,,,,[Na+],
,,2WPC,,,,,,,
,,,CL:A:1488,invalid,,,,,[Cl-],
,,,CL:A:1489,invalid,,,,,[Cl-],
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,CL:B:2001,invalid,,,,,[Cl-],
,,,CL:B:2002,invalid,,,,,[Cl-],
,,,CL:B:2003,invalid,,,,,[Cl-],
,,,CL:C:1490,invalid,,,,,[Cl-],
,,,CL:C:1491,invalid,,,,,[Cl-],
,,,CL:D:1489,invalid,,,,,[Cl-],
,,,CL:D:1490,invalid,,,,,[Cl-],
,,,CL:D:1491,invalid,,,,,[Cl-],
,,,FAD:A:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:998,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:1491,Part of Protein,,,,,[Na+],
,,,NA:A:1492,Part of Protein,,,,,[Na+],
,,,NA:B:2004,Part of Protein,,,,,[Na+],
,,,NA:B:2005,Part of Protein,,,,,[Na+],
,,,NA:C:1492,Part of Protein,,,,,[Na+],
,,,NA:C:1493,Part of Protein,,,,,[Na+],
,,,NA:D:1492,Part of Protein,,,,,[Na+],
,,,NA:D:1493,Part of Protein,,,,,[Na+],
,,,WP7:A:1000,valid,ic50,=,0.42,uM,CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl,
,,,WP7:B:1000,valid,ic50,=,0.42,uM,CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl,
,,,WP7:C:1000,valid,ic50,=,0.42,uM,CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl,
,,,WP7:D:1000,valid,ic50,=,0.42,uM,CC1=Nc2ccc(cc2[C@@H](N1CCN3CCN(CC3)C(=O)c4ccco4)c5ccccc5)Cl,
,,2WBA,,,,,,,
,,,FAD:A:1491,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1491,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1494,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1495,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1496,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:1496,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PG4:A:1497,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1498,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1497,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6OEY,,,,,,,
,,,M9S:A:504,valid,Ki,=,2.1,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6,
,,,M9S:B:506,valid,Ki,=,2.1,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6,
,,,M9S:B:505,valid,Ki,=,2.1,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6,
,,,M9S:B:507,valid,Ki,=,2.1,uM,c1cc2c(ccn2C[C@@H]3CCCN3)cc1c4ncc(s4)C5(CCCCC5)N6CCCC6,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6OEX,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EPE:B:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,M9Y:A:503,valid,Ki,=,1.5,uM,c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F,
,,,M9Y:B:505,valid,Ki,=,1.5,uM,c1cc2c(ccn2CCC3CCNCC3)cc1c4nc(c(s4)C5(CCCCC5)N6CCCC6)C#CCNCC(F)(F)F,
6.2.1.25,,,,,,,,,
,Family. Representative Entry is ,2V7B,,,,,,,
,,,BEZ:A:1529,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1529,valid,,,,,c1ccc(cc1)C(=O)O,
5.1.3.17,,,,,,,,,
,Family. Representative Entry is ,4PXQ,,,,,,,
,,,SGN IDS SGN IDS SGN UAP:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(OC5C(O)C(NS(=O)(=O)[O-])C(O)OC5COS(=O)(=O)[O-])OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,SGN IDS SGN IDS SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(OC5C(O)C(NS(=O)(=O)[O-])C(O)OC5COS(=O)(=O)[O-])OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,6I01,,,,,,,
,,,GOL:A:726,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:724,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:726,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:724,invalid,,,,,C(C(CO)O)O,
,,,CA:A:728,Part of Protein,,,,,[Ca+2],
,,,CA:B:727,Part of Protein,,,,,[Ca+2],
,,,NAG:A:719,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ACT:A:727,invalid,,,,,CC(=O)[O-],
,,,NAG NAG BMA MAN NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN NAG:D:1,invalid,,,,,,
,,,BDP GNS BDP GNS BDP GNS BDP:F:1,valid,,,,,S(=O)(=O)([O-])NC1C(O)C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(CO)O3)C(C(=O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(NS(=O)(=O)[O-])C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2CO)OC1C(=O)[O-],
,,,BDP GNS BDP GNS BDP GNS BDP:C:1,valid,,,,,S(=O)(=O)([O-])NC1C(O)C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(CO)O3)C(C(=O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(NS(=O)(=O)[O-])C(OC3C(O)C(O)C(O)OC3C(=O)[O-])OC2CO)OC1C(=O)[O-],
,,,NAG NAG BMA MAN MAN:E:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,6I02,,,,,,,
,,,GOL:A:1421,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1426,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1422,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1425,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1423,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1424,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1420,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:721,invalid,,,,,C(C(CO)O)O,
,,,IDR GNS IDR GNS IDR GNS IDR:F:1,valid,,,,,,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CA:B:708,Part of Protein,,,,,[Ca+2],
,,,CA:A:1409,Part of Protein,,,,,[Ca+2],
,,,P6G:A:1428,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG NAG BMA MAN MAN NAG:D:1,invalid,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:G:1,invalid,,,,,,
,,,MES:A:1427,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:1419,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GNS IDR GNS IDR GNS IDR GNS IDR:C:1,valid,,,,,S(=O)(=O)([O-])NC1C(O)C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(O)C(O)C(O)C(C(=O)[O-])O4)C(CO)O3)C(C(=O)[O-])O2)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(NS(=O)(=O)[O-])C(OC3C(O)C(O)C(OC4C(O)C(NS(=O)(=O)[O-])C(O)OC4CO)OC3C(=O)[O-])OC2CO)OC1C(=O)[O-],
4.2.2.13,,,,,,,,,
,Family. Representative Entry is ,4AMW,,,,,,,
,,,GOL:A:1041,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1043,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1039,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1040,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1040,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1042,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1040,invalid,,,,,C(C(CO)O)O,
,,,B9D:C:1039,invalid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,B9D:B:1039,invalid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,B9D:A:1039,invalid,,,,,C([C@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,5DI:D:1041,valid,,,,,C1C(=O)[C@H]([C@@H]([C@@](O1)(CO)F)O)O,
,,4AMX,,,,,,,
,,,GOL:A:1041,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1040,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1039,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1040,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1040,invalid,,,,,C(C(CO)O)O,
,,,AFR:D:1041,valid,,,,,C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O,
,,,5GF:B:1039,invalid,,,,,C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,5GF:C:1039,invalid,,,,,C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
,,,5GF:A:1039,invalid,,,,,C([C@@]1([C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)F)O,
2.7.7.43,,,,,,,,,
,Family. Representative Entry is ,1EYR,,,,,,,
,,,CDP:A:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:2001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6IFD,,,,,,,
,,,CA:B:302,invalid,,,,,[Ca+2],
,,,CDP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,PGE:A:302,invalid,,,,,C(COCCOCCO)O,
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,PG4:C:303,invalid,,,,,C(COCCOCCOCCO)O,
3.1.1.77,,,,,,,,,
,Family. Representative Entry is ,5W7C,,,,,,,
,,,FTT:B:202,invalid,,,,,CCCCCCCCCCC[C@H](CC(=O)O)O,
,,,FTT:C:611,invalid,,,,,CCCCCCCCCCC[C@H](CC(=O)O)O,
,,,FTT:D:611,invalid,,,,,CCCCCCCCCCC[C@H](CC(=O)O)O,
,,,FTT:A:202,invalid,,,,,CCCCCCCCCCC[C@H](CC(=O)O)O,
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,CA:D:603,Part of Protein,,,,,[Ca+2],
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DAO FTT:D:609,valid,,,,,O=C(OC(CC(=O)[O-])CCCCCCCCCCC)CCCCCCCCCCC,
,,,DAO FTT:C:609,valid,,,,,O=C(OC(CC(=O)[O-])CCCCCCCCCCC)CCCCCCCCCCC,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5W78,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,MYR:A:204,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:203,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,DAO:B:608,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,PLM:B:607,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,5W7D,,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PX8:A:610,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCCCCCC,
,,,MYR:A:611,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,5W7E,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FAW:A:606,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,
,,,FAW:B:606,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC,
,Family. Representative Entry is ,5W7B,,,,,,,
,,,NAG NAG FUC:G:1,invalid,,,,,,
,,,NAG NAG FUC:K:1,invalid,,,,,,
,,,SO4:C:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MYR:A:210,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:208,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR:F:1,valid,,,,,,
,,,PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR:J:1,valid,,,,,,
,,,MES:D:610,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:203,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:610,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PGE:C:622,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:616,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:617,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:615,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:205,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:621,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:623,invalid,,,,,C(COCCOCCO)O,
,,,CA:D:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,CA:D:603,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:601,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,PEG:C:619,invalid,,,,,C(COCCO)O,
,,,PEG:D:612,invalid,,,,,C(COCCO)O,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,PEG:D:614,invalid,,,,,C(COCCO)O,
,,,PEG:C:611,invalid,,,,,C(COCCO)O,
,,,PEG:C:616,invalid,,,,,C(COCCO)O,
,,,PEG:D:613,invalid,,,,,C(COCCO)O,
,,,PEG:C:615,invalid,,,,,C(COCCO)O,
,,,PEG:D:611,invalid,,,,,C(COCCO)O,
,,,PEG:C:614,invalid,,,,,C(COCCO)O,
,,,PEG:C:612,invalid,,,,,C(COCCO)O,
,,,PEG:C:613,invalid,,,,,C(COCCO)O,
,,,PEG:C:618,invalid,,,,,C(COCCO)O,
,,,PEG:C:617,invalid,,,,,C(COCCO)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,PEG:C:620,invalid,,,,,C(COCCO)O,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,1PE:D:618,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:D:619,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:625,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:624,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NAG FUC:I:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
3.4.17.1,,,,,,,,,
,Family. Representative Entry is ,7CPA,,,,,,,
,,,FVF:A:309,valid,Ki,=,11,fM,CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)C(=O)O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,3CPA,,,,,,,
,,,GLY TYR:A:501,valid,,,,,O=C([O-])C(NC(=O)CN)Cc1ccc(O)cc1,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,1F57,,,,,,,
,,,DCY:A:308,valid,Ki,=,2.3,uM,C([C@H](C(=O)O)N)S,
,,,ZN:A:310,Part of Protein,,,,,[Zn+2],
,,1CPS,,,,,,,
,,,CPM:A:588,valid,Ki,=,0.22,uM,CS(=N)(=N)C[C@@H](Cc1ccccc1)C(=O)O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,2CTC,,,,,,,
,,,HFA:A:309,valid,Ki,=,0.13,mM,c1ccc(cc1)C[C@@H](C(=O)O)O,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,2RFH,,,,,,,
,,,23N:A:1309,valid,Ki,=,0.15,uM,c1ccc(cc1)C[C@H](C[N+](=O)[O-])C(=O)O,
,,,ZN:A:1308,Part of Protein,,,,,[Zn+2],
,,1HDQ,,,,,,,
,,,INF:A:1308,valid,Ki,=,1.5,uM,c1ccc(cc1)C[C@H](C(=O)O)NC(=O)NO,
,,,ZN:A:1309,Part of Protein,,,,,[Zn+2],
,,1IY7,,,,,,,
,,,CXA:A:500,valid,Ki,=,0.64,uM,c1ccc(cc1)C[C@@H](C(=O)O)NS(=O)(=O)N,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,3FX6,,,,,,,
,,,BPX:A:311,valid,Ki,=,0.16,uM,c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O,
,,,BPX:C:311,valid,Ki,=,0.16,uM,c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O,
,,,BPX:E:311,valid,Ki,=,0.16,uM,c1ccc(cc1)C[C@H](CC(C[N+](=O)[O-])(O)O)C(=O)O,
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,,,ZN:C:309,Part of Protein,,,,,[Zn+2],
,,,ZN:E:309,Part of Protein,,,,,[Zn+2],
,,8CPA,,,,,,,
,,,AGF:A:309,valid,Ki,=,710,pM,C[C@@H](C(=O)NC[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,1HEE,,,,,,,
,,,LHY:A:1309,valid,Ki,=,4.6,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO,
,,,LHY:B:1309,valid,Ki,=,4.6,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO,
,,,LHY:D:1309,valid,Ki,=,4.6,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO,
,,,LHY:E:1309,valid,Ki,=,4.6,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)NO,
,,,ZN:A:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1308,Part of Protein,,,,,[Zn+2],
,,1HDU,,,,,,,
,,,ING:A:1309,valid,Ki,=,19,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
,,,ING:B:1309,valid,Ki,=,19,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
,,,ING:D:1309,valid,Ki,=,19,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
,,,ING:E:1309,valid,Ki,=,19,uM,c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)N,
,,,ZN:A:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:E:1308,Part of Protein,,,,,[Zn+2],
,,6CPA,,,,,,,
,,,ZAF:A:309,valid,Ki,=,3,pM,C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2,
,,,ZN:A:308,Part of Protein,,,,,[Zn+2],
,,1CBX,,,,,,,
,,,BZS:A:500,valid,Ki,=,0.45,uM,c1ccc(cc1)C[C@H](CC(=O)O)C(=O)O,
,,,ZN:A:309,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4CPA,,,,,,,
,,,GLY:A:308,valid,,,,,C(C(=O)O)N,
,,,GLY:B:308,valid,,,,,C(C(=O)O)N,
,,,ZN:I:308,Part of Protein,,,,,[Zn+2],
,,,ZN:J:309,Part of Protein,,,,,[Zn+2],
6.3.3.3,,,,,,,,,
,Family. Representative Entry is ,1DAK,,,,,,,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DPU:A:801,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)OP(=O)(O)O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1A82,,,,,,,
,,,ATP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DNN:A:801,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)N)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,1DAI,,,,,,,
,,,DSD:A:225,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,,1DAH,,,,,,,
,,,ACP:A:226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,DNN:A:225,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)N)N,
,,,MN:A:369,Part of Protein,,,,,[Mn+2],
,,1BS1,,,,,,,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DAA:A:850,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,1DAF,,,,,,,
,,,ADP:A:226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:227,Part of Protein,,,,,[Ca+2],
,,,DSD:A:225,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,,1DAM,,,,,,,
,,,DTB:A:803,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1DAE,,,,,,,
,,,IKT:A:225,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N,
,,1DAD,,,,,,,
,,,ADP:A:225,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1DAG,,,,,,,
,,,ACP:A:226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,DSD:A:225,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,Family. Representative Entry is ,4WOP,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CTP:D:301,valid,Kd,=,17.2,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:301,valid,Kd,=,17.2,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:301,valid,Kd,=,17.2,uM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,6E06,,,,,,,
,,,CTP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,3FPA,,,,,,,
,,,DTB:A:803,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,
,,,DTB:B:803,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,
,,,DTB:C:803,valid,,,,,C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,PO4:A:5254,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:5256,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:5257,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5261,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5262,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5259,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:5260,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3FMI,,,,,,,
,,,KAP:A:430,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,KAP:B:430,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,KAP:C:430,valid,,,,,C[C@@H](C(=O)CCCCCC(=O)O)N,
,,,SO4:A:250,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6E05,,,,,,,
,,,CTP:A:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:302,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6CZD,,,,,,,
,,,ADP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,3FMF,,,,,,,
,,,DSD:A:250,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,,,DSD:B:250,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,,,DSD:C:250,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,,,DSD:D:250,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N,
,Family. Representative Entry is ,3QXC,,,,,,,
,,,ATP:A:221,valid,Kd,=,1.7,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:224,invalid,,,,,C(CO)O,
,,,EDO:A:225,invalid,,,,,C(CO)O,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:228,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,EDO:A:231,invalid,,,,,C(CO)O,
,,,EDO:A:232,invalid,,,,,C(CO)O,
,,,EDO:A:234,invalid,,,,,C(CO)O,
,,,EDO:A:235,invalid,,,,,C(CO)O,
,,,EDO:A:237,invalid,,,,,C(CO)O,
,,,GOL:A:233,invalid,,,,,C(C(CO)O)O,
,,,MG:A:222,Part of Protein,,,,,[Mg+2],
,,,NO3:A:223,invalid,,,,,[N+](=O)([O-])[O-],
,,,PEG:A:236,invalid,,,,,C(COCCO)O,
,,3QXJ,,,,,,,
,,,EDO:A:222,invalid,,,,,C(CO)O,
,,,EDO:A:223,invalid,,,,,C(CO)O,
,,,EDO:A:225,invalid,,,,,C(CO)O,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,EDO:A:231,invalid,,,,,C(CO)O,
,,,EDO:A:232,invalid,,,,,C(CO)O,
,,,GTP:A:221,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:224,Part of Protein,,,,,[Mg+2],
,,,NO3:A:228,invalid,,,,,[N+](=O)([O-])[O-],
,,3QXS,,,,,,,
,,,ANP:A:222,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:221,invalid,,,,,C(CO)O,
,,,EDO:A:224,invalid,,,,,C(CO)O,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:228,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,EDO:A:231,invalid,,,,,C(CO)O,
,,,EDO:A:232,invalid,,,,,C(CO)O,
,,,EDO:A:233,invalid,,,,,C(CO)O,
,,,EDO:A:234,invalid,,,,,C(CO)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,,NO3:A:225,invalid,,,,,[N+](=O)([O-])[O-],
,,3QXX,,,,,,,
,,,8AC:A:221,valid,,,,,C(CCCC(=O)O)CCCN,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:228,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,EDO:A:231,invalid,,,,,C(CO)O,
,,,GDP:A:222,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:232,invalid,,,,,C(C(CO)O)O,
,,,MG:A:224,Part of Protein,,,,,[Mg+2],
,,,MG  PO4:A:223,invalid,,,,,,
,,3QY0,,,,,,,
,,,EDO:A:225,invalid,,,,,C(CO)O,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:228,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,EDO:A:231,invalid,,,,,C(CO)O,
,,,EDO:A:232,invalid,,,,,C(CO)O,
,,,EDO:A:233,invalid,,,,,C(CO)O,
,,,EDO:A:234,invalid,,,,,C(CO)O,
,,,EDO:A:235,invalid,,,,,C(CO)O,
,,,EDO:A:236,invalid,,,,,C(CO)O,
,,,EDO:A:237,invalid,,,,,C(CO)O,
,,,EDO:A:238,invalid,,,,,C(CO)O,
,,,EDO:A:239,invalid,,,,,C(CO)O,
,,,EDO:A:240,invalid,,,,,C(CO)O,
,,,GDP MG:A:221,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)CO1)[O-].[Mg+2],
,,,MG:A:224,Part of Protein,,,,,[Mg+2],
,,,PO4:A:222,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3QXH,,,,,,,
,,,8AC:A:221,valid,,,,,C(CCCC(=O)O)CCCN,
,,,ADP:A:222,valid,Kd,=,5.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:226,invalid,,,,,C(CO)O,
,,,EDO:A:227,invalid,,,,,C(CO)O,
,,,EDO:A:228,invalid,,,,,C(CO)O,
,,,EDO:A:229,invalid,,,,,C(CO)O,
,,,EDO:A:230,invalid,,,,,C(CO)O,
,,,MG:A:223,Part of Protein,,,,,[Mg+2],
,,,MG  PO4:A:224,invalid,,,,,,
2.1.2.9,,,,,,,,,
,Family. Representative Entry is ,4XCZ,,,,,,,
,,,T3Q:A:402,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:A:403,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,CL:A:410,invalid,,,,,[Cl-],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:408,Part of Protein,,,,,[Na+],
,,,NA:A:409,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,FON:A:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,K:A:407,invalid,,,,,[K+],
,,4XD1,,,,,,,
,,,T3Q:A:402,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,CL:A:413,invalid,,,,,[Cl-],
,,,CL:A:415,invalid,,,,,[Cl-],
,,,CL:A:414,invalid,,,,,[Cl-],
,,,FON:A:401,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,K:A:406,invalid,,,,,[K+],
,,4XD0,,,,,,,
,,,FON:A:402,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,K:A:404,Part of Protein,,,,,[K+],
,,,NA:A:406,Part of Protein,,,,,[Na+],
,,,NA:A:407,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,T3F:A:401,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:A:403,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
2.4.1.129,,,,,,,,,
,Family. Representative Entry is ,5HLD,,,,,,,
,,,M0E:A:902,valid,ic50,=,64.3,nM,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,63V:A:901,invalid,,,,,C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2,
,,5HLB,,,,,,,
,,,AZR:A:902,invalid,,,,,C[C@@H]([C@@H](C=O)NC(=O)/C(=NOC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O,
,,,M0E:A:901,valid,ic50,=,64.3,nM,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,3VMA,,,,,,,
,,,M0E:A:901,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,5HLA,,,,,,,
,,,M0E:A:902,valid,ic50,=,64.3,nM,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
,,,63U:A:901,invalid,,,,,CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O,
,Family. Representative Entry is ,6YN0,,,,,,,
,,,M0E:A:901,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3O[P@@](=O)(O)OC[C@H](C(=O)O)OCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)C(=O)N)(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(C=CC6=O)O)O)O)O,
2.3.1.137,,,,,,,,,
,Family. Representative Entry is ,1XL8,,,,,,,
,,,152:A:613,valid,,,,,C[N+](C)(C)C[C@@H](CC(=O)O)O,
,,,MPD:B:614,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:615,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:616,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:617,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:618,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,OCB:B:613,valid,,,,,CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C,
3.2.1.15,,,,,,,,,
,Family. Representative Entry is ,1KCC,,,,,,,
,,,CL:A:2003,invalid,,,,,[Cl-],
,,,GTR:A:1001,valid,,,,,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,NA:A:2004,Part of Protein,,,,,[Na+],
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1KCD,,,,,,,
,,,CL:A:2003,invalid,,,,,[Cl-],
,,,GTK:A:1001,valid,,,,,[C@H]1([C@H]([C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O,
,,,GTR:A:1002,valid,,,,,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,NAG:A:2001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:2002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
1.6.1.4,,,,,,,,,
,Family. Representative Entry is ,5JCA,,,,,,,
,,,GOL:L:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:L:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MG:S:303,Part of Protein,,,,,[Mg+2],
,,,NDP:L:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FAD:S:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:L:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:S:302,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,5JFC,,,,,,,
,,,MG:S:502,Part of Protein,,,,,[Mg+2],
,,,SF4:L:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:L:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:L:503,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:S:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:S:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
2.7.1.172,,,,,,,,,
,Family. Representative Entry is ,6OID,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:310,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:309,invalid,,,,,CS(=O)C,
,,,DMS:A:316,invalid,,,,,CS(=O)C,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
1.1.1.203,,,,,,,,,
,Family. Representative Entry is ,3RFV,,,,,,,
,,,15L:A:401,valid,,,,,[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,15L:B:401,valid,,,,,[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,15L:C:401,valid,,,,,[C@@H]1([C@H]([C@H](OC(=O)[C@@H]1O)C(=O)O)O)O,
,,,NAI:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,PO4:A:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:270,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:271,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3RFX,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:269,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:270,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:268,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:269,invalid,,,,,[O-]P(=O)([O-])[O-],
5.1.3.9,,,,,,,,,
,Family. Representative Entry is ,4UTU,,,,,,,
,,,LRY:B:301,valid,,,,,CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,LRY:A:301,valid,,,,,CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:B:1221,invalid,,,,,[Cl-],
,,,CL:A:1221,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4UTW,,,,,,,
,,,RFW:D:1222,valid,,,,,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O,
,,,RFW:B:1222,valid,,,,,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O,
,,,RFW:C:1222,valid,,,,,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O,
,,,RFW:A:1222,valid,,,,,CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O,
,,,CL:C:1221,invalid,,,,,[Cl-],
,,,CL:D:1221,invalid,,,,,[Cl-],
,,,CL:B:1221,invalid,,,,,[Cl-],
,,,CL:A:1221,invalid,,,,,[Cl-],
2.4.1.319,,,,,,,,,
,Family. Representative Entry is ,5AYE,,,,,,,
,,,BMA BMA:J:1,valid,,,,,,
,,,BMA BMA:H:1,valid,,,,,,
,,,BMA BMA:K:1,valid,,,,,,
,,,BMA BMA:I:1,valid,,,,,,
,,,BMA BMA:L:1,valid,,,,,,
,,,BMA BMA:G:1,valid,,,,,,
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
1.13.11.48,,,,,,,,,
,Family. Representative Entry is ,4CFS,,,,,,,
,,,TAR:A:1278,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:1280,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:1279,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:1279,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:1278,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:1280,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:1278,invalid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,K:C:1276,Part of Protein,,,,,[K+],
,,,K:D:1276,Part of Protein,,,,,[K+],
,,,K:B:1276,Part of Protein,,,,,[K+],
,,,K:A:1276,Part of Protein,,,,,[K+],
,,,HQD:D:1277,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:A:1277,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:B:1277,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:C:1277,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,2WJ6,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1281,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1279,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1280,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1276,invalid,,,,,C(C(CO)O)O,
,,,K:A:1282,Part of Protein,,,,,[K+],
,,,K:A:1283,Part of Protein,,,,,[K+],
,,,K:B:1281,Part of Protein,,,,,[K+],
,,,K:C:1279,Part of Protein,,,,,[K+],
,,,K:D:1277,Part of Protein,,,,,[K+],
,,,SRT:A:1285,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:1286,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:1283,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:1281,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:1279,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZZ8:A:1284,valid,,,,,CC(=O)Nc1ccccc1C(=O)O,
,,,ZZ8:B:1282,valid,,,,,CC(=O)Nc1ccccc1C(=O)O,
,,,ZZ8:C:1280,valid,,,,,CC(=O)Nc1ccccc1C(=O)O,
,,,ZZ8:D:1278,valid,,,,,CC(=O)Nc1ccccc1C(=O)O,
,,2WJ4,,,,,,,
,,,GOL:A:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1278,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1276,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1275,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1276,invalid,,,,,C(C(CO)O)O,
,,,HQD:A:1281,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:B:1278,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:C:1277,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,HQD:D:1278,valid,,,,,CC1=C(C(=O)c2ccccc2N1)O,
,,,K:A:1279,Part of Protein,,,,,[K+],
,,,K:A:1280,Part of Protein,,,,,[K+],
,,,K:B:1277,Part of Protein,,,,,[K+],
,,,K:C:1276,Part of Protein,,,,,[K+],
,,,K:D:1277,Part of Protein,,,,,[K+],
,,,SRT:A:1282,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:1283,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:A:1284,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:1279,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:B:1280,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:C:1278,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,SRT:D:1279,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
6.1.1.18,,,,,,,,,
,Family. Representative Entry is ,5ZDK,,,,,,,
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:A:605,invalid,,,,,[Mg+2],
,,,CL:A:607,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CS:A:602,invalid,,,,,[Cs+],
,,,CS:A:603,invalid,,,,,[Cs+],
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
1.1.1.28,,,,,,,,,
,Family. Representative Entry is ,3KB6,,,,,,,
,,,1PE:A:335,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:444,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:700,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:407,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:804,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:C:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:711,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:770,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:777,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:650,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:777,invalid,,,,,C(C(CO)O)O,
,,,LAC:A:399,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:B:399,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:C:399,valid,,,,,C[C@H](C(=O)O)O,
,,,LAC:D:399,valid,,,,,C[C@H](C(=O)O)O,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:454,invalid,,,,,C(COCCO)O,
,,,PEG:A:555,invalid,,,,,C(COCCO)O,
,,,PEG:A:701,invalid,,,,,C(COCCO)O,
,,,PEG:A:772,invalid,,,,,C(COCCO)O,
,,,PEG:A:802,invalid,,,,,C(COCCO)O,
,,,PEG:A:803,invalid,,,,,C(COCCO)O,
,,,PEG:C:702,invalid,,,,,C(COCCO)O,
,,,PEG:C:771,invalid,,,,,C(COCCO)O,
,,,PEG:D:405,invalid,,,,,C(COCCO)O,
,,,PPI:A:398,invalid,,,,,CCC(=O)O,
,,,PPI:A:453,invalid,,,,,CCC(=O)O,
,,,PPI:B:398,invalid,,,,,CCC(=O)O,
,,,PPI:C:398,invalid,,,,,CCC(=O)O,
,,,PPI:D:398,invalid,,,,,CCC(=O)O,
,Family. Representative Entry is ,1J49,,,,,,,
,,,NAD:A:350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:360,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:B:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5Z21,,,,,,,
,,,OXM:A:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1F0X,,,,,,,
,,,FAD:A:600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1600,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5Z20,,,,,,,
,,,NAI:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,OXM:F:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:C:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:402,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:403,valid,,,,,C(=O)(C(=O)O)N,
,,,PG4:E:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:F:403,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:403,invalid,,,,,C(COCCOCCO)O,
,,,FMT:A:401,invalid,,,,,C(=O)O,
,,,FMT:D:401,invalid,,,,,C(=O)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
2.3.1.129,,,,,,,,,
,Family. Representative Entry is ,3I3X,,,,,,,
,,,U22:A:901,valid,,,,,CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,U22:B:901,valid,,,,,CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,U22:C:901,valid,,,,,CCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,3I3A,,,,,,,
,,,S2N:A:260,valid,,,,,CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O,
,,,S2N:B:260,valid,,,,,CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O,
,,,S2N:C:260,valid,,,,,CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O,
,Family. Representative Entry is ,6P9P,,,,,,,
,,,O5J:A:406,valid,Kd,=,0.1,uM,COc1ccc(cc1)C(=O)CN2C(=O)C(NC2=O)(c3ccccc3)c4ccccc4,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2QIV,,,,,,,
,,,U21:X:901,valid,,,,,CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,6P9R,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,U20:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O5M:A:307,valid,ic50,=,3,uM,Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4F,
,,6P9S,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,U20:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O5G:A:307,valid,ic50,=,11,uM,Cc1ccnc(c1)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4ccccc4OC,
,,4J09,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,THR ASN LEU TYR MET LEU:B:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CC(=O)N)CC(C)C)Cc1ccc(O)cc1)C(=O)NC(C=O)CC(C)C)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,6P9T,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,U20:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O5D:A:307,valid,ic50,=,0.6,uM,Cc1cc(ncc1N)c2cc([nH]n2)C(=O)N3CCOC[C@H]3Cc4c(cccc4Cl)OC,
,,2QIA,,,,,,,
,,,U20:A:901,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,6P9Q,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,U20:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,O5P:A:307,valid,Kd,=,110,uM,Cc1ccnc(c1)c2cc(n[nH]2)C(=O)N3CCOC[C@H]3Cc4ccccc4,
,Family. Representative Entry is ,4R37,,,,,,,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:1006,invalid,,,,,[Ca+2],
,,,CA:A:1005,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,invalid,,,,,[Ca+2],
,,,PE5:A:1002,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,UD1:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,PG0:A:1003,invalid,,,,,COCCOCCO,
,Family. Representative Entry is ,1J2Z,,,,,,,
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SOG:A:409,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,TLA:A:410,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6UEG,,,,,,,
,,,Q5G:A:301,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,Q5G:C:301,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,Q5G:D:301,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,Q5G:E:301,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,Q5G:F:301,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,Q5G:A:302,valid,Kd,=,19.5,uM,c1ccc2c(c1)N(C[C@@H](O2)C(=O)N)C(=O)CSCCC(=O)O,
,,,CA:B:301,invalid,,,,,[Ca+2],
,,6UEE,,,,,,,
,,,Q5M:E:303,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:C:301,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:E:302,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:E:301,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:D:301,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:A:302,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:A:301,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,Q5M:A:304,valid,,,,,c1ccc2c(c1)cccc2C(=O)CCC(=O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,5DG3,,,,,,,
,,,U21:D:301,valid,,,,,CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,U21:E:301,valid,,,,,CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,U21:B:301,valid,,,,,CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,U21:C:301,valid,,,,,CCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O,
,,,PO4:E:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5DEP,,,,,,,
,,,UD1:F:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:D:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:E:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:F:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:303,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,PO4:D:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
2.1.1.127,,,,,,,,,
,Family. Representative Entry is ,2H21,,,,,,,
,,,SAM:A:801,valid,Kd,=,0.29,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:802,valid,Kd,=,0.29,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:803,valid,Kd,=,0.29,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,2H23,,,,,,,
,,,M3L:A:501,valid,,,,,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,
,,,M3L:B:502,valid,,,,,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,
,,,M3L:C:500,valid,,,,,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,
,,,SAH:A:800,valid,Kd,=,21.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:801,valid,Kd,=,21.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:802,valid,Kd,=,21.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2H2J,,,,,,,
,,,MLZ:A:900,valid,,,,,CNCCCC[C@@H](C(=O)O)N,
,,,MLZ:B:901,valid,,,,,CNCCCC[C@@H](C(=O)O)N,
,,,MLZ:C:902,valid,,,,,CNCCCC[C@@H](C(=O)O)N,
,,,SFG:A:800,valid,Kd,=,4.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:801,valid,Kd,=,4.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:802,valid,Kd,=,4.2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
3.1.2.23,,,,,,,,,
,Family. Representative Entry is ,3R35,,,,,,,
,,,4CO:A:170,valid,Kd,=,2.2,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:170,valid,Kd,=,2.2,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R34,,,,,,,
,,,COA:A:170,valid,Ki,=,32,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:170,valid,Ki,=,32,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:2000,invalid,,,,,C(CO)O,
,,3R3A,,,,,,,
,,,COA:A:152,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:170,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PHB:A:171,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:171,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1Q4U,,,,,,,
,,,4CA:A:370,valid,Ki,=,0.6,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O,
,,,4CA:A:371,valid,Ki,=,0.6,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O,
,,,EDO:A:372,invalid,,,,,C(CO)O,
,,3TEA,,,,,,,
,,,4CO:A:152,valid,Kd,=,9,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:A:200,valid,Kd,=,9,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R3D,,,,,,,
,,,4CO:A:152,valid,Kd,=,13,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:152,valid,Kd,=,13,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R36,,,,,,,
,,,PHB:A:152,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:152,valid,,,,,c1cc(ccc1C(=O)O)O,
,,3R37,,,,,,,
,,,4CO:A:152,valid,Kd,=,27,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:152,valid,Kd,=,27,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R3C,,,,,,,
,,,4CO:A:152,valid,Kd,=,220,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:152,valid,Kd,=,220,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R32,,,,,,,
,,,4CO:A:152,valid,Kd,=,6,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:A:170,valid,Kd,=,6,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,3R3F,,,,,,,
,,,4CO:A:152,valid,Kd,=,37,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:152,valid,Kd,=,37,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,1Q4T,,,,,,,
,,,4CO:A:370,valid,Ki,=,0.003,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:371,valid,Ki,=,0.003,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,CL:A:152,invalid,,,,,[Cl-],
,,,CL:A:153,invalid,,,,,[Cl-],
,,,CL:B:152,invalid,,,,,[Cl-],
,,,CL:B:153,invalid,,,,,[Cl-],
,,,EDO:A:371,invalid,,,,,C(CO)O,
,,,EDO:B:372,invalid,,,,,C(CO)O,
,,,EDO:B:373,invalid,,,,,C(CO)O,
,,1Q4S,,,,,,,
,,,COA:A:270,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:271,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PHB:A:272,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:273,valid,,,,,c1cc(ccc1C(=O)O)O,
,,3R3B,,,,,,,
,,,4CO:A:170,valid,Kd,=,37,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,4CO:B:170,valid,Kd,=,37,nM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,Family. Representative Entry is ,1LO8,,,,,,,
,,,4CA:A:170,valid,Ki,=,0.26,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O,
,,1LO7,,,,,,,
,,,4CO:A:170,valid,Kd,=,0.33,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4)O)O,
,,,EDO:A:400,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
1.8.99.-,,,,,,,,,
,Family. Representative Entry is ,1EU1,,,,,,,
,,,6MO:A:3000,Part of Protein,,,,,[Mo+6],
,,,CD:A:2006,invalid,,,,,[Cd+2],
,,,EPE:A:2001,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC:A:2002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:2003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:2004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,MGD:A:1001,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:1002,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,O:A:3001,invalid,,,,,O,
,,,O:A:3002,invalid,,,,,O,
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
2.1.1.10,,,,,,,,,
,Family. Representative Entry is ,5DMM,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,BME:A:504,invalid,,,,,C(CS)O,
,,,HCS:A:505,valid,,,,,C(CS)[C@@H](C(=O)O)N,
3.1.4.46,,,,,,,,,
,Family. Representative Entry is ,2ZO9,,,,,,,
,,,FE2:B:275,Part of Protein,,,,,[Fe+2],
,,,FE2:B:276,Part of Protein,,,,,[Fe+2],
,,,FE2:C:275,Part of Protein,,,,,[Fe+2],
,,,FE2:C:276,Part of Protein,,,,,[Fe+2],
,,,MLI:B:277,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:277,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,2ZOA,,,,,,,
,,,FE2:A:275,Part of Protein,,,,,[Fe+2],
,,,FE2:A:276,Part of Protein,,,,,[Fe+2],
,,,FE2:B:275,Part of Protein,,,,,[Fe+2],
,,,FE2:B:276,Part of Protein,,,,,[Fe+2],
,,,MLI:A:277,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:277,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5T9C,,,,,,,
,,,G3P:E:302,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,CA:E:301,Part of Protein,,,,,[Ca+2],
,,,NA:E:304,Part of Protein,,,,,[Na+],
,,,PO4:E:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5T9B,,,,,,,
,,,NA:G:303,Part of Protein,,,,,[Na+],
,,,CA:G:301,Part of Protein,,,,,[Ca+2],
,,,G3P:G:302,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5IJJ,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,I6P:A:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,I6P:B:500,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,I6P:B:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
1.8.3.1,,,,,,,,,
,Family. Representative Entry is ,5WA0,,,,,,,
,,,MSS:D:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:A:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:C:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:B:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,4PW3,,,,,,,
,,,MSS:A:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:B:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:D:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,MSS:C:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1SOX,,,,,,,
,,,EPE:B:911,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MO:A:505,Part of Protein,,,,,[Mo],
,,,MO:B:505,Part of Protein,,,,,[Mo],
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HBP,,,,,,,
,,,MOM:A:502,invalid,,,,,O[Mo](=O)=O,
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SO3:A:1257,invalid,,,,,[O-]S(=O)[O-],
,,3R18,,,,,,,
,,,MO:A:1501,Part of Protein,,,,,[Mo],
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3HBG,,,,,,,
,,,MOM:A:502,invalid,,,,,O[Mo](=O)=O,
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,3R19,,,,,,,
,,,MO:A:1501,Part of Protein,,,,,[Mo],
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,Family. Representative Entry is ,4PW9,,,,,,,
,,,MSS:A:401,valid,,,,,C([C@@H]1C2=C([C@H]3[C@@H](O1)NC4=C(N3)C(=O)NC(=N4)N)S[Mo](=O)S2)OP(=O)(O)O,
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,Family. Representative Entry is ,2A9D,,,,,,,
,,,MO:A:2501,Part of Protein,,,,,[Mo],
,,,MO:B:5501,Part of Protein,,,,,[Mo],
,,,MTE:A:1501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SO4:A:7503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2A99,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,MO:A:1501,Part of Protein,,,,,[Mo],
,,,MTE:A:501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,2A9A,,,,,,,
,,,MO:A:2501,Part of Protein,,,,,[Mo],
,,,MO:B:5501,Part of Protein,,,,,[Mo],
,,,MTE:A:1501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,MTE:B:4501,valid,,,,,C([C@@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O)O,
,,,SO4:A:7503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8504,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.11.17,,,,,,,,,
,Family. Representative Entry is ,3IGO,,,,,,,
,,,ANP:A:610,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:541,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:539,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:540,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:542,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:544,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:546,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:545,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SRT:A:543,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3NCG,,,,,,,
,,,BK1:A:561,valid,,,,,CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N,
,,,CA:A:551,Part of Protein,,,,,[Ca+2],
,,,CA:A:552,Part of Protein,,,,,[Ca+2],
,,,CA:A:553,Part of Protein,,,,,[Ca+2],
,,3MWU,,,,,,,
,,,BK3:A:561,valid,,,,,c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N,
,,,CA:A:551,Part of Protein,,,,,[Ca+2],
,,,CA:A:552,Part of Protein,,,,,[Ca+2],
,,,CA:A:553,Part of Protein,,,,,[Ca+2],
,,,CA:A:554,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2ZV2,,,,,,,
,,,609:A:501,valid,,,,,c1ccc2c(c1)nc-3n2C(=O)c4cccc5c4c3ccc5C(=O)O,
,Family. Representative Entry is ,4ONA,,,,,,,
,,,UW1:A:601,valid,ic50,=,0.002,uM,CCOc1ccc2cc(cnc2c1)c3c(c(n(n3)C(C)(C)C)N)C(=O)N,
,,4JBV,,,,,,,
,,,V68:A:601,valid,ic50,=,0.003,uM,CC(C)COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN(CC5)C)N,
,,3NYV,,,,,,,
,,,DTQ:A:701,valid,,,,,COc1cc2c(cc1OC)ncnc2Nc3cccc(c3)O,
,,3T3U,,,,,,,
,,,BK6:A:701,valid,Ki,=,0.0025,uM,COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCNCC5)N,
,,,DMS:A:711,invalid,,,,,CS(=O)C,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,3KU2,,,,,,,
,,,ANP:A:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,UNX:A:509,invalid,,,,,*,
,,,UNX:A:510,invalid,,,,,*,
,,,UNX:A:511,invalid,,,,,*,
,,4M84,,,,,,,
,,,21E:A:601,valid,ic50,=,0.049,uM,CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3n2)C(=O)N)N,
,,3HX4,,,,,,,
,,,ANP:A:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3UPX,,,,,,,
,,,B6A:A:1,valid,Ki,=,0.0075,uM,c1ccc(cc1)C(=O)c2ccc3c(c2)n(c(n3)N)CC4CCNCC4,
,,3SXF,,,,,,,
,,,BK5:A:701,valid,Ki,=,0.0025,uM,CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C)N,
,,,DMS:A:711,invalid,,,,,CS(=O)C,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,3T3V,,,,,,,
,,,BK4:A:701,valid,Ki,=,0.003,uM,CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,3I7B,,,,,,,
,,,BK1:A:701,valid,ic50,=,0.066,uM,CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N,
,,,DMS:A:705,invalid,,,,,CS(=O)C,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,3V5P,,,,,,,
,,,C88:A:1,valid,Ki,=,0.0011,uM,Cc1cc(ccc1OC)c2c3c(ncnc3n(n2)CC4CCNCC4)N,
,,3V51,,,,,,,
,,,I76:A:701,valid,,,,,CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OCc5cccc(c5)Cl)c(ncn2)N,
,,3UPZ,,,,,,,
,,,B5A:A:1,valid,,,,,c1c2c(ncnc2n(n1)CC3CCNCC3)N,
,,3I7C,,,,,,,
,,,BK2:A:701,valid,ic50,=,0.018,uM,CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N,
,,3V5T,,,,,,,
,,,UW9:A:700,valid,,,,,CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C[C@H](C(C)C)N(C)C)N,
,,3N51,,,,,,,
,,,BK3:A:701,valid,,,,,c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNCC5)N,
,,,DMS:A:705,invalid,,,,,CS(=O)C,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2VZ6,,,,,,,
,,,FEF:A:600,valid,,,,,c1ccc2c(c1)/C(=C/3C(=NOCC[C@H](CO)O)c4ccccc4N3)/C(=O)N2,
,,,FEF:B:600,valid,,,,,c1ccc2c(c1)/C(=C/3C(=NOCC[C@H](CO)O)c4ccccc4N3)/C(=O)N2,
,,,PGO:A:1301,invalid,,,,,C[C@@H](CO)O,
,,,PGO:A:1302,invalid,,,,,C[C@@H](CO)O,
,,,PGO:B:1302,invalid,,,,,C[C@@H](CO)O,
,Family. Representative Entry is ,3HZT,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:538,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:539,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:541,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:542,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:543,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:544,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,J60:A:540,valid,,,,,CCN(CC)CCNC(=O)c1c(c([nH]c1C)C=C/2c3cc(ccc3NC2=O)Cl)C,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4FG8,,,,,,,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4FG9,,,,,,,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6CMJ,,,,,,,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:A:503,invalid,,,,,C(=O)O,
,,,FMT:A:502,invalid,,,,,C(=O)O,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,F6J:A:501,valid,ic50,=,5,nM,CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4,
,,,F6J:B:501,valid,ic50,=,5,nM,CC(C)Cc1cc(ccc1C(=O)O)c2c[nH]c3c2cc(cn3)c4ccccc4,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2VN9,,,,,,,
,,,CL:A:1312,invalid,,,,,[Cl-],
,,,EPE:A:1313,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GVD:A:1314,valid,,,,,c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,GVD:B:1310,valid,,,,,c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)CC#N)Nc4cc([nH]n4)C5CC5,
,,,PO4:A:1310,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1312,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2V7O,,,,,,,
,,,DRN:A:1303,valid,,,,,[H]/N=C(/N)SCCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C,
,,,EDO:A:1304,invalid,,,,,C(CO)O,
,,,EDO:A:1305,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2WEL,,,,,,,
,,,CA:D:600,Part of Protein,,,,,[Ca+2],
,,,CA:D:601,Part of Protein,,,,,[Ca+2],
,,,CA:D:602,Part of Protein,,,,,[Ca+2],
,,,CA:D:603,Part of Protein,,,,,[Ca+2],
,,,EDO:A:700,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,K88:A:600,valid,,,,,CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c3cc4c([nH]3)CCCC4)/C(=O)N2,
,,,PO4:A:706,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:707,invalid,,,,,[O-]P(=O)([O-])[O-],
4.-.-.-,,,,,,,,,
,Family. Representative Entry is ,2Q1S,,,,,,,
,,,NAI:A:358,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,2PZJ,,,,,,,
,,,NAD:A:358,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2Q1T,,,,,,,
,,,NAD:A:358,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:400,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2Q1U,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:702,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1SJD,,,,,,,
,,,NPG:A:1200,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,NPG:B:1163,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,NPG:B:1300,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,NPG:C:1164,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,NPG:C:1400,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,NPG:D:1500,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,1SJB,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,MG:C:1201,Part of Protein,,,,,[Mg+2],
,,,MG:D:1301,Part of Protein,,,,,[Mg+2],
,,,OSB:A:1000,valid,,,,,c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O,
,,,OSB:B:1100,valid,,,,,c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O,
,,,OSB:C:1200,valid,,,,,c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O,
,,,OSB:D:1300,valid,,,,,c1ccc(c(c1)C(=O)CCC(=O)O)C(=O)O,
,,1SJC,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1101,Part of Protein,,,,,[Mg+2],
,,,MG:C:1201,Part of Protein,,,,,[Mg+2],
,,,MG:D:1301,Part of Protein,,,,,[Mg+2],
,,,SMG:A:1000,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,SMG:B:1100,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,SMG:C:1200,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,,SMG:D:1300,valid,,,,,CSCC[C@H](C(=O)O)NC(=O)CCC(=O)O,
,,1SJA,,,,,,,
,,,AME:A:600,valid,,,,,CC(=O)N[C@@H](CCSC)C(=O)O,
,,,AME:B:700,valid,,,,,CC(=O)N[C@@H](CCSC)C(=O)O,
,,,AME:C:800,valid,,,,,CC(=O)N[C@@H](CCSC)C(=O)O,
,,,AME:D:900,valid,,,,,CC(=O)N[C@@H](CCSC)C(=O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:C:801,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1SJW,,,,,,,
,,,NGV:A:333,valid,,,,,CC1=C(c2cc3c(c(c2C(=O)C1)O)C(=O)c4c(cccc4O)C3=O)C(=O)OC,
,Family. Representative Entry is ,6RD1,,,,,,,
,,,SI3:B:401,valid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,,,SI3:A:401,valid,,,,,CC(=O)N[C@H]([C@H](CC(=O)C(=O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,2Q37,,,,,,,
,,,3AL:A:200,valid,,,,,[C@H]1(C(=O)NC(=O)N1)NC(=O)N,
,Family. Representative Entry is ,2VBF,,,,,,,
,,,MG:B:1548,Part of Protein,,,,,[Mg+2],
,,,MG:B:1550,Part of Protein,,,,,[Mg+2],
,,,TPP:B:1549,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:B:1551,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,2VBG,,,,,,,
,,,MG:A:1548,Part of Protein,,,,,[Mg+2],
,,,MG:B:1548,Part of Protein,,,,,[Mg+2],
,,,R1T:A:1549,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,,,R1T:B:1549,valid,,,,,Cc1c(sc(c1Cc2cnc(nc2N)C)[C@@H](C)O)CCO[P@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,5VXC,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5VXO,,,,,,,
,,,PEG:A:515,invalid,,,,,C(COCCO)O,
,,,PEG:B:512,invalid,,,,,C(COCCO)O,
,,,PEG:A:513,invalid,,,,,C(COCCO)O,
,,,PEG:C:510,invalid,,,,,C(COCCO)O,
,,,PEG:B:513,invalid,,,,,C(COCCO)O,
,,,PEG:C:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:514,invalid,,,,,C(COCCO)O,
,,,PGE:C:511,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:516,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:514,invalid,,,,,C(COCCOCCO)O,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:C:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,PG4:A:517,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:512,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:518,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4 EDO:A:519,invalid,,,,,,
,,,1VU:B:501,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:A:501,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:C:501,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5UAS,,,,,,,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,K:A:602,invalid,,,,,[K+],
,,,K:B:602,invalid,,,,,[K+],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,83Y BDP 83Y GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,,83Y BDP 83Y GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,Family. Representative Entry is ,2Q1W,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4OJZ,,,,,,,
,,,ZN:B:801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,LGU MAV BEM:D:1,valid,Ka,=,9900,M^-1,O=C([O-])C1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,LGU MAV BEM:C:1,valid,Ka,=,9900,M^-1,O=C([O-])C1C(OC2C(O)C(O)CC(C(=O)[O-])O2)C(O)C(O)C(OC2C(O)C(O)C(O)OC2C(=O)[O-])O1,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:B:805,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1I2L,,,,,,,
,,,DCS:A:301,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2CONC2=O)O,
,Family. Representative Entry is ,1LC8,,,,,,,
,,,33P:A:800,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC[C@@H](C)OP(=O)(O)O)O,
,,1LC7,,,,,,,
,,,PO4:A:800,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TPO:A:990,valid,,,,,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,6WJA,,,,,,,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UD2:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,6WJB,,,,,,,
,,,UD1:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,6WJ9,,,,,,,
,,,UD1:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6RX8,,,,,,,
,,,FUM:A:602,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:A:601,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,NA:A:603,Part of Protein,,,,,[Na+],
,,,NA:A:604,Part of Protein,,,,,[Na+],
,,6G3H,,,,,,,
,,,EKQ:A:601,valid,,,,,C(CN[C@@H](CC(=O)O)C(=O)O)N[C@@H](CC(=O)O)C(=O)O,
,,6G3F,,,,,,,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,PEG:A:603,invalid,,,,,C(COCCO)O,
,,,FUM:A:601,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,6G3I,,,,,,,
,,,FUM:A:602,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,EKN:A:601,valid,,,,,C(CN[C@@H](CC(=O)O)C(=O)O)N,
,Family. Representative Entry is ,1SQL,,,,,,,
,,,GUN:A:1001,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:1002,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:1003,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:D:1004,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:F:1006,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:G:1007,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:G:1008,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:H:1005,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:I:1009,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:J:1010,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:J:1011,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:L:1012,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:M:1014,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:O:1015,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:P:1013,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:P:1016,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,Family. Representative Entry is ,7BP1,,,,,,,
,,,CAQ:D:401,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:C:401,valid,,,,,c1ccc(c(c1)O)O,
,,,CAQ:A:401,valid,,,,,c1ccc(c(c1)O)O,
,,,ZN:C:402,Part of Protein,,,,,[Zn+2],
,,7BPC,,,,,,,
,,,GTQ:C:401,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,,GTQ:A:401,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,,GTQ:C:402,valid,,,,,c1cc(c(cc1O)C(=O)O)O,
,,,ZN:C:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6LON,,,,,,,
,,,LLQ:C:901,valid,Kd,=,6.7,uM,C([C@@H](CS(=O)(=O)O)O)O,
,,,LLQ:D:901,valid,Kd,=,6.7,uM,C([C@@H](CS(=O)(=O)O)O)O,
,,,LLQ:A:901,valid,Kd,=,6.7,uM,C([C@@H](CS(=O)(=O)O)O)O,
,,,LLQ:B:901,valid,Kd,=,6.7,uM,C([C@@H](CS(=O)(=O)O)O)O,
,,,GOL:A:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:912,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:910,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:908,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:914,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:909,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:911,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:913,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,NA:A:916,Part of Protein,,,,,[Na+],
,,,NA:C:912,Part of Protein,,,,,[Na+],
,,,NA:B:916,Part of Protein,,,,,[Na+],
,,,NA:D:912,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6AU6,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,1AZT,,,,,,,
,,,GSP:A:413,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:411,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:406,Part of Protein,,,,,[Mg+2],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,7C8F,,,,,,,
,,,BEM BEM:D:1,valid,,,,,,
,,,BEM BEM:C:1,valid,,,,,,
,,,MLI:A:301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,7C8G,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:301,valid,,,,,C(CC(=O)O)C(=O)O,
,Family. Representative Entry is ,2PP3,,,,,,,
,,,LGT:A:501,valid,,,,,[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,
,,,LGT:B:502,valid,,,,,[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,
,,,LGT:C:503,valid,,,,,[C@@H]([C@H]([C@H](C(=O)O)O)O)([C@@H](C(=O)O)O)O,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:903,Part of Protein,,,,,[Mg+2],
,,2PP1,,,,,,,
,,,LLH:A:801,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,LLH:B:802,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,LLH:C:803,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,LLH:D:804,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,LLH:E:805,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,LLH:F:806,valid,,,,,[C@H]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O,
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:444,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3B8X,,,,,,,
,,,EDO:A:674,invalid,,,,,C(CO)O,
,,,EDO:A:675,invalid,,,,,C(CO)O,
,,,EDO:A:676,invalid,,,,,C(CO)O,
,,,G4M:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,,G4M:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N=C(NC5=O)N)O)O)C)O,
,,,NA:A:669,Part of Protein,,,,,[Na+],
,,,NA:A:671,Part of Protein,,,,,[Na+],
,,,NA:A:672,Part of Protein,,,,,[Na+],
,,,NA:A:673,Part of Protein,,,,,[Na+],
,,,NA:B:666,Part of Protein,,,,,[Na+],
,,,NA:B:667,Part of Protein,,,,,[Na+],
,,,NA:B:668,Part of Protein,,,,,[Na+],
,,,NA:B:670,Part of Protein,,,,,[Na+],
,,3GR9,,,,,,,
,,,AKG:A:401,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:403,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:404,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:405,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:H:406,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,2GMU,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,PDG:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,2GMS,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,P0P:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O,
,,,P0P:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C(O)O)O,
,Family. Representative Entry is ,6A40,,,,,,,
,,,LGU LGU LGU LGU:B:1,valid,,,,,,
,,5Z9T,,,,,,,
,,,LGU LGU LGU:C:1,valid,,,,,,
,,,LGU LGU LGU:D:1,valid,,,,,,
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,MLI:B:602,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:602,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2D0O,,,,,,,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,MG:C:1006,Part of Protein,,,,,[Mg+2],
,,,MG:C:1004,invalid,,,,,[Mg+2],
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5OLR,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:C:602,Part of Protein,,,,,[Ca+2],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RAM ADA RAM:D:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(OC2C(O)C(O)C(C)OC2O)O1,
,,,RAM ADA RAM:E:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(OC2C(O)C(O)C(C)OC2O)O1,
,,,RAM ADA RAM:F:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(OC2C(O)C(O)C(C)OC2O)O1,
,,,PGE:A:607,invalid,,,,,C(COCCOCCO)O,
,,5OLS,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,RAM ADA RAM:B:1,valid,,,,,O=C([O-])C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(OC2C(O)C(O)C(C)OC2O)O1,
,,,GTR RAM AQA:C:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(C)OC2OC2C(O)C(O)C(O)OC2C(=O)[O-])C(O)C(O)C=1,
,Family. Representative Entry is ,1SGJ,,,,,,,
,,,MG:A:286,Part of Protein,,,,,[Mg+2],
,,,MG:B:286,Part of Protein,,,,,[Mg+2],
,,,MG:C:286,Part of Protein,,,,,[Mg+2],
,,,OAA:A:285,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:B:285,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,,,OAA:C:285,valid,,,,,C(C(=O)C(=O)O)C(=O)[O-],
,Family. Representative Entry is ,7BOR,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5EUD,,,,,,,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,5S6:A:603,valid,ic50,=,0.15,uM,Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C,
,,,5S6:A:602,valid,ic50,=,0.15,uM,Cc1cc(c(cc1OC)C)CNC[C@H](c2ccc(cc2)C#CCO)NC(=O)c3cc(on3)C,
,Family. Representative Entry is ,5Y02,,,,,,,
,,,HEZ:B:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:E:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:C:202,invalid,,,,,C(CCCO)CCO,
,,,HEZ:E:202,invalid,,,,,C(CCCO)CCO,
,,,HEZ:I:202,invalid,,,,,C(CCCO)CCO,
,,,HEZ:J:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:G:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:H:201,invalid,,,,,C(CCCO)CCO,
,,,HEZ:L:202,invalid,,,,,C(CCCO)CCO,
,,,HBX:L:201,valid,,,,,c1ccc(cc1)C=O,
,,,HBX:I:201,valid,,,,,c1ccc(cc1)C=O,
,,,MXN:K:201,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:F:201,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:A:201,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,,,MXN:C:201,valid,,,,,c1ccc(cc1)[C@H](C#N)O,
,Family. Representative Entry is ,4MP8,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MLI:A:401,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4M54,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NAI:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,AE5:A:403,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NC[C@@H](C(=O)O)N,
,,4MP6,,,,,,,
,,,NAD:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4MPD,,,,,,,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NAJ:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc[nH+]c5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1Y60,,,,,,,
,,,H4M:B:997,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:B:998,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:C:995,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:D:994,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,,,H4M:E:996,valid,,,,,C[C@H]1[C@@H]2[C@H](N(CN2C3=C(N1)N=C(NC3=O)N)c4ccc(cc4)C[C@@H]([C@@H](C(CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)O)O)C,
,Family. Representative Entry is ,5TFZ,,,,,,,
,,,7BC:B:205,valid,,,,,C=CC(=O)OCCC(=O)O,
,,,7BC:A:202,valid,,,,,C=CC(=O)OCCC(=O)O,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,,NI:A:201,Part of Protein,,,,,[Ni+2],
,,,NI:B:204,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,2PZM,,,,,,,
,,,NAD:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:602,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2PZL,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,2PZK,,,,,,,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5A0U,,,,,,,
,,,CHT:H:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:G:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:F:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:B:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:E:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:A:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:D:2000,valid,,,,,C[N+](C)(C)CCO,
,,,CHT:C:2000,valid,,,,,C[N+](C)(C)CCO,
,Family. Representative Entry is ,1LBF,,,,,,,
,,,137:A:300,valid,Kd,=,0.014,uM,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3UZ5,,,,,,,
,,,0CU:A:291,valid,,,,,c1c(cc(c2c1nn[nH]2)Cl)Cl,
,,,0CU:B:291,valid,,,,,c1c(cc(c2c1nn[nH]2)Cl)Cl,
,,,NA:A:301,invalid,,,,,[Na+],
,,,NA:B:301,invalid,,,,,[Na+],
,,,PO4:A:253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:296,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:292,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3UXD,,,,,,,
,,,0CU:A:291,valid,,,,,c1c(cc(c2c1nn[nH]2)Cl)Cl,
,,,0CU:B:291,valid,,,,,c1c(cc(c2c1nn[nH]2)Cl)Cl,
,,,PO4:A:253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:254,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:256,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:253,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:254,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:256,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3UZJ,,,,,,,
,,,0CT:A:301,valid,,,,,c1ccc2c(c1)[nH]nn2,
,,,0CT:B:301,valid,,,,,c1ccc2c(c1)[nH]nn2,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:300,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1LBL,,,,,,,
,,,137:A:300,valid,Kd,=,0.014,uM,c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,1A53,,,,,,,
,,,IGP:A:300,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5OPJ,,,,,,,
,,,ZN:A:902,Part of Protein,,,,,[Zn+2],
,,,AHR:A:901,valid,,,,,C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,6KNH,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CIT:A:501,valid,ic50,=,280,uM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,ic50,=,280,uM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:501,valid,ic50,=,280,uM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6KNK,,,,,,,
,,,DN9:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNCCNC(=O)C[C@](CC(=O)O)(C(=O)O)O)O,
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,X3J:B:502,valid,,,,,C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N,
,Family. Representative Entry is ,1IZC,,,,,,,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,PYR:A:2001,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,6YP4,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,GCP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3O7J,,,,,,,
,,,2AL:A:451,valid,,,,,C1(=O)C(=NC(=O)N1)NC(=O)N,
,Family. Representative Entry is ,6P78,,,,,,,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,QUG:A:502,valid,,,,,c1c(c2c([nH]1)NC(=NC2=O)N)CN[C@H]3C=C[C@@H]([C@H]3O)O,
,,,SAM:A:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4I6G,,,,,,,
,,,FAD:A:900,valid,Kd,=,40,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:900,valid,Kd,=,40,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6KX8,,,,,,,
,,,DYX:A:601,valid,,,,,COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl,
,,,DYX:B:601,valid,,,,,COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl,
,,4MLP,,,,,,,
,,,2CX:A:900,valid,,,,,CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O,
,,,2CX:C:900,valid,,,,,CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O,
,,,2CX:D:900,valid,,,,,CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O,
,,,2CX:B:900,valid,,,,,CS(=O)(=O)N(Cc1ccco1)C[C@H](Cn2c3ccccc3c4c2cccc4)O,
,Family. Representative Entry is ,6D3U,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,83Y BDP 83Y GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,,83Y BDP 83Y GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,,EDO:B:408,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1TT8,,,,,,,
,,,PHB:A:400,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1FW9,,,,,,,
,,,PHB:A:199,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1JD3,,,,,,,
,,,PHB:A:165,valid,,,,,c1cc(ccc1C(=O)O)O,
,,2AHC,,,,,,,
,,,VNL:A:166,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:B:266,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:C:366,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:D:466,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,1XLR,,,,,,,
,,,VNL:A:181,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,,VNL:A:182,valid,,,,,COc1cc(ccc1O)C(=O)[O-],
,,1G1B,,,,,,,
,,,PHB:A:199,valid,,,,,c1cc(ccc1C(=O)O)O,
,,,PHB:B:1199,valid,,,,,c1cc(ccc1C(=O)O)O,
,,1G81,,,,,,,
,,,PHB:A:199,valid,,,,,c1cc(ccc1C(=O)O)O,
,Family. Representative Entry is ,6UEK,,,,,,,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1C3R,,,,,,,
,,,TSN:A:502,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:B:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,1C3S,,,,,,,
,,,SHH:A:952,valid,,,,,c1ccc(cc1)NC(=O)CCCCCCC(=O)NO,
,,,ZN:A:951,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3N29,,,,,,,
,,,GOL:A:1003,valid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,valid,,,,,C(C(CO)O)O,
,,,NSD:A:1002,valid,,,,,C(CN)CNCCCN,
,,,PLP:A:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,6QCL,,,,,,,
,,,PGE:G:1002,invalid,,,,,C(COCCOCCO)O,
,,,PGE:H:1002,invalid,,,,,C(COCCOCCO)O,
,,,CA:B:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,ACO:H:1001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:E:1001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:G:1001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:F:1001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,LMR:H:1000,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:E:1000,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:G:1000,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:F:1000,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,PG4:F:1002,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:1002,invalid,,,,,C(COCCOCCOCCO)O,
,,6HXO,,,,,,,
,,,FLC:H:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:G:1000,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MES:C:1002,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6NZY,,,,,,,
,,,NA:A:712,Part of Protein,,,,,[Na+],
,,,NA:A:711,Part of Protein,,,,,[Na+],
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,,NA:C:704,Part of Protein,,,,,[Na+],
,,,NA:C:705,Part of Protein,,,,,[Na+],
,,,NA:D:708,Part of Protein,,,,,[Na+],
,,,NA:A:713,Part of Protein,,,,,[Na+],
,,,NA:D:707,Part of Protein,,,,,[Na+],
,,,GOL:D:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACO:A:701,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:701,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6HXN,,,,,,,
,,,COA:A:701,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1002,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3R1Z,,,,,,,
,,,ALA DGL:B:480,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)CCC(=O)[O-],
,,,ALA GLU:A:482,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)C,
,,,GOL:A:960,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:962,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:961,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:963,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:381,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:380,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:381,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:382,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:383,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1XQP,,,,,,,
,,,8HG:A:257,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O,
,,,8HG:A:258,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O,
,Family. Representative Entry is ,2HXT,,,,,,,
,,,EHM:A:501,valid,,,,,C([C@H]([C@H](C(=O)NO)O)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,2HXU,,,,,,,
,,,LFC:A:501,valid,,,,,C[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6RT8,,,,,,,
,,,KJE:A:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:H:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:G:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:E:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:B:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:F:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:D:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,KJE:C:401,valid,,,,,CCC1=C[C@H]2C[C@H](C3=Nc4ccccc4C3CC[N+](=C1)C2)C(=O)OC,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:H:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6KII,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MHF:A:502,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,Family. Representative Entry is ,6BYT,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,83Y BDP 83Y GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,,83Y BDP 83Y GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,6BYX,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:614,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:613,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:608,invalid,,,,,C(C(CO)O)O,
,,,83Y BDP 83Y GCD:D:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,,,83Y BDP 83Y GCD:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(O)C=C(C(=O)[O-])O2)C(C)OC(OC2C(O)C(O)C(OC3C(OS(=O)(=O)[O-])C(O)C(O)OC3C)OC2C(=O)[O-])C1O)[O-],
,Family. Representative Entry is ,6P5U,,,,,,,
,,,COA:F:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,B3P:B:502,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,6HXP,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1NP7,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MZQ,,,,,,,
,,,1VU:D:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:I:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:B:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:K:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:G:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:L:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:A:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:E:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:C:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:F:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:J:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:H:201,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4U63,,,,,,,
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1016,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1017,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FAD:A:1002,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MHF:A:1001,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,Family. Representative Entry is ,6JLS,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2P7Q,,,,,,,
,,,GG6:A:2002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,GG6:B:1002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,GG6:C:4002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,GG6:D:3002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,GG6:E:6002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,GG6:F:5002,valid,,,,,C[C@@H]([C@@H](O)P(=O)(O)O)O,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,MN:C:4001,Part of Protein,,,,,[Mn+2],
,,,MN:D:3001,Part of Protein,,,,,[Mn+2],
,,,MN:E:6001,Part of Protein,,,,,[Mn+2],
,,,MN:F:5001,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5Y4K,,,,,,,
,,,AKR:A:502,valid,,,,,C=CC(=O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2NV2,,,,,,,
,,,CL:A:6001,invalid,,,,,[Cl-],
,,,CL:C:6005,invalid,,,,,[Cl-],
,,,CL:E:6009,invalid,,,,,[Cl-],
,,,CL:G:6013,invalid,,,,,[Cl-],
,,,CL:I:6017,invalid,,,,,[Cl-],
,,,CL:K:6021,invalid,,,,,[Cl-],
,,,CL:M:6025,invalid,,,,,[Cl-],
,,,CL:O:6029,invalid,,,,,[Cl-],
,,,CL:Q:6033,invalid,,,,,[Cl-],
,,,CL:S:6037,invalid,,,,,[Cl-],
,,,CL:U:6041,invalid,,,,,[Cl-],
,,,CL:W:6045,invalid,,,,,[Cl-],
,,,EDO:A:6002,invalid,,,,,C(CO)O,
,,,EDO:A:6030,invalid,,,,,C(CO)O,
,,,EDO:A:6031,invalid,,,,,C(CO)O,
,,,EDO:C:6006,invalid,,,,,C(CO)O,
,,,EDO:C:6026,invalid,,,,,C(CO)O,
,,,EDO:E:6010,invalid,,,,,C(CO)O,
,,,EDO:E:6047,invalid,,,,,C(CO)O,
,,,EDO:G:6043,invalid,,,,,C(CO)O,
,,,EDO:I:6018,invalid,,,,,C(CO)O,
,,,EDO:I:6038,invalid,,,,,C(CO)O,
,,,EDO:I:6039,invalid,,,,,C(CO)O,
,,,EDO:K:6022,invalid,,,,,C(CO)O,
,,,EDO:M:6007,invalid,,,,,C(CO)O,
,,,EDO:Q:6034,invalid,,,,,C(CO)O,
,,,EDO:Q:6035,invalid,,,,,C(CO)O,
,,,EDO:U:6014,invalid,,,,,C(CO)O,
,,,EDO:U:6042,invalid,,,,,C(CO)O,
,,,EDO:W:6046,invalid,,,,,C(CO)O,
,,,GLN:B:6004,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:D:6008,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:F:6012,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:H:6016,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:J:6020,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:L:6024,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:N:6028,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:P:6032,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:R:6036,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:T:6040,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:V:6044,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,GLN:X:6048,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
2.4.1.143,,,,,,,,,
,Family. Representative Entry is ,5VCM,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,DMS:B:506,invalid,,,,,CS(=O)C,
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:B:505,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,DMS:B:507,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:B:503,invalid,,,,,CS(=O)C,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
2.6.1.39,,,,,,,,,
,Family. Representative Entry is ,2ZYJ,,,,,,,
,,,PGU:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,,PGU:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)O)O,
,,3CBF,,,,,,,
,,,N5F:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O,
,,,N5F:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCC(=O)O)C(=O)O)O,
,,2ZP7,,,,,,,
,,,LEU:A:700,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:B:700,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:E:700,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,PLP:A:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:600,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,2Z1Y,,,,,,,
,,,LEU PLP:B:401,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])CC(C)C)c(O)c(C)nc1)([O-])[O-],
,,,PLP:A:1400,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4JE5,,,,,,,
,,,PMP:B:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PLP:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,EPE:A:602,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1002,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:604,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:603,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1001,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
3.4.19.-,,,,,,,,,
,Family. Representative Entry is ,1ONX,,,,,,,
,,,ASP:A:450,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ASP:B:550,valid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1YBQ,,,,,,,
,,,BDH:A:393,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N,
,,,BDH:B:393,valid,,,,,c1c([nH]cn1)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N,
,,,ZN:A:391,Part of Protein,,,,,[Zn+2],
,,,ZN:A:392,Part of Protein,,,,,[Zn+2],
,,,ZN:B:391,Part of Protein,,,,,[Zn+2],
,,,ZN:B:392,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5XGX,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,DAS DLY:A:403,valid,,,,,O=C([O-])C([NH3+])CC(=O)NC(C(=O)[O-])CCCC[NH3+],
,,,DAS DLY:B:403,valid,,,,,O=C([O-])C([NH3+])CC(=O)NC(C(=O)[O-])CCCC[NH3+],
1.14.13.196,,,,,,,,,
,Family. Representative Entry is ,4B63,,,,,,,
,,,FAD:A:1492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1493,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ORN:A:1494,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,SO4:A:1495,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6X0K,,,,,,,
,,,FDA:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:G:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:F:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:H:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:E:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ORN:D:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:G:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:H:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:E:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,4B69,,,,,,,
,,,FAD:A:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,ORN:A:1502,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,SO4:A:1491,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7JVK,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGE:B:602,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:602,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,ACT:D:602,invalid,,,,,CC(=O)[O-],
,,,ACT:C:602,invalid,,,,,CC(=O)[O-],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,4B64,,,,,,,
,,,FAD:A:1504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1514,invalid,,,,,C(C(CO)O)O,
,,,LYS:A:1503,valid,,,,,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,NAP:A:1505,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7JVL,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:C:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:B:604,invalid,,,,,CC(=O)[O-],
,,,ACT:B:603,invalid,,,,,CC(=O)[O-],
,,,ACT:C:603,invalid,,,,,CC(=O)[O-],
,,,ACT:D:604,invalid,,,,,CC(=O)[O-],
,,,ACT:D:603,invalid,,,,,CC(=O)[O-],
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,CA:B:605,Part of Protein,,,,,[Ca+2],
,,,CA:D:605,Part of Protein,,,,,[Ca+2],
,,5CKU,,,,,,,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ORN:A:603,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,6X0I,,,,,,,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CA:D:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,NAP:A:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ACT:C:601,invalid,,,,,CC(=O)[O-],
,,,ACT:D:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,4B65,,,,,,,
,,,FAD:A:1492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:1493,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6X0J,,,,,,,
,,,ORN:D:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:A:602,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,FDA:B:603,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:603,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:603,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:603,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:A:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:601,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4B68,,,,,,,
,,,FAD:A:1492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1495,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1496,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1497,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1498,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1499,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1493,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:1494,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6X0H,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CA:A:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:603,Part of Protein,,,,,[Ca+2],
,,,ACT:D:602,invalid,,,,,CC(=O)[O-],
,,,ACT:B:602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,ACT:C:602,invalid,,,,,CC(=O)[O-],
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
1.1.1.67,,,,,,,,,
,Family. Representative Entry is ,1M2W,,,,,,,
,,,MTL:A:5600,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,MTL:B:6600,valid,,,,,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,
,,,NAD:A:5500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:6500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1LJ8,,,,,,,
,,,NAD:A:1500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.6.1.109,,,,,,,,,
,Family. Representative Entry is ,5K8B,,,,,,,
,,,PDG:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:B:501,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:C:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,PDG:D:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](CCC(=O)O)C(=O)O)O,
,,,CL:D:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,NA:C:502,invalid,,,,,[Na+],
2.7.1.37,,,,,,,,,
,Family. Representative Entry is ,1TH8,,,,,,,
,,,ADP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,1THN,,,,,,,
,,,ADP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DMF:A:201,invalid,,,,,CN(C)C=O,
,Family. Representative Entry is ,1IA9,,,,,,,
,,,ANP:A:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,DTT:B:2000,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,1IAH,,,,,,,
,,,ADP:A:2002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DTT:B:2000,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1W1G,,,,,,,
,,,4PT:A:1550,valid,Ki,=,0.021,uM,CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,1W1D,,,,,,,
,,,4IP:A:1552,valid,Ki,=,0.3,uM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,AU:A:1551,invalid,,,,,[Au+],
,,,GOL:A:1550,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2B9I,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5IZF,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6J9 AZ1 DAR ACA DAR NH2:E:1,valid,Kd,=,0.18,nM,O=C([NH3+])C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,1REK,,,,,,,
,,,B8L:A:351,valid,Ki,=,200,nM,CC[C@H](C)c1cc(ccc1O)C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)C(=O)c4cc(ccc4O)OC,
,,,PTL:A:352,invalid,,,,,CCCCC=O,
,,6SOX,,,,,,,
,,,LQ2:A:401,valid,,,,,c1cc(ccc1C(=O)N)C(=O)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3BWJ,,,,,,,
,,,ARX:A:351,valid,Kd,=,0.319,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ARX:A:352,valid,Kd,=,0.319,uM,[H]/N=C(N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6SPS,,,,,,,
,,,LR5:A:403,valid,,,,,c1cc(ccc1C(=O)N)C(F)(F)F,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6SPM,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,3AE:A:401,valid,,,,,c1cc(ccc1C(=O)O)C(F)(F)F,
,,,MOH:A:402,invalid,,,,,CO,
,,3AGL,,,,,,,
,,,A03:A:351,valid,Ki,=,16,nM,[H]/N=C(N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,A03:B:351,valid,Ki,=,16,nM,[H]/N=C(N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](C)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6SNX,,,,,,,
,,,UNU:A:401,valid,,,,,c1ccc(cc1)C(=O)N,
,,,UNU:A:402,valid,,,,,c1ccc(cc1)C(=O)N,
,,6ZN0,,,,,,,
,,,MRD:A:401,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NTN:A:404,valid,,,,,c1cnccc1C(=N)N,
,,,NTN:A:405,valid,,,,,c1cnccc1C(=N)N,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,6SNN,,,,,,,
,,,BEZ:A:401,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:A:402,valid,,,,,c1ccc(cc1)C(=O)O,
,,1RE8,,,,,,,
,,,BD2:A:351,valid,Ki,=,0.3,nM,c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O,
,,,OCT:A:555,invalid,,,,,CCCCCCCC,
,,1SZM,,,,,,,
,,,BI4:A:351,valid,ic50,=,2.94,uM,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,BI4:B:351,valid,ic50,=,2.94,uM,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,1REJ,,,,,,,
,,,B1L:A:351,valid,Ki,=,5,nM,c1cc(ccc1C(=O)N[C@@H]2CNCCC[C@H]2OC(=O)c3ccc(cc3)O)O,
,,6SPY,,,,,,,
,,,MPD:A:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,LR8:A:401,valid,,,,,c1cc(ncc1C(=O)N)N2CCOCC2,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,6Z08,,,,,,,
,,,NPO:A:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])O,
,,5IZJ,,,,,,,
,,,PO4:B:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:413,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:407,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:411,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:408,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:410,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:409,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,6J9:B:413,valid,,,,,c1c[nH]c2c1c(ncn2)N3CCNCC3,
,,,6J9:A:414,valid,,,,,c1c[nH]c2c1c(ncn2)N3CCNCC3,
,,,6J9 ZEU DAR DAR DAR NH2:F:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,6J9 ZEU DAR DAR NH2:G:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)CCCCCCCC(=O)N1CCN(c2ncnc3[nH]ccc23)CC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,3AG9,,,,,,,
,,,A02:B:351,valid,Ki,=,9,nM,[H]/N=C(N)/NCCC[C@H](C(=O)N)NC(=O)[C@@H](CCCN/C(=N/[H])/N)NC(=O)CCCCCNC(=O)[C@@H](CCCCN)NC(=O)CCCCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6YPS,,,,,,,
,,,P72:A:402,valid,,,,,[H]/N=C(c1ccc(cc1)O)/N,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,6Z44,,,,,,,
,,,IPH:A:401,valid,,,,,c1ccc(cc1)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,MRD:A:405,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,6SPU,,,,,,,
,,,GAB:A:405,valid,,,,,c1cc(cc(c1)N)C(=O)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,4N70,,,,,,,
,,,2HX:A:401,valid,Ki,=,0.001,nM,C[C@H]1CN(C[C@H]([C@@H]1O)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F,
,,1XR1,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4MBI,,,,,,,
,,,26K:A:401,valid,,,,,CN(C)CCNc1ccn2c(n1)c(cn2)c3c[nH]nc3,
,,5TEX,,,,,,,
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,7AU:A:402,valid,ic50,=,0.4,uM,Cn1c(c(c2c1nccc2Cl)c3ccc(cc3)CO)c4ccc(cc4)N5CCNCC5,
,,4MTA,,,,,,,
,,,2D2:A:401,valid,,,,,Cc1c(cc(o1)c2ccccc2)C(=O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,3VBT,,,,,,,
,,,0F9:A:1,valid,ic50,=,37,uM,c1cc(c(cc1Cl)c2cc[nH]n2)O,
,,1YXX,,,,,,,
,,,IMD:A:322,invalid,,,,,c1c[nH+]c[nH]1,
,,,LI7:A:323,valid,,,,,c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2,
,,5IIS,,,,,,,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,6CB:A:402,valid,Ki,<,0.001,uM,Cc1cc(cc(n1)N)c2ccncc2NC(=O)c3c(ccc(n3)c4ccccc4F)N,
,,6L11,,,,,,,
,,,E2C:A:401,valid,ic50,=,705,nM,CCN(CC)CCCCCN1c2ccccc2Oc3c1cc(cc3)Cl,
,,4K1B,,,,,,,
,,,1OC:A:402,valid,Ki,=,0.003,nM,c1ccc(c(c1)c2cc3c(c[nH]c3nc2)NC(=O)c4cnn5c4nc(cc5)NC[C@H]6CCNC[C@@H]6F)F,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4XH6,,,,,,,
,,,HUL:A:401,valid,ic50,=,2.71,uM,COc1c(cc2c(c1O)C(=O)C=C(O2)c3ccc(cc3)O)O,
,,1YXU,,,,,,,
,,,AMP:A:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:650,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:750,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:850,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,IMD:A:500,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:600,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:700,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:800,invalid,,,,,c1c[nH+]c[nH]1,
,,1XWS,,,,,,,
,,,BI1:A:1001,valid,,,,,CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5,
,,,SO4:A:2001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3R04,,,,,,,
,,,IMD:A:4496,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:4497,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:4498,invalid,,,,,c1c[nH+]c[nH]1,
,,,UNQ:A:555,valid,ic50,=,0.12,uM,c1cc2c(cc1c3cncc(n3)NC4CCC(CC4)N)cc(o2)C(=O)O,
,,5O12,,,,,,,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,1RO:A:401,valid,,,,,c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4,
,,5VUA,,,,,,,
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,8GX:B:403,valid,ic50,=,92,nM,COc1ccc2c(c1CN3CCNCC3)O/C(=Cc4c[nH]c5c4ccnc5)/C2=O,
,,5IPJ,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,6CD:A:401,valid,Kd,=,1.3,nM,C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C)NC(C)(C)C)C(=O)N1,
,,2C3I,,,,,,,
,,,IYZ:B:1306,valid,Kd,=,25,nM,CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4,
,,,LYS ARG ARG ARG HIS PRO SER GLY:A:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NCC=O)CO)CCC1)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C([NH3+])CCCC[NH3+],
,,3VBW,,,,,,,
,,,0FN:A:1,valid,ic50,=,6,uM,c1ccc2c(c1)C(=O)C(C2=O)C#N,
,,5VUB,,,,,,,
,,,8GU:B:402,valid,ic50,=,447,nM,COc1ccc2c(c1CN3CCNCC3)O/C(=Cc4c[nH]c5c4nccc5)/C2=O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,3F2A,,,,,,,
,,,985:A:1,valid,ic50,=,57,nM,C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)C=CC(=O)O,
,,,MG:A:314,Part of Protein,,,,,[Mg+2],
,,5TOE,,,,,,,
,,,7GK:A:401,valid,ic50,=,2.5,uM,c1cc(ccc1c2cc3c(ccnc3[nH]2)C#N)N4CCNCC4,
,,4WT6,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,3U6:A:401,valid,ic50,=,0.012,uM,c1cc(nc(c1)NC2CCCC2)c3c[nH]c4c3cc(cc4)c5nnc(s5)N,
,,5O13,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,9G5:A:401,valid,,,,,CN1CCCN(CC1)C(=O)c2cccc(c2)c3ccc(o3)/C=C/4c5cc(ccc5NC4=O)Cl,
,,4WRS,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,3U1:A:403,valid,ic50,=,0.4,nM,c1cc(c(c(c1)F)c2ccc3c(c2)c(n[nH]3)c4cncc(n4)O[C@H]5CNCCC56CC6)F,
,,2XIX,,,,,,,
,,,XIX:A:1307,valid,,,,,c1([nH]nc(n1)N)N,
,,2J2I,,,,,,,
,,,LY4:B:1307,valid,ic50,=,0.2,uM,CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O,
,,,SO4:B:1306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VBQ,,,,,,,
,,,0F5:A:555,valid,ic50,=,470,pM,c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)/C=C4/C(=O)NC(=O)S4,
,,5TEL,,,,,,,
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,7AJ:A:402,valid,,,,,CN1CCN(CC1)CCn2cc(c3c2cc(c(c3)OC)OC)c4cc5c(ccnc5[nH]4)Cl,
,,2OBJ,,,,,,,
,,,VRV:A:400,valid,ic50,=,0.05,uM,c1ccc(cc1)C2=C(C(=O)NC(=C2)c3cc(ccc3O)Br)C#N,
,,2O3P,,,,,,,
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,QUE:A:501,valid,ic50,=,1.1,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,3VBY,,,,,,,
,,,0FR:A:1,valid,ic50,=,28,uM,c1ccc2c(c1)c(c[nH]2)C(=O)c3ccco3,
,,,IMD:A:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:327,invalid,,,,,c1c[nH+]c[nH]1,
,,2XIY,,,,,,,
,,,CL:A:1309,invalid,,,,,[Cl-],
,,,DMS:A:1308,invalid,,,,,CS(=O)C,
,,,GOL:A:1310,invalid,,,,,C(C(CO)O)O,
,,,XIY:A:1307,valid,,,,,c1ccc2c(c1)[nH]c(n2)CO,
,,6VRV,,,,,,,
,,,WFY:A:401,valid,,,,,Cc1cn(c2c1c(cc(n2)C(=O)N)Cl)[C@@H](C)[C@@]3(CCNC3)F,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5V80,,,,,,,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,971:A:402,valid,,,,,CN1CCN(CC1=O)c2cc3c(cn2)[nH]nc3c4cccc(n4)N5CCNCC5,
,,4A7C,,,,,,,
,,,ACT:A:1308,invalid,,,,,CC(=O)[O-],
,,,E46:A:1306,valid,ic50,=,0.006,uM,c1cc(cc(c1)OC(F)(F)F)n2c3c(ccc(n3)NCC4CCNCC4)nn2,
,,,IMD:A:1307,invalid,,,,,c1c[nH+]c[nH]1,
,,6L14,,,,,,,
,,,E2L:A:401,valid,ic50,=,181.5,nM,c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC[C@@H]4CCCNC4,
,,3BGQ,,,,,,,
,,,VX2:A:314,valid,Ki,=,11,nM,c1cc(cc(c1)C(F)(F)F)c2nnc3n2nc(cc3)NC4CCCCC4,
,,5O11,,,,,,,
,,,3NG:A:401,valid,ic50,=,0.216,uM,c1cc(cc(c1)Cl)Nc2c3ccncc3c4ccc(cc4n2)C(=O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,CL:A:405,invalid,,,,,[Cl-],
,,6L16,,,,,,,
,,,E2U:A:401,valid,ic50,=,1.7,nM,c1cc2c(cc1Cl)N(c3ccncc3O2)CCC4CCN(CC4)CCN,
,,3R02,,,,,,,
,,,IMD:A:4496,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:4497,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:4498,invalid,,,,,c1c[nH+]c[nH]1,
,,,UNM:A:555,valid,ic50,=,0.001,uM,c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O,
,,4K18,,,,,,,
,,,1OB:A:402,valid,Ki,=,1.1,nM,c1cc(ccc1Cc2cc(n3c(n2)c(cn3)C(=O)Nc4ccc(cc4)F)O)C#N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5DIA,,,,,,,
,,,5E6:A:401,valid,,,,,c1cc(nc(c1)N[C@H]2CCC[C@@H](C2)N)c3c4cc(ncc4[nH]n3)c5cccnc5,
,,5KZI,,,,,,,
,,,6YN:A:401,valid,ic50,=,0.07,nM,c1cc(c(c(c1)F)c2ccc3cnc(n3n2)Nc4cnccc4N5CCC[C@@H](C5)N)F,
,,2BIK,,,,,,,
,,,BI1:B:1306,valid,,,,,CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5,
,,,CL:B:1307,invalid,,,,,[Cl-],
,,,CL:B:1308,invalid,,,,,[Cl-],
,,4BZN,,,,,,,
,,,UGX:A:1306,valid,ic50,=,1.441,uM,CC(C)(C)CNC(=O)C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3,
,,3VBV,,,,,,,
,,,0FK:A:1,valid,ic50,=,10,uM,c1cc2ccc(nc2c(c1)O)C(=O)N,
,,3UIX,,,,,,,
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,Q17:A:400,valid,ic50,=,0.151,uM,c1ccc2c(c1)c(nc(n2)c3ccccc3O)NCCCN,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YXV,,,,,,,
,,,IMD:A:322,invalid,,,,,c1c[nH+]c[nH]1,
,,,LI6:A:323,valid,,,,,CN1c2ccccc2C(=C(C1=O)O)O,
,,3UMW,,,,,,,
,,,596:A:400,valid,ic50,=,3,nM,COc1ccc2c(c1CN3CCNCC3)O/C(=Cc4c5ccccc5[nH]n4)/C2=O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1YHS,,,,,,,
,,,STU:A:306,valid,ic50,=,0.01,uM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,2XJ1,,,,,,,
,,,XJ1:A:1307,valid,Kd,=,28,nM,c1cc(cc(c1)c2cncc(n2)NC3CCC(CC3)N)C=CC(=O)O,
,,2O64,,,,,,,
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,MYU:A:501,valid,ic50,=,0.34,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O,
,,4ALW,,,,,,,
,,,HY7:A:1308,valid,ic50,=,27,nM,CN1CCN(CC1)CC2=Nc3c4cc(ccc4oc3C(=O)N2)Br,
,,,IMD:A:1309,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:1307,invalid,,,,,c1c[nH+]c[nH]1,
,,3BGZ,,,,,,,
,,,VX3:A:314,valid,Ki,=,0.55,uM,c1ccc(cc1)c2c3cccc(c3[nH]c2c4ccccc4)C(=O)O,
,,6VRU,,,,,,,
,,,ROY:A:402,valid,,,,,c1c(c2c(c(n(c2nc1C(=O)N)CC3CCNCC3)C4CC4)Cl)Cl,
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,2O63,,,,,,,
,,,IMD:A:401,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:403,invalid,,,,,c1c[nH+]c[nH]1,
,,,MYC:A:501,valid,ic50,=,0.78,uM,c1c(cc(c(c1O)O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,5V82,,,,,,,
,,,96Y:A:401,valid,Ki,=,0.07,nM,Cc1cncc(n1)c2cc3c(cn2)cnn3c4cccc(n4)[C@H]5CNCCC5(F)F,
,,3VC4,,,,,,,
,,,0FS:A:1,valid,ic50,=,24,nM,c1cc(cc(c1)C(F)(F)F)/C=C2/C(=O)NC(=O)S2,
,,,IMD:A:1001,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:327,invalid,,,,,c1c[nH+]c[nH]1,
,,5DHJ,,,,,,,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,5E5:A:401,valid,Ki,=,0.2,uM,Cc1c2cc(ncc2n[nH]1)c3cccnc3,
,,2XIZ,,,,,,,
,,,XIZ:A:1307,valid,,,,,c1cnccc1C=CC(=O)O,
,,1YI3,,,,,,,
,,,LY2:A:306,valid,ic50,=,4,uM,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4,
,,2XJ2,,,,,,,
,,,985:A:1001,valid,Kd,=,66,nM,C[N@]1CCCN(CC1)c2cncc(n2)c3cccc(c3)C=CC(=O)O,
,,1YI4,,,,,,,
,,,ADN:A:306,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,3R00,,,,,,,
,,,IMD:A:1001,invalid,,,,,c1c[nH+]c[nH]1,
,,,UNJ:A:1,valid,ic50,=,8.5,uM,c1cc2c(cc1Br)cc(o2)C(=O)O,
,,3A99,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,3C4E,,,,,,,
,,,C4E:A:306,valid,ic50,~,100,uM,c1ccc(cc1)Nc2c[nH]c3c2cccn3,
,,,C4E:B:306,valid,ic50,~,100,uM,c1ccc(cc1)Nc2c[nH]c3c2cccn3,
,,,C4E:C:306,valid,ic50,~,100,uM,c1ccc(cc1)Nc2c[nH]c3c2cccn3,
,,,C4E:D:306,valid,ic50,~,100,uM,c1ccc(cc1)Nc2c[nH]c3c2cccn3,
,,,IMD:A:1,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:2,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:4,invalid,,,,,c1c[nH+]c[nH]1,
,,3MA3,,,,,,,
,,,01I:A:313,valid,ic50,=,60,nM,c1cc2c(cc(o2)C(=O)O)c3c1cc4cc(oc4c3)C(=O)O,
,,,LYS ARG ARG ARG HIS PRO SER:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CO)CCC1)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C([NH3+])CCCC[NH3+],
,,3VBX,,,,,,,
,,,0FO:A:1,valid,ic50,=,17,uM,c1cc2c(cc1Br)C(=CC(=O)O2)O,
,,5DGZ,,,,,,,
,,,L20:A:401,valid,Ki,=,14,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2OI4,,,,,,,
,,,CL:X:1001,invalid,,,,,[Cl-],
,,,EDO:X:1002,invalid,,,,,C(CO)O,
,,,EDO:X:1003,invalid,,,,,C(CO)O,
,,,EDO:X:1004,invalid,,,,,C(CO)O,
,,,EPE:X:2691,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,JM1:X:1000,valid,ic50,=,2.5,nM,c1ccc2c(c1)c3c4n2[Ru]5678(C9C5C6C7C89)([N]1=C4C(=CC(=C1)F)C1=C3C(=O)NC1=O)C#[O+],
,,5EOL,,,,,,,
,,,5QO:A:401,valid,ic50,=,0.3,nM,Cc1c2nc3c(cccc3n1)-c4cc5c([nH]4)[C@@H](C/C=C[C@H](N2)C)CNC5=O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5VUC,,,,,,,
,,,8GR:B:402,valid,ic50,=,2,nM,COc1ccc2c(c1CN3CCNCC3)O/C(=Cc4c[nH]c5c4cccc5)/C2=O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,3WE8,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RUI:A:401,valid,,,,,c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O,
,,6L17,,,,,,,
,,,E2X:A:401,valid,,,,,c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4,
,,3BWF,,,,,,,
,,,DWC:A:315,valid,ic50,=,200,pM,c1cc2c3c(c4c5cc(ccc5n6c4c2[n+](c1)[Os]67891(C2C7=C8C9=C12)C#[O+])O)C(=O)NC3=O,
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6MT0,,,,,,,
,,,JYG:A:401,valid,,,,,C[C@@H]1c2c(cc([nH]2)c3cccc4c3N=C(N(C4=O)C5(CC5)C)NC6(CC6)C)C(=O)N1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4WSY,,,,,,,
,,,3U5:A:401,valid,ic50,=,0.017,uM,c1ccc2c(c1)cc(cn2)c3c4cc(ccc4n[nH]3)c5cnc(s5)N,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4BZO,,,,,,,
,,,676:A:1306,valid,ic50,=,0.013,uM,c1ccc(cc1)[C@@H](CN)NC(=O)C[C@H]2CNC(=O)c3n2cc(c3)c4ccnc(c4)F,
,,5DWR,,,,,,,
,,,5H7:A:401,valid,Ki,<,0.001,uM,C[C@H]1C[C@H](C[C@H](C1)N)c2ccncc2NC(=O)c3ccc(c(n3)c4c(cccc4F)F)F,
,,6L13,,,,,,,
,,,E2F:A:401,valid,ic50,=,241.7,nM,c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CCC4CCNCC4,
,,4XHK,,,,,,,
,,,3YR:B:401,valid,ic50,=,5,nM,c1cc(c(c(c1)F)c2nc(cs2)C(=O)Nc3cnccc3O[C@H]4CCNC4)F,
,,4K0Y,,,,,,,
,,,1OA:A:401,valid,Ki,=,15,nM,c1cc(ccc1NC(=O)c2cnn3c2nc(cc3O)C4CCNCC4)F,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4DTK,,,,,,,
,,,7LI:A:408,valid,ic50,<,0.004,uM,CC(C)Oc1cccc(c1[N@]2CCC[C@H](C2)N)/C=C3/C(=O)NC(=O)S3,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4N6Z,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,2HW:A:401,valid,Ki,=,16,nM,c1cncc(c1N2CCC[C@@H](C2)N)NC(=O)c3c(nccn3)N,
,,6NO9,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,KUV:A:504,valid,Ki,=,0.03,nM,Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@H](CC4)F)N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,6L12,,,,,,,
,,,E2R:A:401,valid,ic50,=,162,nM,c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N,
,,4AS0,,,,,,,
,,,RPS:A:1306,valid,,,,,c1c2c(cc3c1C4=[N]([Ru]356([S]7CC[S]5CC[S]6CC7)C#[O+])C=CC=C4)C(=O)NC2=O,
,Family. Representative Entry is ,1O9U,,,,,,,
,,,ADZ:A:1386,valid,,,,,Cn1cnc2c1ncnc2N,
,Family. Representative Entry is ,4IZY,,,,,,,
,,,1J2:A:401,valid,ic50,=,3,nM,CS(=O)(=O)C1CCN(CC1)c2cccc3c2ccn3c4ccnc(n4)NC5CCC(CC5)O,
,,4E73,,,,,,,
,,,0NR:A:401,valid,ic50,=,0.049,uM,COC(=O)C1=C(C(=O)c2cccnc2N1c3ccccc3)Cc4ccc(cc4)C(=O)NC5[C@@H]6CC7C[C@H]5CC(C6)(C7)N,
,,4HYS,,,,,,,
,,,1BJ:A:401,valid,ic50,=,0.055,uM,c1ccc2c(c1)cnn2c3ccnc(n3)NC4CCC(CC4)O,
,,4HYU,,,,,,,
,,,1BK:A:401,valid,ic50,=,6.2,nM,CS(=O)(=O)CCCOc1cccc2c1cnn2c3ccnc(n3)NC4CCC(CC4)O,
,Family. Representative Entry is ,3RWP,,,,,,,
,,,ABQ:A:360,valid,Ki,=,0.6,nM,CC(C)n1cc(c2c1ncnc2N)C(=O)c3cncc(n3)N[C@@H]4COC[C@@H]4c5ccc(cc5)F,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:910,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:908,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:909,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BIY,,,,,,,
,,,ATP:A:1373,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UU9,,,,,,,
,,,BI3:A:1370,valid,ic50,=,3.8,uM,c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN,
,,,GOL:A:1357,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LVO,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,78W:A:402,valid,,,,,CC(=O)CS/C(=N/c1ccc(cc1)Cl)/NC(=O)c2c(cccc2Cl)F,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DTD:A:404,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,4XX9,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,RF4:A:403,invalid,,,,,Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C,
,,,RF4:A:402,valid,,,,,Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C,
,,2XCK,,,,,,,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,MH4:A:1360,valid,ic50,=,713,nM,Cc1cc(ccn1)CNC(=O)c2c3c(n(n2)C)-c4c(cnc(n4)Nc5ccc(cc5)N6CCN(CC6)C)CC3,
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QD4,,,,,,,
,,,3Q6:A:360,valid,ic50,=,6.31,nM,C[C@@H]1C[C@H](C[N@](C1)c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RCJ,,,,,,,
,,,3RC:A:0,valid,ic50,=,0.8,uM,c1ccc(cc1)Cn2cc(nn2)c3c[nH]c4c3cccn4,
,,2PE0,,,,,,,
,,,39Z:A:501,valid,,,,,CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CT2,,,,,,,
,,,NA:A:700,Part of Protein,,,,,[Na+],
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DTD:A:600,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,5ACK,,,,,,,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,DMS:A:800,invalid,,,,,CS(=O)C,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SVQ:A:600,valid,,,,,c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl,
,,,DTD:A:700,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,3HRC,,,,,,,
,,,ATP:A:1373,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5LVM,,,,,,,
,,,DTD:A:402,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,ADE:A:401,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5MRD,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,ATP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,S26:A:401,valid,ic50,=,36.4,uM,CCOC(=O)C1=C(C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)O,
,,,DTT:A:402,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,3ION,,,,,,,
,,,8H1:A:1,valid,ic50,=,8,nM,COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@H](Cc5ccccc5)N,
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UU7,,,,,,,
,,,BI2:A:1364,valid,ic50,=,14,uM,C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3HRF,,,,,,,
,,,ATP:A:1373,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:A:1375,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1376,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,P47:A:1374,valid,Kd,=,10.3,uM,c1ccc(cc1)/C(=CC(=O)O)/CCc2ccc(cc2)Cl,
,,3QCS,,,,,,,
,,,3Q1:A:370,valid,ic50,=,0.316,uM,c1cc2c(cc1c3cc(nc(n3)N)N4CCOCC4)n[nH]c2N,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1H1W,,,,,,,
,,,ATP:A:1373,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1366,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1367,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AW1,,,,,,,
,,,21O:A:1361,valid,,,,,c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)C(F)(F)F)C(C(=O)O)C(=O)O,
,,,ATP:A:1360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1367,invalid,,,,,[Cl-],
,,,CL:A:1368,invalid,,,,,[Cl-],
,,,CL:A:1369,invalid,,,,,[Cl-],
,,,DMS:A:1362,invalid,,,,,CS(=O)C,
,,,DMS:A:1363,invalid,,,,,CS(=O)C,
,,,MN:A:1364,Part of Protein,,,,,[Mn+2],
,,,NA:A:1365,Part of Protein,,,,,[Na+],
,,,NA:A:1366,Part of Protein,,,,,[Na+],
,,2PE2,,,,,,,
,,,464:A:501,valid,,,,,c1cc(cc(c1)C(=O)NCCN2CCCCC2)c3cc([nH]c3)CC4=C5C=C(C=CC5=NC4=O)NC(=O)N,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:609,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:599,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3H9O,,,,,,,
,,,9BD:A:1,valid,ic50,=,70,nM,COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4,
,,3QD3,,,,,,,
,,,3Q5:A:360,valid,ic50,=,0.00000001,M,C[C@H]1CC[C@H](C[N@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)NC(=O)OC(C)(C)C,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1OKY,,,,,,,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,STU:A:1368,valid,ic50,=,6.5,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,3IOP,,,,,,,
,,,8I1:A:1,valid,ic50,=,17,nM,COc1cc2c3cc(nc(c3cnc2cc1OC)N)c4cc(cnc4)OC[C@@H](Cc5ccccc5)N,
,,2PE1,,,,,,,
,,,517:A:501,valid,ic50,=,6,nM,CC(c1ccc[nH]1)C2=C3C=C(C=CC3=NC2=O)NC(=O)N,
,,,GOL:A:611,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:612,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:616,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:617,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3NAX,,,,,,,
,,,MP7:A:363,valid,,,,,c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F,
,,3QCQ,,,,,,,
,,,3Q0:A:370,valid,ic50,=,0.158,uM,CCNc1cc(nc(n1)N)c2ccc3c(c2)n[nH]c3N,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A06,,,,,,,
,,,A06:A:600,valid,,,,,c1cc(ccc1[C@@H](Cc2[nH]c3ccc(cc3n2)Cl)CC(=O)O)Cl,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:800,invalid,,,,,[Cl-],
,,,CL:A:810,invalid,,,,,[Cl-],
,,,CL:A:820,invalid,,,,,[Cl-],
,,,CL:A:830,invalid,,,,,[Cl-],
,,,CL:A:840,invalid,,,,,[Cl-],
,,,CL:A:850,invalid,,,,,[Cl-],
,,,CL:A:860,invalid,,,,,[Cl-],
,,,CL:A:870,invalid,,,,,[Cl-],
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,1Z5M,,,,,,,
,,,CL:A:698,invalid,,,,,[Cl-],
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,LI8:A:501,valid,ic50,=,30,nM,CC(C)(C(=O)N)C(=O)NCCCNc1c(cnc(n1)Nc2cccc(c2)NC(=O)N3CCCC3)Br,
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HKM,,,,,,,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,61Y:A:403,valid,ic50,=,0.013,uM,CCc1cc(nc(n1)N)c2c[nH]c3c2cc(cn3)c4c[nH]nc4,
,,3QD0,,,,,,,
,,,3Q4:A:370,valid,ic50,=,3.16,nM,C[C@@H]1CC[C@@H](C[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N)C(=O)Nc5ccccc5,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ORZ,,,,,,,
,,,2A2:A:1,Part of Protein,,,,,c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS,
,,,2A2:B:1,Part of Protein,,,,,c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS,
,,,2A2:C:1,Part of Protein,,,,,c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS,
,,,2A2:D:1,Part of Protein,,,,,c1cc(cc(c1)Cl)N2CCN(CC2)C(=O)CCCS,
,,,BI4:A:360,valid,,,,,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,BI4:B:360,valid,,,,,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,BI4:C:360,valid,,,,,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,BI4:D:360,valid,,,,,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,5LVN,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,DTD:A:401,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,ADN:A:402,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,2XCH,,,,,,,
,,,CKG:A:1360,valid,ic50,=,374,nM,c1c2c(nc(n1)N=C3C=CCC=C3)-c4c(c(nn4CC5CCNCC5)C(=O)N)CC2,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1366,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1367,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AW0,,,,,,,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,,DTD:A:900,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:A:850,Part of Protein,,,,,[Mg+2],
,,,MJF:A:600,valid,,,,,c1ccc(cc1)[C@H](CC(=O)c2ccc(cc2)Cl)C(C(=O)O)C(=O)O,
,,3OTU,,,,,,,
,,,BI4:A:360,valid,,,,,C[N@]1CCC[C@H]1CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c5cccc6,
,,,CL:A:362,invalid,,,,,[Cl-],
,,,CL:A:363,invalid,,,,,[Cl-],
,,,J30:A:1,Part of Protein,,,,,c1ccc2c(c1)cccc2CN3CCN(CC3)C(=O)CCCS,
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QCX,,,,,,,
,,,3Q2:A:370,valid,ic50,=,63,nM,C[C@@H]1COCC[N@@]1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UU3,,,,,,,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1365,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1366,invalid,,,,,C(C(CO)O)O,
,,,LY4:A:1374,valid,ic50,=,0.75,uM,CN(C)C[C@@H]1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O,
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1370,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1371,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1372,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1373,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5LVL,,,,,,,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DTD:A:402,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,537:A:401,valid,Kd,=,1.25,uM,c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O,
,,3QC4,,,,,,,
,,,MP7:A:1,valid,ic50,=,0.002,uM,c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F,
,,,MP7:B:2,valid,ic50,=,0.002,uM,c1ccc(cc1)[C@H](COc2ccc3c(c2)NC(=O)N3)NC(=O)C4=CC=CN(C4=O)Cc5ccc(c(c5)F)F,
,,3QCY,,,,,,,
,,,3Q3:A:371,valid,ic50,=,20,nM,c1ccc(cc1)NC(=O)[C@@H]2C[N@@](CCO2)c3cc(nc(n3)N)c4ccc5c(c4)n[nH]c5N,
,,,GOL:A:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:365,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:368,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:369,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1UU8,,,,,,,
,,,BI1:A:1368,valid,ic50,=,9,uM,CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1362,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1363,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1364,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1365,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1366,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1367,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CT1,,,,,,,
,,,31S:A:600,valid,,,,,c1ccc(cc1)c2ccc(cc2)/C(=CC(=O)O)/CCc3ccc(cc3)Cl,
,,,DTD:A:800,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,,4A07,,,,,,,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AZ7:A:600,valid,,,,,c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl,
,,,AZ7:A:700,valid,,,,,c1cc(ccc1[C@@H](Cc2[nH]c3c(n2)cc(cc3Cl)Cl)CC(=O)O)Cl,
,,,CL:A:850,invalid,,,,,[Cl-],
,,,CL:A:860,invalid,,,,,[Cl-],
,,,CL:A:870,invalid,,,,,[Cl-],
,,,CL:A:880,invalid,,,,,[Cl-],
,,,CL:A:890,invalid,,,,,[Cl-],
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5MY8,,,,,,,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:719,invalid,,,,,C(CO)O,
,,,EDO:A:721,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:717,invalid,,,,,C(CO)O,
,,,EDO:A:718,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:715,invalid,,,,,C(CO)O,
,,,EDO:A:723,invalid,,,,,C(CO)O,
,,,EDO:A:722,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:716,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,EDO:A:720,invalid,,,,,C(CO)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:701,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,RXZ:A:724,valid,Kd,=,72,nM,c1ccnc(c1)CN2CCN(CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(F)(F)F,
,,,DMS:A:703,invalid,,,,,CS(=O)C,
,,5MXX,,,,,,,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:709,invalid,,,,,C(CO)O,
,,,CA:A:714,invalid,,,,,[Ca+2],
,,,CA:A:717,invalid,,,,,[Ca+2],
,,,CA:A:715,invalid,,,,,[Ca+2],
,,,CA:A:716,invalid,,,,,[Ca+2],
,,,W4A:A:701,valid,ic50,=,31,nM,Cc1ccc(o1)C(=O)Nc2cc(ccc2N3CCN(CC3)C)C(F)(F)F,
,,,TRS:A:718,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1WBP,,,,,,,
,,,ACT:A:900,invalid,,,,,CC(=O)[O-],
,,,ADP:A:950,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ARG ARG ARG GLU ARG SER PRO THR ARG:B:3,valid,,,,,O=C(NC(C=O)CCCNC(=[NH2+])N)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCC(=O)[O-])CCCNC(=[NH2+])N)CO)CCC1)C(O)C,
,,5XV7,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EMH:A:705,valid,ic50,=,11,nM,CCc1cc2c(cc1N3CCC(CC3)N4CCOCC4)C(c5c(c6ccc(cc6[nH]5)C#N)C2=O)(C)C,
,,4WUA,,,,,,,
,,,3UL:A:701,valid,,,,,c1cc(c(cc1C(F)(F)F)NC(=O)c2ccncc2)N3CCCCC3,
,,,CIT:A:702,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,2B9F,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,,2F9G,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1TID,,,,,,,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2F57,,,,,,,
,,,23D:B:1,valid,,,,,CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@H]4N,
,,,TRS:A:801,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:802,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,1ID0,,,,,,,
,,,ANP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3PNA,,,,,,,
,,,CMP:A:250,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:250,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,GOL:B:251,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2B9J,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:600,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1ZY5,,,,,,,
,,,ANP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MG:B:306,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2B9H,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
3.4.13.19,,,,,,,,,
,Family. Representative Entry is ,1ITU,,,,,,,
,,,CIL:A:451,valid,,,,,CC1(C[C@@H]1C(=O)N/C(=CCCCCSCC(C(=O)O)N)/C(=O)O)C,
,,,CIL:B:452,valid,,,,,CC1(C[C@@H]1C(=O)N/C(=CCCCCSCC(C(=O)O)N)/C(=O)O)C,
,,,NAG:A:461,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:463,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:462,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:464,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:411,Part of Protein,,,,,[Zn+2],
,,,ZN:B:412,Part of Protein,,,,,[Zn+2],
3.2.1.102,,,,,,,,,
,Family. Representative Entry is ,4D71,,,,,,,
,,,SO4:A:2013,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2014,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2012,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2015,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,NAG GAL FUC A2G:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,2WMK,,,,,,,
,,,NAG FUC GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG FUC GAL FUC A2G:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,4D72,,,,,,,
,,,EDO:A:2012,invalid,,,,,C(CO)O,
,,,EDO:A:2011,invalid,,,,,C(CO)O,
,,,NAG GAL FUC A2G:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,2WMJ,,,,,,,
,,,GAL FUC GLA:C:1,valid,,,,,,
,,,GAL FUC GLA:D:1,valid,,,,,,
1.5.3.11,,,,,,,,,
,Family. Representative Entry is ,1YY5,,,,,,,
,,,FAD:A:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:804,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4ECH,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4GDP,,,,,,,
,,,FAD:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PG4:A:802,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:802,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:802,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:802,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,1RSG,,,,,,,
,,,FAD:A:1801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1H82,,,,,,,
,,,FAD:A:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GZZ:A:590,valid,Ki,=,7.5,nM,[H]/N=C(/N)NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N,
,,,GZZ:B:590,valid,Ki,=,7.5,nM,[H]/N=C(/N)NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N,
,,,GZZ:C:590,valid,Ki,=,7.5,nM,[H]/N=C(/N)NCCCCCCCCNCCCCCCCCN/C(=N/[H])/N,
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1H81,,,,,,,
,,,FAD:A:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1B37,,,,,,,
,,,FAD:A:800,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1B5Q,,,,,,,
,,,FAD:A:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MD2:A:590,valid,Ki,=,550,nM,C=C=CCNCCCCNCC=C=C,
,,,MD2:B:590,valid,Ki,=,550,nM,C=C=CCNCCCCNCC=C=C,
,,,MD2:C:590,valid,Ki,=,550,nM,C=C=CCNCCCCNCC=C=C,
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1H83,,,,,,,
,,,DIA:A:590,valid,Ki,=,300,nM,C(CCCCN)CCCN,
,,,DIA:B:590,valid,Ki,=,300,nM,C(CCCCN)CCCN,
,,,DIA:C:590,valid,Ki,=,300,nM,C(CCCCN)CCCN,
,,,FAD:A:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:579,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1H86,,,,,,,
,,,FAD NBA:A:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBA:B:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBA:C:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,NAG FCA NAG MAN MAN:E:1,Part of Protein,,,,,,
,,,NAG NAG:A:601,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1H84,,,,,,,
,,,FAD NBA:A:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBA:B:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,FAD NBA:C:590,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OCC(O)C(O)C(O)CN1c2c(N(C(O)CC[NH2+]CCC[NH2+]CCC[NH2+]C)C=3C(=O)NC(=O)NC1=3)cc(C)c(C)c2)[O-],
,,,NAG FCA NAG MAN MAN:F:1,Part of Protein,,,,,,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
6.5.1.1,,,,,,,,,
,Family. Representative Entry is ,2CFM,,,,,,,
,,,AMP:A:1563,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:1562,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6NHX,,,,,,,
,,,ATP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MES:A:1001,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6NHZ,,,,,,,
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,invalid,,,,,[Mg+2],
,,,ATP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.6.1.59,,,,,,,,,
,Family. Representative Entry is ,4ZAH,,,,,,,
,,,T5K:E:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:C:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:G:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:F:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:D:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:H:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
,,,T5K:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O,
3.4.17.2,,,,,,,,,
,Family. Representative Entry is ,4UIB,,,,,,,
,,,GOL:A:1315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1317,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1311,Part of Protein,,,,,[Zn+2],
,,,ACT:A:1313,invalid,,,,,CC(=O)[O-],
,,,GWX:A:1318,valid,ic50,=,0.001,uM,C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2NC(=O)[C@@H](CC3CCCCC3)NC(=O)N[C@@H](CCCCN)C(=O)O,
,,2PIZ,,,,,,,
,,,606:A:401,valid,ic50,=,170,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O,
,,,606:B:501,valid,ic50,=,170,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O,
,,,606:C:601,valid,ic50,=,170,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)(CCCc2ccccc2)O)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,5LRG,,,,,,,
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,73N DLY VAL 73O MAA PHE:F:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73N DLY VAL 73O MAA PHE:G:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73N DLY VAL 73O MAA PHE:H:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,1ZG7,,,,,,,
,,,P20:A:401,valid,,,,,c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl,
,,,P20:B:501,valid,,,,,c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl,
,,,P20:C:601,valid,,,,,c1cc(c(cc1NC(=N)N)[C@@H](CS)C(=O)O)Cl,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2PJ4,,,,,,,
,,,414:A:401,valid,ic50,=,13,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O,
,,,414:B:501,valid,ic50,=,13,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@@](=O)([C@H](C2CCCCC2)NC(=O)OCc3ccccc3)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,2PJ8,,,,,,,
,,,17A:A:401,valid,ic50,=,18,nM,CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,17A:B:501,valid,ic50,=,18,nM,CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,17A:C:601,valid,ic50,=,18,nM,CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)c2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,4UIA,,,,,,,
,,,ZN:A:1312,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1310,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1311,Part of Protein,,,,,[Zn+2],
,,,FH9:A:1313,valid,ic50,=,0.19,uM,CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@@H](CCCCN)C(=O)O,
,,2PJ9,,,,,,,
,,,281:A:401,valid,ic50,=,12,nM,CC(C)[C@H](NS(=O)(=O)c1cccc2c1nsn2)[P@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1ZG9,,,,,,,
,,,L06:A:401,valid,,,,,C(C[C@@H](CS)C(=O)O)CNC(=N)N,
,,,L06:B:501,valid,,,,,C(C[C@@H](CS)C(=O)O)CNC(=N)N,
,,,L06:C:601,valid,,,,,C(C[C@@H](CS)C(=O)O)CNC(=N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2JEW,,,,,,,
,,,720:A:1310,valid,Ki,=,206,nM,CCCn1cc(nc1)C[C@H](CCCN)C(=O)O,
,,,ZN:A:1308,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1309,Part of Protein,,,,,[Zn+2],
,,2PJ5,,,,,,,
,,,11B:A:401,valid,ic50,=,15,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O,
,,,11B:B:501,valid,ic50,=,15,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O,
,,,11B:C:601,valid,ic50,=,15,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](CCCCC)NC(=O)OCc2ccccc2)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,3WC5,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,CAC:A:405,invalid,,,,,C[As](=O)(C)[O-],
,,,DDK:A:403,valid,,,,,C(CC[C@@H](C[SeH])C(=O)O)CCN,
,,2PJC,,,,,,,
,,,343:A:401,valid,ic50,=,1.9,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O,
,,,343:B:501,valid,ic50,=,1.9,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O,
,,,343:C:601,valid,ic50,=,1.9,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)OCc3ccccc3)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2PJA,,,,,,,
,,,33Z:A:401,valid,ic50,=,2.2,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O,
,,,33Z:B:501,valid,ic50,=,2.2,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O,
,,,33Z:C:601,valid,ic50,=,2.2,nM,[H]/N=C(/N)Nc1cccc(c1)[C@H](C[P@](=O)([C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,1ZG8,,,,,,,
,,,L98:A:401,valid,,,,,c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O,
,,,L98:B:501,valid,,,,,c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O,
,,,L98:C:601,valid,,,,,c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,3WC7,,,,,,,
,,,EF1:A:403,valid,,,,,CC(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H](CCCCCN)C(=O)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,2PJ2,,,,,,,
,,,864:A:401,valid,ic50,=,12,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,864:B:501,valid,ic50,=,12,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,864:C:601,valid,ic50,=,12,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,5LRK,,,,,,,
,,,73N DLY IIL 73O MAA PHE:G:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(CC)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73N DLY IIL 73O MAA PHE:F:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(CC)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73N DLY IIL 73O MAA PHE:H:1,valid,,,,,O=C(NC(C(=O)[O-])CCCNC(=[NH2+])N)NC1C(=O)NC(C(CC)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,2PJ3,,,,,,,
,,,86A:A:401,valid,ic50,=,6.6,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O,
,,,86A:B:501,valid,ic50,=,6.6,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O,
,,,86A:C:601,valid,ic50,=,6.6,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)CCc2ccccc2)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2PIY,,,,,,,
,,,528:A:401,valid,ic50,=,20,nM,CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,528:B:501,valid,ic50,=,20,nM,CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,528:C:601,valid,ic50,=,20,nM,CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2PJ0,,,,,,,
,,,922:A:401,valid,ic50,=,8.1,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O,
,,,922:B:501,valid,ic50,=,8.1,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O,
,,,922:C:601,valid,ic50,=,8.1,nM,[H]/N=C(/N)Nc1cccc(c1)[C@@H](C(=O)O)O[P@](=O)([C@H](C(C)C)NC(=O)OCc2ccccc2)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,3WAB,,,,,,,
,,,DDW:A:403,valid,,,,,C(CC[C@@H](CS)C(=O)O)CCN,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,CAC:A:405,invalid,,,,,C[As](=O)(C)[O-],
,,2PJB,,,,,,,
,,,983:A:401,valid,ic50,=,19,nM,CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,983:B:501,valid,ic50,=,19,nM,CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,983:C:601,valid,ic50,=,19,nM,CC(C)[C@H](NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)[P@@](=O)(C[C@@H](c3cccc(c3)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,2PJ1,,,,,,,
,,,578:A:401,valid,ic50,=,9.7,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O,
,,,578:B:501,valid,ic50,=,9.7,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O,
,,,578:C:601,valid,ic50,=,9.7,nM,CC(C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@@H](c2cccc(c2)CN)C(=O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
,,5LRJ,,,,,,,
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,73P DLY VAL 73O MAA PHE:G:1,valid,,,,,O=C(NC(C(=O)[O-])CCCC[NH3+])NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73P DLY VAL 73O MAA PHE:F:1,valid,,,,,O=C(NC(C(=O)[O-])CCCC[NH3+])NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,,73P DLY VAL 73O MAA PHE:H:1,valid,,,,,O=C(NC(C(=O)[O-])CCCC[NH3+])NC1C(=O)NC(C(C)C)C(=O)NC(CCc2ccc(O)cc2)C(=O)N(C)C(C)C(=O)NC(Cc2ccccc2)C(=O)NCCCC1,
,,2PJ6,,,,,,,
,,,059:A:401,valid,ic50,=,49,nM,CC(C)[C@H](NS(=O)(=O)CCc1ccccc1)[P@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,5ZEQ,,,,,,,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,CAC:A:407,invalid,,,,,C[As](=O)(C)[O-],
,,,9B3:A:406,valid,,,,,c1c(cnc(c1Cl)N)C[C@H](C[SeH])C(=O)O,
,,2PJ7,,,,,,,
,,,235:A:401,valid,ic50,=,17,nM,CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,235:B:501,valid,ic50,=,17,nM,CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,235:C:601,valid,ic50,=,17,nM,CC(C)[C@H](NS(=O)(=O)c1ccccc1)[P@@](=O)(C[C@@H](c2cccc(c2)CN)C(=O)O)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:600,Part of Protein,,,,,[Zn+2],
1.13.11.33,,,,,,,,,
,Family. Representative Entry is ,1LOX,,,,,,,
,,,FE2:A:840,Part of Protein,,,,,[Fe+2],
,,,RS7:A:841,valid,Ki,=,3,uM,CCCCCCC#Cc1ccccc1C=CC(=O)O,
,,2P0M,,,,,,,
,,,FE2:A:840,Part of Protein,,,,,[Fe+2],
,,,FE2:B:840,Part of Protein,,,,,[Fe+2],
,,,RS7:B:841,valid,,,,,CCCCCCC#Cc1ccccc1C=CC(=O)O,
1.3.1.-,,,,,,,,,
,Family. Representative Entry is ,2RH4,,,,,,,
,,,EMO:A:401,valid,Ki,=,15,uM,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1X7H,,,,,,,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,1X7G,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1W4Z,,,,,,,
,,,FMT:A:1263,invalid,,,,,C(=O)O,
,,,FMT:A:1264,invalid,,,,,C(=O)O,
,,,FMT:A:1265,invalid,,,,,C(=O)O,
,,,FMT:A:1266,invalid,,,,,C(=O)O,
,,,FMT:B:1263,invalid,,,,,C(=O)O,
,,,FMT:B:1264,invalid,,,,,C(=O)O,
,,,FMT:B:1265,invalid,,,,,C(=O)O,
,,,FMT:B:1266,invalid,,,,,C(=O)O,
,,,FMT:B:1267,invalid,,,,,C(=O)O,
,,,NAP:A:1262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1262,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2RHR,,,,,,,
,,,EMO:A:302,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,EMO:A:303,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3RI3,,,,,,,
,,,EMO:A:302,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,EMO:A:303,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,EMO:B:302,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,EMO:B:303,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,2RHC,,,,,,,
,,,EMO:A:401,valid,,,,,Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3OZ2,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,OZ2:A:502,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCC/C=CCCCCCC,
,Family. Representative Entry is ,4XP7,,,,,,,
,,,FNR:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6EZA,,,,,,,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,FMN:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6EZB,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6EZC,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:408,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4EUE,,,,,,,
,,,NA:A:1002,Part of Protein,,,,,[Na+],
,,,NAI:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,5JAQ,,,,,,,
,,,NAI:A:401,valid,Kd,=,1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,3ZU5,,,,,,,
,,,AEW:A:1401,valid,Ki,=,1.5,uM,CCCCCCC1=CC(=O)N(C=C1)Cc2cccc(c2C)N,
,,,NA:A:1402,Part of Protein,,,,,[Na+],
,,,NAI:A:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5G2O,,,,,,,
,,,DMS:A:1401,invalid,,,,,CS(=O)C,
,,,DMS:A:1402,invalid,,,,,CS(=O)C,
,,,NAI:A:1400,valid,Kd,=,11,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5JAM,,,,,,,
,,,NAI:A:401,valid,Kd,=,112,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,3ZU4,,,,,,,
,,,NA:A:1402,Part of Protein,,,,,[Na+],
,,,NAI:A:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,ZU4:A:1401,valid,Ki,=,2.1,uM,CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl,
,,3ZU2,,,,,,,
,,,NA:A:1424,Part of Protein,,,,,[Na+],
,,,NAI:A:1423,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,3ZU3,,,,,,,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,NA:A:1405,Part of Protein,,,,,[Na+],
,,,NAI:A:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,5JAI,,,,,,,
,,,NAI:A:401,valid,Kd,=,2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,MES:A:405,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
2.5.1.108,,,,,,,,,
,Family. Representative Entry is ,6Q2E,,,,,,,
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:403,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6BXL,,,,,,,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6BXK,,,,,,,
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SF4:A:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:403,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
3.4.23.36,,,,,,,,,
,Family. Representative Entry is ,6RYP,,,,,,,
,,,KNH:A:201,valid,ic50,=,0.16,uM,CCC[C@H]1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O1)C)C)CC)/COC)O)O)O,
,,,PEG:A:212,invalid,,,,,C(COCCO)O,
,,,PEG:A:214,invalid,,,,,C(COCCO)O,
,,,PEG:A:213,invalid,,,,,C(COCCO)O,
,,,OLC:A:205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:208,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:210,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:209,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:211,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:207,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:206,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,SO4:A:218,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:217,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,6RYO,,,,,,,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:219,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:220,invalid,,,,,C(C(CO)O)O,
,,,OLC:A:203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:101,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:202,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:201,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,7PE:A:215,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:214,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:B:102,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:210,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:213,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:212,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:216,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:209,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:218,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,7PE:A:211,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,ZN:A:217,Part of Protein,,,,,[Zn+2],
,,,MLE IIL SER ALO 5BV:B:1,valid,ic50,=,170.7,uM,O=C1N(C)C(CC(C)C)C(=O)NC(C(CC)C)C(=O)NC(CO)C(=O)NC(C(O)C)C(=O)[N-]CC(=O)OC(CCCCCC)C1C,
3.4.25.1,,,,,,,,,
,Family. Representative Entry is ,4G4S,,,,,,,
,,,LDZ:L:301,valid,,,,,CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:H:201,Part of Protein,,,,,[Mg+2],
,,,MG:I:301,Part of Protein,,,,,[Mg+2],
,,,MG:J:301,Part of Protein,,,,,[Mg+2],
,,,MG:J:302,Part of Protein,,,,,[Mg+2],
,,,MG:L:302,Part of Protein,,,,,[Mg+2],
,,,MG:M:301,Part of Protein,,,,,[Mg+2],
,,,MG:M:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3NZW,,,,,,,
,,,BOC TY5 ALA RE0 ABN:3:1,valid,ic50,=,1.5,uM,O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccccc1)CC1(O)C(=O)Nc2c1cccc2)C)Cc1ccc(OCc2ccccc2)cc1,
,,,BOC TY5 ALA RE0 ABN:4:1,valid,ic50,=,1.5,uM,O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccccc1)CC1(O)C(=O)Nc2c1cccc2)C)Cc1ccc(OCc2ccccc2)cc1,
,,,MES:K:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:Y:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,3NZJ,,,,,,,
,,,BOC TY5 ALA TRO ABN:3:1,valid,,,,,O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccccc1)CC1C(=O)Nc2c1cccc2)C)Cc1ccc(OCc2ccccc2)cc1,
,,,BOC TY5 ALA TRO ABN:4:1,valid,,,,,O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NCc1ccccc1)CC1C(=O)Nc2c1cccc2)C)Cc1ccc(OCc2ccccc2)cc1,
,,,MES:K:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:Y:212,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6H39,,,,,,,
,,,MG:Y:802,Part of Protein,,,,,[Mg+2],
,,,MG:V:301,Part of Protein,,,,,[Mg+2],
,,,MG:X:201,invalid,,,,,[Mg+2],
,,,MG:Y:803,Part of Protein,,,,,[Mg+2],
,,,MG:Z:301,Part of Protein,,,,,[Mg+2],
,,,MG:N:201,Part of Protein,,,,,[Mg+2],
,,,MG:K:803,Part of Protein,,,,,[Mg+2],
,,,MG:I:301,Part of Protein,,,,,[Mg+2],
,,,MG:G:301,Part of Protein,,,,,[Mg+2],
,,,MG:K:802,Part of Protein,,,,,[Mg+2],
,,,FGY:K:801,valid,,,,,C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO,
,,,FGY:Y:801,valid,,,,,C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:Y:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:K:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CL:U:301,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
4.1.1.19,,,,,,,,,
,Family. Representative Entry is ,2QQD,,,,,,,
,,,AG2:A:671,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:671,valid,,,,,C(CCNC(=N)N)CN,
,,,MPD:C:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PYR:B:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:E:53,Part of Protein,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,2NVA,,,,,,,
,,,PL2:A:2001,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:B:2002,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:C:2003,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:D:2004,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:E:2005,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:F:2006,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:G:2007,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,,PL2:H:2008,valid,,,,,[H]/N=C(/N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O,
,,2NV9,,,,,,,
,,,PLP:A:2001,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:2002,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:2003,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:2004,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:E:2005,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:F:2006,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:G:2007,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:H:2008,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,1N13,,,,,,,
,,,AG2:B:7011,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:D:7015,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:F:7016,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:H:7012,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:J:7013,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:L:7014,valid,,,,,C(CCNC(=N)N)CN,
,,,MRD:B:7006,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:7001,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:7008,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:F:7005,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:7003,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:H:7007,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:J:7004,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:L:7002,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,3N2O,,,,,,,
,,,AG2:A:1002,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:1002,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:C:1002,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:D:1002,valid,,,,,C(CCNC(=N)N)CN,
,,,PLP:A:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:1001,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,2QQC,,,,,,,
,,,AG2:A:671,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:A:672,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:E:671,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:I:671,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:I:672,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:K:671,valid,,,,,C(CCNC(=N)N)CN,
,,,MPD:B:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:700,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PYR:B:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:D:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:F:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:H:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:J:53,Part of Protein,,,,,CC(=O)C(=O)O,
,,,PYR:L:53,Part of Protein,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,1MT1,,,,,,,
,,,AG2:A:7005,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:B:7001,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:C:7004,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:G:7003,valid,,,,,C(CCNC(=N)N)CN,
,,,AG2:K:7002,valid,,,,,C(CCNC(=N)N)CN,
1.1.1.157,,,,,,,,,
,Family. Representative Entry is ,6AA8,,,,,,,
,,,NAD:E:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
4.1.99.-,,,,,,,,,
,Family. Representative Entry is ,3RET,,,,,,,
,,,PYR:A:301,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:301,valid,,,,,CC(=O)C(=O)O,
,,,SAL:A:201,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:201,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,3REM,,,,,,,
,,,PYR:B:102,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:201,valid,,,,,CC(=O)C(=O)O,
,,,SAL:A:301,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:301,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,2H9D,,,,,,,
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,PYR:A:205,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:204,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:201,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:203,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:206,valid,,,,,CC(=O)C(=O)O,
,,,PYR:D:202,valid,,,,,CC(=O)C(=O)O,
,,3HGX,,,,,,,
,,,PYR:A:103,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:102,valid,,,,,CC(=O)C(=O)O,
,,,SAL:A:102,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:104,valid,,,,,c1ccc(c(c1)C(=O)O)O,
4.1.1.77,,,,,,,,,
,Family. Representative Entry is ,5D2H,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CL:A:312,invalid,,,,,[Cl-],
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,5D2K,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ACT:B:309,invalid,,,,,CC(=O)[O-],
,,,OOG:A:302,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,OOG:B:302,valid,,,,,C(CC(=O)C(=O)O)CC(=O)O,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,5D2J,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,0L1:A:303,valid,,,,,C(CCC(=O)O)CC(=O)O,
3.5.4.26,,,,,,,,,
,Family. Representative Entry is ,3ZPG,,,,,,,
,,,SO4:A:1359,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OXL:A:1362,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:1363,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,,,5GP:A:1367,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:1361,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:1365,invalid,,,,,[Cl-],
,,,ACT:A:1366,invalid,,,,,CC(=O)[O-],
,,,CAC:A:1364,invalid,,,,,C[As](=O)(C)[O-],
,,,ZN:A:1358,Part of Protein,,,,,[Zn+2],
3.6.3.49,,,,,,,,,
,Family. Representative Entry is ,4WZ6,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,ATP:A:701,valid,Kd,=,1.4,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1XMI,,,,,,,
,,,ATP:A:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:4,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:5,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:7,Part of Protein,,,,,[Mg+2],
,,,MG:B:6,Part of Protein,,,,,[Mg+2],
,,,MG:C:8,Part of Protein,,,,,[Mg+2],
,,,MG:D:9,Part of Protein,,,,,[Mg+2],
,,,MG:E:10,Part of Protein,,,,,[Mg+2],
,,2BBS,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,2BBT,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,1XMJ,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:2,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6GJS,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,ATP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6GJQ,,,,,,,
,,,ATP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
3.6.1.54,,,,,,,,,
,Family. Representative Entry is ,5B4B,,,,,,,
,,,LP5:B:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,LP5:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,5B4A,,,,,,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,LP5:B:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,LP5:A:301,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,5B49,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,LP5:B:303,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,LP5:A:303,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,Family. Representative Entry is ,6PJ3,,,,,,,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,OKY:A:303,valid,Ki,=,0.01,uM,CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(F)(F)F,
,,6PIB,,,,,,,
,,,PG4:A:305,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:304,invalid,,,,,C(COCCOCCOCCO)O,
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,OKV:A:303,valid,ic50,=,0.36,uM,CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F,
,,6WII,,,,,,,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,U2V:A:301,valid,,,,,c1cc(ccc1NC(=O)NCCCCC(=O)NO)S(=O)(=O)N2CCN(CC2)c3cc(cc(c3)Cl)C(F)(F)F,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,6PH9,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,PG4:A:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:307,invalid,,,,,C(COCCOCCOCCO)O,
,,,MN:A:303,invalid,,,,,[Mn+2],
,,,MN:A:304,invalid,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,LP5:A:305,valid,,,,,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
1.7.2.5,,,,,,,,,
,Family. Representative Entry is ,3WFD,,,,,,,
,,,HEC:C:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,FE:B:803,Part of Protein,,,,,[Fe+3],
,,,10M:B:805,invalid,,,,,CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,10M:B:807,invalid,,,,,CCCCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,HEM:B:802,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:801,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,AXO:B:804,valid,,,,,C/C=N/O,
,,,CA:B:806,Part of Protein,,,,,[Ca+2],
2.5.1.42,,,,,,,,,
,Family. Representative Entry is ,2F6U,,,,,,,
,,,CIT:A:3001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:3002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,2F6X,,,,,,,
,,,1GP:A:3001,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,1GP:B:3002,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,MPD:A:4001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:4002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
2.5.1.30,,,,,,,,,
,Family. Representative Entry is ,2Z7I,,,,,,,
,,,742:A:1302,valid,ic50,=,0.1,uM,CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O,
,,,742:B:1303,valid,ic50,=,0.1,uM,CCCCCCCCCCCC[P+](C)(C)CC(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:B:1302,Part of Protein,,,,,[Mg+2],
,,2E8X,,,,,,,
,,,GPP:A:1001,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,GPP:B:1002,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2ZEV,,,,,,,
,,,B71:A:1201,valid,,,,,CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,B71:B:1202,valid,,,,,CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,IPE:B:1102,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2Z4V,,,,,,,
,,,GRG:A:1401,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:1402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,,,MG:A:1502,Part of Protein,,,,,[Mg+2],
,,,MG:B:1503,Part of Protein,,,,,[Mg+2],
,,,MG:B:1504,Part of Protein,,,,,[Mg+2],
,,2E8W,,,,,,,
,,,IPE:A:1001,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1002,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1003,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,MG:B:1203,Part of Protein,,,,,[Mg+2],
,,,MG:B:1204,Part of Protein,,,,,[Mg+2],
,,2Z7H,,,,,,,
,,,GG3:A:1302,valid,Ki,=,115,nM,C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,GG3:B:341,valid,Ki,=,115,nM,C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,2Z4Y,,,,,,,
,,,252:A:1201,valid,ic50,=,0.71,uM,CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,252:A:1202,valid,ic50,=,0.71,uM,CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,252:B:1203,valid,ic50,=,0.71,uM,CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:B:1301,Part of Protein,,,,,[Mg+2],
,,2Z4W,,,,,,,
,,,749:A:1101,valid,ic50,=,0.98,uM,CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)C)/C)C,
,,,749:B:1102,valid,ic50,=,0.98,uM,CC(=CCC/C(=C/CC(P(=O)(O)O)(P(=O)(O)O)C/C=C(/CCC=C(C)C)C)/C)C,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2E93,,,,,,,
,,,B29:A:901,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:A:902,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:B:903,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,B29:B:904,valid,,,,,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,2E8U,,,,,,,
,,,IPE:A:1101,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:A:1102,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1103,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1104,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2Z4X,,,,,,,
,,,252:B:1102,valid,ic50,=,0.71,uM,CCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,252 MG:A:1101,valid,,,,,P(=O)([O-])([O-])C(P(=O)([O-])[O-])(O)CCCCCCCC.[Mg+2],
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,MG:B:1204,Part of Protein,,,,,[Mg+2],
,,,MG:B:1205,Part of Protein,,,,,[Mg+2],
,,,MG:B:1206,Part of Protein,,,,,[Mg+2],
,,2Z50,,,,,,,
,,,028:A:1201,valid,ic50,=,11.22,uM,CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,028:B:1202,valid,ic50,=,11.22,uM,CCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,2E94,,,,,,,
,,,364:A:1101,valid,,,,,c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,364:B:1102,valid,,,,,c1ccc(cc1)c2cccc(c2)c3ccc[n+](c3)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,2E91,,,,,,,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,,ZOL:A:901,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,ZOL:B:902,valid,,,,,c1cn(cn1)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,2ZEU,,,,,,,
,,,B71:A:1201,valid,,,,,CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,,B71:B:1202,valid,,,,,CCCCCCCCCCOc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O,
,,2Z4Z,,,,,,,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,SC0:A:1201,valid,ic50,=,1.86,uM,CCCCCC=CCC(CC=CCCCCC)(P(=O)(O)O)P(=O)(O)O,
,,,SC0:B:1202,valid,ic50,=,1.86,uM,CCCCCC=CCC(CC=CCCCCC)(P(=O)(O)O)P(=O)(O)O,
,,2E92,,,,,,,
,,,M0N:A:901,valid,,,,,c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,M0N:B:902,valid,,,,,c1ccn2c(c1)ncc2CC(O)(P(=O)(O)O)P(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2E8V,,,,,,,
,,,GRG:A:1501,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:1502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,2Z52,,,,,,,
,,,H23:B:1002,valid,ic50,=,2.69,uM,CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,
,,,H23 MG:A:1001,valid,,,,,P(=O)([O-])([O-])C(P(=O)([O-])[O-])(O)CCCCCCCCCCC.[Mg+2],
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,,MG:B:1305,Part of Protein,,,,,[Mg+2],
,,,MG:B:1306,Part of Protein,,,,,[Mg+2],
,,2E8T,,,,,,,
,,,FPS:A:1201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:1202,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,IPE:A:1001,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,IPE:B:1002,valid,,,,,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:A:1302,Part of Protein,,,,,[Mg+2],
,,,MG:B:1303,Part of Protein,,,,,[Mg+2],
,,,MG:B:1304,Part of Protein,,,,,[Mg+2],
,,2Z78,,,,,,,
,,,H86:A:1300,valid,,,,,CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F,
,,,H86:B:1301,valid,,,,,CCCCCCCCCCOc1cc(c[n+](c1)CC(P(=O)(O)O)P(=O)(O)O)c2cc(cc(c2)F)F,
1.7.3.3,,,,,,,,,
,Family. Representative Entry is ,7CUC,,,,,,,
,,,NA:B:406,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,AZA:B:403,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:A:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,MXE:A:406,invalid,,,,,COCCO,
,,,MXE:B:402,invalid,,,,,COCCO,
,,,MXE:A:405,invalid,,,,,COCCO,
,,,MXE:B:401,invalid,,,,,COCCO,
,,,MXE:A:407,invalid,,,,,COCCO,
,,,MXE:A:404,invalid,,,,,COCCO,
,,,OXY:B:404,invalid,,,,,O=O,
,,,OXY:A:402,invalid,,,,,O=O,
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WLV,,,,,,,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:C:402,Part of Protein,,,,,[K+],
,,,AZA:A:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:D:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:C:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,7CUG,,,,,,,
,,,MXE:A:406,invalid,,,,,COCCO,
,,,MXE:A:405,invalid,,,,,COCCO,
,,,MXE:B:401,invalid,,,,,COCCO,
,,,MXE:A:404,invalid,,,,,COCCO,
,,,MXE:A:403,invalid,,,,,COCCO,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,AZA:A:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:402,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,OXY:A:402,invalid,,,,,O=O,
,,,OXY:B:403,invalid,,,,,O=O,
,,5AYJ,,,,,,,
,,,MUA:B:401,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,MUA:A:401,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,MUA:C:401,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,MUA:D:402,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:401,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,1J2G,,,,,,,
,,,AZA:A:4320,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:1320,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:C:2320,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:D:3320,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,7CUF,,,,,,,
,,,MXE:A:406,invalid,,,,,COCCO,
,,,MXE:A:405,invalid,,,,,COCCO,
,,,MXE:B:405,invalid,,,,,COCCO,
,,,MXE:A:407,invalid,,,,,COCCO,
,,,MXE:A:404,invalid,,,,,COCCO,
,,,MXE:B:406,invalid,,,,,COCCO,
,,,NA:B:404,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,OXY:B:402,invalid,,,,,O=O,
,,,OXY:A:402,invalid,,,,,O=O,
,,,AZA:A:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3L8W,,,,,,,
,,,4PO:A:370,invalid,,,,,CC(C)(C)/[N+](=C/c1cc[n+](cc1)[O-])/[O-],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,XAN:A:300,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=O)N2,
,,2IBA,,,,,,,
,,,AZA:A:651,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:650,Part of Protein,,,,,[Na+],
,,3PKU,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,N2O:A:801,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3PK4,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,3PK6,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,3PK8,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,2FXL,,,,,,,
,,,2AL:A:302,valid,,,,,C1(=O)C(=NC(=O)N1)NC(=O)N,
,,3PKF,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,3PLI,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,2ICQ,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CYS:A:660,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,N2O:A:600,invalid,,,,,N#[N+][O-],
,,,N2O:A:601,invalid,,,,,N#[N+][O-],
,,2IC0,,,,,,,
,,,AZA:A:651,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:650,Part of Protein,,,,,[Na+],
,,,XE:A:600,invalid,,,,,[Xe],
,,4CW2,,,,,,,
,,,XDS:A:1303,valid,,,,,CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO,
,,,MPD:A:1304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4D13,,,,,,,
,,,IUP:A:1297,valid,,,,,C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO,
,,,MPD:A:1298,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3L9G,,,,,,,
,,,CL:A:800,invalid,,,,,[Cl-],
,,,MRD:A:850,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:870,Part of Protein,,,,,[Na+],
,,,URC:A:300,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,1WRR,,,,,,,
,,,UNC:A:999,valid,,,,,C1(=C(NC(=O)NC1=O)[N+](=O)[O-])N,
,,2FUB,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,4D19,,,,,,,
,,,IUP:A:1297,valid,,,,,C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO,
,,,OXY:A:1299,invalid,,,,,O=O,
,,,MPD:A:1298,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,URC:A:1300,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,3PLE,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,2ZKA,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,OXY:A:304,valid,,,,,O=O,
,,1R4S,,,,,,,
,,,MUA:A:800,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,CYS:A:700,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,3LBG,,,,,,,
,,,8TX:A:296,valid,,,,,C12=C(NC(=O)NC1=O)NC(=S)N2,
,,,8TX:A:297,valid,,,,,C12=C(NC(=O)NC1=O)NC(=S)N2,
,,,EDO:A:299,invalid,,,,,C(CO)O,
,,,EDO:A:300,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,NA:A:551,Part of Protein,,,,,[Na+],
,,,TRS:A:298,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3PKL,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,3PLJ,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,3CKS,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,OXY:A:304,valid,,,,,O=O,
,,3PKK,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,4PR8,,,,,,,
,,,URC:A:401,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,AZI:A:402,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:403,invalid,,,,,[N-]=[N+]=[N-],
,,3PLM,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,2ZKB,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,OXY:A:304,valid,,,,,O=O,
,,3BK8,,,,,,,
,,,AZA:A:303,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,3PKT,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:801,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3PLH,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,3OBP,,,,,,,
,,,NA:A:850,Part of Protein,,,,,[Na+],
,,,URC:A:302,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,3PKH,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,4N9V,,,,,,,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,AZA:A:402,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:A:401,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:A:403,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CL:A:408,invalid,,,,,[Cl-],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,3PK5,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,1XT4,,,,,,,
,,,GUN:A:901,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,4D12,,,,,,,
,,,URC:A:1303,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,,MPD:A:1302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1R51,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CYS:A:700,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,4CW6,,,,,,,
,,,MUA:A:1305,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,XDS:A:1302,valid,,,,,CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO,
,,,OXY:A:1304,invalid,,,,,O=O,
,,,MPD:A:1303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,1R4U,,,,,,,
,,,OXC:A:999,valid,,,,,C1(NC(=O)NC(=O)N1)C(=O)O,
,,3BJP,,,,,,,
,,,ACE:A:1000,invalid,,,,,CC=O,
,,,CYN:A:303,invalid,,,,,[C-]#N,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,URC:A:1001,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,3PLG,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:803,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,3PKS,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:801,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3CKU,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3PKG,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,,4CW0,,,,,,,
,,,MUA:A:1303,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,MPD:A:1302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,3LD4,,,,,,,
,,,8NX:A:300,valid,,,,,c12c(nc([nH]1)[N+](=O)[O-])NC(=O)NC2=O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,3PK3,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,N2O:A:801,invalid,,,,,N#[N+][O-],
,,,N2O:A:802,invalid,,,,,N#[N+][O-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,4CW3,,,,,,,
,,,MUA:A:1305,valid,,,,,CN1C2=C(C(=O)NC(=O)N2)NC1=O,
,,,XDS:A:1302,valid,,,,,CN1C2=NC(=O)NC(=O)[C@@]2(NC1=O)OO,
,,,OXY:A:1304,invalid,,,,,O=O,
,,,MPD:A:1303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4D17,,,,,,,
,,,IUP:A:1297,valid,,,,,C12=NC(=O)N[C@]1(C(=O)NC(=O)N2)OO,
,,,OXY:A:1299,invalid,,,,,O=O,
,,,MPD:A:1298,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,URC:A:1300,valid,,,,,C12=C(NC(=O)N1)NC(=O)NC2=O,
,,3PJK,,,,,,,
,,,AZA:A:302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,XE:A:801,invalid,,,,,[Xe],
,,,XE:A:802,invalid,,,,,[Xe],
,Family. Representative Entry is ,1VAY,,,,,,,
,,,AZA:A:1304,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:1301,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:B:1303,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:D:1302,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:E:1308,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:F:1307,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:G:1306,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
,,,AZA:H:1305,valid,,,,,c12c([nH]nn1)NC(=O)NC2=O,
2.2.1.6,,,,,,,,,
,Family. Representative Entry is ,6DEN,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,G8A:A:703,valid,,,,,CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)I)OC,
,,,FAD:A:704,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,CO2:A:706,invalid,,,,,C(=O)=O,
,,,TP9:A:705,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,6DEO,,,,,,,
,,,TP9:A:704,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:702,Part of Protein,,,,,[K+],
,,,CO2:A:706,invalid,,,,,C(=O)=O,
,,,H4V:A:705,valid,,,,,COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I,
,,6DEP,,,,,,,
,,,TP9:A:706,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:702,Part of Protein,,,,,[K+],
,,,1SM:A:704,valid,,,,,Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C,
,,,TZD:A:705,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,6DEM,,,,,,,
,,,60G:A:705,valid,,,,,COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC,
,,,TP9:A:704,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:702,Part of Protein,,,,,[K+],
,,6DES,,,,,,,
,,,6R4:A:704,valid,,,,,CCCOC1=NN(C(=O)N1C)C(=O)NS(=O)(=O)c2ccccc2C(=O)OC,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:702,Part of Protein,,,,,[K+],
,,,TZD:A:705,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,,6DEL,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,FAD:A:704,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G8G:A:706,valid,,,,,Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)OP(=O)(O)O)S)/C,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,FMT:A:707,invalid,,,,,C(=O)O,
,,,CIE:A:703,valid,,,,,CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC,
,,,TP9:A:705,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,6DEQ,,,,,,,
,,,PXD:A:704,valid,,,,,COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:702,Part of Protein,,,,,[K+],
,,,TP9:A:705,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,6DER,,,,,,,
,,,TP9:A:706,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,G87:A:704,valid,,,,,Cc1ccc(c(c1Cl)NS(=O)(=O)c2nc3nc(cc(n3n2)OC)OC)Cl,
,,,K:A:702,Part of Protein,,,,,[K+],
,,,TZD:A:705,valid,,,,,Cc1ncc(c(n1)N)CN2C(=C(SC2=O)CCO[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,1T9D,,,,,,,
,,,1MM:A:695,valid,Ki,=,9.4,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC,
,,,1MM:B:1695,valid,Ki,=,9.4,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC,
,,,1MM:C:2695,valid,Ki,=,9.4,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC,
,,,1MM:C:3695,valid,Ki,=,9.4,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:2701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:3701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:1696,Part of Protein,,,,,[K+],
,,,K:B:696,Part of Protein,,,,,[K+],
,,,K:C:3696,Part of Protein,,,,,[K+],
,,,K:D:2696,Part of Protein,,,,,[K+],
,,,MG:A:1699,Part of Protein,,,,,[Mg+2],
,,,MG:B:699,Part of Protein,,,,,[Mg+2],
,,,MG:C:3699,Part of Protein,,,,,[Mg+2],
,,,MG:D:2699,Part of Protein,,,,,[Mg+2],
,,,P22:C:3702,valid,,,,,CCO[P@](=O)(O)OP(=O)(O)O,
,,,P22:D:2702,valid,,,,,CCO[P@](=O)(O)OP(=O)(O)O,
,,,P25:A:1698,valid,,,,,CCCCCO[P@@](=O)(O)OP(=O)(O)O,
,,,P25:B:698,valid,,,,,CCCCCO[P@@](=O)(O)OP(=O)(O)O,
,,,PYD:A:703,valid,,,,,Cc1cnc(nc1N)C,
,,,PYD:B:1703,valid,,,,,Cc1cnc(nc1N)C,
,,,PYD:C:2703,valid,,,,,Cc1cnc(nc1N)C,
,,,PYD:D:3703,valid,,,,,Cc1cnc(nc1N)C,
,,1T9C,,,,,,,
,,,1SM:A:695,valid,,,,,Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C,
,,,1SM:B:1695,valid,,,,,Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:1696,Part of Protein,,,,,[K+],
,,,K:B:696,Part of Protein,,,,,[K+],
,,,MG:A:1699,Part of Protein,,,,,[Mg+2],
,,,MG:B:699,Part of Protein,,,,,[Mg+2],
,,,P22:A:1702,valid,,,,,CCO[P@](=O)(O)OP(=O)(O)O,
,,,P23:B:700,valid,,,,,CCCO[P@@](=O)(O)OP(=O)(O)O,
,,5FEM,,,,,,,
,,,60G:B:703,valid,,,,,COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC,
,,,60G:A:703,valid,,,,,COc1cc(nc(n1)NC(=O)NS(=O)(=O)Cc2ccccc2C(=O)OC)OC,
,,,MG:A:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,TPP:B:705,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,TPP:A:705,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:702,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1T9B,,,,,,,
,,,1CS:A:695,valid,Ki,=,127,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl,
,,,1CS:B:1695,valid,Ki,=,127,nM,Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:1696,Part of Protein,,,,,[K+],
,,,K:B:696,Part of Protein,,,,,[K+],
,,,MG:A:1699,Part of Protein,,,,,[Mg+2],
,,,MG:B:699,Part of Protein,,,,,[Mg+2],
,,,NSP:A:704,valid,,,,,Cc1ncc(c(n1)N)CN,
,,,P22:A:1702,valid,,,,,CCO[P@](=O)(O)OP(=O)(O)O,
,,,P25:B:698,valid,,,,,CCCCCO[P@@](=O)(O)OP(=O)(O)O,
,,,YF3:A:1705,valid,,,,,Cc1ncc(c(n1)N)CNC(C)CS,
,Family. Representative Entry is ,5WKC,,,,,,,
,,,F50:B:705,valid,,,,,CC(=O)OO,
,,,F50:A:704,valid,,,,,CC(=O)OO,
,,,F50:E:705,valid,,,,,CC(=O)OO,
,,,FAD:A:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:703,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,TP9:E:704,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,TP9:B:704,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,TP9:D:704,valid,,,,,Cc1ncc(c(n1)N)CN/C(=C(/CCO[P@](=O)([O-])O[P@@](=O)(O)[O-])S)/C,
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:E:701,Part of Protein,,,,,[Mg+2],
,,,PXD:B:702,valid,Ki,=,2.2,nM,COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC,
,,,PXD:E:702,valid,Ki,=,2.2,nM,COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC,
,,,PXD:D:702,valid,Ki,=,2.2,nM,COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC,
,,,PXD:A:702,valid,Ki,=,2.2,nM,COc1cnc(n2c1nc(n2)NS(=O)(=O)c3c(cccc3OCC(F)F)C(F)(F)F)OC,
,,,AUJ:A:705,valid,,,,,Cc1ncc(c(n1)N)C[N]2=C(SC(=C2C)CCOP(=O)(O)OP(=O)(O)O)[C@@](C)(O)OO,
,Family. Representative Entry is ,1YBH,,,,,,,
,,,CIE:A:695,valid,Ki,=,10.8,nM,CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:699,Part of Protein,,,,,[Mg+2],
,,,NHE:A:696,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,P22:A:702,valid,,,,,CCO[P@](=O)(O)OP(=O)(O)O,
2.7.7.63,,,,,,,,,
,Family. Representative Entry is ,3A7R,,,,,,,
,,,LAQ:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)CCCC[C@@H]4CCSS4)O)O)N,
,,,MG:A:1201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TVY,,,,,,,
,,,37R:B:401,valid,,,,,c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O,
,,,37R:A:402,valid,,,,,c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O,
,,,37R:A:401,valid,,,,,c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O,
,,,37R:B:402,valid,,,,,c1cc2c(cc1O)Oc3cc(c(cc3N2)CCCCC(=O)N)O,
,Family. Representative Entry is ,5T8U,,,,,,,
,,,LPA:B:401,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
,,,LPA:A:401,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
3.4.21.46,,,,,,,,,
,Family. Representative Entry is ,5NB7,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,8NQ:A:303,valid,ic50,=,0.006,uM,c1ccc2c(c1)c(nn2CC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(n5)Br)C(=O)N,
,,5NB6,,,,,,,
,,,8S2:A:301,valid,ic50,=,0.5,uM,c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)N,
,,6FTY,,,,,,,
,,,E7H:A:301,valid,,,,,c1cc2c(cc([nH]2)C(=O)N)c(c1)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)N,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,6QMR,,,,,,,
,,,J6T:F:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,,J6T:C:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,,J6T:B:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,,J6T:E:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,,J6T:D:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,,J6T:A:301,valid,ic50,=,0.012,uM,c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3cccc(c3)[C@@H](CO)N,
,,5NAW,,,,,,,
,,,8RZ:A:301,valid,ic50,=,0.05,uM,c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3[C@@H]4C[C@@H]4C[C@H]3C(=O)Nc5cccc(c5)OC(F)(F)F,
,,5MT0,,,,,,,
,,,QJS:A:301,valid,Kd,~,500,uM,c1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3c4cc(ccc4[nH]c3C(=O)O)F,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6FUG,,,,,,,
,,,E85:D:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,,E85:B:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,,E85:C:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,,E85:E:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,,E85:A:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,,E85:F:301,valid,Kd,=,50,uM,c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN,
,,5NAR,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8RW:A:302,valid,ic50,=,0.5,uM,c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3CCC[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F,
,,5FBE,,,,,,,
,,,5W5:A:302,valid,ic50,=,14,uM,COC(=O)c1ccccc1CNC(=O)N2CCC[C@H]2C(=O)Nc3cccc(c3)OC(F)(F)F,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,6FUH,,,,,,,
,,,E88:A:301,valid,Kd,=,170,uM,CC(C)[C@@H](C(=O)O)Nc1nc2ccccc2c(n1)Nc3cccc(c3)CN,
,,5FBI,,,,,,,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,5WD:A:302,valid,Kd,=,1600,uM,c1cc(cc(c1)C(=O)O)COc2ccc3c(c2)cc([nH]3)C(=O)N,
,,6QMT,,,,,,,
,,,J7B:A:301,valid,ic50,=,0.12,uM,c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN,
,,,J7B:B:301,valid,ic50,=,0.12,uM,c1ccc(c(c1)CC(=O)O)NC(=O)c2cccc(c2)c3cccc(c3)CN,
,,6FUT,,,,,,,
,,,SIN:A:302,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,E82:A:301,valid,Kd,=,20,uM,c1ccc2c(c1)CCC[C@@H]2NC(=O)c3cccc(c3)c4cccc(c4)CN,
,,6FUJ,,,,,,,
,,,E8B:A:301,valid,ic50,=,120,uM,CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN,
,,,E8B:C:301,valid,ic50,=,120,uM,CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN,
,,,E8B:B:301,valid,ic50,=,120,uM,CC(C)CC(=O)Nc1cccc(c1)c2cccc(c2)CN,
,,5FCK,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5WC:A:301,valid,Kd,=,0.006,uM,C[C@H](c1cccc(c1F)Cl)NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Cn4c5cnccc5c(n4)C(=O)N,
,,5MT4,,,,,,,
,,,M7O:A:301,valid,Kd,~,500,uM,c1ccc(cc1)CNC(=O)Nc2ccccc2C(=O)O,
,,5NBA,,,,,,,
,,,8S5:A:301,valid,ic50,=,0.05,uM,c1ccc2c(c1)c(cn2C(=O)N)NC(=O)N3C[C@@H](C[C@H]3C(=O)Nc4cccc(c4)OC(F)(F)F)F,
,,6FUI,,,,,,,
,,,E7W:A:301,valid,Kd,=,35,uM,c1ccc2c(c1)c(nc(n2)N[C@H]3CCCC[C@H]3C(=O)O)Nc4cccc(c4)CN,
,,6FTZ,,,,,,,
,,,E7E:A:301,valid,Kd,=,1000,uM,c1cc(cc(c1)NC(=O)c2cccc3c2cc([nH]3)C(=O)N)CN,
2.1.1.348,,,,,,,,,
,Family. Representative Entry is ,6TTP,,,,,,,
,,,ADN:A:601,valid,ic50,=,495,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,6Y4G,,,,,,,
,,,SFG:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,6TU1,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,NXB:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N,
,,6TTW,,,,,,,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,,NWZ:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NC4CCNCC4)O)O)N,
,,6TTT,,,,,,,
,,,NWQ:A:601,valid,,,,,CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,6TTV,,,,,,,
,,,NWW:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
,,6TTX,,,,,,,
,,,NX8:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC4CCNCC4)O)O)N,
,,,ACT:B:501,invalid,,,,,CC(=O)[O-],
2.7.6.3,,,,,,,,,
,Family. Representative Entry is ,7KDR,,,,,,,
,,,J1L:A:201,valid,Kd,=,0.047,uM,CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)S(=O)(=O)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,3HD1,,,,,,,
,,,ACT:A:192,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,5ETO,,,,,,,
,,,APC:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,5RY:A:201,valid,Kd,=,2.7,uM,c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,1HQ2,,,,,,,
,,,ACT:A:164,invalid,,,,,CC(=O)[O-],
,,,ACT:A:165,invalid,,,,,CC(=O)[O-],
,,,ACT:A:166,invalid,,,,,CC(=O)[O-],
,,,ACT:A:167,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,3HT0,,,,,,,
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,4M5J,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,YH5:A:302,valid,Kd,=,14.5,uM,COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,5ETP,,,,,,,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:A:208,Part of Protein,,,,,[Na+],
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,5RZ:A:209,valid,Kd,=,0.7,uM,c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br,
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,1DY3,,,,,,,
,,,87Y:A:201,valid,,,,,C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,5ETM,,,,,,,
,,,APC:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,5RW:A:201,valid,Kd,=,3.9,uM,c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F,
,,3HSG,,,,,,,
,,,ACT:A:192,invalid,,,,,CC(=O)[O-],
,,,ACT:A:193,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,GOL:A:194,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:195,invalid,,,,,C(C(CO)O)O,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,5ETN,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,5RX:A:206,valid,Kd,=,4.3,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl,
,,,ATP:A:205,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,4M5M,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,APC:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,DX4:A:401,valid,Kd,=,18,uM,c1[nH]c2c(n1)C(=S)NC(=N2)N,
,,1EX8,,,,,,,
,,,CL:A:162,invalid,,,,,[Cl-],
,,,A4P:A:171,valid,Kd,=,0.47,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OCC4=NC5=C(NC4)N=C(NC5=O)N)O)O)N,
,,,MG:A:161,invalid,,,,,[Mg+2],
,,4M5H,,,,,,,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,YH2:A:302,valid,Kd,=,29,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,1EQM,,,,,,,
,,,ADP:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,PO4:A:181,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3UDE,,,,,,,
,,,ACT:A:191,invalid,,,,,CC(=O)[O-],
,,,J1B:A:171,valid,,,,,CC1(C(=NC2=C(N1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C,
,,1Q0N,,,,,,,
,,,ACT:A:164,invalid,,,,,CC(=O)[O-],
,,,ACT:A:165,invalid,,,,,CC(=O)[O-],
,,,ACT:A:166,invalid,,,,,CC(=O)[O-],
,,,ACT:A:167,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,1RU2,,,,,,,
,,,APC:A:171,valid,Kd,=,0.32,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,HHR:A:181,valid,Kd,=,18,uM,c1c(nc2c(n1)N=C(NC2=O)N)CO,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,3UD5,,,,,,,
,,,EDO:A:191,invalid,,,,,C(CO)O,
,,,EDO:A:192,invalid,,,,,C(CO)O,
,,,J1A:A:171,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CNCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O,
,,4M5K,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,YH3:A:305,valid,Kd,=,5.9,uM,Cc1cccc(c1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,4M5G,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,YH1:A:302,valid,Kd,=,9.7,uM,c1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,5ETK,,,,,,,
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,NA:A:209,Part of Protein,,,,,[Na+],
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,5RU:A:202,valid,Kd,=,1.5,uM,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F,
,,3IP0,,,,,,,
,,,ACT:A:194,invalid,,,,,CC(=O)[O-],
,,,ACT:A:195,invalid,,,,,CC(=O)[O-],
,,,ACT:A:196,invalid,,,,,CC(=O)[O-],
,,,ACT:A:197,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,CL:A:192,invalid,,,,,[Cl-],
,,,CL:A:193,invalid,,,,,[Cl-],
,,,HHR:A:181,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO,
,,,HHS:A:182,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)C(=O)O,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,3ILO,,,,,,,
,,,ACT:A:192,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:191,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,3HD2,,,,,,,
,,,ACT:A:191,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:192,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,PE0:A:181,valid,,,,,c1cnc2c(n1)C(=O)NC(=N2)N,
,,4M5N,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,YH7:B:204,valid,Kd,=,7.5,uM,C1=NC2=C(NC(=S)N=C2N1)N,
,,,YH7:A:504,valid,Kd,=,7.5,uM,C1=NC2=C(NC(=S)N=C2N1)N,
,,,APC:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,1RB0,,,,,,,
,,,HH2:A:181,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,5ETL,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,invalid,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,invalid,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,invalid,,,,,[Ca+2],
,,,5RV:A:206,valid,Kd,=,23,uM,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N,
,,,5RV:C:205,valid,Kd,=,23,uM,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N,
,,,5RV:B:204,valid,Kd,=,23,uM,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N,
,,,5RV:D:204,valid,Kd,=,23,uM,c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)N=C(N3)N)C#N,
,,,ATP:C:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:205,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4M5I,,,,,,,
,,,APC:A:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,YH6:A:205,valid,Kd,=,6.7,uM,Cc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N,
,,,CL:A:206,invalid,,,,,[Cl-],
,,4F7V,,,,,,,
,,,J1D:A:201,valid,Kd,=,4.16,uM,CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCC(=O)NCCS(=O)(=O)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)C,
,,1RU1,,,,,,,
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:371,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,MG:B:361,Part of Protein,,,,,[Mg+2],
,,,MG:B:362,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,Kd,=,18,uM,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:B:381,valid,Kd,=,18,uM,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,3KUH,,,,,,,
,,,ACT:A:194,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:193,invalid,,,,,[Cl-],
,,,MG:A:191,Part of Protein,,,,,[Mg+2],
,,,MG:A:192,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,1F9H,,,,,,,
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:163,invalid,,,,,[Cl-],
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,,,,,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,3UDV,,,,,,,
,,,ACT:A:191,invalid,,,,,CC(=O)[O-],
,,,J1C:A:171,valid,Kd,=,2.55,uM,CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CCC(CC3)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C,
,,1RAO,,,,,,,
,,,AMP:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,HH2:A:181,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O,
,,7KDO,,,,,,,
,,,H73:A:201,valid,ic50,=,0.38,uM,CC1(C(=NC2=C(N1)N=C(NC2=O)N)C(=O)NCCN3CC[C@H](C[C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)C,
,,1TMM,,,,,,,
,,,ACT:A:166,invalid,,,,,CC(=O)[O-],
,,,ACT:A:167,invalid,,,,,CC(=O)[O-],
,,,ACT:A:168,invalid,,,,,CC(=O)[O-],
,,,ACT:B:365,invalid,,,,,CC(=O)[O-],
,,,APC:A:171,valid,Kd,=,0.23,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:371,valid,Kd,=,0.23,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CL:A:164,invalid,,,,,[Cl-],
,,,CL:A:364,invalid,,,,,[Cl-],
,,,CL:B:363,invalid,,,,,[Cl-],
,,,GOL:A:170,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:369,invalid,,,,,C(C(CO)O)O,
,,,HHR:A:181,valid,Kd,=,1.1,uM,c1c(nc2c(n1)N=C(NC2=O)N)CO,
,,,HHR:B:381,valid,Kd,=,1.1,uM,c1c(nc2c(n1)N=C(NC2=O)N)CO,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,MG:A:163,Part of Protein,,,,,[Mg+2],
,,,MG:B:361,Part of Protein,,,,,[Mg+2],
,,,MG:B:362,Part of Protein,,,,,[Mg+2],
,,4M5L,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,YH4:A:306,valid,Kd,=,18.9,uM,Cc1ccccc1C(=O)CSc2[nH]c3c(n2)N=C(NC3=O)N,
,,,APC:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2QX0,,,,,,,
,,,APC:A:171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:172,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:161,Part of Protein,,,,,[Mg+2],
,,,MG:A:162,Part of Protein,,,,,[Mg+2],
,,,MG:B:163,Part of Protein,,,,,[Mg+2],
,,,MG:B:164,Part of Protein,,,,,[Mg+2],
,,,PH2:A:181,valid,Kd,=,0.78,uM,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,,,PH2:B:182,valid,Kd,=,0.78,uM,C1C(=NC2=C(N1)N=C(NC2=O)N)CO,
,Family. Representative Entry is ,2BMB,,,,,,,
,,,PMM:A:1865,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O,
,,,PMM:A:1866,valid,,,,,c1c(nc2c(n1)N=C(NC2=O)N)COP(=O)(O)O,
,Family. Representative Entry is ,5ETR,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:204,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,5RW:A:202,valid,Kd,=,0.3,uM,c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F,
,,,5RW:B:202,valid,Kd,=,0.3,uM,c1cc(ccc1CSc2[nH]c3c(n2)N=C(NC3=O)N)F,
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,4AD6,,,,,,,
,,,GSY:B:1159,valid,Kd,=,16.7,uM,C(CO)n1c2c(nc1S)N=C(NC2=O)N,
,,,GSY:A:1159,valid,Kd,=,16.7,uM,C(CO)n1c2c(nc1S)N=C(NC2=O)N,
,,5ETQ,,,,,,,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:B:205,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,YH2:B:204,valid,Kd,=,0.33,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N,
,,,YH2:A:204,valid,Kd,=,0.33,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)C#N,
,,,APC:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,4CRJ,,,,,,,
,,,APC:A:1159,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MG:A:1161,Part of Protein,,,,,[Mg+2],
,,,MG:A:1160,Part of Protein,,,,,[Mg+2],
,,,YH5:A:1163,valid,Kd,=,1.1,uM,COc1ccc(cc1)C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,NO3:A:1162,invalid,,,,,[N+](=O)([O-])[O-],
,,4CWB,,,,,,,
,,,APC:A:1161,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,NO3:A:1162,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:A:1159,Part of Protein,,,,,[Mg+2],
,,,MG:A:1160,Part of Protein,,,,,[Mg+2],
,,,X6L:A:1163,valid,Kd,=,0.81,uM,c1ccc(cc1)c2ccc(cc2)C(=O)CSc3[nH]c4c(n3)C(=O)NC(=N4)N,
,,5ETS,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:206,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,5RX:B:202,valid,Kd,=,1.24,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl,
,,,5RX:A:202,valid,Kd,=,1.24,uM,c1cc(ccc1CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Cl,
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,3QBC,,,,,,,
,,,B55:A:159,valid,Kd,=,10.8,uM,c12c([nH]c(n1)S)N=C(NC2=O)N,
,,,B55:B:163,valid,Kd,=,10.8,uM,c12c([nH]c(n1)S)N=C(NC2=O)N,
,,5ETT,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:B:206,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,,,5RY:B:202,valid,Kd,=,0.59,uM,c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,5RY:A:202,valid,Kd,=,0.59,uM,c1cc(c(cc1C#N)F)CSc2[nH]c3c(n2)C(=O)NC(=N3)N,
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,5ETV,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,5RZ:A:202,valid,Kd,=,0.57,uM,c1cc(ccc1C(=O)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)Br,
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
6.1.1.5,,,,,,,,,
,Family. Representative Entry is ,1JZS,,,,,,,
,,,MRC:A:1301,valid,Ki,=,0.25,uM,CC([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@H]([C@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1WK8,,,,,,,
,,,VMS:B:999,valid,,,,,CC(C)[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N,
,,1WNZ,,,,,,,
,,,2VA:A:901,valid,,,,,CC(C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N,
,,1UE0,,,,,,,
,,,VAL:A:400,valid,,,,,CC(C)[C@@H](C(=O)O)N,
3.13.1.3,,,,,,,,,
,Family. Representative Entry is ,2DE4,,,,,,,
,,,ACT:A:1368,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1369,invalid,,,,,CC(=O)[O-],
,,,BPS:A:1366,valid,,,,,c1ccc(cc1)c2ccccc2[S@](=O)O,
,,,BPS:B:2366,valid,,,,,c1ccc(cc1)c2ccccc2[S@](=O)O,
,,2DE3,,,,,,,
,,,ACT:A:1368,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1369,invalid,,,,,CC(=O)[O-],
,,,MG:B:1001,invalid,,,,,[Mg+2],
,,,OBP:A:1366,valid,,,,,c1ccc(c(c1)c2ccccc2[S@@](=O)O)O,
,,,OBP:B:2366,valid,,,,,c1ccc(c(c1)c2ccccc2[S@@](=O)O)O,
3.4.22.1,,,,,,,,,
,Family. Representative Entry is ,3AI8,,,,,,,
,,,HNQ:A:255,valid,Ki,=,271.8,uM,c1cc2c(ccc(c2nc1)O)[N+](=O)[O-],
,,,HNQ:B:255,valid,Ki,=,271.8,uM,c1cc2c(ccc(c2nc1)O)[N+](=O)[O-],
2.2.1.7,,,,,,,,,
,Family. Representative Entry is ,6OUV,,,,,,,
,,,TDK:A:701,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,TDK:B:701,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)[C@@](C)(O)[P@@](=O)(O)OC)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,NA:B:703,Part of Protein,,,,,[Na+],
,,6OUW,,,,,,,
,,,NA:A:703,Part of Protein,,,,,[Na+],
,,,HTL:A:701,valid,,,,,Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(=O)C)CCO[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2O1S,,,,,,,
,,,DPO:B:4001,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,DPO:D:4002,invalid,,,,,[O-]P(=O)([O-])OP(=O)([O-])[O-],
,,,K:A:2001,Part of Protein,,,,,[K+],
,,,K:B:2002,Part of Protein,,,,,[K+],
,,,K:C:2003,Part of Protein,,,,,[K+],
,,,K:D:2004,Part of Protein,,,,,[K+],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,MG:C:1003,Part of Protein,,,,,[Mg+2],
,,,MG:D:1004,Part of Protein,,,,,[Mg+2],
,,,TDP:A:3001,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
,,,TDP:C:3002,valid,,,,,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@@](=O)(O)O[P@](=O)(O)[O-],
1.13.12.4,,,,,,,,,
,Family. Representative Entry is ,6DVH,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:E:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6DVI,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:E:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
6.1.1.9,,,,,,,,,
,Family. Representative Entry is ,1WK9,,,,,,,
,,,TSB:A:999,valid,,,,,C[C@H]([C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
1.16.5.1,,,,,,,,,
,Family. Representative Entry is ,4O79,,,,,,,
,,,HEM:A:302,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:302,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ASC:B:303,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4O7G,,,,,,,
,,,HEM:A:302,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:302,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ASC:B:303,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ASC:A:303,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ASC:B:304,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
1.14.11.2,,,,,,,,,
,Family. Representative Entry is ,4BTB,,,,,,,
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO:C:0,valid,Kd,=,9.8,uM,O=C(N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)CCC2)CCC1,
,,4BT9,,,,,,,
,,,PRO PRO GLY PRO PRO GLY PRO PRO GLY:C:1,valid,Kd,=,143.5,uM,O=C([O-])CNC(=O)C1N(C(=O)C2N(C(=O)CNC(=O)C3N(C(=O)C4N(C(=O)CNC(=O)C5N(C(=O)C6[NH2+]CCC6)CCC5)CCC4)CCC3)CCC2)CCC1,
,Family. Representative Entry is ,6EVN,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:306,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,PRO PRO GLY PRO ALA GLY PRO PRO GLY:C:1,valid,,,,,O=C(NCC(=O)N1C(C(=O)N2C(C(=O)NCC(=O)[O-])CCC2)CCC1)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C,
,,6EVM,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO:C:1,valid,,,,,O=C(N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)CCC2)CCC1,
,,6EVP,,,,,,,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,PRO PRO GLY PRO GLU GLY PRO PRO GLY:C:2,valid,,,,,O=C(NCC(=O)N1C(C(=O)N2C(C(=O)NCC(=O)[O-])CCC2)CCC1)C(NC(=O)C1N(C(=O)CNC(=O)C2[NH2+]CCC2)CCC1)CCC(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6EVO,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:303,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,PRO PRO GLY PRO ARG GLY PRO PRO GLY:C:1,valid,,,,,O=C(NCC(=O)N1C(C(=O)N2C(C(=O)NCC(=O)[O-])CCC2)CCC1)C(NC(=O)C1N(C(=O)CNC(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)CCCNC(=[NH2+])N,
1.1.1.95,,,,,,,,,
,Family. Representative Entry is ,5N53,,,,,,,
,,,8NB:A:301,valid,Kd,=,2.8,mM,CC(=O)Nc1ccc(c(c1)Cl)OC,
,,,8NB:B:301,valid,Kd,=,2.8,mM,CC(=O)Nc1ccc(c(c1)Cl)OC,
,,5NZP,,,,,,,
,,,9EW:B:301,valid,Kd,=,6.5,mM,c1ccc2c(c1)c(no2)O,
,,,9EW:A:301,valid,Kd,=,6.5,mM,c1ccc2c(c1)c(no2)O,
,Family. Representative Entry is ,6RJ6,,,,,,,
,,,K5K:A:401,valid,ic50,=,2,nM,Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl,
,,,K5K:B:401,valid,ic50,=,2,nM,Cc1cc2c(cc(n2C)C(=O)N[C@H](CO)c3ccc(cc3)S(=O)(=O)CC(=O)O)c(c1Cl)Cl,
,,6CWA,,,,,,,
,,,3PG:A:1001,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1001,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,NAI:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6RJ2,,,,,,,
,,,K52:B:401,valid,ic50,=,0.1,uM,C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3,
,,,K52:A:402,valid,ic50,=,0.1,uM,C[C@H](c1ccc(cc1)S(=O)(=O)NC(=O)C)NC(=O)c2cc(nn2C)c3ccccc3,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6RIH,,,,,,,
,,,K4T:A:401,valid,Kd,=,105,uM,Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3,
,,,K4T:B:402,valid,Kd,=,105,uM,Cn1c(cc(n1)c2ccccc2)C(=O)NC3CC3,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PLF,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,ONV:B:401,valid,ic50,=,0.238,uM,c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O,
,,,ONV:A:401,valid,ic50,=,0.238,uM,c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O,
,,6RJ3,,,,,,,
,,,K58:A:402,valid,ic50,=,0.4,uM,C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3,
,,,K58:B:402,valid,ic50,=,0.4,uM,C[C@H](c1ccc(cc1)C(=O)O)NC(=O)c2cc(nn2C)c3ccccc3,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6RJ5,,,,,,,
,,,K5N:B:402,valid,ic50,=,0.3,uM,C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3,
,,,K5N:A:402,valid,ic50,=,0.3,uM,C[C@H](c1ccc(cc1)C(=O)NS(=O)(=O)C)NC(=O)c2cc(nn2C)c3ccccc3,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5N6C,,,,,,,
,,,NAD:B:401,valid,Ka,=,22500,M^-1,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:402,valid,Ka,=,22500,M^-1,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,TLA:A:401,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,1SC6,,,,,,,
,,,NAD:A:2101,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2102,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:2103,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:2104,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2P9C,,,,,,,
,,,NAI:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:550,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,SER:A:451,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:A:551,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,5OFW,,,,,,,
,,,9TW:B:401,valid,Kd,=,1.6,mM,c1cc(c(cc1C(=O)N)Cl)F,
,,,9TW:A:401,valid,Kd,=,1.6,mM,c1cc(c(cc1C(=O)N)Cl)F,
,,5OFV,,,,,,,
,,,9TZ:B:401,valid,Kd,=,26.2,mM,Cc1ccc(cc1C(=O)O)F,
,,,9TZ:A:401,valid,Kd,=,26.2,mM,Cc1ccc(cc1C(=O)O)F,
,Family. Representative Entry is ,3DDN,,,,,,,
,,,HPV:B:600,valid,,,,,C(C(=O)C(=O)O)OP(=O)(O)O,
,,,TLA:A:530,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:530,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:531,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
1.1.1.188,,,,,,,,,
,Family. Representative Entry is ,1VBJ,,,,,,,
,,,CIT:A:4001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:4002,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NAP:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:3002,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
2.3.1.16,,,,,,,,,
,Family. Representative Entry is ,4UBT,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:407,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,NA:C:406,invalid,,,,,[Na+],
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,3G6:C:401,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O,
,,,3G6:B:402,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O,
,,,3G6:A:402,valid,,,,,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)O,
,,4UBV,,,,,,,
,,,GOL:B:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:415,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:412,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:413,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:414,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DIO:A:405,invalid,,,,,C1COCCO1,
,,,DIO:B:407,invalid,,,,,C1COCCO1,
,,,DIO:B:406,invalid,,,,,C1COCCO1,
,,,DIO:B:403,invalid,,,,,C1COCCO1,
,,,DIO:A:406,invalid,,,,,C1COCCO1,
,,,DIO:B:404,invalid,,,,,C1COCCO1,
,,,DIO:B:405,invalid,,,,,C1COCCO1,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5LNQ,,,,,,,
,,,CAA:B:501,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:A:501,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,CAA:D:501,valid,,,,,CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3ZBN,,,,,,,
,,,COA:B:1442,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1442,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1442,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,5LOT,,,,,,,
,,,ACO:D:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:501,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6PCD,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,OYA:A:502,valid,,,,,CCCCCCCC=O,
,,,OYA:B:501,valid,,,,,CCCCCCCC=O,
,,,OYA:D:502,valid,,,,,CCCCCCCC=O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:C:503,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,K:C:505,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,6PCC,,,,,,,
,,,O8Y:C:502,valid,,,,,CCCCCC=O,
,,,O8Y:A:1002,valid,,,,,CCCCCC=O,
,,,O8Y:D:502,valid,,,,,CCCCCC=O,
,,,O8Y:B:502,valid,,,,,CCCCCC=O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,COA:A:1001,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:501,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
1.18.1.3,,,,,,,,,
,Family. Representative Entry is ,3FG2,,,,,,,
,,,FAD:P:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:P:500,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4EMI,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:502,valid,Kd,=,41,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3EF6,,,,,,,
,,,FAD:A:449,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:4122,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4123,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4124,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4125,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4126,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4127,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4128,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:4120,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4121,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1KRH,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:A:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:600,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4WQM,,,,,,,
,,,FES:A:401,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,BTB:A:407,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:408,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:A:406,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NI:A:405,Part of Protein,,,,,[Ni+2],
,,,NI:A:404,Part of Protein,,,,,[Ni+2],
,,,NI:A:409,Part of Protein,,,,,[Ni+2],
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
1.22.1.1,,,,,,,,,
,Family. Representative Entry is ,3GB5,,,,,,,
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3GFD,,,,,,,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2,invalid,,,,,C(C(CO)O)O,
,,,IYR:A:302,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,,,IYR:B:302,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,,3TNZ,,,,,,,
,,,FLC:A:303,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:303,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,IYR:A:302,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,,,IYR:B:302,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,Family. Representative Entry is ,5YAK,,,,,,,
,,,YOF:E:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,YOF:D:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,YOF:A:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,YOF:C:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,YOF:F:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,YOF:B:502,valid,Kd,=,1.5,uM,c1cc(c(cc1C[C@@H](C(=O)O)N)F)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4TTB,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
3.2.2.24,,,,,,,,,
,Family. Representative Entry is ,2WOE,,,,,,,
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:400,Part of Protein,,,,,[Mn+2],
,,,MN:C:400,Part of Protein,,,,,[Mn+2],
,,,TLA:A:500,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
6.3.2.-,,,,,,,,,
,Family. Representative Entry is ,5TDC,,,,,,,
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:203,Part of Protein,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,NMM ILE PHE SER:D:1,valid,Kd,=,12.88,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C([NH3+])CCCNC(=N)NC)C(CC)C,
,,,NMM ILE PHE SER:B:1,valid,Kd,=,12.88,uM,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C([NH3+])CCCNC(=N)NC)C(CC)C,
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4KJU,,,,,,,
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,1RH:A:502,valid,ic50,=,0.006,uM,C[C@@H](C(=O)N[C@H]1CN(c2ccccc2N(C1=O)Cc3c4ccccc4ccc3OC)C(=O)c5ccc(cc5)N)NC,
,,4KJV,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,1RK:A:502,valid,ic50,=,0.018,uM,C[C@@H](C(=O)N[C@@H]1C(=O)N(c2ccccc2OC13CCOCC3)Cc4c5ccc(cc5ccc4OC)C(=O)O)NC,
,,4J48,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ALA MET ARG VAL:B:1,valid,Ki,=,2.41,uM,S(CCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)NC(C=O)C(C)C)CCCNC(=[NH2+])N)C,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,4J45,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ALA THR ALA ALA:B:1,valid,Ki,=,1.7,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(O)C)C)C,
,,4J46,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ALA VAL PRO ILE:B:1,valid,Ki,=,5.24,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)C(C)C)CCC1)C(CC)C,
,,4J47,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,SER VAL PRO ILE:B:1,valid,Ki,=,12.02,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])CO)C(C)C)CCC1)C(CC)C,
,,4J44,,,,,,,
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ALA ILE ALA VAL:B:1,valid,Ki,=,1.87,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C(CC)C)C)C(C)C,
,Family. Representative Entry is ,4OAS,,,,,,,
,,,2SW:C:201,valid,Kd,=,0.045,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2SW:E:201,valid,Kd,=,0.045,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2SW:A:201,valid,Kd,=,0.045,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3JZK,,,,,,,
,,,YIN:A:1,valid,ic50,=,1.23,uM,c1ccc2c(c1)C3=C([C@@H](N4C(=N3)NC=N4)c5ccc(cc5)Br)[C@H](O2)c6ccc(cc6)Br,
,,4JV7,,,,,,,
,,,1MN:A:201,valid,ic50,=,1,uM,CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Br)c4ccc(cc4)Br,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4JVR,,,,,,,
,,,1MT:C:201,valid,ic50,=,9.4,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl,
,,,1MT:E:201,valid,ic50,=,9.4,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl,
,,,1MT:A:201,valid,ic50,=,9.4,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NCCN)c4cccc(c4F)Cl,
,,5LN2,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6ZT:A:201,valid,ic50,=,0.13,nM,Cc1cc(ccc1[C@H]2c3c(nn(c3C(C)C)c4ccccc4OC)C(=O)N2c5cc(ccc5OCCN(C)C)Cl)Cl,
,,4ZFI,,,,,,,
,,,4NJ:B:201,valid,Kd,=,0.5,uM,CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl,
,,,4NJ:A:201,valid,Kd,=,0.5,uM,CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl,
,,,4NJ:D:201,valid,Kd,=,0.5,uM,CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl,
,,,4NJ:C:201,valid,Kd,=,0.5,uM,CN1C(=O)C(=C([C@]1(Cc2ccc(cc2)Cl)O)c3c[nH]c4c3ccc(c4)Cl)Cc5ccc(cc5)Cl,
,,4ZYF,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,4T4:A:201,valid,Kd,=,2.3,nM,CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C,
,,4DIJ,,,,,,,
,,,BLF:A:201,valid,ic50,=,0.03,uM,c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl,
,,,BLF:B:201,valid,ic50,=,0.03,uM,c1ccc(cc1)c2c(n(cn2)Cc3ccc(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOCC6)Cl,
,,4ZYI,,,,,,,
,,,4TH:A:201,valid,ic50,=,0.008,uM,CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)Cc5ccncc5,
,,,CL:A:202,invalid,,,,,[Cl-],
,,5HMH,,,,,,,
,,,62R:A:201,valid,ic50,=,0.007,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F,
,,,62R:B:4000,valid,ic50,=,0.007,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCCC(=O)O)Oc5cc(sc5)C(F)(F)F,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q96,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HRE:A:201,valid,ic50,=,0.1,nM,CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl,
,,,HRE:B:201,valid,ic50,=,0.1,nM,CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl,
,,4ERF,,,,,,,
,,,0R3:A:201,valid,Kd,=,0.4,nM,CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0R3:C:201,valid,Kd,=,0.4,nM,CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0R3:E:201,valid,Kd,=,0.4,nM,CC[C@@H]([C@H](C)O)N1[C@@H]([C@H](C[C@](C1=O)(C)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,5OAI,,,,,,,
,,,B5K:A:201,valid,Ki,=,0.1,uM,CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3cc(c(c(c3)F)F)F)C=O,
,,6Q9L,,,,,,,
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,HTZ:A:201,valid,ic50,=,3.9,nM,CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6,
,,,HTZ:B:201,valid,ic50,=,3.9,nM,CN(C)CCCN(C)[C@H]1CCN(C1)C(=O)c2c(c3ccc(cc3[nH]2)Cl)c4c(ncn4Cc5ccc(cc5CO)Cl)c6ccccc6,
,,4ZYC,,,,,,,
,,,4SS:A:202,valid,ic50,=,0.38,uM,CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl,
,,,4SS:B:201,valid,ic50,=,0.38,uM,CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl,
,,,4SS:A:201,valid,ic50,=,0.38,uM,CCOc1cc2c(cc1OCC)[C@@H](N(C(=O)C2)c3ccc(cc3OCc4[nH]nnn4)C)c5ccc(cc5)Cl,
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OCC,,,,,,,
,,,2TZ:A:201,valid,ic50,=,2,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2TZ:E:201,valid,ic50,=,2,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2TZ:C:201,valid,ic50,=,2,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,6Q9O,,,,,,,
,,,HU8:A:201,valid,ic50,=,3.4,nM,CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl,
,,,HU8:B:201,valid,ic50,=,3.4,nM,CC(C)(C)NC(=O)Cc1ccc(cc1n2c(c(nc2C3CCCCC3)c4[nH]nnn4)c5ccc(c(c5)Cl)F)Cl,
,,3LBL,,,,,,,
,,,MI6:A:1,valid,Ki,=,36,nM,CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl,
,,,MI6:C:1,valid,Ki,=,36,nM,CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl,
,,,MI6:E:1,valid,Ki,=,36,nM,CC(C)(C)C[C@@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@@H]([C@@H](N1)C(=O)NCCN4CCOCC4)c5cccc(c5F)Cl,
,,4MDN,,,,,,,
,,,Y30:A:201,valid,Ki,=,0.6,uM,CC(C)(C)NC(=O)[C@@H](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(cc3)OCc4ccc(cc4)Cl)C=O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5OC8,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,9QW:A:201,valid,,,,,CC(C)n1c2c(nc1c3cnc(nc3OC)OC)C(=O)N([C@H]2c4ccc(cc4)Cl)C5=CC(=CN(C5=O)C)Cl,
,,6I3S,,,,,,,
,,,H28:A:201,valid,,,,,c1cc(c(c(c1)Cl)F)[C@H]2[C@H]3[C@H](C=NC3=O)N([C@]24c5ccc(cc5NC4=O)Cl)CC6CC6,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,5HMI,,,,,,,
,,,62T:B:1001,valid,ic50,=,0.015,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F,
,,,62T:A:1001,valid,ic50,=,0.015,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5cc(sc5)C(F)(F)F,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4MDQ,,,,,,,
,,,28W:A:202,valid,Ki,=,1.2,uM,CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3,
,,,28W:A:201,valid,Ki,=,1.2,uM,CC(C)C[C@@H](C(=O)NO)NC(c1c2ccc(cc2[nH]c1C(=O)NO)Cl)C(=O)NCc3ccccc3,
,,4HG7,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NUT:A:201,valid,ic50,=,90,nM,CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC,
,,3W69,,,,,,,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LTZ:B:201,valid,ic50,=,0.058,uM,CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C,
,,,LTZ:A:201,valid,ic50,=,0.058,uM,CC[C@@H]1CC[C@H](N1C(=O)C2=C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)C)C(=O)C,
,,4OQ3,,,,,,,
,,,2V8:B:201,valid,ic50,=,0.008,uM,Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O,
,,,2V8:A:201,valid,ic50,=,0.008,uM,Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O,
,,,2V8:C:201,valid,ic50,=,0.008,uM,Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O,
,,,2V8:D:201,valid,ic50,=,0.008,uM,Cc1cccc(c1)c2nc(c(n2c3cc(ccc3C)Cl)c4cccc(c4)Cl)C(=O)O,
,,4JV9,,,,,,,
,,,1MO:A:201,valid,ic50,=,1.8,uM,CN1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccccc2)c3ccc(cc3)Cl)c4ccc(cc4)Cl,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4QOC,,,,,,,
,,,35T:G:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,,35T:K:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,,35T:I:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,,35T:E:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,,35T:C:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,,35T:A:201,valid,ic50,=,0.12,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)N2CCCC2)C3CC3)c4ccc(cc4)Cl)c5cccc(c5)Cl)CC(=O)O,
,,4OGV,,,,,,,
,,,2U7:B:501,valid,ic50,=,9,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2U7:A:501,valid,ic50,=,9,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,2U7:C:501,valid,ic50,=,9,nM,CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,4ZGK,,,,,,,
,,,4NX:B:201,valid,Kd,=,3.1,uM,c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl,
,,,4NX:A:201,valid,Kd,=,3.1,uM,c1cc(ccc1CC2=C([C@](OC2=O)(Cc3ccc(cc3)Cl)O)c4c[nH]c5c4ccc(c5)Cl)Cl,
,,4OBA,,,,,,,
,,,2TW:B:501,valid,ic50,=,0.4,nM,CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl,
,,,2TW:C:501,valid,ic50,=,0.4,nM,CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl,
,,,2TW:A:501,valid,ic50,=,0.4,nM,CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N2[C@@H]([C@H](O[C@@H](C2=O)CC(=O)O)c3cccc(c3)Cl)c4ccc(cc4)Cl,
,,4JVE,,,,,,,
,,,1MQ:A:201,valid,ic50,=,0.086,uM,C/C=C/[C@H](C(=O)O)N1[C@@H]([C@@H](O[C@H](C1=O)Cc2ccc(cc2)F)c3ccc(cc3)Cl)c4ccc(cc4)Cl,
,,4JWR,,,,,,,
,,,1MY:B:201,valid,ic50,=,0.61,uM,CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,1MY:C:201,valid,ic50,=,0.61,uM,CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,1MY:A:201,valid,ic50,=,0.61,uM,CC[C@@H](CO)N1[C@@H]([C@@H](O[C@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,6GGN,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,EYH:A:201,valid,ic50,=,0.08,nM,Cc1ccc(cc1N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5C)Cl)Cl,
,,4ERE,,,,,,,
,,,0R2:A:201,valid,ic50,=,4.2,nM,CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0R2:B:201,valid,ic50,=,4.2,nM,CC[C@@H](C(=O)OC(C)(C)C)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4QO4,,,,,,,
,,,35S:A:201,valid,ic50,=,0.005,uM,CC[C@@H](c1cccc(n1)C2CC2)N3[C@@H]([C@H](C[C@](C3=O)(C)CC(=O)O)c4cccc(c4)Cl)c5ccc(cc5)Cl,
,,6Q9H,,,,,,,
,,,HRH:A:201,valid,ic50,=,7.8,nM,Cc1cc(ccc1[C@H]2c3c([nH]nc3C(C)C)C(=O)N2c4cccc(c4F)Cl)Cl,
,Family. Representative Entry is ,4LWU,,,,,,,
,,,20U:A:201,valid,ic50,=,0.005,uM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4)C(=O)N)c5cccc(c5F)Cl,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LWV,,,,,,,
,,,20W:C:201,valid,ic50,=,7,nM,CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl,
,,,20W:B:201,valid,ic50,=,7,nM,CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl,
,,,20W:A:201,valid,ic50,=,7,nM,CC(C)(C)C[C@H]1[C@]2(c3c(cc(s3)Cl)NC2=O)[C@H]([C@@H](N1)C(=O)Nc4ccc(cc4OC)C(=O)N)c5cccc(c5F)Cl,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J74,,,,,,,
,,,I18:A:201,valid,Kd,=,26,uM,CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl,
,,,I18:A:202,valid,Kd,=,26,uM,CC1=N[C@H]([C@H](N1)c2ccc(cc2)Cl)c3ccc(cc3)Cl,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4IPF,,,,,,,
,,,1F0:A:201,valid,ic50,=,18,nM,CCOc1cc(ccc1C2=N[C@@]([C@@](N2C(=O)N3CCN(CC3)CCCS(=O)(=O)C)(C)c4ccc(cc4)Cl)(C)c5ccc(cc5)Cl)C(C)(C)C,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J7D,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,I31:A:201,valid,Kd,=,20,uM,CCOc1cc(ccc1C2=N[C@@]([C@@](N2)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl)C(C)(C)C,
,,4J3E,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NUT:A:201,valid,ic50,=,0.088,uM,CC(C)Oc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC,
,,4JSC,,,,,,,
,,,1OY:A:201,valid,ic50,=,74,nM,CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl,
,,,1OY:B:201,valid,ic50,=,74,nM,CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2F)Cl)(C#N)c3ccc(cc3F)Cl,
,,4JRG,,,,,,,
,,,I09:A:201,valid,ic50,=,196,nM,CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl,
,,,I09:B:201,valid,ic50,=,196,nM,CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)NCC[C@@H](CO)O)c2cccc(c2)Cl)(C#N)c3ccc(cc3)Cl,
,,4J7E,,,,,,,
,,,I29:A:201,valid,Kd,=,14,uM,CC1=N[C@@]([C@@](N1C(=O)N2CCN(CC2)CCCS(=O)(=O)C)(C)c3ccc(cc3)Cl)(C)c4ccc(cc4)Cl,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4LWT,,,,,,,
,,,20Q:A:201,valid,ic50,=,3.9,uM,CC(=O)N1CCC[C@@H](C1)[C@]2(c3ccc(cc3NC2=O)Cl)Cc4cccc(c4)Cl,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ECP,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,MET:A:602,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:D:602,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,5ECQ,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,VAL:A:602,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:D:602,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,5ECM,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,LEU:A:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:D:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECK,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ILE:A:601,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:D:601,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,JAA:A:603,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:602,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECH,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ATP:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECI,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,ATP:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECN,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LEU:A:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:D:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECO,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,LEU:A:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,LEU:D:602,valid,,,,,CC(C)C[C@@H](C(=O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,5ECR,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,VAL:A:602,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,,VAL:D:602,valid,,,,,CC(C)[C@@H](C(=O)O)N,
,,5ECL,,,,,,,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,ILE:A:602,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,ILE:D:602,valid,,,,,CC[C@H](C)[C@@H](C(=O)O)N,
,,,MG:D:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:603,invalid,,,,,[Mg+2],
,,,MG:D:604,Part of Protein,,,,,[Mg+2],
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,,,JAA:D:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,Family. Representative Entry is ,4HBM,,,,,,,
,,,0Y7:A:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:B:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:C:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:D:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:E:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:F:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:G:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,,0Y7:H:201,valid,Kd,=,12,nM,CC[C@@H](CO)N1[C@@H]([C@H](C[C@@H](C1=O)CC(=O)O)c2cccc(c2)Cl)c3ccc(cc3)Cl,
,,5J7F,,,,,,,
,,,6GG:A:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:B:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:D:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:C:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,3TU1,,,,,,,
,,,07G:A:1,valid,Ki,=,0.25,uM,CC(C)(C)NC(=O)[C+](c1c2ccc(cc2[nH]c1C(=O)O)Cl)N(Cc3ccc(c(c3)F)F)C=O,
,,2AXI,,,,,,,
,,,MPO:A:201,invalid,,,,,C1COCCN1CCCS(=O)(=O)O,
,,,PRO PHE GLU 6CW LEU ASP TRP GLU PHE DPR:B:20,valid,ic50,=,140,nM,Clc1cc2[nH]cc(CC3C(=O)NC(CC(C)C)C(=O)NC(CC(=O)[O-])C(=O)NC(Cc4c5c([nH]c4)cccc5)C(=O)NC(CCC(=O)[O-])C(=O)NC(Cc4ccccc4)C(=O)N4C(C(=O)[NH+]5C(C(=O)NC(Cc6ccccc6)C(=O)NC(CCC(=O)[O-])C(=O)N3)CCC5)CCC4)c2cc1,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5J7G,,,,,,,
,,,6GG:A:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:B:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:D:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,,6GG:C:201,valid,,,,,c1cc(ccc1Cn2cnc(c2c3c4ccc(cc4[nH]c3C(=O)OCCCCCCNC(=O)CCC(=O)O)Cl)c5ccc(cc5)F)Cl,
,,1T4F,,,,,,,
,,,ARG PHE MET ASP TYR TRP GLU GLY LEU:P:18,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccc(O)cc1)CC(=O)[O-])C,
,,,SO4:M:126,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MTI,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,2DX:B:402,valid,ic50,=,1.2,nM,CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC,
,,,2DX:A:402,valid,ic50,=,1.2,nM,CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC,
,,4MU7,,,,,,,
,,,2DY:B:402,valid,ic50,=,1.4,nM,CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC,
,,,2DY:A:402,valid,ic50,=,1.4,nM,CC[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@@H]3Cc4ccccc4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4LGE,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1Y0:B:402,valid,ic50,=,3.5,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC,
,,,1Y0:A:402,valid,ic50,=,3.5,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3C[C@@H]4C[C@@H]4N3C[C@H]2C(=O)N[C@@H]5CCOc6c5cccc6)NC,
,,4HY4,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1BG:A:402,valid,ic50,=,2.7,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC,
,,,1BG:B:402,valid,ic50,=,2.7,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCCc5c4cccc5)NC,
,,4HY5,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1AQ:A:402,valid,ic50,=,1.3,nM,CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC,
,,,1AQ:B:402,valid,ic50,=,1.3,nM,CCO[C@@H]1C[C@@H]2CN([C@@H](CN2C1)C(=O)N[C@@H]3CCOc4c3cccc4)C(=O)[C@H](C5CCC(CC5)(F)F)NC(=O)[C@H](C)NC,
,,4LGU,,,,,,,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,1YH:B:402,valid,ic50,=,2.1,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC,
,,,1YH:A:402,valid,ic50,=,2.1,nM,C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3CCCN3C[C@H]2C(=O)N[C@@H]4CCOc5c4cccc5)NC,
,Family. Representative Entry is ,5GZZ,,,,,,,
,,,GSH:B:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:E:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:G:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:F:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,JAA:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)O,
,Family. Representative Entry is ,5M6N,,,,,,,
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1001,Part of Protein,,,,,[Zn+2],
,,,7H9:B:1005,valid,,,,,C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C,
,,,7H9:A:1004,valid,,,,,C[C@@H]1CN([C@H](C[NH2+]1)CN2CCOC[C@H]2C)CC(=O)N3CC(c4c3cc(cn4)Cc5ccc(cc5)F)(C)C,
,Family. Representative Entry is ,2PIE,,,,,,,
,,,GLU LEU LYS TPO GLU ARG TYR:F:1,valid,,,,,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(C)C)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1)CCCNC(=[NH2+])N)CCC(=O)[O-])C)([O-])[O-],
,Family. Representative Entry is ,4IFI,,,,,,,
,,,ARG SEP PRO VAL PHE SER:B:5,valid,Kd,=,3.34,uM,P(=O)(OCC(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)Cc2ccccc2)C(C)C)CCC1)([O-])[O-],
,,,ACT:A:1901,invalid,,,,,CC(=O)[O-],
,,1T15,,,,,,,
,,,SER THR SEP PRO THR PHE ASN LYS:B:6,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C([NH3+])CO)C(O)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CC(=O)N)Cc2ccccc2)C(O)C)CCC1)([O-])[O-],
,,4IGK,,,,,,,
,,,ALA CYS SEP PRO GLN PHE GLY:C:4,valid,Kd,=,28.2,uM,SCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NCC=O)Cc2ccccc2)CCC(=O)N)CCC1)COP(=O)([O-])[O-],
,,,ALA CYS SEP PRO GLN PHE GLY:D:5,valid,Kd,=,28.2,uM,SCC(NC(=O)C([NH3+])C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NCC=O)Cc2ccccc2)CCC(=O)N)CCC1)COP(=O)([O-])[O-],
,,,GOL:A:1902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1901,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1902,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1901,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4YC9,,,,,,,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,4C1:A:1104,valid,Kd,=,1.3,nM,CCCOc1cc(cc(c1)Oc2cc3c(cc2NS(=O)(=O)c4ccc(c(c4)OC)OC)N(C(=O)N3C)C)OCCCCN(C)C,
,,5H1V,,,,,,,
,,,7FU:B:1103,valid,Kd,=,34,uM,c1cc2c(cc1C(=O)NN)sc(n2)NN,
,,,7FU:A:1103,valid,Kd,=,34,uM,c1cc2c(cc1C(=O)NN)sc(n2)NN,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,5H1U,,,,,,,
,,,6KT:A:1101,valid,Kd,=,63,uM,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:D:1101,valid,Kd,=,63,uM,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:C:1101,valid,Kd,=,63,uM,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,6KT:B:1101,valid,Kd,=,63,uM,c1cc2c(cc1C(=O)N)sc(n2)N,
,,,ZN:C:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1103,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1103,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1103,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1103,Part of Protein,,,,,[Zn+2],
,,,DMS:D:1104,invalid,,,,,CS(=O)C,
,,,DMS:C:1104,invalid,,,,,CS(=O)C,
,,,DMS:B:1104,invalid,,,,,CS(=O)C,
,,4YBM,,,,,,,
,,,GOL:B:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1106,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:1105,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1104,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4BJ:B:1102,valid,ic50,=,0.14,uM,CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC,
,,,4BJ:B:1101,valid,ic50,=,0.14,uM,CN1c2cc(c(cc2N(C1=O)C)Oc3cccc(c3)OCc4ccccc4)NS(=O)(=O)c5ccc(c(c5)OC)OC,
,,4YAX,,,,,,,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1103,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,SO4:B:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4AE:B:1104,valid,ic50,=,1.5,uM,CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4,
,,,4AE:A:1101,valid,ic50,=,1.5,uM,CN1c2cc(c(cc2N(C1=O)C)Oc3ccc(cc3)OC)NS(=O)(=O)c4ccccc4,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,3O36,,,,,,,
,,,GLY ALA ALY ARG HIS ARG:D:16,valid,,,,,O=C(NC(C=O)CCCCNC(=O)C)C(NC(=O)C[NH3+])C,
,,,GLY ALA ALY ARG HIS ARG:E:14,valid,,,,,O=C(NC(C=O)CCCCNC(=O)C)C(NC(=O)C[NH3+])C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,4YBS,,,,,,,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,4BK:A:1103,valid,ic50,=,0.057,uM,Cc1nc(cn1C)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OCC(C)C)N(C(=O)N3C)C,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,3O37,,,,,,,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:G:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:H:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1,Part of Protein,,,,,[Zn+2],
,,,ZN:C:2,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1,Part of Protein,,,,,[Zn+2],
,,,ZN:D:2,Part of Protein,,,,,[Zn+2],
,,3O35,,,,,,,
,,,LYS ALA ALA ARG ALY SER ALA PRO ALA:D:27,valid,,,,,O=C(NCCCCC([NH3+])C=O)C,
,,,LYS ALA ALA ARG ALY SER ALA PRO ALA:E:25,valid,,,,,O=C(NCCCCC([NH3+])C=O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,4YAT,,,,,,,
,,,4A8:A:1103,valid,ic50,=,9.3,uM,CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC,
,,,4A8:B:1103,valid,ic50,=,9.3,uM,CN1c2ccc(cc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3)OC,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,4YAB,,,,,,,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,4CN:B:1103,valid,ic50,=,8.5,uM,Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C,
,,,4CN:A:1103,valid,ic50,=,8.5,uM,Cc1nc(cs1)c2ccc3c(c2)CC(=O)N3C,
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4YBT,,,,,,,
,,,4BV:A:1104,valid,ic50,=,0.1,uM,Cn1cc(nc1)S(=O)(=O)Nc2cc3c(cc2Oc4cccc(c4)OC[C@H]5CCOC5)N(C(=O)N3C)C,
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,DMS:A:1103,invalid,,,,,CS(=O)C,
,,4YAD,,,,,,,
,,,GOL:B:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,CL:B:1105,invalid,,,,,[Cl-],
,,,CL:A:1105,invalid,,,,,[Cl-],
,,,4A7:B:1103,valid,ic50,=,2.5,uM,CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC,
,,,4A7:A:1103,valid,ic50,=,2.5,uM,CN1c2ccc(cc2CCC1=O)NS(=O)(=O)c3ccc(cc3OC)OC,
,,5H1T,,,,,,,
,,,ZN:C:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1101,Part of Protein,,,,,[Zn+2],
,,,7FF:B:1103,valid,Kd,=,0.16,mM,COC(=O)N1CCCc2c1ccc(c2)N,
,,,7FF:A:1103,valid,Kd,=,0.16,mM,COC(=O)N1CCCc2c1ccc(c2)N,
,,,7FF:C:1103,valid,Kd,=,0.16,mM,COC(=O)N1CCCc2c1ccc(c2)N,
,,,7FF:D:1103,valid,Kd,=,0.16,mM,COC(=O)N1CCCc2c1ccc(c2)N,
,,,DMS:A:1104,invalid,,,,,CS(=O)C,
,,,DMS:B:1104,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,5ZCT,,,,,,,
,,,SO4:H:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:H:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:G:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,invalid,,,,,[Mg+2],
,,,MG:G:402,invalid,,,,,[Mg+2],
,,,MG:H:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,invalid,,,,,[Mg+2],
,,,MG:E:403,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1MDB,,,,,,,
,,,AMP DBH:A:600,valid,,,,,P(=O)(OC(O)c1c(O)c(O)ccc1)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,SO4:A:997,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:999,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5AXI,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,ASP GLY PTR MET PRO:E:1,valid,ic50,=,120,uM,S(CCC(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N1C(C(=O)[O-])CCC1)C,
,Family. Representative Entry is ,3SOU,,,,,,,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS:D:1,valid,Kd,=,2.5,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS:E:1,valid,Kd,=,2.5,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,3SOW,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:C:1,valid,Kd,=,7.3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:D:1,valid,Kd,=,7.3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:7,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:5,Part of Protein,,,,,[Zn+2],
,,,ZN:B:6,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8,Part of Protein,,,,,[Zn+2],
,,3ZVY,,,,,,,
,,,ALA ARG THR LYS GLN THR ALA ARG:C:1,valid,Kd,=,7.9,uM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG:D:1,valid,Kd,=,7.9,uM,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,CL:B:1370,invalid,,,,,[Cl-],
,,,CL:B:1371,invalid,,,,,[Cl-],
,,,TRS:A:1369,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:1372,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,ZN:A:1365,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1366,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1368,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1366,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1367,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1368,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1369,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4EPL,,,,,,,
,,,JAI:A:601,valid,,,,,CC/C=CC[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)O,
,Family. Representative Entry is ,5KOD,,,,,,,
,,,IAC:C:702,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:A:702,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:D:702,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IAC:B:702,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,AMP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5TDB,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,DA2 ILE PHE SER:B:1,valid,Kd,=,1.45,uM,O=C(NC(C=O)C(CC)C)C([NH3+])CCCN=C(N(C)C)N,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,3NY3,,,,,,,
,,,ARG ILE PHE SER:B:1,valid,Ka,=,51900,M^-1,O=C(NC(C(=O)NC(C=O)CO)Cc1ccccc1)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)C(CC)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,5TDA,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ARG LEU TRP SER:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)Cc1c2c([nH]c1)cccc2)CO,
,,5TDD,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,HIS ILE PHE SER:B:1,valid,Kd,=,34,uM,O=C(NC(C(=O)NC(C=O)C)Cc1ccccc1)C(NC(=O)C([NH3+])Cc1nc[nH]c1)C(CC)C,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2VSL,,,,,,,
,,,15P:A:1346,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,MAA LYS PRO PHE:B:1,valid,Ki,=,4,nM,O=C(NC(C(=O)N1C(C(=O)NC(C=O)Cc2ccccc2)CCC1)CCCC[NH3+])C([NH2+]C)C,
,,,ZN:A:1347,Part of Protein,,,,,[Zn+2],
,,3HL5,,,,,,,
,,,9JZ:A:1,valid,,,,,C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC,
,,,9JZ:B:1,valid,,,,,C[C@H]1CCN([C@@H]1C(=O)Nc2ccccc2c3ncccn3)C(=O)[C@H](C4CCCCC4)NC(=O)[C@H](C)NC,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3V3L,,,,,,,
,,,V3L:A:1,valid,Kd,~,370,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,,V3L:B:1,valid,Kd,~,370,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5F6U,,,,,,,
,,,5VK:A:201,valid,ic50,=,3,mM,CCOC(=O)CCc1ccc(c(c1)O)c2ccccc2O,
,,5F6W,,,,,,,
,,,5VL:A:201,valid,ic50,=,5.8,mM,c1ccc(c(c1)c2ccccc2O)O,
,,5F6X,,,,,,,
,,,5VM:A:201,valid,,,,,c1cc2c(cc1Cl)NC(=S)O2,
,,5F6D,,,,,,,
,,,5VJ:A:201,valid,,,,,c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2,
,,5F6V,,,,,,,
,,,5VL:A:201,valid,ic50,=,5.8,mM,c1ccc(c(c1)c2ccccc2O)O,
,,5F6Y,,,,,,,
,,,5VM:A:201,valid,,,,,c1cc2c(cc1Cl)NC(=S)O2,
,Family. Representative Entry is ,6E1Q,,,,,,,
,,,CFA:A:602,valid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)O,
,,,CFA:A:603,valid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)O,
,,,PO4:A:601,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2ART,,,,,,,
,,,LPA AMP:A:301,valid,,,,,P(=O)(OC(=O)CCCCC1SSCC1)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,2ARU,,,,,,,
,,,ATP:A:1065,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,2C8M,,,,,,,
,,,LPA:A:900,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
,,,LPA:B:900,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
,,,LPA:C:900,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
,,,LPA:D:900,valid,,,,,C1CSS[C@@H]1CCCCC(=O)O,
,Family. Representative Entry is ,2PHN,,,,,,,
,,,ACT:A:3001,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3002,invalid,,,,,CC(=O)[O-],
,,,ACT:A:3003,invalid,,,,,CC(=O)[O-],
,,,ACT:B:3001,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,GDP:A:2696,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:2697,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:4001,invalid,,,,,C(C(CO)O)O,
,,,MN:A:2001,Part of Protein,,,,,[Mn+2],
,,,MN:A:2002,Part of Protein,,,,,[Mn+2],
,,,MN:B:2001,Part of Protein,,,,,[Mn+2],
,,,MN:B:2002,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4WT2,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3UD:A:201,valid,Kd,=,38,pM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)CC(=O)Nc5ccc(c(c5)OC)C(=O)O,
,,2GV2,,,,,,,
,,,ACE PHE MET AIB PM3 6CW GLU 1AC LEU:B:1,valid,ic50,=,5,nM,Clc1cc2[nH]cc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc3ccccc3)CCSC)(C)C)Cc3ccc(CP(=O)([O-])[O-])cc3)C(=O)NC(C(=O)NC3(C(=O)NC(C(=O)[O-])CC(C)C)CC3)CCC(=O)[O-])c2cc1,
,,5HMK,,,,,,,
,,,62Q:B:1001,valid,ic50,=,0.04,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F,
,,,62Q:A:1001,valid,ic50,=,0.04,uM,CCC[C@@H]1[C@@](CCCN1C(=O)c2cnccc2C(F)(F)F)(C(=O)N3CCN(CC3)c4ccccc4OCCO)Oc5ccc(cc5)C(F)(F)F,
,,5TRF,,,,,,,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,7HC:B:201,valid,Ki,=,0.88,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl,
,,,7HC:C:201,valid,Ki,=,0.88,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl,
,,,7HC:D:201,valid,Ki,=,0.88,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl,
,,,7HC:E:201,valid,Ki,=,0.88,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl,
,,,7HC:A:201,valid,Ki,=,0.88,nM,CC(C)(C)C[C@H]1[C@]2(c3ccc(cc3NC2=O)Cl)[C@H]([C@@H](N1)C(=O)NC4CCC(CC4)O)c5cccc(c5F)Cl,
,,4OGT,,,,,,,
,,,2U6:A:201,valid,ic50,=,0.1,nM,C[C@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1RV1,,,,,,,
,,,IMZ:A:110,valid,ic50,=,0.14,uM,CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC,
,,,IMZ:A:111,valid,ic50,=,0.14,uM,CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC,
,,,IMZ:B:110,valid,ic50,=,0.14,uM,CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC,
,,,IMZ:B:111,valid,ic50,=,0.14,uM,CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC,
,,,IMZ:C:110,valid,ic50,=,0.14,uM,CCOc1cc(ccc1C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCO)c4ccc(cc4)Br)c5ccc(cc5)Br)OC,
,Family. Representative Entry is ,2XOC,,,,,,,
,,,ADE:B:1664,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:1665,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADP:A:1665,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PGE:A:1664,invalid,,,,,C(COCCOCCO)O,
,,,ZN:A:991,Part of Protein,,,,,[Zn+2],
,,,ZN:A:992,Part of Protein,,,,,[Zn+2],
,,,ZN:A:993,Part of Protein,,,,,[Zn+2],
,,,ZN:A:994,Part of Protein,,,,,[Zn+2],
,,,ZN:A:995,Part of Protein,,,,,[Zn+2],
,,,ZN:B:991,Part of Protein,,,,,[Zn+2],
,,,ZN:B:992,Part of Protein,,,,,[Zn+2],
,,,ZN:B:993,Part of Protein,,,,,[Zn+2],
,,,ZN:B:994,Part of Protein,,,,,[Zn+2],
,,,ZN:B:995,Part of Protein,,,,,[Zn+2],
,,2XOZ,,,,,,,
,,,AMP:B:1664,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1665,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:A:991,Part of Protein,,,,,[Zn+2],
,,,ZN:A:992,Part of Protein,,,,,[Zn+2],
,,,ZN:A:993,Part of Protein,,,,,[Zn+2],
,,,ZN:A:994,Part of Protein,,,,,[Zn+2],
,,,ZN:A:995,Part of Protein,,,,,[Zn+2],
,,,ZN:B:991,Part of Protein,,,,,[Zn+2],
,,,ZN:B:992,Part of Protein,,,,,[Zn+2],
,,,ZN:B:993,Part of Protein,,,,,[Zn+2],
,,,ZN:B:994,Part of Protein,,,,,[Zn+2],
,,,ZN:B:995,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3CM2,,,,,,,
,,,X23:A:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:B:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:C:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:D:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:E:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:F:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:G:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:H:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:I:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,X23:J:600,valid,Ki,=,340,nM,CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CN)N,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:C:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:F:502,Part of Protein,,,,,[Zn+2],
,,,ZN:G:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:I:502,Part of Protein,,,,,[Zn+2],
,,,ZN:J:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EPL,,,,,,,
,,,5R0 PHE ALA LEU ELY 5R5:C:0,valid,Kd,=,0.094,uM,O=C(OC)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1)C)CC(C)C)CCCC[NH+](CC)CC)CO,
,,,5R0 PHE ALA LEU ELY 5R5:D:0,valid,Kd,=,0.094,uM,O=C(OC)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1)C)CC(C)C)CCCC[NH+](CC)CC)CO,
,,,UNX:A:103,invalid,,,,,*,
,,,UNX:B:105,invalid,,,,,*,
,,,UNX:A:102,invalid,,,,,*,
,,,UNX:B:103,invalid,,,,,*,
,,,UNX:B:104,invalid,,,,,*,
,,,UNX:B:102,invalid,,,,,*,
,,,UNX:B:101,invalid,,,,,*,
,,,UNX:A:101,invalid,,,,,*,
,Family. Representative Entry is ,3VPD,,,,,,,
,,,BUA:A:302,valid,,,,,CCCC(=O)O,
,,,BUA:B:302,valid,,,,,CCCC(=O)O,
,,,CIT:A:303,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4WVS,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:501,invalid,,,,,[Zn+2],
,,,MAA LPH PRO PHE 4LZ:B:1,valid,ic50,=,0.54,uM,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH2+]C)C)C=C=C)CCC1)Cc1ccccc1)Cc1ccc(OCC[N-][N+]#N)cc1,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4WVU,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:301,invalid,,,,,[Zn+2],
,,,MAA VAL 3V8 PHE HOX:B:1,valid,ic50,=,1.97,uM,O=C(NC(C(=O)N1C2C(=O)NC(Cc3ccccc3)C(=O)NC(C(=O)[O-])Cc3ccc(NC(=O)CCc4nnn(c4)C(C1)C2)cc3)C(C)C)C([NH2+]C)C,
,,4WVT,,,,,,,
,,,MAA PHE PRO PHE PHE 3V7:D:1,valid,ic50,=,4.87,uM,O=C(NC1C(=O)N2C(C(=O)NC(Cc3ccccc3)C(=O)NC(C(=O)[O-])Cc3ccc(OCCCn4nnc(c4)COc4ccc(cc4)C1)cc3)CCC2)C([NH2+]C)C,
,,,MAA PHE PRO PHE PHE 3V7:C:1,valid,ic50,=,4.87,uM,O=C(NC1C(=O)N2C(C(=O)NC(Cc3ccccc3)C(=O)NC(C(=O)[O-])Cc3ccc(OCCCn4nnc(c4)COc4ccc(cc4)C1)cc3)CCC2)C([NH2+]C)C,
,,,ZN:A:301,invalid,,,,,[Zn+2],
,,,ZN:B:301,invalid,,,,,[Zn+2],
,Family. Representative Entry is ,4OGN,,,,,,,
,,,2U5:A:201,valid,ic50,=,0.1,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(cc3)Cl)c4cccc(c4)Cl)Cc5ccc(cn5)C(=O)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ODF,,,,,,,
,,,2U1:A:201,valid,ic50,=,0.1,nM,C[C@@]1(C(=O)N([C@@H]([C@H](O1)c2cccc(c2)Cl)c3ccc(cc3)Cl)[C@H](CS(=O)(=O)C(C)(C)C)C4CC4)Cc5ccc(cn5)C(=O)O,
,,4ODE,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2U0:A:201,valid,ic50,=,0.1,nM,C[C@@]1(C[C@@H]([C@H](N(C1=O)[C@H](CS(=O)(=O)C(C)(C)C)C2CC2)c3ccc(c(c3)F)Cl)c4cccc(c4)Cl)Cc5ncc(s5)CC(=O)O,
,Family. Representative Entry is ,5C83,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,4YN:A:402,valid,ic50,=,0.16,uM,C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cc4ccccc4)(C)C,
,,5C7A,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,4YE:A:402,valid,,,,,C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cccc3,
,,5C3K,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,4XF:A:402,valid,ic50,=,110,uM,C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+],
,,5C7D,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,4YF:A:402,valid,ic50,=,7.7,uM,C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CCc3c2cc(nc3)Cl,
,,5C84,,,,,,,
,,,4YL:A:402,valid,ic50,=,0.64,uM,C[C@@H]1CN([C@H](C[NH2+]1)COC)CC(=O)N2CC(c3c2cc(nc3)Cl)(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,5C0K,,,,,,,
,,,4WK:A:404,valid,ic50,=,1200,uM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)[NH3+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,5C7C,,,,,,,
,,,4YC:A:402,valid,ic50,=,5.5,uM,C[C@@H]1CN(CC[NH2+]1)CC(=O)N2CC(c3c2cc(cc3)Cl)(C)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6NSV,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,1PE 1PE:A:203,invalid,,,,,,
,,,ACE LEU TRP TRP PRO ASP:C:636,valid,,,,,,
,,,ACE LEU TRP TRP PRO ASP:D:636,valid,,,,,,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,3Q49,,,,,,,
,,,GLY PRO THR ILE GLU GLU VAL ASP:C:635,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,,3Q4A,,,,,,,
,,,SER PRO HIS ASN PRO ILE SER SEP VAL SEP:C:460,valid,,,,,,
,,3Q47,,,,,,,
,,,SER PRO HIS ASN PRO ILE SER ASP VAL ASP:C:459,valid,,,,,,
,,6EFK,,,,,,,
,,,ACE ILE GLU GLU VAL ASP:D:636,valid,,,,,,
,,,ACE ILE GLU GLU VAL ASP:C:636,valid,,,,,,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4QPL,,,,,,,
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,V3L:A:201,valid,Kd,=,39,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,,,V3L:C:201,valid,Kd,=,39,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4EQL,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SAL:A:602,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:602,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,6OMS,,,,,,,
,,,ISJ:B:602,valid,,,,,C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4EPM,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EQ4,,,,,,,
,,,AMP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SAL:A:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,4B0T,,,,,,,
,,,ADP:A:1478,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1479,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1479,Part of Protein,,,,,[Mg+2],
,,,MG:B:1480,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5CLL,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,GDP BEF:A:200,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,GDP BEF:C:200,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,Family. Representative Entry is ,4P0A,,,,,,,
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:D:803,valid,Kd,=,30.3,uM,,
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:B:803,valid,Kd,=,30.3,uM,,
,Family. Representative Entry is ,7DK8,,,,,,,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
2.4.1.26,,,,,,,,,
,Family. Representative Entry is ,1XV5,,,,,,,
,,,CL:A:1401,invalid,,,,,[Cl-],
,,,EDO:A:1403,invalid,,,,,C(CO)O,
,,,EDO:A:1404,invalid,,,,,C(CO)O,
,,,EDO:A:1405,invalid,,,,,C(CO)O,
,,,GOL:A:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2003,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:1402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
4.5.-.-,,,,,,,,,
,Family. Representative Entry is ,1ZMT,,,,,,,
,,,RNO:A:1002,valid,,,,,c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-],
,,,RNO:B:1001,valid,,,,,c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-],
,,,RNO:C:1003,valid,,,,,c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-],
,,,RNO:D:1004,valid,,,,,c1cc(ccc1[C@@H]2CO2)[N+](=O)[O-],
,,1PX0,,,,,,,
,,,RPN:A:1001,valid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,,RPN:B:1002,valid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,,RPN:C:1003,valid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,,RPN:D:1004,valid,,,,,c1cc(ccc1[C@H](CN=[N+]=[N-])O)[N+](=O)[O-],
,,1PWZ,,,,,,,
,,,CL:A:255,invalid,,,,,[Cl-],
,,,CL:B:255,invalid,,,,,[Cl-],
,,,RSO:A:256,valid,,,,,c1ccc(cc1)[C@@H]2CO2,
,,,RSO:B:256,valid,,,,,c1ccc(cc1)[C@@H]2CO2,
,,1ZO8,,,,,,,
,,,SNO:A:5002,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:B:5001,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:C:5003,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:D:5004,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:E:5006,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:F:5005,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:G:5007,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:H:5008,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:I:5010,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:J:5009,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:K:5011,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:L:5012,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:M:5014,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:N:5013,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:O:5016,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
,,,SNO:P:5015,valid,,,,,c1cc(ccc1[C@H]2CO2)[N+](=O)[O-],
1.1.1.195,,,,,,,,,
,Family. Representative Entry is ,5VKT,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,NAP:A:405,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,MLT:A:406,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1YQD,,,,,,,
,,,DTT:A:700,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:800,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:B:900,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4000,Part of Protein,,,,,[Zn+2],
,,1YQX,,,,,,,
,,,NAP:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4000,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3TWO,,,,,,,
,,,NDP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ZN:A:349,Part of Protein,,,,,[Zn+2],
,,,ZN:A:350,Part of Protein,,,,,[Zn+2],
,,,ZN:B:349,Part of Protein,,,,,[Zn+2],
,,,ZN:B:350,Part of Protein,,,,,[Zn+2],
4.5.1.-,,,,,,,,,
,Family. Representative Entry is ,4IXW,,,,,,,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,IXW:B:302,valid,,,,,CCOC(=O)C[C@H]1CO1,
,,,IXW:A:302,valid,,,,,CCOC(=O)C[C@H]1CO1,
,,4IXT,,,,,,,
,,,1H1:A:301,valid,,,,,CCOC(=O)C[C@@H](CC#N)O,
,,,CL:B:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3A76,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:500,invalid,,,,,C(C(CO)O)O,
,,,SPD:A:300,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:301,valid,,,,,C(CCNCCCN)CN,
,,,SPD:C:302,valid,,,,,C(CCNCCCN)CN,
5.4.2.12,,,,,,,,,
,Family. Representative Entry is ,4NWJ,,,,,,,
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,3PG:A:603,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,4NWX,,,,,,,
,,,DTT:A:604,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MN:A:602,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,2PG:A:601,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
5.3.1.1,,,,,,,,,
,Family. Representative Entry is ,1TRD,,,,,,,
,,,PGH:B:300,valid,Ki,=,4,uM,C(C(=O)NO)OP(=O)(O)O,
,,1IIH,,,,,,,
,,,3PG:B:600,valid,Ki,=,1.3,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,2X1T,,,,,,,
,,,RES:B:1251,valid,,,,,C([C@H]([C@H](C(=O)NO)O)O)OP(=O)(O)O,
,,5I3K,,,,,,,
,,,PGA:B:301,valid,Ki,=,12,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:301,valid,Ki,=,12,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:301,valid,Ki,=,12,uM,C(C(=O)O)OP(=O)(O)O,
,,,NA:C:302,invalid,,,,,[Na+],
,,,NA:A:302,invalid,,,,,[Na+],
,,,NA:A:301,invalid,,,,,[Na+],
,,2VEL,,,,,,,
,,,CL:A:1251,invalid,,,,,[Cl-],
,,,CL:B:1251,invalid,,,,,[Cl-],
,,,PGA:A:1252,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:1252,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,5I3I,,,,,,,
,,,PGA:B:301,valid,Ki,=,2.6,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:301,valid,Ki,=,2.6,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:A:301,valid,Ki,=,2.6,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:301,valid,Ki,=,2.6,mM,C(C(=O)O)OP(=O)(O)O,
,,2V2C,,,,,,,
,,,PGA:A:1254,valid,Ki,=,0.39,mM,C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VEN,,,,,,,
,,,CIT:B:1251,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5I3H,,,,,,,
,,,PGA:B:301,valid,Ki,=,120,uM,C(C(=O)O)OP(=O)(O)O,
,,,K:A:302,invalid,,,,,[K+],
,,,K:A:301,invalid,,,,,[K+],
,,2X1S,,,,,,,
,,,SO4:A:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X1S:A:1251,valid,,,,,C(CS(=O)(=O)O)C(=O)O,
,,,X1S:B:1252,valid,,,,,C(CS(=O)(=O)O)C(=O)O,
,,1KV5,,,,,,,
,,,DTT:A:3450,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:A:4500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4502,invalid,,,,,C(C(CO)O)O,
,,,PGA:A:1350,valid,Ki,=,60,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:2350,valid,Ki,=,60,uM,C(C(=O)O)OP(=O)(O)O,
,,,SO4:B:5600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4TIM,,,,,,,
,,,2PG:B:300,valid,Ki,=,6.9,mM,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,1TTJ,,,,,,,
,,,PGH:A:600,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,6TIM,,,,,,,
,,,G3P:B:300,valid,Ki,=,0.61,mM,C([C@H](COP(=O)(O)O)O)O,
,,2VEK,,,,,,,
,,,ASF:B:1253,valid,,,,,CCCCS(=O)(=O)CCC(=O)O,
,,,CIT:A:1251,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1251,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,TBU:B:1252,invalid,,,,,CC(C)(C)O,
,,2V2H,,,,,,,
,,,CL:A:1252,invalid,,,,,[Cl-],
,,,CL:B:1252,invalid,,,,,[Cl-],
,,,CL:C:1252,invalid,,,,,[Cl-],
,,,PGA:A:1251,valid,Ki,=,0.17,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:1251,valid,Ki,=,0.17,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:1251,valid,Ki,=,0.17,mM,C(C(=O)O)OP(=O)(O)O,
,,2J27,,,,,,,
,,,PGA:A:701,valid,Ki,=,0.3,mM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:702,valid,Ki,=,0.3,mM,C(C(=O)O)OP(=O)(O)O,
,,,SO4:B:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4PC8,,,,,,,
,,,GOA:A:301,valid,,,,,C(C(=O)O)O,
,,2X1R,,,,,,,
,,,SO4:A:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1251,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,X1R:A:1252,valid,,,,,CCCS(=O)(=O)CCC(=O)O,
,,,X1R:B:1253,valid,,,,,CCCS(=O)(=O)CCC(=O)O,
,,2X2G,,,,,,,
,,,3PG:B:1251,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,1TTI,,,,,,,
,,,PGA:A:600,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6UPF,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,PGA:B:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:A:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,6UP5,,,,,,,
,,,IPA:A:303,invalid,,,,,CC(C)O,
,,,IPA:A:304,invalid,,,,,CC(C)O,
,,,IPA:B:303,invalid,,,,,CC(C)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,PGA:B:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2YPI,,,,,,,
,,,PGA:A:249,valid,Ki,=,15,uM,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:249,valid,Ki,=,15,uM,C(C(=O)O)OP(=O)(O)O,
,,1NF0,,,,,,,
,,,13P:A:5001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:1150,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,7TIM,,,,,,,
,,,PGH:A:249,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:249,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,1NEY,,,,,,,
,,,13P:A:5001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:B:6001,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2BTM,,,,,,,
,,,PGA:A:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:302,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5EYW,,,,,,,
,,,PGA:B:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:A:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6NEE,,,,,,,
,,,PGH:B:301,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:A:301,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,Family. Representative Entry is ,4YMZ,,,,,,,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,13P:B:301,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,13P:A:301,valid,,,,,C(C(=O)COP(=O)(O)O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3UWV,,,,,,,
,,,2PG:A:254,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,2PG:B:255,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,NA:A:255,Part of Protein,,,,,[Na+],
,,,NA:A:256,Part of Protein,,,,,[Na+],
,,,NA:B:254,Part of Protein,,,,,[Na+],
,,3UWW,,,,,,,
,,,3PG:A:254,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:255,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,DTT:A:255,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,NA:B:254,Part of Protein,,,,,[Na+],
,,3UWZ,,,,,,,
,,,G2H:A:254,valid,,,,,C(C(CO)OP(=O)(O)O)O,
,,,G2H:B:254,valid,,,,,C(C(CO)OP(=O)(O)O)O,
,,,PO4:B:255,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3M9Y,,,,,,,
,,,CIT:B:256,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NA:B:254,Part of Protein,,,,,[Na+],
,,,NA:B:255,Part of Protein,,,,,[Na+],
,,3UWU,,,,,,,
,,,CIT:A:255,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,G3P:A:254,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:254,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,Family. Representative Entry is ,1LYX,,,,,,,
,,,PGA:A:401,valid,Ki,=,0.029,mM,C(C(=O)O)OP(=O)(O)O,
,,1O5X,,,,,,,
,,,2PG:B:4400,valid,,,,,C([C@H](C(=O)O)OP(=O)(O)O)O,
,,,3PY:A:3300,valid,,,,,C(C(=O)C(=O)O)O,
,,,PO3:A:6000,invalid,,,,,[O-][P-](=O)[O-],
,,2VFH,,,,,,,
,,,3PG:A:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,1M7O,,,,,,,
,,,3PG:A:5401,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:6401,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,2VFE,,,,,,,
,,,3PG:A:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,GOL:A:1250,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1250,invalid,,,,,C(C(CO)O)O,
,,2VFI,,,,,,,
,,,3PG:A:1249,valid,Ki,=,1.9,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:A:1250,valid,Ki,=,1.9,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1249,valid,Ki,=,1.9,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1250,valid,Ki,=,1.9,mM,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,1M7P,,,,,,,
,,,G3H:A:5401,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:B:6401,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,3PVF,,,,,,,
,,,PGA:A:249,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,2VFG,,,,,,,
,,,3PG:A:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:B:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:C:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:D:1249,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3TAO,,,,,,,
,,,PGH:A:268,valid,Kd,=,7.28,uM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:A:269,valid,Kd,=,7.28,uM,C(C(=O)NO)OP(=O)(O)O,
,Family. Representative Entry is ,1SUX,,,,,,,
,,,BTS:B:401,valid,,,,,c1ccc2c(c1)nc(s2)SCCCS(=O)(=O)O,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SW0,,,,,,,
,,,PGA:A:350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:1350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,1TPW,,,,,,,
,,,PGH:A:250,valid,Ki,=,0.5,mM,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:250,valid,Ki,=,0.5,mM,C(C(=O)NO)OP(=O)(O)O,
,,1SW3,,,,,,,
,,,PGA:A:350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:1350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,1TPB,,,,,,,
,,,PGH:1:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:2:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,1TPH,,,,,,,
,,,PGH:1:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:2:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,1TPU,,,,,,,
,,,PGH:A:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,1TPV,,,,,,,
,,,PGH:A:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:B:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,1SW7,,,,,,,
,,,PGA:A:1350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:2350,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,1TPC,,,,,,,
,,,PGH:1:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,,PGH:2:250,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,Family. Representative Entry is ,5CSS,,,,,,,
,,,G3P:C:301,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:301,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:D:301,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:A:301,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1QDS,,,,,,,
,,,PGA:A:350,valid,Ki,=,0.048,mM,C(C(=O)O)OP(=O)(O)O,
,,2VXN,,,,,,,
,,,ACT:A:1258,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1255,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1256,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1257,invalid,,,,,C(C(CO)O)O,
,,,PGA:A:1252,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGH:A:1251,valid,,,,,C(C(=O)NO)OP(=O)(O)O,
,,2Y62,,,,,,,
,,,1GP:A:2251,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,G3P:A:2250,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,GOL:A:2252,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2253,invalid,,,,,C(C(CO)O)O,
,,1AMK,,,,,,,
,,,PGA:A:600,valid,Ki,=,0.05,mM,C(C(=O)O)OP(=O)(O)O,
,,2Y61,,,,,,,
,,,1GP:A:2250,valid,,,,,C([C@@H](COP(=O)(O)O)O)O,
,,,G3P:A:2251,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,GOL:A:2252,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2253,invalid,,,,,C(C(CO)O)O,
,,1N55,,,,,,,
,,,ACY:A:700,invalid,,,,,CC(=O)O,
,,,ACY:A:701,invalid,,,,,CC(=O)O,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,PGA:A:650,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,1IF2,,,,,,,
,,,129:A:600,valid,,,,,C(CP(=O)(O)O)N(C=O)O,
,Family. Representative Entry is ,6OOI,,,,,,,
,,,PGA:F:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:A:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:D:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:H:302,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:E:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:G:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:C:302,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:H:303,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:C:304,Part of Protein,,,,,[Na+],
,,,NA:E:302,Part of Protein,,,,,[Na+],
,,,NA:C:305,Part of Protein,,,,,[Na+],
,,,NA:E:303,Part of Protein,,,,,[Na+],
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:G:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:F:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6BVE,,,,,,,
,,,PGA:A:302,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,PGA:B:302,valid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,NA:B:301,Part of Protein,,,,,[Na+],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4BI7,,,,,,,
,,,PGA:A:401,valid,Kd,=,26.4,uM,C(C(=O)O)OP(=O)(O)O,
,,,SO4:A:1258,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4BI6,,,,,,,
,,,PGA:A:401,valid,Kd,=,113.3,uM,C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6OOG,,,,,,,
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,PGA:A:301,valid,,,,,C(C(=O)O)OP(=O)(O)O,
1.1.1.233,,,,,,,,,
,Family. Representative Entry is ,4CR6,,,,,,,
,,,MAN:A:1272,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:1272,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,4CR8,,,,,,,
,,,NAD:F:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:G:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:1272,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4CR7,,,,,,,
,,,BM3:D:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:I:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:F:1275,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:C:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:L:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:O:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:E:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:G:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:J:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:B:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:H:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:K:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:P:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:M:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:A:1273,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:N:1272,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,PG4:H:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:1276,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:K:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:P:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:1277,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:G:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:1274,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:I:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:E:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:J:1272,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:F:1273,invalid,,,,,C(COCCOCCOCCO)O,
,,,MAN:N:1273,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:M:1273,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:D:1273,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:P:1274,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
1.17.4.2,,,,,,,,,
,Family. Representative Entry is ,1HK8,,,,,,,
,,,DGT:A:1588,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:1587,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MN:A:1590,invalid,,,,,[Mn+2],
,,,ZN:A:1589,Part of Protein,,,,,[Zn+2],
,,1H78,,,,,,,
,,,DCP:A:1588,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,DCP:A:1589,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,MG:A:1590,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4COL,,,,,,,
,,,DTP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,SFO:B:1633,invalid,,,,,O[SH](=O)O,
,,,SFO:A:1631,invalid,,,,,O[SH](=O)O,
,,,ZN:A:700,Part of Protein,,,,,[Zn+2],
,,,ZN:B:700,Part of Protein,,,,,[Zn+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:701,Part of Protein,,,,,[Mg+2],
,,4CON,,,,,,,
,,,CIT:A:1589,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1590,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4COJ,,,,,,,
,,,ZN:A:652,Part of Protein,,,,,[Zn+2],
,,,ZN:B:652,Part of Protein,,,,,[Zn+2],
,,,DTP:B:654,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:A:654,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:655,Part of Protein,,,,,[Mg+2],
,,,MG:B:655,Part of Protein,,,,,[Mg+2],
,,,CTP:B:653,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:653,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
3.4.23.24,,,,,,,,,
,Family. Representative Entry is ,2QZX,,,,,,,
,,,IVA VAL VAL STA ALA STA:C:2001,valid,ic50,=,6,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:D:2001,valid,ic50,=,6,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,Family. Representative Entry is ,1ZAP,,,,,,,
,,,A70:A:500,valid,Ki,=,0.17,nM,CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,3PVK,,,,,,,
,,,BAM:A:2001,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:3001,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,IMD:A:4002,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:4003,invalid,,,,,c1c[nH+]c[nH]1,
,,,MPD:A:4001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,1EAG,,,,,,,
,,,A70:A:343,valid,,,,,CCCC[C@@H](C(=O)N[C@@H](CC1CCCCC1)[C@H](C[C@@H](C(C)C)C(=O)NCCCC)O)N2CCN([C@@H](C2=O)Cc3ccccc3)C(=O)N4CCN(CC4)C,
,Family. Representative Entry is ,1J71,,,,,,,
,,,EOH:A:572,invalid,,,,,CCO,
,,,EOH:A:573,invalid,,,,,CCO,
,,,EOH:A:574,invalid,,,,,CCO,
,,,EOH:A:575,invalid,,,,,CCO,
,,,EOH:A:576,invalid,,,,,CCO,
,,,EOH:A:577,invalid,,,,,CCO,
,,,THR ILE THR SER:B:336,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)C(CC)C)C(O)C)CO,
,Family. Representative Entry is ,2H6T,,,,,,,
,,,IVA VAL VAL STA ALA STA:B:1,valid,Ki,=,60,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3FV3,,,,,,,
,,,GOL:A:341,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:341,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:344,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:340,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:341,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:344,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:344,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:345,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:345,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:346,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:342,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:343,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:344,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:345,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:346,invalid,,,,,C(C(CO)O)O,
,,,IVA VAL VAL STA ALA STA:I:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:J:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:K:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:L:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:M:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:N:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:O:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:P:501,valid,Ki,=,0.3,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,SO4:A:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TNE,,,,,,,
,,,RIT:A:401,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
,,,RIT:B:401,valid,,,,,CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O,
2.7.7.-,,,,,,,,,
,Family. Representative Entry is ,1KNY,,,,,,,
,,,APC:A:556,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:557,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,KAN:A:558,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:559,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3WV8,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3WV7,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1I52,,,,,,,
,,,CA:A:2001,Part of Protein,,,,,[Ca+2],
,,,CTP:A:1001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:2002,invalid,,,,,[Mg+2],
,,1INI,,,,,,,
,,,CDM:A:1001,valid,,,,,C[C@](CO)([C@@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)O)O,
,,,MG:A:1002,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3ZCB,,,,,,,
,,,GOL:A:1199,invalid,,,,,C(C(CO)O)O,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ATP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3ZC7,,,,,,,
,,,ATP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3ZLM,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,3S6A,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4LIK,,,,,,,
,,,CIT:A:504,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:503,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,6R5D,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:E:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:E:508,invalid,,,,,C(CO)O,
,,,EDO:E:507,invalid,,,,,C(CO)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:E:502,Part of Protein,,,,,[Mn+2],
,,,MN:E:503,Part of Protein,,,,,[Mn+2],
,,,DTP:A:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:E:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,6R5E,,,,,,,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:E:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:E:508,invalid,,,,,C(CO)O,
,,,EDO:E:507,invalid,,,,,C(CO)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:E:502,Part of Protein,,,,,[Mn+2],
,,,MN:E:503,Part of Protein,,,,,[Mn+2],
,,,JSQ:E:504,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,JSQ:A:504,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,6R4U,,,,,,,
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:E:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:E:503,Part of Protein,,,,,[Mn+2],
,,,HFD:A:504,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,HFD:E:504,valid,,,,,c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N,
,,,EDO:E:505,invalid,,,,,C(CO)O,
,,6R4T,,,,,,,
,,,HEJ:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,HEJ:D:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4U0S,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ADP:A:501,valid,Kd,=,0.158,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,Kd,=,0.158,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PG4:B:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,6I7I,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,P33:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,6I7L,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5V3Y,,,,,,,
,,,SO4:B:1802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5V8:A:1801,valid,ic50,=,0.19,uM,CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O,
,,,5V8:B:1801,valid,ic50,=,0.19,uM,CNC(=O)c1c2c(ccc(c2CN3CCCCC3)O)oc1c4ccc(cc4)O,
,,5V3X,,,,,,,
,,,I28:A:1801,valid,ic50,=,0.26,uM,CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4,
,,,I28:B:1801,valid,ic50,=,0.26,uM,CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4,
,,5V40,,,,,,,
,,,JS1:A:1801,valid,ic50,=,1.57,uM,CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3,
,,,JS1:B:1801,valid,ic50,=,1.57,uM,CCOC(=O)c1c2c(ccc(c2CN(C)C)O)oc1c3ccccc3,
,,5V42,,,,,,,
,,,I66:A:1801,valid,ic50,=,0.24,uM,CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4,
,,,I66:B:1801,valid,ic50,=,0.24,uM,CCOC(=O)c1c2c(ccc(c2CN3CCCC3)O)oc1c4ccccc4,
,,5V41,,,,,,,
,,,J24:A:1801,valid,ic50,=,0.71,uM,CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4,
,Family. Representative Entry is ,3ZCN,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3ZEC,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ANP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4NKT,,,,,,,
,,,MG:A:404,invalid,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:405,invalid,,,,,[Mg+2],
,,,MG:B:404,invalid,,,,,[Mg+2],
,,,2KH:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,2KH:B:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O,
,,,BR:B:402,invalid,,,,,[Br-],
,,,BR:A:403,invalid,,,,,[Br-],
,,,BR:A:402,invalid,,,,,[Br-],
,,4FHW,,,,,,,
,,,GTP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4NKU,,,,,,,
,,,A   U  :D:58,valid,,,,,,
,,,A   U  :H:58,valid,,,,,,
,,,BR:D:101,invalid,,,,,[Br-],
,,,BR:B:402,invalid,,,,,[Br-],
,,,BR:A:403,invalid,,,,,[Br-],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,4FH5,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,UTP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FHV,,,,,,,
,,,CTP:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,4EP7,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,UTP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4FHP,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,UTP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3WB0,,,,,,,
,,,FEG:B:201,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,,FEG:D:201,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,,FEG:A:201,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,,FEG:C:201,valid,,,,,Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H](C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O,
,,3WB2,,,,,,,
,,,YGP:A:201,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,YGP:C:202,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,YGP:C:201,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,YGP:A:202,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,GDP:A:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5D5Q,,,,,,,
,,,57O:A:201,valid,,,,,Cc1c(nc(c(c1O)C)O)CC(=O)O,
,,,57O:B:201,valid,,,,,Cc1c(nc(c(c1O)C)O)CC(=O)O,
,,,57O:C:201,valid,,,,,Cc1c(nc(c(c1O)C)O)CC(=O)O,
,,,57O:D:201,valid,,,,,Cc1c(nc(c(c1O)C)O)CC(=O)O,
,Family. Representative Entry is ,4U03,,,,,,,
,,,TLL:A:505,valid,ic50,=,1.69,uM,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,
,,,TLL:B:505,valid,ic50,=,1.69,uM,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4XJ3,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,GTP:A:1013,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1012,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,4TY0,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,38V:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N,
,,,38V:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5NC(=NC6=O)N)O)O)O)N,
,,4U0M,,,,,,,
,,,ATP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,TLL:A:504,valid,,,,,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,
,,4U0N,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,TLL:A:402,valid,,,,,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,
,,,TLL:B:402,valid,,,,,CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O,
,,4XJ4,,,,,,,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1001,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,3AT:A:1006,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,3AT:A:1007,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,MG:A:1008,Part of Protein,,,,,[Mg+2],
,,4XJ5,,,,,,,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1012,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,NA:A:1015,Part of Protein,,,,,[Na+],
,,,GH3:A:1013,valid,,,,,c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,GH3:A:1014,valid,,,,,c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6ILD,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,45A:B:605,valid,,,,,CP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4MXP,,,,,,,
,,,NA:A:702,Part of Protein,,,,,[Na+],
,,,DB4:A:701,valid,Kd,=,3.8,nM,CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,3H8V,,,,,,,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FC0,,,,,,,
,,,DGP:A:239,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,MN:A:237,Part of Protein,,,,,[Mn+2],
,,,MN:A:238,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,1CR1,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TTP:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,1CR2,,,,,,,
,,,DTP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1CR4,,,,,,,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYD:A:600,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5Z0A,,,,,,,
,,,NAG:F:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5O74,,,,,,,
,,,GDP:F:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:L:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:J:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:H:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6EAC,,,,,,,
,,,ACT:B:515,invalid,,,,,CC(=O)[O-],
,,,ACT:A:518,invalid,,,,,CC(=O)[O-],
,,,ACT:C:511,invalid,,,,,CC(=O)[O-],
,,,ACT:A:519,invalid,,,,,CC(=O)[O-],
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:509,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:D:508,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:B:510,invalid,,,,,C(CO)O,
,,,EDO:D:510,invalid,,,,,C(CO)O,
,,,EDO:B:511,invalid,,,,,C(CO)O,
,,,EDO:B:513,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:D:507,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:D:509,invalid,,,,,C(CO)O,
,,,EDO:C:507,invalid,,,,,C(CO)O,
,,,EDO:C:508,invalid,,,,,C(CO)O,
,,,EDO:B:512,invalid,,,,,C(CO)O,
,,,CA:C:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:D:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:D:503,Part of Protein,,,,,[Ca+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,PEG:B:514,invalid,,,,,C(COCCO)O,
,,,PEG:A:517,invalid,,,,,C(COCCO)O,
,,,PEG:D:511,invalid,,,,,C(COCCO)O,
,,,PEG:C:510,invalid,,,,,C(COCCO)O,
,,,PEG:C:509,invalid,,,,,C(COCCO)O,
,,,ANP:D:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4EDK,,,,,,,
,,,BEN:A:501,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:503,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GTP:A:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:506,Part of Protein,,,,,[Mn+2],
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,4EDG,,,,,,,
,,,ATP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BEN:A:501,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:506,Part of Protein,,,,,[Mn+2],
,,4EDR,,,,,,,
,,,BEN:A:501,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:502,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:A:503,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,,MN:A:506,Part of Protein,,,,,[Mn+2],
,,,MN:A:507,Part of Protein,,,,,[Mn+2],
,,,UTP:A:504,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4EDV,,,,,,,
,,,0O2:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,BEN:A:501,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,,MN:A:505,Part of Protein,,,,,[Mn+2],
,,4EE1,,,,,,,
,,,BEN:A:505,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CTP:A:501,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,,4EDT,,,,,,,
,,,BEN:A:501,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,G4P:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:504,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2IRY,,,,,,,
,,,DGT:A:1102,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:1103,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,MN:A:1100,Part of Protein,,,,,[Mn+2],
,,,MN:B:1101,Part of Protein,,,,,[Mn+2],
,,2IRX,,,,,,,
,,,GTP:A:305,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
3.2.2.19,,,,,,,,,
,Family. Representative Entry is ,6G28,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,AR6:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,6G2A,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,A3R:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4C[C@H](CN4)O)O)O)N,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,CL:A:404,invalid,,,,,[Cl-],
6.3.4.18,,,,,,,,,
,Family. Representative Entry is ,3ORQ,,,,,,,
,,,ADP:A:376,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:B:377,invalid,,,,,C(C(CO)O)O,
,,,MG:A:375,Part of Protein,,,,,[Mg+2],
,,,MG:B:376,Part of Protein,,,,,[Mg+2],
,,,POP:A:377,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:378,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
2.1.1.205,,,,,,,,,
,Family. Representative Entry is ,6JPL,,,,,,,
,,,SO4:C:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAM:D:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,EPE:A:1101,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:1101,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
2.7.7.60,,,,,,,,,
,Family. Representative Entry is ,2XWL,,,,,,,
,,,CTP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:300,invalid,,,,,[Mg+2],
,,,MG:B:300,invalid,,,,,[Mg+2],
,,2XWM,,,,,,,
,,,C5P:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,2YC5,,,,,,,
,,,6BC:A:1300,valid,ic50,=,0.035,uM,c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl,
,,,ACT:A:1306,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1307,invalid,,,,,CC(=O)[O-],
,,,CD:A:1304,invalid,,,,,[Cd+2],
,,,CD:A:1308,invalid,,,,,[Cd+2],
,,,CD:A:1311,invalid,,,,,[Cd+2],
,,,CU:A:1301,Part of Protein,,,,,[Cu+2],
,,,CU:A:1302,Part of Protein,,,,,[Cu+2],
,,,CU:A:1305,Part of Protein,,,,,[Cu+2],
,,,MG:A:1303,Part of Protein,,,,,[Mg+2],
,,,NA:A:1309,Part of Protein,,,,,[Na+],
,,,ZN:A:1310,Part of Protein,,,,,[Zn+2],
,,2YC3,,,,,,,
,,,CD:A:1306,invalid,,,,,[Cd+2],
,,,CD:A:1307,invalid,,,,,[Cd+2],
,,,CD:A:1308,invalid,,,,,[Cd+2],
,,,CU:A:1303,Part of Protein,,,,,[Cu+2],
,,,CU:A:1304,Part of Protein,,,,,[Cu+2],
,,,MW5:A:1301,valid,ic50,=,0.14,uM,c1ccc(cc1)CC2=C(N=C3NC=NN3C2=O)Cl,
,,,NA:A:1302,Part of Protein,,,,,[Na+],
,,,NA:A:1305,Part of Protein,,,,,[Na+],
,,4NAK,,,,,,,
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:407,invalid,,,,,[Cd+2],
,,,K:A:408,Part of Protein,,,,,[K+],
,,,K:A:413,Part of Protein,,,,,[K+],
,,,K:A:409,invalid,,,,,[K+],
,,,K:A:412,Part of Protein,,,,,[K+],
,,,K:A:410,Part of Protein,,,,,[K+],
,,,K:A:411,Part of Protein,,,,,[K+],
,,,DTT:A:402,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,PBQ:A:401,valid,ic50,=,1.4,uM,c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)Br,
,,2YCM,,,,,,,
,,,30A:A:1306,valid,ic50,=,274,uM,c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C(=O)O)Cl,
,,,CD:A:1301,invalid,,,,,[Cd+2],
,,,CD:A:1302,invalid,,,,,[Cd+2],
,,,CD:A:1303,invalid,,,,,[Cd+2],
,,,CU:A:1305,Part of Protein,,,,,[Cu+2],
,,,NA:A:1304,Part of Protein,,,,,[Na+],
,,5MRP,,,,,,,
,,,K:A:403,invalid,,,,,[K+],
,,,K:A:402,invalid,,,,,[K+],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,6BC:A:401,valid,ic50,=,3,uM,c1ccc(cc1)Cc2c(nc3c(cnn3c2O)C#N)Cl,
,,4NAN,,,,,,,
,,,2JM:A:401,valid,ic50,=,19,uM,c1cc(c(c(c1)Br)O)c2c(c(c([nH]2)Br)Br)Br,
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,K:A:409,Part of Protein,,,,,[K+],
,,,K:A:408,invalid,,,,,[K+],
,,,K:A:412,Part of Protein,,,,,[K+],
,,,K:A:407,Part of Protein,,,,,[K+],
,,,K:A:410,Part of Protein,,,,,[K+],
,,,K:A:411,Part of Protein,,,,,[K+],
,,,DTT:A:402,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,CL:A:413,invalid,,,,,[Cl-],
,,5MRM,,,,,,,
,,,K:A:404,invalid,,,,,[K+],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:407,invalid,,,,,[Cd+2],
,,,CD:A:408,invalid,,,,,[Cd+2],
,,,Q9T:A:401,valid,ic50,=,9.3,uM,c1c(cc(c(c1c2cc(no2)C(F)(F)F)O)Br)Br,
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1W77,,,,,,,
,,,C5P:A:3001,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CD:A:1000,invalid,,,,,[Cd+2],
,,,CU:A:1001,Part of Protein,,,,,[Cu+2],
,,,CU:A:1002,Part of Protein,,,,,[Cu+2],
,,,CU:A:1003,Part of Protein,,,,,[Cu+2],
,,,CU:A:1004,Part of Protein,,,,,[Cu+2],
,,4NAL,,,,,,,
,,,CD:A:403,invalid,,,,,[Cd+2],
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,CD:A:404,invalid,,,,,[Cd+2],
,,,CD:A:407,invalid,,,,,[Cd+2],
,,,K:A:408,Part of Protein,,,,,[K+],
,,,K:A:413,Part of Protein,,,,,[K+],
,,,K:A:409,invalid,,,,,[K+],
,,,K:A:412,Part of Protein,,,,,[K+],
,,,K:A:410,Part of Protein,,,,,[K+],
,,,K:A:411,Part of Protein,,,,,[K+],
,,,K:A:414,Part of Protein,,,,,[K+],
,,,DTT:A:402,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,H70:A:401,valid,ic50,=,2.2,uM,c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Cl)Cl,
,,5MRO,,,,,,,
,,,CD:A:406,invalid,,,,,[Cd+2],
,,,CD:A:407,invalid,,,,,[Cd+2],
,,,CD:A:405,invalid,,,,,[Cd+2],
,,,Q9P:A:401,valid,ic50,=,2,uM,c1ccc(cc1)Cc2c(nc3ncnn3c2O)Cl,
,,,K:A:404,invalid,,,,,[K+],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,TRS:A:402,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5HS2,,,,,,,
,,,CTP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:302,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,1W55,,,,,,,
,,,C:A:1372,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:A:1373,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,EDO:A:1375,invalid,,,,,C(CO)O,
,,,GPP:A:1374,valid,,,,,CC(=CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C,
,,,MG:A:1371,Part of Protein,,,,,[Mg+2],
1.3.1.83,,,,,,,,,
,Family. Representative Entry is ,4OPC,,,,,,,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,PGT:A:502,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,4OPI,,,,,,,
,,,GRG:A:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:A:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4OPG,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GRG:A:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:A:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4OPD,,,,,,,
,,,GRG:A:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:504,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:A:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:A:504,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:502,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,GRG:B:503,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C,
,,,FDA:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.4.21.92,,,,,,,,,
,Family. Representative Entry is ,3MT6,,,,,,,
,,,MPD:A:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:802,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:H:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:J:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:J:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:L:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:L:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:203,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:N:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:N:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:O:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:O:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:P:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:P:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Q:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Q:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:R:203,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:R:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:R:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:S:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:T:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:T:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:U:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:U:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:V:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:V:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:W:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:W:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:X:201,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:X:202,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Y:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Z:802,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Z:803,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:Z:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:800,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:801,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,OTT PHE SER PRO MAA ALA MP8:1:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:2:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:3:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:4:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:C:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:D:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:E:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:F:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:G:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:H:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:I:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:J:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:K:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:L:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:M:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:N:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Z:301,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:P:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Q:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:R:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:S:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:T:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:U:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:V:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:W:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:X:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Y:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:O:700,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,Family. Representative Entry is ,3KTI,,,,,,,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,,,DMS:B:302,invalid,,,,,CS(=O)C,
,,,DMS:C:303,invalid,,,,,CS(=O)C,
,,,DMS:D:304,invalid,,,,,CS(=O)C,
,,,DMS:E:305,invalid,,,,,CS(=O)C,
,,,DMS:F:306,invalid,,,,,CS(=O)C,
,,,DMS:G:307,invalid,,,,,CS(=O)C,
,,,NHE:A:501,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:B:502,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:C:503,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:D:504,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:E:505,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:F:506,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,NHE:G:507,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,OTT PHE SER PRO MAA ALA MP8:H:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:I:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:J:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:K:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:L:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:M:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:N:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,Family. Representative Entry is ,5DKP,,,,,,,
,,,NA:C:302,Part of Protein,,,,,[Na+],
,,,NA:K:302,Part of Protein,,,,,[Na+],
,,,NA:H:302,Part of Protein,,,,,[Na+],
,,,K:J:301,Part of Protein,,,,,[K+],
,,,K:D:301,Part of Protein,,,,,[K+],
,,,K:E:301,Part of Protein,,,,,[K+],
,,,K:H:301,Part of Protein,,,,,[K+],
,,,K:B:301,Part of Protein,,,,,[K+],
,,,K:A:301,Part of Protein,,,,,[K+],
,,,K:I:301,Part of Protein,,,,,[K+],
,,,K:K:301,Part of Protein,,,,,[K+],
,,,K:M:301,Part of Protein,,,,,[K+],
,,,K:C:301,Part of Protein,,,,,[K+],
,,,K:L:301,Part of Protein,,,,,[K+],
,,,K:F:301,Part of Protein,,,,,[K+],
,,,K:N:301,Part of Protein,,,,,[K+],
,,,K:G:301,Part of Protein,,,,,[K+],
,,,OTT PHE SER PRO MAA ALA MP8:Z:401,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:1:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Z:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:P:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Y:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:0:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:T:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:R:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:U:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:3:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:2:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:Q:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:O:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:W:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:S:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:X:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,,,OTT PHE SER PRO MAA ALA MP8:V:1,valid,,,,,O=C(NC1C(=O)N2C(C(=O)N(C)C(C)C(=O)NC(C)C(=O)N3C(C(=O)OC1)CC(C)C3)CCC2)C(NC(=O)CCCCCC=C)Cc1ccccc1,
,Family. Representative Entry is ,2ZL4,,,,,,,
,,,ALA ALA ALA ALA:1:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:2:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:O:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:P:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:Q:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:R:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:S:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:T:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:U:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:V:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:W:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:X:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:Y:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,,ALA ALA ALA ALA:Z:201,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C,
,,2ZL2,,,,,,,
,,,ASN VAL LEU GLY PHE THR GLN:O:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:P:4,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:Q:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:T:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:U:2,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:V:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:W:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,ASN VAL LEU GLY PHE THR GLN:X:1,valid,,,,,O=C(NC(C(=O)NCC=O)CC(C)C)C(NC(=O)C([NH3+])CC(=O)N)C(C)C,
,,,UNK UNK UNK UNK UNK UNK UNK:R:1,invalid,,,,,,
,,,UNK UNK UNK UNK UNK UNK UNK:S:1,invalid,,,,,,
,Family. Representative Entry is ,6PKA,,,,,,,
,,,OO1 WFP SER PRO YCP ALA MP8:H:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:Z:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:B:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:R:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:X:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:J:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:V:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:O:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:U:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:Q:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:P:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:C:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:A:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,OO1 WFP SER PRO YCP ALA MP8:Y:1,valid,Kd,=,1.19,uM,Fc1cc(F)cc(CC(NC(=O)Nc2ccc(C)cc2)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,6TTZ,,,,,,,
,,,NWT:B:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:E:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:F:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:C:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:D:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:A:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,,NWT:G:901,valid,,,,,CCCC/C=C/C(=O)N[C@@H](Cc1cc(cc(c1)F)F)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCCN5C2=O)C)C,
,,6PMD,,,,,,,
,,,SHV WFP SER PRO YCP ALA MP8:O:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:H:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:R:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:X:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:V:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:Y:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:Z:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:J:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:U:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:Q:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,SHV WFP SER PRO YCP ALA MP8:P:1,valid,,,,,Fc1cc(F)cc(CC(NC(=O)C=CCCCC)C(=O)NC2C(=O)N3C(C(=O)N4C(C(=O)NC(C)C(=O)N5C(C(=O)OC2)CC(C)C5)CCCC4)CCC3)c1,
,,,MPD:L:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:G:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:K:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:M:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:S:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:N:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:F:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:T:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:I:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6DL7,,,,,,,
,,,ONC:G:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:B:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:A:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:E:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:D:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:C:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
,,,ONC:F:301,valid,,,,,Cc1ccccc1CN2c3nccn3C4=C(C2=O)CN(CC4)Cc5ccccc5,
4.1.2.4,,,,,,,,,
,Family. Representative Entry is ,6Z9I,,,,,,,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,G3H:B:302,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
3.1.3.16,,,,,,,,,
,Family. Representative Entry is ,6IHT,,,,,,,
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:A:306,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:A:305,Part of Protein,,,,,[Mn+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GLY GLY SEP:X:1,valid,,,,,P(=O)(OCC(NC(=O)CNC(=O)C[NH3+])C(=O)[O-])([O-])[O-],
,Family. Representative Entry is ,4ZX2,,,,,,,
,,,MRD:A:505,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,4TE:A:503,valid,,,,,C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,3H67,,,,,,,
,,,NHC:A:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,NHC:D:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,3H62,,,,,,,
,,,MN:B:500,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:C:500,Part of Protein,,,,,[Mn+2],
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,NHC:B:0,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,NHC:C:0,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,3H61,,,,,,,
,,,ENL:A:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,ENL:D:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:500,Part of Protein,,,,,[Mn+2],
,,,MN:D:501,Part of Protein,,,,,[Mn+2],
,,3H69,,,,,,,
,,,ENL:A:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,ENL:D:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,3H63,,,,,,,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:C:500,Part of Protein,,,,,[Mn+2],
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,NHC:A:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,NHC:C:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,4ZVZ,,,,,,,
,,,PEG:C:505,invalid,,,,,C(COCCO)O,
,,,PEG:D:504,invalid,,,,,C(COCCO)O,
,,,MN:C:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:C:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,4TF:D:503,valid,,,,,CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,4TF:C:503,valid,,,,,CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,4TF:B:503,valid,,,,,CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,4TF:A:503,valid,,,,,CCCOC[C@@H]1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,NA:C:504,Part of Protein,,,,,[Na+],
,,3H68,,,,,,,
,,,NHC:A:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,NHC:D:1,valid,,,,,C[C@]1([C@H]2CC[C@@H]([C@]1(C)C(=O)O)O2)C(=O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,3H64,,,,,,,
,,,ENL:A:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,ENL:D:0,valid,,,,,C1C[C@@H]2[C@H]([C@H]([C@H]1O2)C(=O)O)C(=O)O,
,,,MN:A:500,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:D:500,Part of Protein,,,,,[Mn+2],
,,,MN:D:501,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4LA7,,,,,,,
,,,A1O:A:201,valid,ic50,=,267,nM,CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(cc3)C,
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:605,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,5VRO,,,,,,,
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,A7S:A:300,valid,,,,,CCCN1c2ccc(cc2CCC1=O)NS(=O)(=O)Cc3ccc(c(c3)F)C,
,,3KB3,,,,,,,
,,,A8S:A:189,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MG:B:997,Part of Protein,,,,,[Mg+2],
,,,MG:B:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3RGQ,,,,,,,
,,,5P5:A:300,valid,,,,,CCCC(=O)OC[C@H](CO[P@](=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,3E7A,,,,,,,
,,,ACB ARG 1ZN FGA MDH:C:1,valid,ic50,=,0.1,nM,O=C([O-])C1C(C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(=CC)C(=O)N1,
,,,ACB ARG 1ZN FGA MDH:D:1,valid,ic50,=,0.1,nM,O=C([O-])C1C(C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(=CC)C(=O)N1,
,,,AZI:B:303,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:410,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,CL:B:409,invalid,,,,,[Cl-],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:411,invalid,,,,,C(C(CO)O)O,
,,,IOD:A:301,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:A:404,invalid,,,,,[I-],
,,,IOD:A:405,invalid,,,,,[I-],
,,,IOD:A:406,invalid,,,,,[I-],
,,,IOD:A:407,invalid,,,,,[I-],
,,,IOD:B:301,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:B:404,invalid,,,,,[I-],
,,,IOD:B:405,invalid,,,,,[I-],
,,,IOD:B:406,invalid,,,,,[I-],
,,,IOD:B:407,invalid,,,,,[I-],
,,,IOD:B:408,invalid,,,,,[I-],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,3E7B,,,,,,,
,,,AZI:A:2,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:503,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:504,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:A:505,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:2,invalid,,,,,[N-]=[N+]=[N-],
,,,AZI:B:501,invalid,,,,,[N-]=[N+]=[N-],
,,,CL:A:1,invalid,,,,,[Cl-],
,,,E7B:A:500,valid,ic50,=,0.16,nM,C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C,
,,,E7B:B:500,valid,ic50,=,0.16,nM,C[C@@H]1CC[C@@]2(CC[C@@H]([C@@H](O2)[C@H](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@@H]([C@@H](C(C)C)OC(=O)C[C@H](/C(=C(C)/C(=O)O)/C(=O)O)O)OC)O)O)C)O[C@H]1CC[C@H](C)C(=O)C,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:400,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,1U32,,,,,,,
,,,BME:A:301,invalid,,,,,C(CS)O,
,,,BME:A:302,invalid,,,,,C(CS)O,
,,,BME:A:303,invalid,,,,,C(CS)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,OKA:A:501,valid,ic50,=,97,nM,C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)C=C[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,
,Family. Representative Entry is ,3PGL,,,,,,,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,RZX:A:257,valid,Ki,=,5,uM,Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCCCOC,
,,2GHT,,,,,,,
,,,MG:A:257,Part of Protein,,,,,[Mg+2],
,,,MG:B:257,Part of Protein,,,,,[Mg+2],
,,,SER TYR SER PRO THR SEP PRO SER:C:171,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C(N)CO)CCC1)C(O)C)C(=O)N1C(C=O)CCC1)([O-])[O-],
,,,SER TYR SER PRO THR SEP PRO SER:D:169,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C(N)CO)CCC1)C(O)C)C(=O)N1C(C=O)CCC1)([O-])[O-],
,,2GHQ,,,,,,,
,,,MG:B:257,Part of Protein,,,,,[Mg+2],
,,,MG:C:151,Part of Protein,,,,,[Mg+2],
,,,PRO SER TYR SEP PRO THR SEP PRO SER:C:171,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CO)Cc2ccc(O)cc2)COP(=O)([O-])[O-])CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)[O-])CO)CCC1)([O-])[O-],
,,,PRO SER TYR SEP PRO THR SEP PRO SER:D:168,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CO)Cc2ccc(O)cc2)COP(=O)([O-])[O-])CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)[O-])CO)CCC1)([O-])[O-],
,Family. Representative Entry is ,4WVO,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,3UZ:A:201,valid,ic50,=,32,nM,COc1cc(ccc1OCC#C)CCNC(=O)[C@H](c2ccc(cc2)Cl)OCC#C,
,,3QN1,,,,,,,
,,,A8S:A:192,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MN:B:1,Part of Protein,,,,,[Mn+2],
,,,MN:B:2,Part of Protein,,,,,[Mn+2],
,,,MN:B:3,Part of Protein,,,,,[Mn+2],
,,3ZVU,,,,,,,
,,,A8S:A:192,valid,Kd,=,97,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MN:B:1506,Part of Protein,,,,,[Mn+2],
,,,MN:B:1507,Part of Protein,,,,,[Mn+2],
,,,SO4:B:1508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1509,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ZCU,,,,,,,
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PYV:D:301,valid,ic50,=,2160,nM,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:301,valid,ic50,=,2160,nM,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,Family. Representative Entry is ,6TZ7,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,PO4:A:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,FK5:C:201,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3NMV,,,,,,,
,,,MG:B:424,Part of Protein,,,,,[Mg+2],
,,,MG:B:425,Part of Protein,,,,,[Mg+2],
,,,MG:B:426,Part of Protein,,,,,[Mg+2],
,,,PYV:A:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3UJL,,,,,,,
,,,A8S:A:189,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MG:B:424,Part of Protein,,,,,[Mg+2],
,,,MG:B:425,Part of Protein,,,,,[Mg+2],
,,,MG:B:426,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2BCD,,,,,,,
,,,ACB VAL 1ZN FGA MDH:B:1,valid,ic50,=,0.06,nM,O=C([O-])C1C(C)C(=O)NC(C(C)C)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(=CC)C(=O)N1,
,,,BME:A:604,invalid,,,,,C(CS)O,
,,,BME:A:605,invalid,,,,,C(CS)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,MN:A:407,Part of Protein,,,,,[Mn+2],
,,1IT6,,,,,,,
,,,CYU:A:501,valid,Ki,=,4.1,nM,C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)C=C(/C)C(=CC=CC(=C/C#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1CC=Cc3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O,
,,,CYU:B:1501,valid,Ki,=,4.1,nM,C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)C=C(/C)C(=CC=CC(=C/C#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1CC=Cc3coc(n3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,1JK7,,,,,,,
,,,BME:A:2023,invalid,,,,,C(CS)O,
,,,BME:A:2024,invalid,,,,,C(CS)O,
,,,BME:A:2025,invalid,,,,,C(CS)O,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,OKA:A:501,valid,,,,,C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)C=C[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O,
,,,SO4:A:2022,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BDX,,,,,,,
,,,DAL LEU ACB ALA 1ZN FGA MAA:B:1,valid,,,,,O=C([O-])C1C(C)C(=O)NC(C)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N1,
,,,MN:A:400,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,5MN0,,,,,,,
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:B:602,Part of Protein,,,,,[Mn+2],
,,,MN:B:604,Part of Protein,,,,,[Mn+2],
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,A8S:A:301,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,CL:B:609,invalid,,,,,[Cl-],
,,,CL:B:607,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:B:606,invalid,,,,,[Cl-],
,,,CL:B:608,invalid,,,,,[Cl-],
,,,CL:B:610,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3JRS,,,,,,,
,,,A8S:A:1,valid,Kd,=,52,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,A8S:B:2,valid,Kd,=,52,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,A8S:C:3,valid,Kd,=,52,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,3NEF,,,,,,,
,,,PYV:A:201,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,Family. Representative Entry is ,4DS8,,,,,,,
,,,A8S:A:301,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4J6O,,,,,,,
,,,CIT:A:509,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PG4:B:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:503,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,MN:A:508,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3EGH,,,,,,,
,,,ACB ARG 1ZN FGA MDH:E:1,valid,,,,,O=C([O-])C1C(C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(=CC)C(=O)N1,
,,,ACB ARG 1ZN FGA MDH:F:1,valid,,,,,O=C([O-])C1C(C)C(=O)NC(CCCNC(=[NH2+])N)C(=O)NC(C=CC(=CC(C(OC)Cc2ccccc2)C)C)C(C)C(=O)NC(C(=O)[O-])CCC(=O)N(C)C(=CC)C(=O)N1,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,3EF0,,,,,,,
,,,ALF:A:600,valid,,,,,F[Al-](F)(F)F,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6B67,,,,,,,
,,,MET SEP ILE PTR VAL ALA 48V:D:1,valid,Kd,=,8.9,uM,S(CCC1C(=O)NC(COP(=O)([O-])[O-])C(=O)NC(C(CC)C)C(=O)NC(Cc2ccc(OP(=O)([O-])[O-])cc2)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(=O)N)CSCC(=O)N1)C,
,,,MET SEP ILE PTR VAL ALA 48V:F:1,valid,Kd,=,8.9,uM,S(CCC1C(=O)NC(COP(=O)([O-])[O-])C(=O)NC(C(CC)C)C(=O)NC(Cc2ccc(OP(=O)([O-])[O-])cc2)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(=O)N)CSCC(=O)N1)C,
,,,MET SEP ILE PTR VAL ALA 48V:E:1,valid,Kd,=,8.9,uM,S(CCC1C(=O)NC(COP(=O)([O-])[O-])C(=O)NC(C(CC)C)C(=O)NC(Cc2ccc(OP(=O)([O-])[O-])cc2)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(=O)N)CSCC(=O)N1)C,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3KDJ,,,,,,,
,,,A8S:A:222,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,MN:B:435,Part of Protein,,,,,[Mn+2],
,,3JRQ,,,,,,,
,,,A8S:B:1,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,3NMN,,,,,,,
,,,MG:B:998,Part of Protein,,,,,[Mg+2],
,,,MG:B:999,Part of Protein,,,,,[Mg+2],
,,,MG:D:998,Part of Protein,,,,,[Mg+2],
,,,MG:D:999,Part of Protein,,,,,[Mg+2],
,,,PYV:A:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,Family. Representative Entry is ,5JO1,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,6LM:A:800,valid,,,,,C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O,
,,5JO2,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,A8S:A:800,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,Family. Representative Entry is ,4OIC,,,,,,,
,,,NA:B:505,invalid,,,,,[Na+],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MN:B:504,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,A8S:A:301,valid,Kd,=,31.3,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,Family. Representative Entry is ,4WOH,,,,,,,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,4NP:A:201,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,Family. Representative Entry is ,3O2Q,,,,,,,
,,,PO4:B:195,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PRO THR SEP PRO SER TYR:F:3,valid,,,,,,
,,4H3K,,,,,,,
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER TYR SEP PRO THR SEP PRO SEP TYR SER:F:2,valid,,,,,,
,,4H3H,,,,,,,
,,,PO4:B:201,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SER PRO THR SER PRO SEP TYR SER PRO PRO:F:3,valid,,,,,,
,Family. Representative Entry is ,1TCO,,,,,,,
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,FE:A:506,Part of Protein,,,,,[Fe+3],
,,,FK5:C:509,valid,,,,,C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](C=C(C1)/C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC,
,,,MYR:B:508,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
2.7.1.115,,,,,,,,,
,Family. Representative Entry is ,1GKZ,,,,,,,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:A:702,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,XE:A:501,invalid,,,,,[Xe],
,,,XE:A:502,invalid,,,,,[Xe],
6.5.1.-,,,,,,,,,
,Family. Representative Entry is ,1UC2,,,,,,,
,,,SO4:A:1101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1109,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4ISZ,,,,,,,
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAV:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N,
,,,GAV:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O[P@@](=O)(O)OP(=O)(O)O)S)O)O)N=C(NC2=O)N,
,,,GLC FRU:E:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
4.2.1.49,,,,,,,,,
,Family. Representative Entry is ,1UWK,,,,,,,
,,,NAD:A:1558,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1558,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,URO:A:1559,valid,,,,,c1c(nc[nH]1)C=CC(=O)O,
,,,URO:B:1559,valid,,,,,c1c(nc[nH]1)C=CC(=O)O,
,,2V7G,,,,,,,
,,,ACT:A:1558,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1559,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1558,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1559,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1560,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1558,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1559,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1561,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1562,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1563,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1558,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1559,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1560,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1561,invalid,,,,,C(C(CO)O)O,
,,,NAD:A:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:3001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,1W1U,,,,,,,
,,,NAD:A:1555,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1555,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,URO:A:1556,valid,,,,,c1c(nc[nH]1)C=CC(=O)O,
,,,URO:B:1556,valid,,,,,c1c(nc[nH]1)C=CC(=O)O,
,,1UWL,,,,,,,
,,,NAD:A:1555,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1555,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1X87,,,,,,,
,,,NAD:A:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:600,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.5.1.16,,,,,,,,,
,Family. Representative Entry is ,3VPC,,,,,,,
,,,ADP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3VPB,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,GLU:A:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:501,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,ADP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:F:100,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:E:100,Part of Protein,,,,,[Zn+2],
1.8.4.-,,,,,,,,,
,Family. Representative Entry is ,3M31,,,,,,,
,,,CD:A:700,invalid,,,,,[Cd+2],
,,,FAD:A:634,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NEN:A:501,invalid,,,,,CCN1C(=O)CCC1=O,
,,1RP4,,,,,,,
,,,CD:A:801,invalid,,,,,[Cd+2],
,,,CD:A:802,invalid,,,,,[Cd+2],
,,,FAD:A:634,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NEN:A:501,invalid,,,,,CCN1C(=O)CCC1=O,
,Family. Representative Entry is ,3AHQ,,,,,,,
,,,FAD:A:1,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
1.4.-.-,,,,,,,,,
,Family. Representative Entry is ,3QJ4,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4HMT,,,,,,,
,,,NNV:A:302,valid,,,,,C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O,
,,,NNV:B:302,valid,,,,,C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)NC2[C@@H]1C(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4HMS,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:302,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HMV,,,,,,,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,WUB:A:303,valid,,,,,c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4HMU,,,,,,,
,,,WUB:A:304,valid,,,,,c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TY9,,,,,,,
,,,FMN:A:251,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:252,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:266,invalid,,,,,[O-]S(=O)(=O)[O-],
1.14.14.158,,,,,,,,,
,Family. Representative Entry is ,6L8H,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:603,invalid,,,,,C(C(CO)O)O,
,,,SOG:D:605,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:C:605,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:604,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:B:604,valid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,HEM:D:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:601,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
2.1.1.8,,,,,,,,,
,Family. Representative Entry is ,2AOU,,,,,,,
,,,CQA:A:402,valid,Ki,=,18.6,nM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:A:403,valid,Ki,=,18.6,nM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:B:400,valid,Ki,=,18.6,nM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,,,CQA:B:401,valid,Ki,=,18.6,nM,CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl,
,Family. Representative Entry is ,2AOT,,,,,,,
,,,2PM:A:400,valid,,,,,CN(C)CCOC(c1ccccc1)c2ccccc2,
,,,2PM:B:401,valid,,,,,CN(C)CCOC(c1ccccc1)c2ccccc2,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,1JQD,,,,,,,
,,,HSM:A:600,valid,,,,,c1c(nc[nH]1)CCN,
,,,HSM:B:601,valid,,,,,c1c(nc[nH]1)CCN,
,,,SAH:A:400,valid,Ki,=,6.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,Ki,=,6.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2AOV,,,,,,,
,,,4DI:A:301,valid,,,,,[H]/N=C(N)/SCCCCN(C)C,
,,,4DI:B:300,valid,,,,,[H]/N=C(N)/SCCCCN(C)C,
,,,C2M:A:401,valid,Ki,=,91,nM,Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl,
,,,C2M:B:400,valid,Ki,=,91,nM,Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl,
3.1.11.1,,,,,,,,,
,Family. Representative Entry is ,3HP9,,,,,,,
,,,CF1:A:501,valid,Ki,=,26,uM,COc1ccc(c(c1)C(=O)O)Nc2cc(ccc2Cl)C(F)(F)F,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,DMS:A:506,invalid,,,,,CS(=O)C,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,3HL8,,,,,,,
,,,BBP:A:501,valid,Ki,=,32,uM,CC(C)(C)C1=NN(C(C1)O)c2nc3ccc(cc3s2)Cl,
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,2QXF,,,,,,,
,,,MG:A:2000,Part of Protein,,,,,[Mg+2],
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,NA:A:2002,Part of Protein,,,,,[Na+],
,,,TMP:A:3000,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
1.1.1.93,,,,,,,,,
,Family. Representative Entry is ,3FLK,,,,,,,
,,,DTT:B:407,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:D:408,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:C:409,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,NH4:A:404,invalid,,,,,[NH4+],
,,,NH4:B:403,invalid,,,,,[NH4+],
,,,NH4:C:404,invalid,,,,,[NH4+],
,,,NH4:D:403,invalid,,,,,[NH4+],
,,,OXL:A:403,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:403,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAI:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
4.1.3.24,,,,,,,,,
,Family. Representative Entry is ,4L80,,,,,,,
,,,1VU:F:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:A:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:D:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:B:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:C:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,1VU:E:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,TRS:A:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:404,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,OXL:F:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4L9Z,,,,,,,
,,,COA:F:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,OXL:F:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:C:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:D:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:A:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:E:402,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,MG:C:403,Part of Protein,,,,,[Mg+2],
,,,MG:D:403,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,4L9Y,,,,,,,
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,GLV:D:401,valid,,,,,C(=O)C(=O)O,
,,,GLV:B:402,valid,,,,,C(=O)C(=O)O,
,,,1VU:B:401,valid,,,,,CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
1.14.11.17,,,,,,,,,
,Family. Representative Entry is ,6EDH,,,,,,,
,,,SIN:B:301,valid,,,,,C(CC(=O)O)C(=O)O,
,,,VVO:B:302,invalid,,,,,O=[V+2],
,,,VVO:A:302,invalid,,,,,O=[V+2],
,,,TAU:B:303,valid,,,,,C(CS(=O)(=O)O)N,
,,,PEG:B:305,invalid,,,,,C(COCCO)O,
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,PG4:B:306,invalid,,,,,C(COCCOCCOCCO)O,
,,,1PE:B:304,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,1OS7,,,,,,,
,,,AKG:A:501,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:503,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:504,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:302,Part of Protein,,,,,[Fe+2],
,,,FE2:B:302,Part of Protein,,,,,[Fe+2],
,,,FE2:C:302,Part of Protein,,,,,[Fe+2],
,,,FE2:D:302,Part of Protein,,,,,[Fe+2],
,,,TAU:A:401,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:B:402,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:C:403,valid,,,,,C(CS(=O)(=O)O)N,
,,1OTJ,,,,,,,
,,,CL:A:900,invalid,,,,,[Cl-],
,,,CL:B:901,invalid,,,,,[Cl-],
,,,CL:D:902,invalid,,,,,[Cl-],
,,,TAU:A:952,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:B:953,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:C:954,valid,,,,,C(CS(=O)(=O)O)N,
,,1GY9,,,,,,,
,,,AKG:A:351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:351,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:A:310,Part of Protein,,,,,[Fe+3],
,,,FE:B:300,Part of Protein,,,,,[Fe+3],
,,,TAU:A:350,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:B:350,valid,,,,,C(CS(=O)(=O)O)N,
1.13.99.1,,,,,,,,,
,Family. Representative Entry is ,3BXD,,,,,,,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,INS:A:303,valid,Ki,=,62,uM,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,OH:A:304,invalid,,,,,[OH-],
,,2HUO,,,,,,,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,INS:A:303,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,OH:A:304,invalid,,,,,[OH-],
,Family. Representative Entry is ,2IBN,,,,,,,
,,,CYS:A:708,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:707,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,FE:A:703,Part of Protein,,,,,[Fe+3],
,,,FE:A:704,Part of Protein,,,,,[Fe+3],
,,,FE:B:705,Part of Protein,,,,,[Fe+3],
,,,FE:B:706,Part of Protein,,,,,[Fe+3],
,,,I1N:A:710,valid,,,,,C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O,
,,,I1N:B:709,valid,,,,,C1([C@@H]([C@@H](C(=O)[C@H]([C@@H]1O)O)O)O)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.16,,,,,,,,,
,Family. Representative Entry is ,2WSB,,,,,,,
,,,MG:A:256,Part of Protein,,,,,[Mg+2],
,,,MG:C:256,Part of Protein,,,,,[Mg+2],
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,POL:B:1255,invalid,,,,,CCCO,
,,,POL:A:1255,invalid,,,,,CCCO,
,,,POL:A:1256,invalid,,,,,CCCO,
,,,POL:B:1256,invalid,,,,,CCCO,
,,,POL:C:1255,invalid,,,,,CCCO,
,,,POL:C:1256,invalid,,,,,CCCO,
,,,POL:D:1255,invalid,,,,,CCCO,
,,,POL:D:1256,invalid,,,,,CCCO,
,,3LQF,,,,,,,
,,,MG:A:255,Part of Protein,,,,,[Mg+2],
,,,MG:C:255,Part of Protein,,,,,[Mg+2],
,,,MRY:A:258,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:B:258,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:C:258,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,MRY:D:258,valid,,,,,C([C@H]([C@H](CO)O)O)O,
,,,NAD:A:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2WDZ,,,,,,,
,,,1SP:A:258,valid,,,,,CCC[C@@H](CO)O,
,,,1SP:A:259,valid,,,,,CCC[C@@H](CO)O,
,,,1SP:B:258,valid,,,,,CCC[C@@H](CO)O,
,,,1SP:C:258,valid,,,,,CCC[C@@H](CO)O,
,,,1SP:D:258,valid,,,,,CCC[C@@H](CO)O,
,,,MG:A:255,Part of Protein,,,,,[Mg+2],
,,,MG:B:255,Part of Protein,,,,,[Mg+2],
,,,MG:C:256,Part of Protein,,,,,[Mg+2],
,,,MG:D:256,Part of Protein,,,,,[Mg+2],
,,,NAD:A:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:257,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
2.1.1.299,,,,,,,,,
,Family. Representative Entry is ,6DUB,,,,,,,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:332,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:B:320,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:A:336,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:B:317,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:B:310,invalid,,,,,*,
,,,UNX:F:101,invalid,,,,,*,
,,,UNX:A:335,invalid,,,,,*,
,,,UNX:E:103,invalid,,,,,*,
,,,UNX:A:330,invalid,,,,,*,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:331,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:323,invalid,,,,,*,
,,,UNX:A:337,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:B:321,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:322,invalid,,,,,*,
,,,UNX:E:101,invalid,,,,,*,
,,,UNX:B:316,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:329,invalid,,,,,*,
,,,UNX:A:334,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:B:315,invalid,,,,,*,
,,,UNX:B:311,invalid,,,,,*,
,,,UNX:B:309,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:B:313,invalid,,,,,*,
,,,UNX:B:324,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:B:312,invalid,,,,,*,
,,,UNX:B:314,invalid,,,,,*,
,,,UNX:E:102,invalid,,,,,*,
,,,UNX:B:318,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:B:319,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:333,invalid,,,,,*,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,5JP PRO LYS ARG ILE ALA:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH2+]C)CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,,5JP PRO LYS ARG ILE ALA:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH2+]C)CO)CCC1)CCCC[NH3+])CCCNC(=[NH2+])N)CC)C,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
2.7.4.10,,,,,,,,,
,Family. Representative Entry is ,6ZJD,,,,,,,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:308,Part of Protein,,,,,[Na+],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,ATP:A:301,valid,Kd,=,13,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6ZJE,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,MG:A:405,invalid,,,,,[Mg+2],
,,,AP5:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,,2AK3,,,,,,,
,,,AMP:A:226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:226,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:A:227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:227,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6ZJB,,,,,,,
,,,G5P:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,G5P:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,,MG:C:302,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:F:302,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:E:302,invalid,,,,,[Mg+2],
3.2.1.49,,,,,,,,,
,Family. Representative Entry is ,1KTC,,,,,,,
,,,ACY:A:3101,invalid,,,,,CC(=O)O,
,,,ACY:A:3102,invalid,,,,,CC(=O)O,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1109,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:685,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:869,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGA:A:870,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2105,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3H55,,,,,,,
,,,CIT:A:1100,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:2100,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLA:A:1000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:1500,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:2000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:2500,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:885,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:885,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC BMA:C:1,invalid,,,,,,
,,4DO4,,,,,,,
,,,ACY:A:515,invalid,,,,,CC(=O)O,
,,,CIT:A:511,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:511,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DJN:A:510,valid,,,,,CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO,
,,,DJN:B:510,valid,,,,,CC(=O)N[C@H]1CN[C@@H]([C@@H]([C@@H]1O)O)CO,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:518,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,4DO6,,,,,,,
,,,2PE:B:510,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:B:513,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,BGC:B:511,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CIT:A:510,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GLC:A:511,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:512,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:512,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,4DO5,,,,,,,
,,,CIT:A:510,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:510,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,DGJ:A:509,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,DGJ:B:509,valid,,,,,C1[C@@H]([C@H]([C@H]([C@H](N1)CO)O)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:516,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,3H54,,,,,,,
,,,A2G:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:B:2000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,GOL:A:1024,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1030,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1039,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1113,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1165,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1200,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1328,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1024,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1113,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1200,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1328,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:885,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:885,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC BMA:C:1,invalid,,,,,,
,Family. Representative Entry is ,5WZN,,,,,,,
,,,A2G:B:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2IXB,,,,,,,
,,,A2G:A:1446,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,MPD:A:1449,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1447,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1448,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:1445,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2IXA,,,,,,,
,,,MPD:A:1448,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1449,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:A:1446,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1447,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NAD:A:1445,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
1.13.11.2,,,,,,,,,
,Family. Representative Entry is ,3HPY,,,,,,,
,,,FE:A:310,Part of Protein,,,,,[Fe+3],
,,,FE:B:310,Part of Protein,,,,,[Fe+3],
,,,FE:C:310,Part of Protein,,,,,[Fe+3],
,,,FE:D:310,Part of Protein,,,,,[Fe+3],
,,,MCT:A:311,valid,,,,,Cc1ccc(c(c1)O)O,
,,,MCT:B:311,valid,,,,,Cc1ccc(c(c1)O)O,
,,,MCT:C:311,valid,,,,,Cc1ccc(c(c1)O)O,
,,3HQ0,,,,,,,
,,,FE:A:310,Part of Protein,,,,,[Fe+3],
,,,FE:B:310,Part of Protein,,,,,[Fe+3],
,,,FE:C:310,Part of Protein,,,,,[Fe+3],
,,,FE:D:310,Part of Protein,,,,,[Fe+3],
,,,M3P:B:311,valid,,,,,CC(=O)C=CC=C(/C(=O)O)O,
,,,M3P:C:311,valid,,,,,CC(=O)C=CC=C(/C(=O)O)O,
,,,M3P:D:311,valid,,,,,CC(=O)C=CC=C(/C(=O)O)O,
2.7.8.28,,,,,,,,,
,Family. Representative Entry is ,6UW5,,,,,,,
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:405,Part of Protein,,,,,[Ca+2],
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,FO1:B:402,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,6UW1,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,FO1:B:401,valid,,,,,c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,6UW7,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,QMD:B:502,valid,,,,,C=C(C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,6UW3,,,,,,,
,,,CA:B:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
2.4.2.4,,,,,,,,,
,Family. Representative Entry is ,4LHM,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AZZ:A:510,valid,Ki,=,0.68,mM,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-],
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,4YYY,,,,,,,
,,,URI:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,URI:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,,,CIT:B:503,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:502,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:501,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,4GA6,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1UOU,,,,,,,
,,,CMU:A:1481,valid,Ki,=,20,nM,[H]/N=C1/CCCN1CC2=C(C(=O)NC(=O)N2)Cl,
,,2WK6,,,,,,,
,,,IUR:A:1482,valid,Ki,=,0.48,mM,C1=C(C(=O)NC(=O)N1)I,
,,,IUR:B:1482,valid,Ki,=,0.48,mM,C1=C(C(=O)NC(=O)N1)I,
,,2J0F,,,,,,,
,,,TDR:A:1480,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:B:1480,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:C:1480,valid,,,,,CC1=CNC(=O)NC1=O,
1.4.1.3,,,,,,,,,
,Family. Representative Entry is ,3ETG,,,,,,,
,,,GLU:A:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GTP:A:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GWD:A:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,GWD:B:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,GWD:C:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,GWD:D:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,GWD:E:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,GWD:F:552,valid,ic50,=,1.5,uM,c1cc2c(cc1I)/C(=Cc3cc(c(c(c3)Br)O)Br)/C(=O)N2,
,,,NDP:A:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,3ETD,,,,,,,
,,,B1T:A:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,B1T:B:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,B1T:C:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,B1T:D:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,B1T:E:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,B1T:F:552,valid,ic50,=,4.8,uM,c1c(cc(c(c1Sc2cc(cc(c2O)Cl)Cl)O)Cl)Cl,
,,,GLU:A:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:550,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GTP:A:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:553,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NDP:A:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:E:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:551,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,6DHD,,,,,,,
,,,GLU:D:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GTP:E:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:604,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAI:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:E:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:C:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:F:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:604,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,6DHQ,,,,,,,
,,,GLU:D:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:E:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:F:601,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GTP:F:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NDP:E:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:F:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,6YEI,,,,,,,
,,,EDO:F:503,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:505,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:506,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:504,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:C:505,Part of Protein,,,,,[K+],
,,,K:E:504,Part of Protein,,,,,[K+],
,,,K:E:506,Part of Protein,,,,,[K+],
,,,K:D:507,Part of Protein,,,,,[K+],
,,,K:A:507,Part of Protein,,,,,[K+],
,,,NAD:D:502,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:501,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:F:501,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:E:502,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:501,valid,Kd,=,72,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,MRD:B:505,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:505,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:504,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:508,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:D:508,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,AKG:F:502,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
6.3.2.10,,,,,,,,,
,Family. Representative Entry is ,3ZM6,,,,,,,
,,,2GN:A:500,valid,ic50,=,0.3,uM,c1cc(ccc1CN2CCc3c(sc(c3C#N)NC(=O)c4cc(c(cc4Cl)Cl)S(=O)(=O)N5CCOCC5)C2)c6n[nH]nn6,
,,2AM1,,,,,,,
,,,1LG:A:1000,valid,ic50,=,1,uM,c1c(c(cc(c1S(=O)(=O)N2CCOCC2)Cl)Cl)C(=O)Nc3c(c4c(s3)CCCC4)C#N,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4QDI,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3ZL8,,,,,,,
,,,GOL:A:1000,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:1441,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.4.1.115,,,,,,,,,
,Family. Representative Entry is ,4REL,,,,,,,
,,,KMP:A:1001,valid,,,,,c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,ACT:A:1005,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1006,invalid,,,,,CC(=O)[O-],
,,4WHM,,,,,,,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:1001,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
3.4.23.39,,,,,,,,,
,Family. Representative Entry is ,5YIC,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,8VO:A:401,valid,Ki,=,1.3,nM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)N)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,1M43,,,,,,,
,,,IVA VAL VAL STA ALA STA:C:647,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:D:1,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,4Y6M,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,48Q:B:501,valid,,,,,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=Cc3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,48Q:C:501,valid,,,,,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=Cc3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,48Q:A:501,valid,,,,,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCC2)C(=O)N/C(=Cc3ccccc3)/[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,5YIE,,,,,,,
,,,CPS:A:401,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,8VF:A:403,valid,Ki,=,5.6,nM,CCN(CCN)c1cc(c(c(c1)C)OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,5YID,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,K95:A:401,valid,Ki,=,4,nM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccccc3)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,2IGX,,,,,,,
,,,A1T:A:330,valid,,,,,CCCCCc1ccc(nc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)C(=O)N4CCCCC4)C5CCN(CC5)Cc6ccccn6,
,,4CKU,,,,,,,
,,,P2F:F:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,P2F:E:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,P2F:B:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,P2F:A:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,P2F:C:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,,P2F:D:400,valid,ic50,=,0.15,uM,CCCN(CCC)C(=O)c1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)N[C@@H](Cc3ccccc3)[C@@H](CNC(C)(C)c4cccc(c4)OC)O,
,,1XDH,,,,,,,
,,,IVA VAL VAL STA ALA STA:C:1347,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:D:1347,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,1LF2,,,,,,,
,,,R37:A:330,valid,,,,,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3ccc(cc3)N)O)C,
,,5YIB,,,,,,,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,CPS:A:409,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,8VC:A:401,valid,Ki,=,3.3,nM,Cc1cc(cc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)N3CSC([C@H]3C(=O)N[C@H]4c5ccccc5C[C@H]4O)(C)C)O)C)N(C)CCN(C)C,
,,1LEE,,,,,,,
,,,R36:A:500,valid,,,,,Cc1cccc(c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](CC(C)C)NC(=O)c3cccc(c3)N)O)C,
,,5YIA,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:406,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CPS:A:402,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,8V9:A:401,valid,Ki,=,3,nM,CC1([C@H](N(CS1)C(=O)[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)NC(=O)Cc3ccc(cc3)O)O)C(=O)N[C@H]4c5ccccc5C[C@H]4O)C,
,,1XE5,,,,,,,
,,,5FE:A:500,valid,,,,,C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,
,,,5FE:B:500,valid,,,,,C[C@@H](C(=O)N[C@H]([C@H](CC(=O)OC)O)C(F)(F)F)NC(=O)C[C@@H]([C@H](C(F)(F)F)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O,
,Family. Representative Entry is ,2BJU,,,,,,,
,,,IH4:A:1330,valid,ic50,=,34,nM,CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5,
,,,IH4:A:1331,valid,ic50,=,34,nM,CCCCCc1ccc(cc1)C(=O)N(Cc2ccc(cc2)c3ccc(cc3)CC(=O)OC)C4CCN(CC4)Cc5[nH]ccn5,
1.1.1.23,,,,,,,,,
,Family. Representative Entry is ,1KAE,,,,,,,
,,,DTT:A:901,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,HSO:A:1001,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,IMD:B:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,NAD:A:1201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:1202,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1102,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KAH,,,,,,,
,,,HIS:A:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:503,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4G09,,,,,,,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,0VD:A:505,valid,,,,,c1ccc(cc1)COc2ccc(cc2)CC(=O)[C@H](Cc3c[nH]cn3)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1KAR,,,,,,,
,,,HSM:A:502,valid,,,,,c1c(nc[nH]1)CCN,
,,,HSM:B:503,valid,,,,,c1c(nc[nH]1)CCN,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5VLC,,,,,,,
,,,HSO:C:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,HSO:A:501,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,HSO:E:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,HSO:F:501,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,HSO:D:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,HSO:B:502,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](CO)N,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:503,Part of Protein,,,,,[Zn+2],
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:E:501,Part of Protein,,,,,[Zn+2],
,,,ZN:C:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
3.4.21.68,,,,,,,,,
,Family. Representative Entry is ,1RTF,,,,,,,
,,,BEN:B:245,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,PO4:B:1,invalid,,,,,[O-]P(=O)([O-])[O-],
2.7.11.25,,,,,,,,,
,Family. Representative Entry is ,6E2O,,,,,,,
,,,S0L:B:1001,valid,Kd,=,2.9,nM,c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6,
,,,S0L:A:1001,valid,Kd,=,2.9,nM,c1cc(cc(c1)NC(=O)c2cc(ccn2)n3cc(nc3)C4CC4)c5nncn5C6CC6,
,,5V24,,,,,,,
,,,8V7:A:1000,valid,ic50,=,400,nM,CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3,
,,,8V7:B:1000,valid,ic50,=,400,nM,CC(C)n1cnnc1c2nc(cs2)C(=O)Nc3ccccn3,
,,5UOX,,,,,,,
,,,8GY:A:1000,valid,ic50,=,5.012,nM,C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C,
,,,8GY:B:1000,valid,ic50,=,5.012,nM,C[C@H](CO)n1cnnc1c2cccc(n2)N3Cc4ccc(cc4C3=O)OC(C)C,
,,6VRE,,,,,,,
,,,RFG:A:1002,valid,ic50,=,21,nM,CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4,
,,,RFG:B:1001,valid,ic50,=,21,nM,CC(C)n1cnnc1c2cccc(n2)NC(=O)c3cn(nc3OC)c4cnccn4,
,,,DMS:A:1001,invalid,,,,,CS(=O)C,
,,4BIB,,,,,,,
,,,ACT:B:1942,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1944,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1942,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1943,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1941,invalid,,,,,C(C(CO)O)O,
,,,IEO:A:1940,valid,ic50,=,0.63,uM,c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3,
,,,IEO:B:1941,valid,ic50,=,0.63,uM,c1cc(c2c(c[nH]c2c1C(=O)N)C#N)OC3CCNCC3,
,,4BF2,,,,,,,
,,,STU:A:1940,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:1941,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,ACT:B:1942,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1941,invalid,,,,,C(C(CO)O)O,
,,6E2N,,,,,,,
,,,KK8:A:1001,valid,ic50,=,12.5,nM,c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5,
,,,KK8:B:1001,valid,ic50,=,12.5,nM,c1cc(cc(c1)NC(=O)c2cc(ccn2)c3cccnc3)c4nncn4C5CC5,
,,2CLQ,,,,,,,
,,,STU:A:1941,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:1941,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,4BIE,,,,,,,
,,,IE6:A:1942,valid,ic50,=,0.79,uM,Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN,
,,,IE6:B:1943,valid,ic50,=,0.79,uM,Cc1cc2c(ccnc2[nH]1)c3ccc(s3)S(=O)(=O)NCCN,
,,,GOL:B:1942,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1941,invalid,,,,,C(C(CO)O)O,
,,6E2M,,,,,,,
,,,KK7:A:1001,valid,ic50,=,2200,nM,Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3,
,,,KK7:B:1001,valid,ic50,=,2200,nM,Cn1cnnc1c2cccc(c2)NC(=O)c3ccccn3,
,Family. Representative Entry is ,6JUT,,,,,,,
,,,C9O:A:401,valid,ic50,=,2.1,nM,COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F,
,,5X5O,,,,,,,
,,,7Z0:A:401,valid,ic50,=,5,nM,COc1c2cc(cnc2[nH]n1)C#Cc3c(ccc(c3F)NS(=O)(=O)c4cccc(c4)Br)F,
,,5HES,,,,,,,
,,,032:A:401,valid,Kd,=,29,nM,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F,
,,,032:B:401,valid,Kd,=,29,nM,CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)c4ccc(cc4)Cl)F,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6JUU,,,,,,,
,,,C9R:A:401,valid,ic50,=,4,nM,COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc6c5cccc6)F,
,Family. Representative Entry is ,5T8O,,,,,,,
,,,76Z:B:704,valid,Ki,=,0.31,uM,CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O,
,,,76Z:A:705,valid,Ki,=,0.31,uM,CC(C)(C#Cc1ccc2c(c1)-c3nc(cn3CCO2)C(=O)N)O,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5T8P,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,774:A:701,valid,Ki,=,1.28,uM,c1cc(nc-2c1OCCc3c2scc3)C(=O)N,
,,,774:B:703,valid,Ki,=,1.28,uM,c1cc(nc-2c1OCCc3c2scc3)C(=O)N,
,Family. Representative Entry is ,4BHN,,,,,,,
,,,BH9:A:1,valid,ic50,=,13,nM,CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4,
,,,BH9:B:1,valid,ic50,=,13,nM,CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c4c[nH]nc4,
,,,GOL:B:1939,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1941,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5JGA,,,,,,,
,,,6KC:A:601,valid,ic50,=,2.3,nM,CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O,
,,5V5N,,,,,,,
,,,EDH:A:501,valid,ic50,=,9.5,nM,CCCN1c2ccccc2N/C1=NC(=O)c3cccc(c3)C(=O)N,
,,2EVA,,,,,,,
,,,ADN:A:498,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,4O91,,,,,,,
,,,NG2:A:601,valid,,,,,CCN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)c3ccc(c(c3)Oc4ccnc5c4cc[nH]5)C,
,Family. Representative Entry is ,4Y85,,,,,,,
,,,499:A:401,valid,ic50,=,13,nM,c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N,
,,,499:B:401,valid,ic50,=,13,nM,c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N,
,,,499:C:401,valid,ic50,=,13,nM,c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N,
,Family. Representative Entry is ,5CEO,,,,,,,
,,,50D:A:501,valid,Ki,<,0.0005,uM,c1cnc(cc1C#N)Nc2cc(cc(n2)N3CCC(C3)(F)F)C4CCN(CC4)C5COC5,
,,5VO1,,,,,,,
,,,9FS:A:501,valid,Ki,=,0.007,uM,CC(C)n1c(cc(n1)c2cc(c(nc2)N)C(F)(F)F)C3[C@H]4[C@@H]3CN(C4)C5COC5,
,,5CEQ,,,,,,,
,,,50F:A:4000,valid,Ki,=,0.042,uM,c1cnc(cc1C#N)Nc2cc(n(n2)C3CCCC3)C4CCN(CC4)C5COC5,
,,5CEP,,,,,,,
,,,50E:A:501,valid,Ki,=,0.145,uM,CC(C)n1c(cc(n1)Nc2cc(ccn2)C(F)(F)F)C3CCNCC3,
,Family. Representative Entry is ,4IDT,,,,,,,
,,,T28:B:701,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N,
,,,T28:A:701,valid,ic50,=,0.1,uM,c1cc2c(cc1Br)c-3c([nH]2)CCCc4c3nc(nc4)N,
2.4.2.29,,,,,,,,,
,Family. Representative Entry is ,3GE7,,,,,,,
,,,AFQ:A:390,valid,Ki,=,2,nM,CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:387,Part of Protein,,,,,[Zn+2],
,,1ENU,,,,,,,
,,,APZ:A:400,valid,Ki,=,8.3,uM,c1cc2c(cc1N)C(=O)NNC2=O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,2PWU,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GUN:A:600,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,4Q4S,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,S98:A:406,valid,Kd,=,111.6,nM,c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,2QII,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,PQ0:A:500,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1PXG,,,,,,,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,PRF:A:401,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,4KWO,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,1UD:A:401,valid,Ki,=,353,nM,CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)OC)N=C(NC3=O)N,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,2Z7K,,,,,,,
,,,BGU:A:400,valid,Ki,=,77,nM,c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:390,Part of Protein,,,,,[Zn+2],
,,3SM0,,,,,,,
,,,AEK:A:501,valid,Ki,=,740,nM,CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,6RKQ,,,,,,,
,,,K75:A:402,valid,Ki,=,48,uM,CC#C[C@@H]1c2cc3c(cc2N=C(N1)N)[nH]c(n3)NC,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,4Q4P,,,,,,,
,,,2YO:A:405,valid,Kd,=,407.4,nM,c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,1K4H,,,,,,,
,,,APQ:A:900,valid,Ki,=,7.7,uM,CCCSCc1cc(cc2c1N=C(NC2=O)N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1EFZ,,,,,,,
,,,PRF:A:400,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,3C2Y,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,S60:A:400,valid,Ki,=,1.5,uM,Cc1[nH]c2cc3c(cc2n1)N=C(NC3=O)N,
,,,ZN:A:390,Part of Protein,,,,,[Zn+2],
,,1Y5X,,,,,,,
,,,E89:A:500,valid,Ki,=,3.7,uM,COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3,
,,,E89:D:1500,valid,Ki,=,3.7,uM,COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1400,Part of Protein,,,,,[Zn+2],
,,1R5Y,,,,,,,
,,,DQU:A:900,valid,Ki,=,0.35,uM,c1cc2c(cc1N)c(nc(n2)N)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,3RR4,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,HRD:A:501,valid,Ki,=,28050,nM,CNc1[nH]c2cc3c(cc2n1)N=C(NC3=O)NC,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3EOU,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,PK3:A:500,valid,Ki,=,97,nM,CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N,
,,,ZN:A:390,Part of Protein,,,,,[Zn+2],
,,6FMN,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,E4E:A:406,valid,Kd,=,1120,nM,CO[C@H]1[C@@H]([C@@H]([C@H](O1)CNc2[nH]c3cc4c(cc3n2)C(=O)NC(=N4)N)O)O,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,4Q4Q,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,SAQ:A:406,valid,Kd,=,1638.9,nM,c1cc(sc1)CNc2[nH]c3cc4c(cc3n2)N=CNC4=O,
,,4E2V,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,PRF:A:401,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,2Z1X,,,,,,,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,PRF:A:600,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,5JXQ,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,6OK:A:405,valid,Ki,=,7,nM,c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO,
,,,CL:A:406,invalid,,,,,[Cl-],
,,1Q66,,,,,,,
,,,KMB:A:900,valid,Ki,=,1.7,uM,c1ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1N2V,,,,,,,
,,,BDI:A:900,valid,Ki,=,83,uM,CCCCc1[nH]c2c(n1)C(=O)NNC2=O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1Y5W,,,,,,,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,NEZ:A:500,valid,Ki,=,6.9,uM,Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1Q63,,,,,,,
,,,AIQ:A:900,valid,Ki,=,1.4,uM,c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,4PUL,,,,,,,
,,,2WU:A:403,valid,Kd,=,146.1,nM,CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,3GC4,,,,,,,
,,,AAQ:A:395,valid,Ki,=,25,nM,CNc1[nH]c2cc3c(c(c2n1)CCNCc4ccccc4)N=C(NC3=O)N,
,,,GOL:A:400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:399,Part of Protein,,,,,[Zn+2],
,,4LBU,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,1WJ:A:401,valid,Kd,=,276,nM,CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)OC)O)N=C(NC3=O)N,
,,6RKT,,,,,,,
,,,K7H:A:404,valid,Ki,=,17,uM,CNc1[nH]c2cc3c(cc2n1)CNC(=N3)N,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,2Z1W,,,,,,,
,,,BDI:A:600,valid,,,,,CCCCc1[nH]c2c(n1)C(=O)NNC2=O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:710,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,1K4G,,,,,,,
,,,AIQ:A:900,valid,Ki,=,1.4,uM,c1cnc([nH]1)SCc2cc(cc3c2N=C(NC3=O)N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1P0E,,,,,,,
,,,PRF:A:900,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,4LEQ,,,,,,,
,,,1WK:A:401,valid,Kd,=,288,nM,CNc1[nH]c2cc3c(c(c2n1)CC[C@@H]4[C@H]([C@H]([C@@H](O4)OC)O)O)N=C(NC3=O)N,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,1P0B,,,,,,,
,,,PQ0:A:900,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,2POT,,,,,,,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,GUN:A:600,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,2QZR,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,S79:A:500,valid,Ki,=,55,nM,c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,4Q4O,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,2YM:A:406,valid,Kd,=,34.3,nM,c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=O)N,
,,3S1G,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,ITE:A:501,valid,Ki,=,6500,nM,CNc1[nH]c2cc3c(cc2n1)N=CNC3=O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4PUM,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,2WU:A:404,valid,Kd,=,188.1,nM,CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N,
,,1S38,,,,,,,
,,,MAQ:A:900,valid,Ki,=,7,uM,Cc1cccc2c1NC(=NC2=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1Q65,,,,,,,
,,,BHB:A:900,valid,Ki,=,3.5,uM,CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,3EOS,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,PK2:A:400,valid,Ki,=,4,nM,CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCCC4)N=C(NC3=O)N,
,,,ZN:A:387,Part of Protein,,,,,[Zn+2],
,,1F3E,,,,,,,
,,,DPZ:A:400,valid,Ki,=,0.2,uM,c1c(cc(c2c1C(=O)NNC2=O)N)N,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,1Y5V,,,,,,,
,,,GOL:A:610,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:620,invalid,,,,,C(C(CO)O)O,
,,,NE8:A:500,valid,Ki,=,1,uM,c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,1OZQ,,,,,,,
,,,PRF:A:900,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,4PUJ,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,CKR:A:407,valid,Kd,=,35,nM,c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=O)N,
,,2BBF,,,,,,,
,,,344:A:900,valid,Ki,=,7.9,uM,c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,6FPU,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,E48:A:405,valid,Kd,=,321,nM,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CNc4[nH]c5cc6c(cc5n4)C(=O)NC(=N6)N)C,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1S39,,,,,,,
,,,AQO:A:900,valid,Ki,=,20,nM,c1ccc2c(c1)C(=O)NC(=N2)N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,3TLL,,,,,,,
,,,62D:A:501,valid,Ki,=,40830,nM,CCNC1=Nc2cc3c(cc2C(=O)N1)nc([nH]3)NC,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,4PUK,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,2WU:A:405,valid,Kd,=,52.4,nM,CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)N,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,2PWV,,,,,,,
,,,GOL:A:600,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:717,invalid,,,,,C(C(CO)O)O,
,,,PQ0:A:500,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,,3GC5,,,,,,,
,,,2MQ:A:400,valid,Ki,=,55,nM,CNc1[nH]c2c(n1)cc3c(c2CCN)N=C(NC3=O)N,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:390,Part of Protein,,,,,[Zn+2],
,,4Q4R,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,SQO:A:405,valid,Kd,=,369.2,nM,c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=O,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,1Q4W,,,,,,,
,,,DQU:A:900,valid,Ki,=,0.35,uM,c1cc2c(cc1N)c(nc(n2)N)O,
,,,ZN:A:400,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1IT7,,,,,,,
,,,GUN:A:602,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:600,Part of Protein,,,,,[Zn+2],
,,1IT8,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,PQ0:A:602,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)C#N,
,,,ZN:A:600,Part of Protein,,,,,[Zn+2],
,,,ZN:B:600,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6H45,,,,,,,
,,,ZN:B:803,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,GGL:B:805,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,BR:A:503,invalid,,,,,[Br-],
,,,BR:A:507,invalid,,,,,[Br-],
,,,BR:B:804,invalid,,,,,[Br-],
,,,BR:B:809,invalid,,,,,[Br-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:806,invalid,,,,,[Cl-],
,,,CL:B:807,invalid,,,,,[Cl-],
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:B:808,Part of Protein,,,,,[K+],
,,,QEI:A:501,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O,
,,,QEI:B:802,valid,,,,,c1c(c2c([nH]1)N=C(NC2=O)N)CN[C@H]3C=C[C@@H]([C@@H]3O)O,
,,6H42,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,BR:A:508,invalid,,,,,[Br-],
,,,BR:B:508,invalid,,,,,[Br-],
,,,GGL:B:509,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,K:B:501,Part of Protein,,,,,[K+],
,,,K:A:501,Part of Protein,,,,,[K+],
2.7.1.167,,,,,,,,,
,Family. Representative Entry is ,4UTG,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,,,ANP:A:399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:399,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:1347,invalid,,,,,C(CO)O,
,,,EDO:B:1347,invalid,,,,,C(CO)O,
,,4UT4,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,MAN:A:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:400,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
1.14.15.1,,,,,,,,,
,Family. Representative Entry is ,1RE9,,,,,,,
,,,DSO:A:601,valid,Kd,~,0.02,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:801,Part of Protein,,,,,[K+],
,,4L4D,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,2QBL,,,,,,,
,,,CAM:A:517,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:516,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,3FWG,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,,K:B:515,Part of Protein,,,,,[K+],
,,,K:B:715,Part of Protein,,,,,[K+],
,,,TRS:A:430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5IK1,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,2QBO,,,,,,,
,,,CAM:A:442,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:430,invalid,,,,,[C-]#N,
,,,HEM:A:441,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:440,Part of Protein,,,,,[K+],
,,3FWJ,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1,Part of Protein,,,,,[K+],
,,2CP4,,,,,,,
,,,CAM:A:416,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1DZ6,,,,,,,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4L4G,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2Z97,,,,,,,
,,,7HE:A:417,invalid,,,,,Cc1c(c2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Fe@]3(N45)N8C(=C7)C(=C(C8=C2)CCC(=O)O)C)C=C)C)C=C)C)C,
,,,CAM:A:422,valid,Kd,~,3,mM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,K:A:415,Part of Protein,,,,,[K+],
,,1DZ9,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,O:A:502,invalid,,,,,O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1NOO,,,,,,,
,,,CAH:A:422,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1IWI,,,,,,,
,,,CAM:A:418,valid,Kd,=,22,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,3FWI,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1,Part of Protein,,,,,[K+],
,,4CP4,,,,,,,
,,,CAM:A:416,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2A1O,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1515,Part of Protein,,,,,[K+],
,,,K:A:715,Part of Protein,,,,,[K+],
,,,K:B:2515,Part of Protein,,,,,[K+],
,,,OXY:A:420,invalid,,,,,O=O,
,,,OXY:B:420,invalid,,,,,O=O,
,,,TRS:B:2430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1K2O,,,,,,,
,,,CAC:A:501,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:503,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:500,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:502,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:504,invalid,,,,,C[As](=O)(C)[O-],
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,RFA:A:900,valid,,,,,CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F,
,,,RFA:B:902,valid,,,,,CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F,
,,,RFB:A:901,valid,,,,,CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F,
,,,RFB:B:903,valid,,,,,CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6=C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C(C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)CC1C3)F)F)F)F,
,,4L4F,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,1O76,,,,,,,
,,,CAM:A:1420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:1420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:1418,invalid,,,,,[C-]#N,
,,,CYN:B:1418,invalid,,,,,[C-]#N,
,,,HEM:A:1417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:B:1415,Part of Protein,,,,,[K+],
,,,K:B:1419,Part of Protein,,,,,[K+],
,,,K:B:1421,Part of Protein,,,,,[K+],
,,,TRS:A:1421,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4L4A,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1LWL,,,,,,,
,,,DSO:A:900,valid,Kd,~,0.02,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCNC(=O)C34CC5CC(C3)CC(C5)C4,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2CPP,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6CPP,,,,,,,
,,,CAE:A:422,valid,,,,,CC1(C2CCC1(CC2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5WK9,,,,,,,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,CAM:A:503,valid,Kd,=,32.2,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,1YRC,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,2ZAX,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:415,Part of Protein,,,,,[K+],
,,,TRS:A:423,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1T87,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CMO:B:2420,invalid,,,,,[C-]#[O+],
,,,HEM:A:1417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1515,Part of Protein,,,,,[K+],
,,,K:A:1715,Part of Protein,,,,,[K+],
,,,K:B:2515,Part of Protein,,,,,[K+],
,,,TRS:B:2430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2ZWU,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:424,Part of Protein,,,,,[K+],
,,,TRS:A:423,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2H7R,,,,,,,
,,,1MZ:A:416,valid,Kd,=,55.9,uM,Cn1cc[nH+]c1,
,,,HEM:A:415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2A1M,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1515,Part of Protein,,,,,[K+],
,,,K:A:1715,Part of Protein,,,,,[K+],
,,,K:B:2515,Part of Protein,,,,,[K+],
,,,OXY:A:420,invalid,,,,,O=O,
,,,OXY:B:420,invalid,,,,,O=O,
,,,TRS:B:2430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,8CPP,,,,,,,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TCM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=S)C2)C)C,
,,4G3R,,,,,,,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,NO:B:504,invalid,,,,,[N]=O,
,,1DZ8,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,OXY:A:502,invalid,,,,,O=O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3CPP,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CMO:A:418,invalid,,,,,[C-]#[O+],
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4L4C,,,,,,,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,3CP4,,,,,,,
,,,ADM:A:416,valid,,,,,C1C2CC3CC1CC(C2)C3,
,,,HEM:A:415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2FEU,,,,,,,
,,,CAM:A:1420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:1421,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,K:A:729,Part of Protein,,,,,[K+],
,,,K:B:728,Part of Protein,,,,,[K+],
,,,K:B:730,Part of Protein,,,,,[K+],
,,,MNR:A:730,invalid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,MNR:B:731,invalid,,,,,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mn@+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C,
,,,TRS:A:1430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2GQX,,,,,,,
,,,5CL:A:1450,valid,Kd,=,1.71,uM,c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1418,Part of Protein,,,,,[K+],
,,,K:B:2418,Part of Protein,,,,,[K+],
,,2ZAW,,,,,,,
,,,6HE:A:417,invalid,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Fe@@]3(N45)N8C(=C2)C(=C(C8=C7)C=C)C)C)C=C)C)C,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CL:A:416,invalid,,,,,[Cl-],
,,,K:A:415,Part of Protein,,,,,[K+],
,,1AKD,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,5CPP,,,,,,,
,,,ADO:A:422,valid,,,,,C1C2CC3CC1CC(C2)C3=O,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1T88,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:1417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1515,Part of Protein,,,,,[K+],
,,,K:A:1715,Part of Protein,,,,,[K+],
,,,K:B:2515,Part of Protein,,,,,[K+],
,,,TRS:A:1430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3FWF,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,,K:B:515,Part of Protein,,,,,[K+],
,,,K:B:715,Part of Protein,,,,,[K+],
,,,K:B:716,Part of Protein,,,,,[K+],
,,4L49,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,2QBN,,,,,,,
,,,CAM:A:442,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:441,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:440,Part of Protein,,,,,[K+],
,,1GEB,,,,,,,
,,,CAM:A:418,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5CP4,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,GOL:A:491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:493,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:500,Part of Protein,,,,,[K+],
,,1T85,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CMO:A:420,invalid,,,,,[C-]#[O+],
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:428,Part of Protein,,,,,[K+],
,,,K:A:429,Part of Protein,,,,,[K+],
,,4L4B,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,1PHE,,,,,,,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PIY:A:422,valid,,,,,c1ccc(cc1)c2[nH]ccn2,
,,,SO4:A:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3L63,,,,,,,
,,,CAM:A:440,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:420,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:430,Part of Protein,,,,,[K+],
,,7CPP,,,,,,,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NCM:A:422,valid,,,,,C1C[C@@H]2C[C@H]1CC2=O,
,,1J51,,,,,,,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1418,Part of Protein,,,,,[K+],
,,,K:B:2418,Part of Protein,,,,,[K+],
,,,K:C:3418,Part of Protein,,,,,[K+],
,,,K:D:4418,Part of Protein,,,,,[K+],
,,,TCZ:A:1450,valid,,,,,c1c(cc(cc1Cl)Cl)Cl,
,,,TCZ:B:2450,valid,,,,,c1c(cc(cc1Cl)Cl)Cl,
,,,TCZ:C:3450,valid,,,,,c1c(cc(cc1Cl)Cl)Cl,
,,1T86,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:1417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:2417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1430,Part of Protein,,,,,[K+],
,,,K:B:2430,Part of Protein,,,,,[K+],
,,1YRD,,,,,,,
,,,CAM:A:420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,2ZWT,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:424,Part of Protein,,,,,[K+],
,,,TRS:A:423,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1MPW,,,,,,,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:418,Part of Protein,,,,,[K+],
,,,K:B:1418,Part of Protein,,,,,[K+],
,,,TMH:A:1450,valid,Kd,=,1.1,uM,CC1=CC[C@@H]2C[C@H]1C2(C)C,
,,,TMH:B:450,valid,Kd,=,1.1,uM,CC1=CC[C@@H]2C[C@H]1C2(C)C,
,,1DZ4,,,,,,,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5WK7,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,CAH:A:502,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,2QBM,,,,,,,
,,,CAM:A:517,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:421,invalid,,,,,[C-]#N,
,,,HEM:A:516,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:515,Part of Protein,,,,,[K+],
,,4EK1,,,,,,,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,MTN:A:504,invalid,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,MTN:A:505,invalid,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,,MTN:B:504,invalid,,,,,CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C,
,,1IWJ,,,,,,,
,,,CAM:A:418,valid,Kd,=,79,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6CP4,,,,,,,
,,,CAM:A:422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,GOL:A:491,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:500,Part of Protein,,,,,[K+],
,,4L4E,,,,,,,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,2A1N,,,,,,,
,,,CAM:A:1422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:2422,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1515,Part of Protein,,,,,[K+],
,,,K:A:1715,Part of Protein,,,,,[K+],
,,,K:B:2515,Part of Protein,,,,,[K+],
,,,OXY:A:420,invalid,,,,,O=O,
,,,OXY:B:420,invalid,,,,,O=O,
,,,TRS:B:2430,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4CPP,,,,,,,
,,,ADM:A:422,valid,,,,,C1C2CC3CC1CC(C2)C3,
,,,HEM:A:417,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6WE6,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,1UYU,,,,,,,
,,,CAM:A:1416,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:1416,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:1415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1415,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:1417,Part of Protein,,,,,[K+],
,,,K:B:1417,Part of Protein,,,,,[K+],
,,,K:B:1418,Part of Protein,,,,,[K+],
,,,XE:A:1418,invalid,,,,,[Xe],
,,,XE:A:1419,invalid,,,,,[Xe],
,,,XE:A:1420,invalid,,,,,[Xe],
,,,XE:A:1421,invalid,,,,,[Xe],
,,,XE:B:1419,invalid,,,,,[Xe],
,,,XE:B:1420,invalid,,,,,[Xe],
,,,XE:B:1421,invalid,,,,,[Xe],
,,,XE:B:1422,invalid,,,,,[Xe],
,,6WFL,,,,,,,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAH:A:503,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,K:A:501,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,4JX1,,,,,,,
,,,CA:F:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:A:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:F:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:E:502,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,FES:H:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:G:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,1N0:E:504,invalid,,,,,C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O,
,,,CAH:F:503,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,CAH:A:503,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,CAH:E:503,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,6NBL,,,,,,,
,,,FES:D:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CYN:A:502,invalid,,,,,[C-]#N,
,,,CYN:B:502,invalid,,,,,[C-]#N,
,,,CAM:A:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,1N0:C:202,invalid,,,,,C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O,
,,,1N0:D:202,invalid,,,,,C1CC(=O)N(C1=O)CCCCCCN2C(=O)CCC2=O,
5.1.2.2,,,,,,,,,
,Family. Representative Entry is ,6VIM,,,,,,,
,,,PBC:C:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:D:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:B:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:H:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:F:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:G:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:A:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,PBC:E:402,valid,Ki,=,1.8,uM,B(c1ccccc1)(O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:E:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:G:401,Part of Protein,,,,,[Mg+2],
,,,MG:H:401,Part of Protein,,,,,[Mg+2],
,,1MRA,,,,,,,
,,,APG:A:399,valid,,,,,C[C@](c1ccccc1)(C(=O)O)O,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,3UXL,,,,,,,
,,,CFI:A:361,valid,Ki,=,2.7,uM,c1ccc(cc1)N(N=O)O,
,,,CFI:B:361,valid,Ki,=,2.7,uM,c1ccc(cc1)N(N=O)O,
,,,CFI:C:361,valid,Ki,=,2.7,uM,c1ccc(cc1)N(N=O)O,
,,,CFI:D:361,valid,Ki,=,2.7,uM,c1ccc(cc1)N(N=O)O,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,MG:B:360,Part of Protein,,,,,[Mg+2],
,,,MG:C:360,Part of Protein,,,,,[Mg+2],
,,,MG:D:360,Part of Protein,,,,,[Mg+2],
,,1DTN,,,,,,,
,,,APG:A:399,valid,,,,,C[C@](c1ccccc1)(C(=O)O)O,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,4FP1,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,BFM:B:402,valid,Ki,=,0.027,mM,C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O,
,,,BFM:A:402,valid,Ki,=,0.027,mM,C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O,
,,4HNC,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,0UT:B:402,valid,Ki,=,0.67,mM,c1ccc(cc1)C(c2ccccc2)(C(=O)O)O,
,,,0UT:A:402,valid,Ki,=,0.67,mM,c1ccc(cc1)C(c2ccccc2)(C(=O)O)O,
,,1MDL,,,,,,,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,RMN:A:398,valid,,,,,c1ccc(cc1)[C@H](C(=O)O)O,
,,,SMN:A:399,valid,,,,,c1ccc(cc1)[C@@H](C(=O)O)O,
,,1MDR,,,,,,,
,,,APG:A:399,valid,,,,,C[C@](c1ccccc1)(C(=O)O)O,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,3UXK,,,,,,,
,,,BHO:A:361,valid,Ki,=,11.7,uM,c1ccc(cc1)C(=O)NO,
,,,BHO:B:361,valid,Ki,=,11.7,uM,c1ccc(cc1)C(=O)NO,
,,,BHO:C:361,valid,Ki,=,11.7,uM,c1ccc(cc1)C(=O)NO,
,,,BHO:D:361,valid,Ki,=,11.7,uM,c1ccc(cc1)C(=O)NO,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,MG:B:360,Part of Protein,,,,,[Mg+2],
,,,MG:C:360,Part of Protein,,,,,[Mg+2],
,,,MG:D:360,Part of Protein,,,,,[Mg+2],
4.2.1.83,,,,,,,,,
,Family. Representative Entry is ,6DXS,,,,,,,
,,,HJ7:C:402,valid,,,,,C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O,
,,,HJ7:B:402,valid,,,,,C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O,
,,,HJ7:D:402,valid,,,,,C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O,
,,,HJ7:A:402,valid,,,,,C(/C(=C/C(=O)C(=O)O)/C(=O)O)C(=O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,6DXQ,,,,,,,
,,,7QD:D:402,valid,,,,,C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O,
,,,7QD:C:402,valid,,,,,C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O,
,,,7QD:A:402,valid,,,,,C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O,
,,,7QD:B:402,valid,,,,,C(C(=O)C(=O)O)[C@](CC(=O)O)(C(=O)O)O,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
2.7.11.26,,,,,,,,,
,Family. Representative Entry is ,3ZRM,,,,,,,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1388,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZRM:A:1388,valid,ic50,=,0.13,uM,c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O,
,,,ZRM:B:1389,valid,ic50,=,0.13,uM,c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)O,
,,3ZRL,,,,,,,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1389,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1388,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZRL:A:1390,valid,ic50,=,0.16,uM,c1cnccc1c2cc3c(s2)C(=CNC3=O)Br,
,,,ZRL:B:1390,valid,ic50,=,0.16,uM,c1cnccc1c2cc3c(s2)C(=CNC3=O)Br,
,,4AFJ,,,,,,,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1389,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1390,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1391,invalid,,,,,C(C(CO)O)O,
,,,SJJ:A:1391,valid,ic50,=,398,nM,COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3,
,,,SJJ:B:1392,valid,ic50,=,398,nM,COc1ccc(cc1)c2c(nco2)C(=O)NCc3ccncc3,
,,,SO4:A:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1385,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1387,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZRK,,,,,,,
,,,GOL:A:1387,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1388,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1386,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1386,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1384,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1390,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1391,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1392,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZRK:A:1400,valid,ic50,=,0.13,uM,c1cnccc1c2cc3c(o2)C=CNC3=O,
,,,ZRK:B:1400,valid,ic50,=,0.13,uM,c1cnccc1c2cc3c(o2)C=CNC3=O,
,Family. Representative Entry is ,2JLD,,,,,,,
,,,AG1:A:1385,valid,ic50,<,0.04,nM,C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+],
,,,AG1:B:1385,valid,ic50,<,0.04,nM,C[C@@H](C(=O)O)NC(=O)C1(C=CC=C1)[Ru@@]2(n3c4ccc(cc4c5c3c6[n+]2cc(cc6c7c5C(=O)NC7=O)F)O)C#[O+],
,,,ALA GLY GLY ALA ALA ALA ALA ALA:E:1,valid,,,,,O=C(NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C)C)C([NH3+])C,
,,4PTE,,,,,,,
,,,2WF:B:501,valid,ic50,=,74,nM,c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4,
,,,2WF:A:501,valid,ic50,=,74,nM,c1cc(cc2c1ccnc2)c3ccnc(c3)NC(=O)C4CC4,
,,1PYX,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:B:2002,Part of Protein,,,,,[Mg+2],
,,,MG:B:2003,Part of Protein,,,,,[Mg+2],
,,1Q5K,,,,,,,
,,,TMU:A:901,valid,Ki,=,38,nM,COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-],
,,,TMU:B:902,valid,Ki,=,38,nM,COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-],
,,3I4B,,,,,,,
,,,Z48:A:501,valid,Ki,=,7,nM,Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4,
,,,Z48:B:501,valid,Ki,=,7,nM,Cc1cnc(nc1c2cc([nH]c2)C(=O)N[C@H](CO)c3ccccc3)Nc4ccccc4,
,,1Q3D,,,,,,,
,,,STU:A:451,valid,ic50,=,15,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,STU:B:452,valid,ic50,=,15,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,1J1B,,,,,,,
,,,ANP:A:430,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:930,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,1Q3W,,,,,,,
,,,ATU:A:502,valid,ic50,=,4,nM,c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2,
,,,ATU:B:501,valid,ic50,=,4,nM,c1ccc2c(c1)-c3c(c4cc(ccc4[nH]3)[N+](=O)[O-])CC(=O)N2,
,,5KPK,,,,,,,
,,,6VK:B:500,valid,ic50,=,0.005,uM,C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5,
,,,6VK:A:500,valid,ic50,=,0.005,uM,C[C@@]1(c2c([nH]nc2NC3=C1C(=O)CC(C3)(C)C)C4CC4)c5ccccc5,
,,1R0E,,,,,,,
,,,DFN:A:702,valid,,,,,Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O,
,,,DFN:B:501,valid,,,,,Cn1cc(c2c1ccc(c2)F)C3=C(C(=O)NC3=O)c4cccc(c4)NC[C@@H](CO)O,
,,,FLC:A:701,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:601,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,4PTG,,,,,,,
,,,2WG:A:501,valid,ic50,=,5.9,nM,COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N,
,,,2WG:B:501,valid,ic50,=,5.9,nM,COc1c(cnc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N,
,,4ACC,,,,,,,
,,,7YG:A:1387,valid,Ki,=,20,nM,CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N,
,,,7YG:B:1386,valid,Ki,=,20,nM,CN(C)CCNS(=O)(=O)c1ccc(cc1)c2cnc(c(n2)C(=O)Nc3cccnc3)N,
,,,DMS:A:1385,invalid,,,,,CS(=O)C,
,,,DMS:A:1386,invalid,,,,,CS(=O)C,
,,,DMS:B:1385,invalid,,,,,CS(=O)C,
,,6TCU,,,,,,,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,N1Q:A:401,valid,ic50,=,0.018,uM,COCCN1CCC(CC1)CNC(=O)c2c3cc(ccc3[nH]n2)c4cccc(c4F)F,
,,3DU8,,,,,,,
,,,553:A:553,valid,ic50,=,0.146,uM,c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N,
,,,553:B:553,valid,ic50,=,0.146,uM,c1cnc(nc1c2cc3c([nH]2)[C@H](CNC3=O)CCF)N,
,,6AE3,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,MRI:A:501,valid,Kd,=,0.0000666,M,c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,,MRI:B:501,valid,Kd,=,0.0000666,M,c1cc(c(cc1O)O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O,
,,1J1C,,,,,,,
,,,ADP:A:430,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:930,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:431,Part of Protein,,,,,[Mg+2],
,,,MG:B:931,Part of Protein,,,,,[Mg+2],
,,6V6L,,,,,,,
,,,QQA:A:501,valid,ic50,=,8,nM,CN1CCN(C(=O)C1)c2ccc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(c(n4)N)[N+](=O)[OH-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6HK3,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,G8B:B:401,valid,Kd,=,31.4,nM,CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N,
,,,G8B:A:401,valid,Kd,=,31.4,nM,CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4ccccc4OC)N,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:B:405,invalid,,,,,CS(=O)C,
,,,MLI:B:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:402,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GLY SER HIS GLY HIS HIS HIS HIS:N:419,invalid,,,,,,
,,5HLP,,,,,,,
,,,65A:A:501,valid,ic50,=,0.054,uM,Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC,
,,,65A:B:501,valid,ic50,=,0.054,uM,Cc1c2c(c3c(nc2[nH]n1)CC(CC3=O)(C)C)c4ccccc4OC,
,,6Y9S,,,,,,,
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,OHK:A:401,valid,ic50,=,0.072,uM,CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4,
,,,OHK:B:401,valid,ic50,=,0.072,uM,CC(C)Oc1cc(cnc1)c2ccc3cnc(n3c2)C(=O)NCC4CCOCC4,
,,5K5N,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:4002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6QH:A:4001,valid,ic50,=,9,nM,COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3,
,,,6QH:B:401,valid,ic50,=,9,nM,COc1ccc(cc1Cl)c2c(nco2)C(=O)NCCCn3cncn3,
,,6HK4,,,,,,,
,,,DMS:B:406,invalid,,,,,CS(=O)C,
,,,DMS:B:407,invalid,,,,,CS(=O)C,
,,,DMS:A:407,invalid,,,,,CS(=O)C,
,,,DMS:A:405,invalid,,,,,CS(=O)C,
,,,DMS:A:406,invalid,,,,,CS(=O)C,
,,,DMS:B:408,invalid,,,,,CS(=O)C,
,,,MLI:B:401,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:401,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GLY SER HIS GLY HIS HIS HIS HIS HIS:N:419,invalid,,,,,,
,,,G8E:A:408,valid,Kd,=,2.81,nM,c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N,
,,,G8E:B:409,valid,Kd,=,2.81,nM,c1cc(cnc1)NC(=O)c2c(ncc(n2)c3ccc(cc3)S(=O)(=O)N4CCOCC4)N,
,,1Q41,,,,,,,
,,,IXM:A:451,valid,ic50,=,22,nM,c1ccc2c(c1)/C(=C/3C(=NO)c4ccccc4N3)/C(=O)N2,
,,,IXM:B:452,valid,ic50,=,22,nM,c1ccc2c(c1)/C(=C/3C(=NO)c4ccccc4N3)/C(=O)N2,
,Family. Representative Entry is ,6Y9R,,,,,,,
,,,OH8:A:401,valid,ic50,=,0.009,uM,CC(C)Oc1cc(cnc1)c2ccc3c(c2)c(n[nH]3)C(=O)NCC4CCN(CC4)CCOC,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,3F7Z,,,,,,,
,,,34O:A:3000,valid,ic50,=,65,nM,COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4,
,,,34O:B:3000,valid,ic50,=,65,nM,COc1ccc(cc1F)CSc2nnc(o2)c3ccc4c(c3)OCO4,
,,3GB2,,,,,,,
,,,G3B:A:999,valid,ic50,=,34,nM,Cc1nnc(o1)c2ccc3c(c2)c(co3)c4ccc(cc4)[S@@](=O)C,
,Family. Representative Entry is ,4NM5,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,MET PRO PRO PRO PRO TPO PRO ARG SER:C:1569,valid,,,,,P(=O)(OC(C(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(=O)N1C(C(=O)NC(C=O)C)CCC1)C)([O-])[O-],
,,,CL:A:408,invalid,,,,,[Cl-],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NM0,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,invalid,,,,,[Mg+2],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,DTT:A:409,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,ADP:A:408,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NU1,,,,,,,
,,,MG:A:404,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,NO3:A:407,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,AF3:A:406,valid,,,,,F[Al](F)F,
,,,ADP:A:405,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NM3,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,ADP:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,DTT:A:408,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,4NM7,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,CL:A:407,invalid,,,,,[Cl-],
,,,MG:A:405,Part of Protein,,,,,[Mg+2],
,,,MG:A:406,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MET PRO PRO PRO PRO SEP PRO CYS THR:C:1604,valid,,,,,SCC(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C3N(C(=O)C4[NH2+]CCC4)CCC3)CCC2)COP(=O)([O-])[O-])CCC1)C=O,
,,,DTT:A:408,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
6.5.1.3,,,,,,,,,
,Family. Representative Entry is ,5TT6,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2C5U,,,,,,,
,,,APC:A:1375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:1375,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,CA:A:1376,Part of Protein,,,,,[Ca+2],
,,,CA:B:1377,Part of Protein,,,,,[Ca+2],
,,,CA:B:1378,Part of Protein,,,,,[Ca+2],
,,,CA:B:1379,Part of Protein,,,,,[Ca+2],
,,,CL:A:1378,invalid,,,,,[Cl-],
,,,CL:A:1379,invalid,,,,,[Cl-],
,,,CL:B:1380,invalid,,,,,[Cl-],
,,,MG:A:1377,Part of Protein,,,,,[Mg+2],
,,,MG:B:1376,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6TZX,,,,,,,
,,,IDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)O)N=CNC2=O,
,,,PO4:A:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5U32,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,GDP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6U03,,,,,,,
,,,GTP:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TY5,,,,,,,
,,,ADP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PGE:B:1,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6N67,,,,,,,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,APC:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6TZO,,,,,,,
,,,PO4:A:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,DGI:A:901,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,6TZM,,,,,,,
,,,GDP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,6U05,,,,,,,
,,,GDP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,PO4:A:903,invalid,,,,,[O-]P(=O)([O-])[O-],
3.4.24.83,,,,,,,,,
,Family. Representative Entry is ,4DV8,,,,,,,
,,,0LX:A:802,valid,Ki,=,0.58,nM,CO[C@H](C[C@H](CCCCNCc1ccc(cc1)F)C(=O)NO)c2ccc(cc2)F,
,,,MLI:A:803,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,4PKV,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,30R:A:801,valid,ic50,=,5.6,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)CN)[C@H](C)C(=O)NO,
,,4PKT,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,30O:A:801,valid,ic50,=,14.9,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccc(cc2)[N+](=O)[O-])[C@H](C)C(=O)NO,
,,5D1T,,,,,,,
,,,56R:A:802,valid,ic50,=,1.7,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)CN)[C@H](C)C(=O)NO,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,4PKU,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,30P:A:801,valid,ic50,=,30,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccc(c2)N)[C@H](C)C(=O)NO,
,,4PKS,,,,,,,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,30H:A:802,valid,ic50,=,15.2,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2cccnc2)[C@H](C)C(=O)NO,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,4XM6,,,,,,,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,41R:A:801,valid,ic50,=,90,uM,Cc1cc(ccc1F)S(=O)(=O)N(CC(C)C)[C@H](C(C)C)C(=O)NO,
,,4PKW,,,,,,,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,GM6:A:802,valid,ic50,=,22.5,uM,CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)NC,
,,,ZN:A:801,Part of Protein,,,,,[Zn+2],
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,5D1S,,,,,,,
,,,56Q:A:801,valid,ic50,=,9.6,uM,Cc1cc(ccc1F)S(=O)(=O)N(C)[C@H](C)C(=O)NO,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,1YQY,,,,,,,
,,,915:A:782,valid,Ki,=,24,nM,Cc1cc(ccc1F)S(=O)(=O)N[C@H](C2CCOCC2)C(=O)NO,
,,,ZN:A:781,Part of Protein,,,,,[Zn+2],
,,4PKR,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,2ZL:A:801,valid,ic50,=,15.2,uM,Cc1cc(ccc1F)S(=O)(=O)N(Cc2ccccc2)[C@H](C)C(=O)NO,
,,,CL:A:803,invalid,,,,,[Cl-],
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
3.2.1.98,,,,,,,,,
,Family. Representative Entry is ,2D3N,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GLC:A:608,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC:G:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,2D3L,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GLC:A:611,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:621,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,1WPC,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,GAL GLC GLD GLC ACI GLC GLC GLD ACI:C:1,valid,,,,,,
3.1.31.1,,,,,,,,,
,Family. Representative Entry is ,3MEH,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,5NUC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1A3U,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,4WOR,,,,,,,
,,,THP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,1STH,,,,,,,
,,,CO:A:150,Part of Protein,,,,,[Co+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1ENC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3NQT,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1STA,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3PMF,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,6OK8,,,,,,,
,,,THP:A:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,1STY,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1STB,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1TR5,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,THP:A:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1A2U,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3R3O,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3BDC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1NUC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3MXP,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1A2T,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1SYB,,,,,,,
,,,CA:A:190,Part of Protein,,,,,[Ca+2],
,,,THP:A:180,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,2NUC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3MVV,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3OSO,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3MZ5,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1A3T,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,2SNM,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3MHB,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1SYF,,,,,,,
,,,CA:A:190,Part of Protein,,,,,[Ca+2],
,,,THP:A:180,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3D8G,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,2ENB,,,,,,,
,,,THP:A:142,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1SNC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1TT2,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,THP:A:501,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3NUC,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3NXW,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1SNM,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1STG,,,,,,,
,,,CO:A:150,Part of Protein,,,,,[Co+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1AEX,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3NP8,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3D6C,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,2OXP,,,,,,,
,,,THP:A:300,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3DHQ,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1SYD,,,,,,,
,,,CA:A:190,Part of Protein,,,,,[Ca+2],
,,,THP:A:180,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,3NK9,,,,,,,
,,,CA:A:151,Part of Protein,,,,,[Ca+2],
,,,THP:A:150,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
,,1A3V,,,,,,,
,,,CA:A:150,Part of Protein,,,,,[Ca+2],
,,,THP:A:151,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O,
2.3.1.101,,,,,,,,,
,Family. Representative Entry is ,2FHK,,,,,,,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,K:A:708,Part of Protein,,,,,[K+],
,,,K:A:711,Part of Protein,,,,,[K+],
,,,K:A:716,Part of Protein,,,,,[K+],
,,,K:B:704,Part of Protein,,,,,[K+],
,,,K:B:706,Part of Protein,,,,,[K+],
,,,K:B:709,Part of Protein,,,,,[K+],
,,,K:B:713,Part of Protein,,,,,[K+],
,,,K:B:717,Part of Protein,,,,,[K+],
,,,K:C:702,Part of Protein,,,,,[K+],
,,,K:C:705,Part of Protein,,,,,[K+],
,,,K:C:710,Part of Protein,,,,,[K+],
,,,K:C:714,Part of Protein,,,,,[K+],
,,,K:D:703,Part of Protein,,,,,[K+],
,,,K:D:707,Part of Protein,,,,,[K+],
,,,K:D:712,Part of Protein,,,,,[K+],
,,,K:D:715,Part of Protein,,,,,[K+],
,,,K:D:718,Part of Protein,,,,,[K+],
,,,MFN:A:600,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,MFN:B:602,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,MFN:C:601,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,Family. Representative Entry is ,2FHJ,,,,,,,
,,,H4Z:A:905,valid,,,,,CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O,
,,,H4Z:C:904,valid,,,,,CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O,
,,,K:A:312,Part of Protein,,,,,[K+],
,,,K:A:313,Part of Protein,,,,,[K+],
,,,K:A:315,Part of Protein,,,,,[K+],
,,,K:A:316,Part of Protein,,,,,[K+],
,,,K:B:317,Part of Protein,,,,,[K+],
,,,K:B:319,Part of Protein,,,,,[K+],
,,,K:B:322,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,,K:C:303,Part of Protein,,,,,[K+],
,,,K:C:306,Part of Protein,,,,,[K+],
,,,K:C:309,Part of Protein,,,,,[K+],
,,,K:C:506,Part of Protein,,,,,[K+],
,,,K:D:500,Part of Protein,,,,,[K+],
,,,K:D:501,Part of Protein,,,,,[K+],
,,,K:D:502,Part of Protein,,,,,[K+],
,,,K:D:503,Part of Protein,,,,,[K+],
,,,MFN:A:900,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,MFN:A:902,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,MFN:C:901,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,MFN:D:903,valid,,,,,c1cc(ccc1CCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@H]([C@H](CCC(=O)O)C(=O)O)C(=O)O)OCc2cc(oc2)CNC=O,
,,,PE3:C:3792,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE4:A:922,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:D:920,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:D:921,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
2.7.11.15,,,,,,,,,
,Family. Representative Entry is ,6U7C,,,,,,,
,,,Q1Y:A:701,valid,ic50,=,0.018,uM,c1ccc2c(c1)c([nH]n2)CNC(=O)c3cc(ccc3F)[C@@H]4CCNC[C@H]4COc5ccc6c(c5)OCO6,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,3PVW,,,,,,,
,,,QRX:A:800,valid,ic50,=,54,nM,CCCn1c(nnc1c2ccncn2)CNc3cccc(c3)C(=O)NCc4c(cccc4F)F,
,,5WG4,,,,,,,
,,,AFV:A:701,valid,,,,,c1ccnc(c1)CNC(=O)c2cc(ccc2F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)cn[nH]5,
,,3PVU,,,,,,,
,,,QRW:A:800,valid,ic50,=,290,nM,Cn1c(nnc1c2ccncc2)CNc3cccc(c3)C(=O)NCc4ccccc4C(F)(F)F,
,,3V5W,,,,,,,
,,,8PR:A:701,valid,ic50,=,3.16,uM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5UKL,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,SIX:A:702,valid,ic50,=,0.63,uM,c1cc(c(cc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)CC(=O)NCCc5c[nH]nc5)F,
,,4MK0,,,,,,,
,,,29X:A:702,valid,ic50,=,6.3,uM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)C=NC4=O)F,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
3.6.1.11,,,,,,,,,
,Family. Representative Entry is ,2QB8,,,,,,,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
2.7.1.162,,,,,,,,,
,Family. Representative Entry is ,4OCJ,,,,,,,
,,,NDG:A:401,valid,Kd,=,20.4,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,4OCO,,,,,,,
,,,GN1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,4OCK,,,,,,,
,,,NDG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4WH3,,,,,,,
,,,ACY:A:410,invalid,,,,,CC(=O)O,
,,,ACY:A:409,invalid,,,,,CC(=O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,4OCQ,,,,,,,
,,,A2G:A:401,valid,Kd,=,24.7,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,4WH2,,,,,,,
,,,ACY:A:408,invalid,,,,,CC(=O)O,
,,,ACY:A:406,invalid,,,,,CC(=O)O,
,,,ACY:A:407,invalid,,,,,CC(=O)O,
,,,ACY:A:404,invalid,,,,,CC(=O)O,
,,,ACY:A:405,invalid,,,,,CC(=O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4OCP,,,,,,,
,,,GN1:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,4OCU,,,,,,,
,,,NDG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4OCV,,,,,,,
,,,NDG:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
1.6.6.1,,,,,,,,,
,Family. Representative Entry is ,2CND,,,,,,,
,,,FAD:A:271,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
3.6.1.-,,,,,,,,,
,Family. Representative Entry is ,3A6T,,,,,,,
,,,8OG:A:134,valid,Kd,=,52,nM,C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)COP(=O)(O)O)O,
,,,NA:A:131,Part of Protein,,,,,[Na+],
,,,SO4:A:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:133,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC FRU:B:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6VCQ,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GTP:A:201,valid,ic50,=,1578,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4S2X,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,APC G   U  :B:1,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1C(O)C(n2c3ncnc(N)c3nc2)OC1COP(=O)([O-])CP(OP(=O)([O-])[O-])(=O)[O-])[O-],
,,4S2Y,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,MG:B:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,APC G   U  :B:1,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)(OC1C(O)C(n2c3ncnc(N)c3nc2)OC1COP(=O)([O-])CP(OP(=O)([O-])[O-])(=O)[O-])[O-],
,,6VCR,,,,,,,
,,,CTP:A:201,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:203,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:202,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,PPV:A:204,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VCO,,,,,,,
,,,APC:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,6VCN,,,,,,,
,,,G2P:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VCP,,,,,,,
,,,UTP:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:202,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2C9O,,,,,,,
,,,ADP:A:1450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1449,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2XAU,,,,,,,
,,,ACT:A:1753,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1751,invalid,,,,,CC(=O)[O-],
,,,ADP:A:1750,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1748,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1754,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1752,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1751,Part of Protein,,,,,[Mg+2],
,,,MG:B:1749,Part of Protein,,,,,[Mg+2],
,,,NI:A:1752,Part of Protein,,,,,[Ni+2],
,,,NI:B:1750,Part of Protein,,,,,[Ni+2],
,,3KX2,,,,,,,
,,,ADP:A:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1000,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2PL3,,,,,,,
,,,ADP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EOH:A:400,invalid,,,,,CCO,
,,,EOH:A:401,invalid,,,,,CCO,
,,,EOH:A:402,invalid,,,,,CCO,
,,,EOH:A:403,invalid,,,,,CCO,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1OYY,,,,,,,
,,,AGS:A:527,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MN:A:525,Part of Protein,,,,,[Mn+2],
,,,MN:A:526,Part of Protein,,,,,[Mn+2],
,,,ZN:A:524,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2FFQ,,,,,,,
,,,GSP:A:355,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:356,Part of Protein,,,,,[Mg+2],
,,2FE4,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,2E9S,,,,,,,
,,,GDP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:702,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,4BR5,,,,,,,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1502,invalid,,,,,[Zn+2],
,,,ANP:A:1501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4BR2,,,,,,,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1508,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1502,invalid,,,,,[Ca+2],
,,,UNP:A:1501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O,
,,3CJ7,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4BR0,,,,,,,
,,,GOL:A:1468,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1467,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1466,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1464,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1465,invalid,,,,,C(C(CO)O)O,
,,,CA:A:1463,invalid,,,,,[Ca+2],
,,,AU1:A:1462,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)O)O)O)O)N,
,,4CD3,,,,,,,
,,,8E9:A:1463,valid,,,,,Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O,
,,,8E9:A:1462,valid,,,,,Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O,
,,,GOL:A:1464,invalid,,,,,C(C(CO)O)O,
,,3CJ9,,,,,,,
,,,AMP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4BQZ,,,,,,,
,,,MG:A:1463,invalid,,,,,[Mg+2],
,,,GOL:A:1466,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1464,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1465,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:1462,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,3CJA,,,,,,,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,CA:A:502,invalid,,,,,[Ca+2],
,,4CD1,,,,,,,
,,,8E9:A:1453,valid,,,,,Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O,
,,,8E9:A:1452,valid,,,,,Cc1cccc(c1)Nc2cc(c(c3c2C(=O)c4ccccc4C3=O)N)S(=O)(=O)O,
,Family. Representative Entry is ,2ZJ5,,,,,,,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1SU2,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:205,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:206,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,invalid,,,,,[Mg+2],
,,,MG:B:203,invalid,,,,,[Mg+2],
,,,ATP:A:357,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:257,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1SZ3,,,,,,,
,,,GNP:A:2030,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:3030,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2RCN,,,,,,,
,,,GDP:A:600,valid,Kd,=,1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:360,Part of Protein,,,,,[Mg+2],
,,,ZN:A:359,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6MW7,,,,,,,
,,,NA:C:604,invalid,,,,,[Na+],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:C:603,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,ATP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6WUG,,,,,,,
,,,UBG:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,CSS:A:182,invalid,,,,,C([C@@H](C(=O)O)N)SS,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,6WUI,,,,,,,
,,,UBG:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)OP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3BER,,,,,,,
,,,AMP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PGE:A:400,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:401,invalid,,,,,C(COCCOCCO)O,
,,,PO4:A:350,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,2A8T,,,,,,,
,,,MGT ADN:A:251,valid,,,,,,
,,,MGT ADN:B:251,valid,,,,,,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:305,Part of Protein,,,,,[Mn+2],
,,,MN:B:306,Part of Protein,,,,,[Mn+2],
,,2A8S,,,,,,,
,,,GTP:A:250,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:251,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:305,Part of Protein,,,,,[Mn+2],
,,,MN:B:306,Part of Protein,,,,,[Mn+2],
,,,MN:B:307,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2I8T,,,,,,,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,GDD:A:820,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:700,invalid,,,,,C(C(CO)O)O,
,,2I8U,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,GDP:A:820,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:800,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3B7G,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2Q7T,,,,,,,
,,,MG:A:5001,Part of Protein,,,,,[Mg+2],
,,,MG:B:5002,Part of Protein,,,,,[Mg+2],
,,,TMP:B:2001,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O,
,Family. Representative Entry is ,1VHZ,,,,,,,
,,,APR:A:197,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,2GK6,,,,,,,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1820,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1000,Part of Protein,,,,,[Mg+2],
,,,MG:B:2000,Part of Protein,,,,,[Mg+2],
,,,PO4:A:990,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1990,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3DKP,,,,,,,
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,MG:A:401,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2IS6,,,,,,,
,,,ADP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,MG:A:681,Part of Protein,,,,,[Mg+2],
,,,MG:B:681,Part of Protein,,,,,[Mg+2],
,,,MGF:B:701,invalid,,,,,F[Mg-](F)F,
,,,MGF ADP:A:699,invalid,,,,,,
,Family. Representative Entry is ,2YVO,,,,,,,
,,,AMP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,2YVP,,,,,,,
,,,MG:A:183,Part of Protein,,,,,[Mg+2],
,,,MG:A:184,Part of Protein,,,,,[Mg+2],
,,,MG:A:185,Part of Protein,,,,,[Mg+2],
,,,RBY:A:186,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OCC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N,
,Family. Representative Entry is ,2O1C,,,,,,,
,,,PPV:A:163,valid,Ki,=,19,uM,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:165,valid,Ki,=,19,uM,OP(=O)(O)OP(=O)(O)O,
,,,PPV:C:163,valid,Ki,=,19,uM,OP(=O)(O)OP(=O)(O)O,
,,,SO4:A:164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:164,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3IUY,,,,,,,
,,,AMP:A:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:160,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:1,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3O61,,,,,,,
,,,CL:C:240,invalid,,,,,[Cl-],
,,,GDD:A:3846,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:3846,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:C:3846,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:D:3846,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:C:230,Part of Protein,,,,,[Na+],
,,3O52,,,,,,,
,,,CL:C:192,invalid,,,,,[Cl-],
,,,CL:D:7113,invalid,,,,,[Cl-],
,,,CL:D:7114,invalid,,,,,[Cl-],
,,,CL:E:7112,invalid,,,,,[Cl-],
,,,NA:A:7113,Part of Protein,,,,,[Na+],
,,,NA:A:7114,Part of Protein,,,,,[Na+],
,,,NA:B:7111,Part of Protein,,,,,[Na+],
,,,NA:D:7111,Part of Protein,,,,,[Na+],
,,,NA:D:7112,Part of Protein,,,,,[Na+],
,,,NA:E:7111,Part of Protein,,,,,[Na+],
,,,TAR:A:7110,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:A:7112,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:B:7110,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:C:7110,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:D:7110,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,TAR:E:7110,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,2V1X,,,,,,,
,,,ADP MG:A:1593,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ADP MG:B:1593,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,CL:A:1596,invalid,,,,,[Cl-],
,,,CL:A:1597,invalid,,,,,[Cl-],
,,,CL:A:1598,invalid,,,,,[Cl-],
,,,CL:A:1599,invalid,,,,,[Cl-],
,,,CL:B:1596,invalid,,,,,[Cl-],
,,,CL:B:1597,invalid,,,,,[Cl-],
,,,CL:B:1598,invalid,,,,,[Cl-],
,,,CL:B:1599,invalid,,,,,[Cl-],
,,,CL:B:1600,invalid,,,,,[Cl-],
,,,EDO:B:1601,invalid,,,,,C(CO)O,
,,,EDO:B:1602,invalid,,,,,C(CO)O,
,,,ZN:A:1595,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1595,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1RYA,,,,,,,
,,,CL:B:1003,invalid,,,,,[Cl-],
,,,GDP:A:770,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:771,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,TRS:A:870,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:871,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2GT4,,,,,,,
,,,BMA:B:202,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:C:202,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GDD:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,GDD:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
2.4.2.31,,,,,,,,,
,Family. Representative Entry is ,4H03,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:B:427,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:426,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:424,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LAR:B:403,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4H0V,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LAR:B:403,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4H0Y,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:B:427,invalid,,,,,C(CO)O,
,,,EDO:A:525,invalid,,,,,C(CO)O,
,,,EDO:B:426,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:519,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:521,invalid,,,,,C(CO)O,
,,,EDO:B:424,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:425,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:420,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:B:421,invalid,,,,,C(CO)O,
,,,EDO:A:524,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:523,invalid,,,,,C(CO)O,
,,,EDO:A:527,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:422,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:514,invalid,,,,,C(CO)O,
,,,EDO:B:419,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:423,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:418,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,EDO:A:522,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:B:417,invalid,,,,,C(CO)O,
,,,EDO:A:528,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,LAR:B:403,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4H0T,,,,,,,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CA:B:402,invalid,,,,,[Ca+2],
,,,AR6:B:401,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,ATP:B:404,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAR:B:403,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,,4H0X,,,,,,,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:B:416,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CA:B:401,invalid,,,,,[Ca+2],
,,,ATP:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LAR:B:403,valid,,,,,C[C@H]/1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)/C=C(CC/C=C/C=C1)/C,
,Family. Representative Entry is ,5EWK,,,,,,,
,,,P34:A:301,valid,Kd,=,14,uM,CN(C)CC(=O)Nc1ccc2c(c1)-c3ccccc3C(=O)N2,
,,5EWY,,,,,,,
,,,5TQ:A:301,valid,Kd,=,50,uM,c1cc2c(cc1F)C(=O)NC3=C2CN(CC3)CCCC(=O)O,
,,5TLB,,,,,,,
,,,NAI:A:301,valid,Kd,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,Family. Representative Entry is ,1OG1,,,,,,,
,,,TAD:A:1227,valid,,,,,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,1GXZ,,,,,,,
,,,BRT:A:1227,valid,,,,,c1c(cncc1Br)C(=O)N,
,,,BRT:B:1227,valid,,,,,c1c(cncc1Br)C(=O)N,
,Family. Representative Entry is ,4YC0,,,,,,,
,,,5OF:A:301,valid,Ki,=,74,uM,c1ccc2c(c1)C(=NNC2=O)CC(=O)O,
,,4XZJ,,,,,,,
,,,NAD:A:700,valid,Kd,=,95,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
3.7.1.9,,,,,,,,,
,Family. Representative Entry is ,1IUP,,,,,,,
,,,ALQ:A:1300,valid,Ki,=,2.9,mM,CC(C)C(=O)O,
,,,ALQ:A:1301,valid,Ki,=,2.9,mM,CC(C)C(=O)O,
,,,ALQ:A:1302,valid,Ki,=,2.9,mM,CC(C)C(=O)O,
,,1UK8,,,,,,,
,,,LEA:A:1300,valid,,,,,CCCCC(=O)O,
,,,LEA:A:1301,valid,,,,,CCCCC(=O)O,
,,1UK6,,,,,,,
,,,PPI:A:1300,valid,,,,,CCC(=O)O,
,,,PPI:A:1301,valid,,,,,CCC(=O)O,
,,1UKA,,,,,,,
,,,SMB:A:1300,valid,,,,,CC[C@H](C)C(=O)O,
,,1UK9,,,,,,,
,,,IVA:A:1300,valid,,,,,CC(C)CC(=O)O,
,,1UK7,,,,,,,
,,,BUA:A:1300,valid,,,,,CCCC(=O)O,
,,1UKB,,,,,,,
,,,BEZ:A:1300,valid,Ki,=,0.65,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1301,valid,Ki,=,0.65,mM,c1ccc(cc1)C(=O)O,
,,,BEZ:A:1302,valid,Ki,=,0.65,mM,c1ccc(cc1)C(=O)O,
1.1.1.205,,,,,,,,,
,Family. Representative Entry is ,4Z87,,,,,,,
,,,GDP:B:603,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:603,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:602,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:601,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:602,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:604,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:604,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:602,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:603,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:602,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:603,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:604,valid,Ki,=,210,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:C:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:C:607,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,K:C:605,Part of Protein,,,,,[K+],
,,,K:B:605,Part of Protein,,,,,[K+],
,,,K:D:604,Part of Protein,,,,,[K+],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,5GP:C:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5MCP,,,,,,,
,,,ATP:C:603,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:602,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:606,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:602,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:601,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:605,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:F:602,invalid,,,,,[Mg+2],
,,,MG: E:604,invalid,,,,,[Mg+2],
,,,MG:C:605,invalid,,,,,[Mg+2],
,,,MG:D:604,invalid,,,,,[Mg+2],
,,,MG:G:604,invalid,,,,,[Mg+2],
,,,MG:E:604,invalid,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:C:604,invalid,,,,,[Mg+2],
,,6RPU,,,,,,,
,,,GDP:A:602,invalid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,G5P:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N,
,,5TC3,,,,,,,
,,,GDP:B:603,invalid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:602,invalid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,5GP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1PVN,,,,,,,
,,,K:A:981,Part of Protein,,,,,[K+],
,,,K:A:987,Part of Protein,,,,,[K+],
,,,K:A:988,Part of Protein,,,,,[K+],
,,,K:B:982,Part of Protein,,,,,[K+],
,,,K:B:986,Part of Protein,,,,,[K+],
,,,K:C:984,Part of Protein,,,,,[K+],
,,,K:C:985,Part of Protein,,,,,[K+],
,,,K:D:983,Part of Protein,,,,,[K+],
,,,MZP:A:971,valid,Ki,=,0.15,nM,c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N,
,,,MZP:B:972,valid,Ki,=,0.15,nM,c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N,
,,,MZP:C:973,valid,Ki,=,0.15,nM,c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N,
,,,MZP:D:974,valid,Ki,=,0.15,nM,c1[nH+]c(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)[O-])C(=O)N,
,,,TRS:A:993,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:996,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:991,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:994,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:992,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:995,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,1LRT,,,,,,,
,,,BOG:A:751,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:752,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,IMP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:803,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:D:804,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:1,Part of Protein,,,,,[K+],
,,,K:B:1,Part of Protein,,,,,[K+],
,,,K:C:1,Part of Protein,,,,,[K+],
,,,K:D:1,Part of Protein,,,,,[K+],
,,,TAD:A:901,valid,Ki,=,2.3,uM,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:B:902,valid,Ki,=,2.3,uM,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:C:903,valid,Ki,=,2.3,uM,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TAD:D:904,valid,Ki,=,2.3,uM,c1c(nc(s1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(C[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)O)C(=O)N,
,,,TRS:A:600,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:601,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:607,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:610,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:603,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:608,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:611,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:602,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:605,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:604,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:606,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:609,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,5AHN,,,,,,,
,,,MG:A:1469,Part of Protein,,,,,[Mg+2],
,,,MG:A:1470,invalid,,,,,[Mg+2],
,,,IMP:A:1468,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,Family. Representative Entry is ,1ME8,,,,,,,
,,,K:A:900,Part of Protein,,,,,[K+],
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,RVP:A:602,valid,Ki,=,65,nM,c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,1MEI,,,,,,,
,,,K:A:900,Part of Protein,,,,,[K+],
,,,MOA:A:600,valid,,,,,Cc1c2c(c(c(c1OC)CC=C(/C)CCC(=O)O)O)C(=O)OC2,
,,,XMP:A:602,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,1ME9,,,,,,,
,,,IMP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:900,Part of Protein,,,,,[K+],
,,1MEW,,,,,,,
,,,K:A:900,Part of Protein,,,,,[K+],
,,,NAD:A:987,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,XMP:A:602,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,,1ME7,,,,,,,
,,,K:A:900,Part of Protein,,,,,[K+],
,,,MOA:A:600,valid,,,,,Cc1c2c(c(c(c1OC)CC=C(/C)CCC(=O)O)O)C(=O)OC2,
,,,NA:A:901,Part of Protein,,,,,[Na+],
,,,RVP:A:602,valid,Ki,=,65,nM,c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N,
,,1MEH,,,,,,,
,,,IMP:A:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:900,Part of Protein,,,,,[K+],
,,,MOA:A:600,valid,,,,,Cc1c2c(c(c(c1OC)CC=C(/C)CCC(=O)O)O)C(=O)OC2,
,Family. Representative Entry is ,5J5R,,,,,,,
,,,IMP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,6G1:A:401,valid,Ki,=,130,nM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCC4,
,,6D4V,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWM:A:402,valid,ic50,=,0.23,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)CC4CCCCC4,
,,5OU3,,,,,,,
,,,IMP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,AUN:A:401,valid,Ki,=,0.61,uM,C[C@@H](C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C,
,,6D4R,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWY:A:402,valid,ic50,=,1.1,uM,c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4,
,,6D4T,,,,,,,
,,,FWS:A:402,valid,ic50,=,0.12,uM,C[C@H]1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,5OU1,,,,,,,
,,,AUQ:A:502,valid,Ki,=,0.86,uM,C[C@@H](C(=O)Nc1ccc(cc1)I)Oc2ccc(cc2)OC,
,,,IMP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,5K4Z,,,,,,,
,,,6Q8:A:402,valid,Kd,=,0.7,uM,Cc1c(c([nH]c1C(=O)Nc2ccc(cc2)F)C)S(=O)(=O)Nc3ccc4c[nH]nc4c3,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,5OU2,,,,,,,
,,,36Y:A:502,valid,Ki,=,609,uM,c1cc(ccc1c2c[nH]cn2)Br,
,,,36Y:A:503,valid,Ki,=,609,uM,c1cc(ccc1c2c[nH]cn2)Br,
,,,IMP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,6D4S,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWV:A:402,valid,ic50,=,0.9,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl,
,,6D4U,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWP:A:402,valid,ic50,=,1.98,uM,COc1ccc(c(c1)OC)CC(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4,
,,5K4X,,,,,,,
,,,IMP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,6Q9:A:401,valid,ic50,=,0.38,uM,Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2,
,,6D4Q,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWG:A:402,valid,ic50,=,0.83,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)C4CCCCCC4,
,,6D4W,,,,,,,
,,,IMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,FWJ:A:402,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)Cc4ccc(cc4)F,
,Family. Representative Entry is ,4AF0,,,,,,,
,,,IMP:A:1527,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1527,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MOA:A:1526,valid,Ki,=,198,nM,Cc1c2c(c(c(c1OC)CC=C(/C)CCC(=O)O)O)C(=O)OC2,
,,,MOA:B:1526,valid,Ki,=,198,nM,Cc1c2c(c(c(c1OC)CC=C(/C)CCC(=O)O)O)C(=O)OC2,
,,,SO4:B:1528,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1529,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4ZQO,,,,,,,
,,,PGO:A:605,invalid,,,,,C[C@@H](CO)O,
,,,Q67:A:602,valid,Ki,=,14,nM,C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Nc4cccc(c4Cl)Cl,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,IMP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:603,Part of Protein,,,,,[K+],
,,4ZQN,,,,,,,
,,,4QO:A:602,valid,Ki,=,17,nM,CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)C(=O)N(C)C)Cl,
,,,IMP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,4ZQP,,,,,,,
,,,KP3:A:602,valid,Ki,=,1580,nM,Cc1c2c(c(c(c1OC)C/C=C(C)/Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2,
,,,PGO:A:606,invalid,,,,,C[C@@H](CO)O,
,,,PO4:A:604,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,IMP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,K:A:603,Part of Protein,,,,,[K+],
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,4ZQM,,,,,,,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,XMP:A:601,valid,,,,,c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NC(=O)NC2=O,
,Family. Representative Entry is ,4IXH,,,,,,,
,,,IMP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,Q21:A:504,valid,ic50,=,6.1,nM,C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5,
,,,Q21:C:502,valid,ic50,=,6.1,nM,C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5,
,,,Q21:B:501,valid,ic50,=,6.1,nM,C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5,
,,,Q21:B:503,valid,ic50,=,6.1,nM,C[C@@H](C(=O)Nc1ccc2c(c1)nc(o2)c3ccncc3)Oc4cccc5c4cccc5,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5AHM,,,,,,,
,,,IMP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,PO4:B:1490,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1489,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1489,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1488,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1488,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4Z0G,,,,,,,
,,,5GP:A:601,valid,Ki,=,600,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:600,valid,Ki,=,600,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:600,valid,Ki,=,600,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:601,valid,Ki,=,600,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,K:A:602,Part of Protein,,,,,[K+],
,,,K:B:602,Part of Protein,,,,,[K+],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,4XTI,,,,,,,
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,IMP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,4XTD,,,,,,,
,,,IMP:A:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,Family. Representative Entry is ,1ZFJ,,,,,,,
,,,IMP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
2.7.1.33,,,,,,,,,
,Family. Representative Entry is ,1ESM,,,,,,,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:404,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:402,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3BF1,,,,,,,
,,,ADP:A:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:247,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PAU:A:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:B:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:C:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:D:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:E:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:F:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,3BEX,,,,,,,
,,,PAU:A:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:B:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:C:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:D:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:E:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:F:248,valid,Kd,=,2.7,uM,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PO4:A:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:247,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3BF3,,,,,,,
,,,MG:A:247,Part of Protein,,,,,[Mg+2],
,,,MG:B:247,Part of Protein,,,,,[Mg+2],
,,,PAZ:A:248,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:B:248,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:C:247,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:D:247,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:E:247,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,PAZ:F:247,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,Family. Representative Entry is ,6B3V,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,7DQ:A:505,valid,Kd,=,203,pM,CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N,
,,5KPZ,,,,,,,
,,,PAZ:A:401,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,2I7P,,,,,,,
,,,ACO:A:1604,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1704,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1804,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1904,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3MK6,,,,,,,
,,,ACO:A:1901,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1902,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:1903,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:1904,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:370,invalid,,,,,C(C(CO)O)O,
,,5KPT,,,,,,,
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,5KPR,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,PAU:A:404,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,ANP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5KQ8,,,,,,,
,,,AN2:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(N)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5JIC,,,,,,,
,,,N7E:A:303,valid,ic50,=,0.13,uM,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCCCCOC)O,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ADP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NB4,,,,,,,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:F:304,Part of Protein,,,,,[Mg+2],
,,,MG:F:304,invalid,,,,,[Mg+2],
,,,MG:H:303,invalid,,,,,[Mg+2],
,,,MG:H:303,invalid,,,,,[Mg+2],
,,,MG:C:304,invalid,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:E:302,invalid,,,,,[Mg+2],
,,,MG:G:303,invalid,,,,,[Mg+2],
,,,MG:G:303,invalid,,,,,[Mg+2],
,,,SH3:C:302,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:F:303,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:H:302,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:C:303,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:A:302,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:F:302,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:G:302,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH3:A:303,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,5ELZ,,,,,,,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,ADP 3V9:A:301,valid,ic50,=,0.46,uM,,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,2EWS,,,,,,,
,,,ANP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:503,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4BFW,,,,,,,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZVW:B:501,valid,ic50,=,0.05,uM,C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F,
,,,ZVW:A:501,valid,ic50,=,0.05,uM,C[C@@H](c1nnc(n1Cc2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F,
,,4BFU,,,,,,,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZVU:A:501,valid,ic50,=,0.15,uM,C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F,
,,,ZVU:B:501,valid,ic50,=,0.15,uM,C[C@@H](c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F,
,,2GET,,,,,,,
,,,COK:A:401,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,4BFZ,,,,,,,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZVZ:A:501,valid,ic50,=,0.55,uM,CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N,
,,,ZVZ:B:501,valid,ic50,=,0.55,uM,CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3)c4ccc(cc4)C#N,
,,3AF1,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,FLC:A:314,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GDP:A:313,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:326,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:328,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:329,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:330,invalid,,,,,C(C(CO)O)O,
,,3AF2,,,,,,,
,,,ACP:A:313,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GOL:A:314,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,3AEZ,,,,,,,
,,,GDP:A:313,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:325,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:326,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,NA:A:328,Part of Protein,,,,,[Na+],
,,,PAZ:A:314,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,4BFV,,,,,,,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZVV:A:501,valid,ic50,=,0.14,uM,Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F,
,,,ZVV:B:501,valid,ic50,=,0.14,uM,Cc1ccccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc3C(F)(F)F,
,,2ZSD,,,,,,,
,,,COA:A:650,valid,Ka,=,212000,M^-1,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:651,valid,Ka,=,212000,M^-1,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:710,invalid,,,,,C(CO)O,
,,,EDO:A:711,invalid,,,,,C(CO)O,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:A:713,invalid,,,,,C(CO)O,
,,,EDO:A:714,invalid,,,,,C(CO)O,
,,,GOL:A:700,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,3AF3,,,,,,,
,,,GCP:A:313,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,PAU:A:314,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,4BFT,,,,,,,
,,,ZVT:A:501,valid,ic50,=,1.13,uM,C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl,
,,,ZVT:B:501,valid,ic50,=,1.13,uM,C[C@@H](c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc3Cl,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2ZSE,,,,,,,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,EDO:A:900,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,FLC:A:650,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,NA:A:950,Part of Protein,,,,,[Na+],
,,,NA:A:951,Part of Protein,,,,,[Na+],
,,,PAU:A:600,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,2ZSA,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,GOL:A:720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:721,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:722,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:723,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:724,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:725,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:726,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:727,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:728,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:729,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:730,invalid,,,,,C(C(CO)O)O,
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,PAZ:A:801,valid,,,,,CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O,
,,4BFY,,,,,,,
,,,ZVY:A:501,valid,ic50,=,0.12,uM,c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O,
,,,ZVY:B:501,valid,ic50,=,0.12,uM,c1ccnc(c1)N2CCN(CC2)Cc3cc(ccc3c4ccc(cc4)C#N)OCC(=O)O,
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3AF0,,,,,,,
,,,CL:A:315,invalid,,,,,[Cl-],
,,,GDP:A:313,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:316,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:317,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:318,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:319,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:320,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:321,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:322,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,PAU:A:314,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,2GEV,,,,,,,
,,,COK:A:401,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:5080,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2GES,,,,,,,
,,,COK:A:401,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSSCCO)O,
,Family. Representative Entry is ,1SQ5,,,,,,,
,,,ADP:A:5001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:5002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:5003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:5004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PAU:A:6001,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:B:6003,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:C:6002,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:D:6004,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,Family. Representative Entry is ,2F9W,,,,,,,
,,,EDO:A:4001,invalid,,,,,C(CO)O,
,,,EDO:B:4002,invalid,,,,,C(CO)O,
,,,GOL:B:5002,invalid,,,,,C(C(CO)O)O,
,,,PAU:A:6001,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,,,PAU:A:6002,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O,
,Family. Representative Entry is ,4NE2,,,,,,,
,,,SH2:A:402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,SH2:B:402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCc1ccc2c(c1)OCO2)O,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,4GI7,,,,,,,
,,,UNX:F:1404,invalid,,,,,*,
,,,UNX:A:1404,invalid,,,,,*,
,,,UNX:C:1405,invalid,,,,,*,
,,,UNX:F:1403,invalid,,,,,*,
,,,UNX:H:1405,invalid,,,,,*,
,,,UNX:A:1403,invalid,,,,,*,
,,,UNX:D:1410,invalid,,,,,*,
,,,UNX:F:1406,invalid,,,,,*,
,,,UNX:F:1405,invalid,,,,,*,
,,,UNX:H:1404,invalid,,,,,*,
,,,UNX:C:1403,invalid,,,,,*,
,,,UNX:E:1402,invalid,,,,,*,
,,,UNX:C:1408,invalid,,,,,*,
,,,UNX:D:1404,invalid,,,,,*,
,,,UNX:F:1407,invalid,,,,,*,
,,,UNX:B:1403,invalid,,,,,*,
,,,UNX:H:1402,invalid,,,,,*,
,,,UNX:B:1406,invalid,,,,,*,
,,,UNX:D:1409,invalid,,,,,*,
,,,UNX:C:1407,invalid,,,,,*,
,,,UNX:C:1409,invalid,,,,,*,
,,,UNX:D:1405,invalid,,,,,*,
,,,UNX:E:1403,invalid,,,,,*,
,,,UNX:G:1405,invalid,,,,,*,
,,,UNX:H:1403,invalid,,,,,*,
,,,UNX:D:1407,invalid,,,,,*,
,,,UNX:C:1404,invalid,,,,,*,
,,,UNX:D:1403,invalid,,,,,*,
,,,UNX:A:1406,invalid,,,,,*,
,,,UNX:G:1406,invalid,,,,,*,
,,,UNX:G:1407,invalid,,,,,*,
,,,UNX:A:1405,invalid,,,,,*,
,,,UNX:F:1409,invalid,,,,,*,
,,,UNX:G:1408,invalid,,,,,*,
,,,UNX:D:1406,invalid,,,,,*,
,,,UNX:C:1406,invalid,,,,,*,
,,,UNX:D:1408,invalid,,,,,*,
,,,UNX:F:1408,invalid,,,,,*,
,,,UNX:G:1404,invalid,,,,,*,
,,,UNX:B:1407,invalid,,,,,*,
,,,UNX:B:1405,invalid,,,,,*,
,,,UNX:E:1404,invalid,,,,,*,
,,,UNX:G:1403,invalid,,,,,*,
,,,UNX:G:1402,invalid,,,,,*,
,,,UNX:B:1404,invalid,,,,,*,
,,,ADP:F:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,0JR:D:1402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O,
,,,0JR:B:1402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O,
,,,0JR:A:1402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O,
,,,0JR:C:1402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O,
,,,0JR:F:1402,valid,,,,,CC(C)(CO)[C@H](C(=O)NCCC(=O)NCc1cccnc1)O,
,,4F7W,,,,,,,
,,,UNX:F:1404,invalid,,,,,*,
,,,UNX:C:1405,invalid,,,,,*,
,,,UNX:F:1403,invalid,,,,,*,
,,,UNX:H:1405,invalid,,,,,*,
,,,UNX:A:1403,invalid,,,,,*,
,,,UNX:D:1410,invalid,,,,,*,
,,,UNX:F:1406,invalid,,,,,*,
,,,UNX:H:1404,invalid,,,,,*,
,,,UNX:F:1405,invalid,,,,,*,
,,,UNX:C:1403,invalid,,,,,*,
,,,UNX:C:1408,invalid,,,,,*,
,,,UNX:B:1409,invalid,,,,,*,
,,,UNX:D:1404,invalid,,,,,*,
,,,UNX:F:1407,invalid,,,,,*,
,,,UNX:B:1403,invalid,,,,,*,
,,,UNX:H:1402,invalid,,,,,*,
,,,UNX:B:1406,invalid,,,,,*,
,,,UNX:C:1407,invalid,,,,,*,
,,,UNX:D:1409,invalid,,,,,*,
,,,UNX:C:1409,invalid,,,,,*,
,,,UNX:D:1405,invalid,,,,,*,
,,,UNX:G:1405,invalid,,,,,*,
,,,UNX:H:1403,invalid,,,,,*,
,,,UNX:D:1407,invalid,,,,,*,
,,,UNX:C:1404,invalid,,,,,*,
,,,UNX:D:1403,invalid,,,,,*,
,,,UNX:G:1406,invalid,,,,,*,
,,,UNX:G:1407,invalid,,,,,*,
,,,UNX:B:1408,invalid,,,,,*,
,,,UNX:F:1409,invalid,,,,,*,
,,,UNX:G:1408,invalid,,,,,*,
,,,UNX:D:1406,invalid,,,,,*,
,,,UNX:C:1406,invalid,,,,,*,
,,,UNX:D:1408,invalid,,,,,*,
,,,UNX:F:1408,invalid,,,,,*,
,,,UNX:G:1404,invalid,,,,,*,
,,,UNX:B:1405,invalid,,,,,*,
,,,UNX:B:1407,invalid,,,,,*,
,,,UNX:B:1404,invalid,,,,,*,
,,,UNX:G:1403,invalid,,,,,*,
,,,ADP:F:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PN4:B:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:A:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:F:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:E:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:C:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:D:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,,,PN4:G:1402,valid,,,,,CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O,
,Family. Representative Entry is ,2I7N,,,,,,,
,,,ACO:A:796,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:896,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
2.4.2.39,,,,,,,,,
,Family. Representative Entry is ,6BSW,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,NO3:B:503,invalid,,,,,[N+](=O)([O-])[O-],
,,,UDP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,6BSV,,,,,,,
,,,NO3:B:504,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:504,invalid,,,,,[N+](=O)([O-])[O-],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,Part of Protein,,,,,[Mn+2],
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,UDP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
1.97.1.4,,,,,,,,,
,Family. Representative Entry is ,3C8F,,,,,,,
,,,MT2:A:501,valid,,,,,CC[S@@+](C)CC[C@@H](C(=O)O)N,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,SF4:A:500,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
4.4.1.3,,,,,,,,,
,Family. Representative Entry is ,5JSP,,,,,,,
,,,BR:B:303,invalid,,,,,[Br-],
,,,BR:A:303,invalid,,,,,[Br-],
,,,DQY:A:302,valid,,,,,CS(C)CCC(=O)O,
,,,DQY:B:302,valid,,,,,CS(C)CCC(=O)O,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,5JSR,,,,,,,
,,,BR:B:303,invalid,,,,,[Br-],
,,,BR:A:303,invalid,,,,,[Br-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,AKR:B:302,valid,,,,,C=CC(=O)O,
,,,AKR:A:302,valid,,,,,C=CC(=O)O,
1.14.99.3,,,,,,,,,
,Family. Representative Entry is ,3I9U,,,,,,,
,,,DTU:A:2001,valid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,HEM:A:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3HOK,,,,,,,
,,,HEM:A:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,Q80:B:301,valid,ic50,=,2.1,uM,c1cc(ccc1CC[C@]2(OC[C@H](O2)CSc3ccc(cn3)C(F)(F)F)Cn4ccnc4)Cl,
,,3K4F,,,,,,,
,,,HEM:A:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:300,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEZ:A:401,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:401,invalid,,,,,C(CCCO)CCO,
,,,Q86:A:301,valid,,,,,c1ccc(cc1)CCC(=O)Cn2cncn2,
,,,Q86:B:301,valid,,,,,c1ccc(cc1)CCC(=O)Cn2cncn2,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
1.1.1.85,,,,,,,,,
,Family. Representative Entry is ,4Y1P,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPM:B:402,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:A:402,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,6XXY,,,,,,,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,O45:B:402,valid,ic50,=,2.9,uM,CC(=C)CONC(=O)C(=O)O,
,,,O45:A:404,valid,ic50,=,2.9,uM,CC(=C)CONC(=O)C(=O)O,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1A05,,,,,,,
,,,IPM:A:401,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:B:402,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5J32,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,IPM:C:504,valid,Kd,=,8.3,uM,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:C:502,valid,Kd,=,8.3,uM,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:A:502,valid,Kd,=,8.3,uM,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:A:504,valid,Kd,=,8.3,uM,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,1HEX,,,,,,,
,,,NAD:A:400,valid,Ki,=,614.6,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2Y42,,,,,,,
,,,BCN:A:501,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:1502,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:B:501,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:C:501,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,BCN:D:501,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MN:A:999,Part of Protein,,,,,[Mn+2],
,,,MN:B:999,Part of Protein,,,,,[Mn+2],
,,,MN:C:999,Part of Protein,,,,,[Mn+2],
,,,MN:D:999,Part of Protein,,,,,[Mn+2],
,,,NAD:A:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:900,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,2Y41,,,,,,,
,,,IPM:A:800,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,IPM:B:800,valid,,,,,CC(C)[C@@H]([C@H](C(=O)O)O)C(=O)O,
,,,MN:A:999,Part of Protein,,,,,[Mn+2],
,,,MN:B:1000,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:999,Part of Protein,,,,,[Mn+2],
5.4.99.12,,,,,,,,,
,Family. Representative Entry is ,4NZ6,,,,,,,
,,,DLY:A:403,valid,,,,,C(CCN)C[C@H](C(=O)O)N,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,DGL:B:401,valid,,,,,C(CC(=O)O)[C@H](C(=O)O)N,
,,,PGE:A:402,invalid,,,,,C(COCCOCCO)O,
2.1.1.22,,,,,,,,,
,Family. Representative Entry is ,5YF1,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,SFG:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,8V0:A:502,valid,Kd,=,0.52,mM,c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN,
,,,8V0:B:502,valid,Kd,=,0.52,mM,c1c(nc[nH]1)C[C@@H](C(=O)O)NC(=O)CCN,
,,5YF0,,,,,,,
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,SAM:A:505,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5X62,,,,,,,
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
1.3.8.14,,,,,,,,,
,Family. Representative Entry is ,5ZW7,,,,,,,
,,,O4B:A:502,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:508,invalid,,,,,[Cl-],
,,6AF6,,,,,,,
,,,O4B:A:502,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:503,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,PRO GLY:A:506,valid,,,,,O=C([O-])CNC(=O)C1[NH2+]CCC1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,PRO:A:505,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,5ZW2,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,O4B:A:502,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:503,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:513,invalid,,,,,[Cl-],
,,,ACT:A:511,invalid,,,,,CC(=O)[O-],
,,,ACT:A:512,invalid,,,,,CC(=O)[O-],
,,5ZW8,,,,,,,
,,,PRO:A:506,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,O4B:A:502,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:503,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,MLA:A:504,valid,,,,,C(C(=O)O)C(=O)O,
2.7.4.13,,,,,,,,,
,Family. Representative Entry is ,1DEK,,,,,,,
,,,DGP:A:301,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGP:B:301,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
,,1DEL,,,,,,,
,,,AMP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,DGP:A:301,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGP:B:301,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
2.7.1.147,,,,,,,,,
,Family. Representative Entry is ,5O5Y,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:508,invalid,,,,,C(COCCOCCO)O,
,,,GLC:B:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5O5Z,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,AT4:B:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N,
,,,AT4:A:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)S)O)O)N,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC:B:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,1GC5,,,,,,,
,,,ADP:A:470,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5O0J,,,,,,,
,,,8BR:A:501,valid,Kd,=,16.85,uM,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8BR:A:502,valid,Kd,=,16.85,uM,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GLC:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
1.1.1.138,,,,,,,,,
,Family. Representative Entry is ,1H5Q,,,,,,,
,,,NAP:A:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:E:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:F:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:G:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:H:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:I:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:J:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:K:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:L:263,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NI:A:2263,Part of Protein,,,,,[Ni+2],
,,,NI:B:2263,Part of Protein,,,,,[Ni+2],
,,,NI:E:3263,Part of Protein,,,,,[Ni+2],
,,,NI:F:3263,Part of Protein,,,,,[Ni+2],
,,,NI:I:3263,Part of Protein,,,,,[Ni+2],
,,,NI:J:3263,Part of Protein,,,,,[Ni+2],
4.1.2.42,,,,,,,,,
,Family. Representative Entry is ,4V15,,,,,,,
,,,NA:B:1383,Part of Protein,,,,,[Na+],
,,,NA:A:1383,Part of Protein,,,,,[Na+],
,,,PLP:A:1380,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:A:1381,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1381,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1380,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,MN:B:1382,Part of Protein,,,,,[Mn+2],
,,,MN:A:1382,Part of Protein,,,,,[Mn+2],
3.1.3.72,,,,,,,,,
,Family. Representative Entry is ,1U26,,,,,,,
,,,IHS:A:2166,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:A:2167,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:B:2165,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,1U25,,,,,,,
,,,IHS:A:2165,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:A:2167,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
,,,IHS:C:2166,valid,,,,,C1(C(C(C(C(C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O,
3.2.1.176,,,,,,,,,
,Family. Representative Entry is ,5W11,,,,,,,
,,,NAG NAG MAN:D:1,invalid,,,,,,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,,,MAN:A:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:504,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,144:B:507,invalid,,,,,C[N+](CO)(CO)CO,
,,,GLC BGC BGC:H:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:F:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:G:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,4ZZW,,,,,,,
,,,MAN:A:706,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:901,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:902,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:903,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1440,Part of Protein,,,,,[Mg+2],
,,,MG:A:1439,Part of Protein,,,,,[Mg+2],
,,,NAG:B:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:A:912,invalid,,,,,C(COCCO)O,
,,,PEG:A:911,invalid,,,,,C(COCCO)O,
,,,BGC BGC:C:1,valid,Ki,=,50,uM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,4ZZU,,,,,,,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,SGC BGC:C:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SGC SGC SGC BGC:D:1,valid,,,,,,
,,4ZZT,,,,,,,
,,,GOL:A:1442,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1445,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1443,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1444,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1446,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1441,invalid,,,,,C(C(CO)O)O,
,,,SGC SGC BGC:C:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,SGC SGC BGC:D:1,valid,,,,,S(C1C(O)C(O)C(O)OC1CO)C1C(O)C(O)C(SC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,MG:A:1447,Part of Protein,,,,,[Mg+2],
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,NAG:A:705,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:704,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
2.4.1.15,,,,,,,,,
,Family. Representative Entry is ,5DX9,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,BME:A:403,invalid,,,,,C(CS)O,
,,,GLC G6P:B:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,Family. Representative Entry is ,2WTX,,,,,,,
,,,EDO:A:1457,invalid,,,,,C(CO)O,
,,,EDO:A:1458,invalid,,,,,C(CO)O,
,,,EDO:A:1459,invalid,,,,,C(CO)O,
,,,EDO:B:1459,invalid,,,,,C(CO)O,
,,,EDO:B:1460,invalid,,,,,C(CO)O,
,,,UDP:A:1460,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:1461,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:1457,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:1458,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,VDO:A:1461,valid,Ki,=,1.3,mM,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,,VDO:B:1462,valid,Ki,=,1.3,mM,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,,VDO:C:1458,valid,Ki,=,1.3,mM,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,,VDO:D:1459,valid,Ki,=,1.3,mM,C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)(O)O,
,,1UQU,,,,,,,
,,,UPG:A:1457,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1UQT,,,,,,,
,,,U2F:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,,U2F:B:901,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,1GZ5,,,,,,,
,,,G6P:A:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:B:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:C:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,G6P:D:901,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,IMD:A:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:D:902,invalid,,,,,c1c[nH+]c[nH]1,
,,,UDP:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:C:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6JBR,,,,,,,
,,,UDP:M:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:D:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:H:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:F:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:K:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:O:502,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GLC G6P:G:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:I:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:N:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:C:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:J:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:L:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:P:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,,,GLC G6P:E:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1)([O-])[O-],
,Family. Representative Entry is ,5DXI,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,BEF:A:402,invalid,,,,,[Be-](F)(F)F,
,,,BEF:B:402,invalid,,,,,[Be-](F)(F)F,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
2.4.1.21,,,,,,,,,
,Family. Representative Entry is ,2QZS,,,,,,,
,,,250:A:488,valid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLC:A:486,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3COP,,,,,,,
,,,250:A:488,valid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,ADP:A:487,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLC:A:486,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,2R4U,,,,,,,
,,,250:A:503,valid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLC:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PE3:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:505,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:506,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,3CX4,,,,,,,
,,,250:A:517,valid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ETE:A:520,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:521,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:522,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:523,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:524,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:525,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:526,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:527,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:528,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:529,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:530,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:531,invalid,,,,,COCCOCCOCCOCCO,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,NA:A:518,Part of Protein,,,,,[Na+],
,,,NA:A:519,Part of Protein,,,,,[Na+],
,,,BGC GLC GLC GLC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(O)C(O)C(OCC3C(O)C(O)C(O)C(O)O3)O2)O1)C1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,2R4T,,,,,,,
,,,250:A:503,valid,,,,,C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLC:A:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,PE3:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:505,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:506,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:507,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:508,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:509,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:510,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:511,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:512,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:513,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:514,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:515,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,PE3:A:519,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6GNF,,,,,,,
,,,GLC:B:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BGC GLC AC1:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,,,BGC GLC AC1:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(O)O1)C1C(O)C(O)C(OC2C(O)C(O)C([NH2+]C3C(O)C(O)C(O)C(CO)=C3)C(C)O2)C(CO)O1,
,Family. Representative Entry is ,1RZU,,,,,,,
,,,ADP:A:1531,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:2531,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
2.7.11.11,,,,,,,,,
,Family. Representative Entry is ,2GU8,,,,,,,
,,,796:A:1001,valid,ic50,=,0.1,nM,CNc1nccc(n1)c2ccc(s2)C(=O)N[C@@H](Cc3ccc(cc3Cl)Cl)CN,
,,4XW5,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2UW5,,,,,,,
,,,GVN:A:1351,valid,ic50,=,34,nM,c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl,
,,2JDV,,,,,,,
,,,L20:A:1351,valid,,,,,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N,
,,2VNY,,,,,,,
,,,M02:A:1351,valid,,,,,c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)N,
,,4IE9,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,PZX:A:401,valid,,,,,Cc1cc(n[nH]1)C(=O)OCc2cccnc2,
,,3FJQ,,,,,,,
,,,ATP:E:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:402,Part of Protein,,,,,[Mn+2],
,,2VO6,,,,,,,
,,,CL:A:1351,invalid,,,,,[Cl-],
,,,M05:A:1352,valid,,,,,c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl,
,,4UJ9,,,,,,,
,,,TPO:A:1354,invalid,,,,,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,MPD:A:1353,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,S3N:A:1351,valid,,,,,c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O)C(F)(F)F,
,,1YDR,,,,,,,
,,,IQP:E:351,valid,Ki,=,3,uM,C[C@H]1CNCC[N@]1S(=O)(=O)c2cccc3c2ccnc3,
,,2C1A,,,,,,,
,,,I5S:A:1351,valid,ic50,=,0.17,uM,c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl,
,,4UJA,,,,,,,
,,,4L7:A:1351,valid,,,,,c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O,
,,,MPD:A:1353,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,BR:A:1352,invalid,,,,,[Br-],
,,2UW0,,,,,,,
,,,GVK:A:1351,valid,,,,,c1cc(ccc1c2c3c([nH]cn3)ncn2)C4(CCNCC4)c5ccc(cc5)Cl,
,,4DFX,,,,,,,
,,,ANP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:404,Part of Protein,,,,,[Mg+2],
,,,MYR:E:401,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,3L9L,,,,,,,
,,,L9L:A:351,valid,ic50,=,167,nM,c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F,
,,,L9L:B:351,valid,ic50,=,167,nM,c1cc(ccc1C[C@@H](CNc2ncc(s2)c3ccc4c(c3)CC(=O)N4)N)C(F)(F)F,
,,3X2V,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO3:A:404,invalid,,,,,C(=O)([O-])[O-],
,,3MVJ,,,,,,,
,,,XFE:A:351,valid,ic50,=,3200,nM,Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N,
,,,XFE:E:351,valid,ic50,=,3200,nM,Cc1c[nH]c2c1c(ncn2)[N@]3CC[C@H](C3)N,
,,4HPU,,,,,,,
,,,MYR:E:401,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MG:E:404,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,ANP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:I:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4C35,,,,,,,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NU3:A:1351,valid,ic50,=,0.56,uM,c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N,
,,4C38,,,,,,,
,,,MOH:A:1354,invalid,,,,,CO,
,,,MOH:A:1353,invalid,,,,,CO,
,,,MOH:A:1352,invalid,,,,,CO,
,,,VUP:A:1351,valid,ic50,=,17.4,nM,CCn1c2cc(ncc2nc1c3c(non3)N)C,
,,3ZO4,,,,,,,
,,,DMS:A:1354,invalid,,,,,CS(=O)C,
,,,QWI:A:1352,valid,ic50,=,149,nM,c1ccc(cc1)[C@@H]2CCNC3(C2)CCN(CC3)c4c5c([nH]cn5)ncn4,
,,,GOL:A:1353,invalid,,,,,C(C(CO)O)O,
,,,MPD:A:1351,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2OJF,,,,,,,
,,,4PY:E:1000,valid,ic50,=,110,nM,c1c(cncc1OC[C@H](CC2=C3C=CCC=C3N=C2)N)C4=NCC5=NN=CC5=C4,
,,4XW4,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,ANP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,2GNF,,,,,,,
,,,Y27:A:501,valid,ic50,=,6,uM,C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N,
,,2JDS,,,,,,,
,,,L20:A:1351,valid,Ki,=,6.3,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N,
,,3E8E,,,,,,,
,,,G98:A:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,,G98:B:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,,G98:E:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,,G98:I:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,,G98:L:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,,G98:P:351,valid,,,,,CCn1c2cc(nc(c2nc1C3=C(NON3)N)C#CC(C)(C)O)O[C@@H](CCN)c4ccccc4,
,,1SVG,,,,,,,
,,,I04:A:351,valid,ic50,=,2,nM,COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O,
,,2UW3,,,,,,,
,,,GVG:A:1351,valid,ic50,=,80,uM,Cc1c(c[nH]n1)c2ccccc2,
,,3L9N,,,,,,,
,,,L9N:A:351,valid,,,,,Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)cn[nH]4)N,
,,2UZW,,,,,,,
,,,SS4:E:1351,valid,Kd,=,5,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccc(cc4)Br)N,
,,3X2W,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CO3:A:404,invalid,,,,,C(=O)([O-])[O-],
,,2GNJ,,,,,,,
,,,Y27:A:501,valid,Ki,=,6,uM,C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N,
,,2VO0,,,,,,,
,,,CL:A:1351,invalid,,,,,[Cl-],
,,,EDO:A:1353,invalid,,,,,C(CO)O,
,,,EDO:I:1025,invalid,,,,,C(CO)O,
,,,M03:A:1354,valid,,,,,c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl,
,,,M03:A:1355,valid,,,,,c1cc(ccc1C2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl,
,,,MRD:A:1352,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,1L3R,,,,,,,
,,,ADP:E:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AF3:E:400,valid,,,,,F[Al](F)F,
,,,MG:E:391,Part of Protein,,,,,[Mg+2],
,,,MG:E:392,Part of Protein,,,,,[Mg+2],
,,,MPD:E:382,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4O21,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6E99,,,,,,,
,,,J0G:A:601,valid,ic50,=,1,uM,C[C@H](c1cccc(c1)OC)NC(=O)c2ccc(cc2NCCN)c3ccncc3,
,,1XH5,,,,,,,
,,,BU3:A:901,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:903,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:B:902,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,R68:A:1001,valid,Kd,=,3400,nM,CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C,
,,2JDT,,,,,,,
,,,I5S:A:1351,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)NCCNCCOCc3ccc(cc3)Cl,
,,2ERZ,,,,,,,
,,,HFS:E:351,valid,Ki,=,2.2,uM,c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3,
,,1Q8W,,,,,,,
,,,M77:A:960,valid,Kd,=,5.7,uM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,1STC,,,,,,,
,,,STU:E:351,valid,Ki,=,8,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,5UZK,,,,,,,
,,,504:A:401,valid,Ki,=,180,nM,c1cc(cc(c1)OCCCC2CCNCC2)CC(=O)Nc3nc(cs3)c4c[nH]c5c4cccn5,
,,4IAZ,,,,,,,
,,,BA:A:401,Part of Protein,,,,,[Ba+2],
,,,BA:A:402,Part of Protein,,,,,[Ba+2],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2UVX,,,,,,,
,,,GVH:A:1351,valid,,,,,c1cc2cc[nH]c2nc1,
,,4YXR,,,,,,,
,,,0RW:A:401,valid,,,,,Cc1c2ccccc2n[nH]1,
,,1RDQ,,,,,,,
,,,ADP:E:599,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:E:700,invalid,,,,,C(C(CO)O)O,
,,,MG:E:601,Part of Protein,,,,,[Mg+2],
,,,MG:E:602,Part of Protein,,,,,[Mg+2],
,,,MRD:E:800,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:E:598,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4YXS,,,,,,,
,,,EMU:A:401,valid,,,,,c1ccc(cc1)CNc2c3c([nH]cn3)ncn2,
,,1Q8T,,,,,,,
,,,Y27:A:930,valid,Kd,=,17.5,uM,C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)N,
,,4IAI,,,,,,,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CO3:A:404,invalid,,,,,C(=O)([O-])[O-],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2UW4,,,,,,,
,,,L15:A:1351,valid,ic50,=,5.2,uM,Cc1c(c[nH]n1)c2ccc(cc2)CCN,
,,2GNI,,,,,,,
,,,M77:A:601,valid,ic50,=,2280,nM,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,2UVY,,,,,,,
,,,GVI:A:1351,valid,,,,,CNCc1ccc(cc1)c2c3c([nH]cn3)ncn2,
,,1CDK,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:402,Part of Protein,,,,,[Mn+2],
,,,MYR:A:403,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:403,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,5VIB,,,,,,,
,,,9D1:A:401,valid,ic50,=,0.102,uM,c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5,
,,2C1B,,,,,,,
,,,CQP:A:1351,valid,ic50,=,0.4,uM,c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl,
,,2UW8,,,,,,,
,,,GVQ:A:1351,valid,ic50,=,77,uM,c1ccc(cc1)[C@@H](CN)c2ccc(cc2)Cl,
,,3AMA,,,,,,,
,,,SKE:A:351,valid,Ki,=,0.297,uM,c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F,
,,2GNH,,,,,,,
,,,H52:A:501,valid,ic50,=,149,nM,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,,H52:A:502,valid,ic50,=,149,nM,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,4IB0,,,,,,,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1SVE,,,,,,,
,,,I01:A:351,valid,ic50,=,5,nM,COc1ccc(c(c1F)C(=O)c2ccc(cc2)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O,
,,,MG8:A:901,invalid,,,,,CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,NA:A:900,Part of Protein,,,,,[Na+],
,,1XH4,,,,,,,
,,,R69:A:351,valid,Kd,=,34,nM,CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O,
,,2VO7,,,,,,,
,,,M05:A:1351,valid,ic50,=,168,nM,c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl,
,,,M05:A:1352,valid,ic50,=,168,nM,c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)[NH3+])Cl,
,,2UZU,,,,,,,
,,,L20:E:1351,valid,ic50,=,0.16,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N,
,,4AXA,,,,,,,
,,,RKD:A:1351,valid,,,,,c1cc(ccc1c2c[nH]nc2)[C@@](C[NH3+])(c3ccc(cc3)Cl)O,
,,2F7E,,,,,,,
,,,2EA:E:351,valid,ic50,=,1.3,nM,c1ccc2c(c1)C(C=N2)C[C@@H](COc3cc(cnc3)c4ccc5cnccc5c4)N,
,,1XH8,,,,,,,
,,,R55:A:351,valid,ic50,=,1700,nM,CC1(CCN(CC1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C,
,,3DNE,,,,,,,
,,,LL1:A:351,valid,,,,,c1ccc2c(c1)c(n[nH]2)c3ccncc3,
,,4DG0,,,,,,,
,,,ANP:E:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,MG:E:404,Part of Protein,,,,,[Mg+2],
,,,MYR:E:401,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,4C34,,,,,,,
,,,STU:A:1351,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,,,MG8:A:1353,invalid,,,,,CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,GOL:A:1352,invalid,,,,,C(C(CO)O)O,
,,4IAC,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ACP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,2UZT,,,,,,,
,,,SS3:A:1351,valid,ic50,=,14,nM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N,
,,1JBP,,,,,,,
,,,ADP:E:381,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,OCT:E:382,valid,,,,,CCCCCCCC,
,,1ATP,,,,,,,
,,,ATP:E:355,valid,Kd,=,60,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MN:E:351,Part of Protein,,,,,[Mn+2],
,,,MN:E:352,Part of Protein,,,,,[Mn+2],
,,3OW3,,,,,,,
,,,SMY:A:351,valid,ic50,=,742,nM,C[C@H]1c2c(ncnc2N3CCN(CC3)C(=O)[C@@H](Cc4c[nH]c5c4cccc5)N)CS1,
,,4IB3,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3ZO3,,,,,,,
,,,GOL:A:1359,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1358,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1361,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,MOH:A:1362,invalid,,,,,CO,
,,,MOH:A:1353,invalid,,,,,CO,
,,,MOH:A:1357,invalid,,,,,CO,
,,,MOH:A:1354,invalid,,,,,CO,
,,,MOH:A:1355,invalid,,,,,CO,
,,,MOH:A:1356,invalid,,,,,CO,
,,,MOH:A:1352,invalid,,,,,CO,
,,,QNI:A:1351,valid,,,,,c1[nH]c2c(n1)c(ncn2)N3CCCC4(C3)CCNCC4,
,,4C37,,,,,,,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,Z21:A:1351,valid,ic50,=,19.7,nM,CCn1c2cc(ncc2nc1c3c(non3)N)Br,
,,3E8C,,,,,,,
,,,G96:A:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:B:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:C:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:D:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:E:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,,G96:F:351,valid,,,,,CCn1c2cc(nc(c2nc1c3c(non3)N)C#CC(C)(C)O)OC[C@@H](Cc4ccccc4)N,
,,1Q8U,,,,,,,
,,,H52:A:961,valid,Kd,=,1.1,uM,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,,H52:A:962,valid,Kd,=,1.1,uM,Cc1cncc2c1c(ccc2)S(=O)(=O)[N@]3CCCNC[C@@H]3C,
,,,MG8:A:960,invalid,,,,,CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O,
,,4Z83,,,,,,,
,,,4L7:E:401,valid,,,,,c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O,
,,,4L7:E:402,valid,,,,,c1cc2c(cc1[C@H]3CNC[C@@H]3C(=O)c4ccc(s4)Br)N=CNC2=O,
,,1YDT,,,,,,,
,,,IQB:E:351,valid,Ki,=,48,nM,c1cc2cnccc2c(c1)S(=O)(=O)NCCNCC=Cc3ccc(cc3)Br,
,,3L9M,,,,,,,
,,,L9M:A:351,valid,,,,,Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N,
,,,L9M:B:351,valid,,,,,Cc1ccc(cc1)C[C@@H](CNc2nnc(s2)c3ccc4c(c3)c(n[nH]4)C)N,
,,3AMB,,,,,,,
,,,VX6:A:351,valid,Ki,=,0.66,uM,Cc1cc([nH]n1)Nc2cc(nc(n2)Sc3ccc(cc3)NC(=O)C4CC4)N5CCN(CC5)C,
,,3DND,,,,,,,
,,,LL2:A:351,valid,,,,,c1ccc(cc1)Cc2cnc(s2)N,
,,4IAK,,,,,,,
,,,SR:A:401,invalid,,,,,[Sr+2],
,,,SR:A:402,invalid,,,,,[Sr+2],
,,,CO3:A:404,invalid,,,,,C(=O)([O-])[O-],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2UW6,,,,,,,
,,,GVO:A:1351,valid,ic50,=,0.28,uM,c1cc(ccc1c2c[nH]nc2)[C@H](CN)c3ccc(cc3)Cl,
,,1XH7,,,,,,,
,,,R96:A:351,valid,Kd,=,150,nM,CC1(CCCN(C1)c2ccc(c(c2)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C,
,,3X2U,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,1XHA,,,,,,,
,,,R68:A:1001,valid,,,,,CC1(CCCN[C@H]1c2ccc(c(c2F)C(=O)c3ccc(cc3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5)O)C,
,,4IAF,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4IAD,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3ZO1,,,,,,,
,,,GOL:A:1354,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1352,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1355,invalid,,,,,C(C(CO)O)O,
,,,MOH:A:1357,invalid,,,,,CO,
,,,MOH:A:1356,invalid,,,,,CO,
,,,SIJ:A:1351,valid,ic50,=,1,uM,c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3,
,,4HPT,,,,,,,
,,,MG:E:402,Part of Protein,,,,,[Mg+2],
,,,MG:E:403,Part of Protein,,,,,[Mg+2],
,,,ANP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4UJ1,,,,,,,
,,,NVX:A:1351,valid,,,,,c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2OH0,,,,,,,
,,,2PY:E:351,valid,ic50,=,18,nM,c1cc2c(cc1c3cc(cnc3)OC[C@H](CC4=C5C=CC=CC5N=C4)N)cn[nH]2,
,,4WB5,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,2F7X,,,,,,,
,,,4EA:E:351,valid,ic50,=,14,nM,c1ccc2c(c1)c(c[nH]2)C[C@@H](COc3cc(cnc3)C=Cc4ccncc4)N,
,,6YNT,,,,,,,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:A:404,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,MRD:A:406,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,LRT:A:405,valid,,,,,c1cc2c(ccnc2N)c(c1)S(=O)(=O)N3CCCNCC3,
,,2UVZ,,,,,,,
,,,GVJ:A:1351,valid,,,,,c1ccc(cc1)[C@@H](c2ccc(cc2)c3c4c([nH]cn4)ncn3)N,
,,3NX8,,,,,,,
,,,IPH:A:351,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:352,valid,,,,,c1ccc(cc1)O,
,,,IPH:A:353,valid,,,,,c1ccc(cc1)O,
,,2UW7,,,,,,,
,,,GVP:A:1351,valid,ic50,=,18,nM,c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl,
,,4Z84,,,,,,,
,,,MOH:A:402,invalid,,,,,CO,
,,,MOH:A:403,invalid,,,,,CO,
,,,NVX:A:401,valid,,,,,c1cc(cc(c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O,
,,1XH6,,,,,,,
,,,R94:A:351,valid,Kd,=,48,nM,c1cc(ccc1C(=O)c2cc(ccc2O)N3CCCCC3)C(=O)N[C@@H]4CCCNC[C@H]4NC(=O)c5ccncc5,
,,2VNW,,,,,,,
,,,M01:A:1351,valid,,,,,c1[nH]c2c(n1)c(ncn2)N3CCC(CC3)CN,
,,1FMO,,,,,,,
,,,ADN:E:351,valid,Ki,=,2.3,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,2UZV,,,,,,,
,,,SS5:A:1351,valid,ic50,>,3,uM,Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4cccc(c4)OCC5CCCCC5)N,
,,4UJ2,,,,,,,
,,,NVV:A:1351,valid,,,,,c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4IB1,,,,,,,
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2QUR,,,,,,,
,,,ADP:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4XW6,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5VI9,,,,,,,
,,,9D4:A:401,valid,,,,,c1cc(cc(c1)F)CNc2nc3ccc(cc3s2)c4ccncc4,
,,1XH9,,,,,,,
,,,BU3:A:951,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:952,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:953,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,R69:A:351,valid,Kd,=,17,nM,CN(C)c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)N[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O,
,,2VO3,,,,,,,
,,,CL:A:1351,invalid,,,,,[Cl-],
,,,M04:A:1352,valid,,,,,c1cc(ccc1CC2(CCN(CC2)c3c4cc[nH]c4ncn3)CN)Cl,
,,4WB8,,,,,,,
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,MES:A:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6YNR,,,,,,,
,,,O72:A:403,valid,,,,,c1cc2ccnc(c2nc1)N,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,3ZO2,,,,,,,
,,,15I:A:1351,valid,ic50,=,80,nM,c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCNC4)CC3,
,,,MPD:A:1354,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:1353,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1352,invalid,,,,,C(C(CO)O)O,
,,1SVH,,,,,,,
,,,I08:A:351,valid,ic50,=,360,nM,COc1ccc(c(c1F)C(=O)c2ccc(cc2)C=C[C@@H]3CCCNC[C@H]3NC(=O)c4ccncc4)O,
,,1YDS,,,,,,,
,,,IQS:E:351,valid,Ki,=,1.2,uM,CNCCNS(=O)(=O)c1cccc2c1ccnc2,
,,4IAY,,,,,,,
,,,SR:A:401,invalid,,,,,[Sr+2],
,,,SR:A:402,invalid,,,,,[Sr+2],
,,,ADP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4C36,,,,,,,
,,,ZO9:A:1351,valid,ic50,=,19.8,nM,c1ccc2c(c1)nc(n2CC3CC3)c4c(non4)N,
,,,MOH:I:1025,invalid,,,,,CO,
,,4UJB,,,,,,,
,,,8BQ:A:1351,valid,,,,,c1cc(cc(c1)F)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N=CNC4=O,
,,,MPD:B:1025,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1352,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5VHB,,,,,,,
,,,9CY:A:401,valid,,,,,c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3,
,Family. Representative Entry is ,4WB7,,,,,,,
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:J:101,Part of Protein,,,,,[Zn+2],
,,,ZN:I:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:I:103,invalid,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:J:102,invalid,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:I:102,invalid,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3IDB,,,,,,,
,,,ANP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2QCS,,,,,,,
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TAM:A:406,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,4X6R,,,,,,,
,,,MYR:A:405,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MG:A:408,invalid,,,,,[Mg+2],
,,,MG:A:407,Part of Protein,,,,,[Mg+2],
,,,TAM:A:403,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4WB6,,,,,,,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,ATP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5K8S,,,,,,,
,,,CMP:B:501,valid,Kd,=,6,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:501,valid,Kd,=,6,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,5T3N,,,,,,,
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:B:503,invalid,,,,,[I-],
,,,IOD:B:502,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:B:501,invalid,,,,,[I-],
,,,75G:B:504,valid,Kd,=,9.1,nM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N,
,,,75G:A:503,valid,Kd,=,9.1,nM,c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)S)O)Cl)N,
,Family. Representative Entry is ,3FHI,,,,,,,
,,,ANP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6YNC,,,,,,,
,,,7CT:A:401,valid,,,,,CNS(=O)(=O)c1cccc2c1ccnc2,
,,6YQJ,,,,,,,
,,,6TX:A:401,valid,,,,,CCCN(CC[NH3+])S(=O)(=O)c1cccc2c1ccnc2,
,,6YNA,,,,,,,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,M77:A:402,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3,
,,6YQI,,,,,,,
,,,6TV:A:401,valid,,,,,CCCNCCNS(=O)(=O)c1cccc2c1ccnc2,
,,6YNB,,,,,,,
,,,IQU:A:401,valid,,,,,c1cc2cnccc2c(c1)S(=O)(=O)NCCN,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,6YQK,,,,,,,
,,,7KB:A:401,valid,,,,,Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNCC3,
,Family. Representative Entry is ,5KBF,,,,,,,
,,,CMP:B:501,valid,Kd,=,1.2,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:502,valid,Kd,=,1.2,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:501,valid,Kd,=,1.2,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:502,valid,Kd,=,1.2,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
1.5.1.20,,,,,,,,,
,Family. Representative Entry is ,6FCX,,,,,,,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SAH:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CIT:A:703,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:703,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,3APT,,,,,,,
,,,ACT:B:311,invalid,,,,,CC(=O)[O-],
,,,FAD:A:311,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,1V93,,,,,,,
,,,DIO:A:301,invalid,,,,,C1COCCO1,
,,,DIO:A:302,invalid,,,,,C1COCCO1,
,,,DIO:A:303,invalid,,,,,C1COCCO1,
,,,DIO:A:304,invalid,,,,,C1COCCO1,
,,,DIO:A:305,invalid,,,,,C1COCCO1,
,,,DIO:A:306,invalid,,,,,C1COCCO1,
,,,FAD:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6FNU,,,,,,,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
5.1.3.15,,,,,,,,,
,Family. Representative Entry is ,2CIR,,,,,,,
,,,BG6:A:501,valid,Kd,=,200,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,2CIS,,,,,,,
,,,BA:A:1291,invalid,,,,,[Ba+2],
,,,TA6:A:1290,valid,Kd,=,0.985,mM,C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O,
4.2.99.20,,,,,,,,,
,Family. Representative Entry is ,4MYD,,,,,,,
,,,164:B:301,valid,Kd,=,28,uM,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,
,,,164:A:301,valid,Kd,=,28,uM,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,
,,4MYS,,,,,,,
,,,164:B:301,valid,,,,,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,
,,,164:A:301,valid,,,,,C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)O)C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,PYR:B:302,valid,,,,,CC(=O)C(=O)O,
3.4.24.75,,,,,,,,,
,Family. Representative Entry is ,4ZYB,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:D:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,ZN:C:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:D:401,Part of Protein,,,,,[Zn+2],
,,,UNL:A:407,invalid,,,,,NULL,
,,,UNL:A:405,invalid,,,,,NULL,
,,,UNL:A:406,invalid,,,,,NULL,
,,,UNL:C:403,invalid,,,,,NULL,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,CL:D:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,EPE:C:405,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:410,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,4SQ:B:406,valid,,,,,C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O,
,,,4SQ:D:404,valid,,,,,C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O,
,,,4SQ:A:409,valid,,,,,C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O,
,,,4SQ:C:404,valid,,,,,C(CP(=O)(CNC(=O)CN)O)C(=O)NCC(=O)O,
,Family. Representative Entry is ,6RJE,,,,,,,
,,,K5T:A:601,valid,Kd,=,890,uM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N,
,Family. Representative Entry is ,6RK4,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,K5T:A:501,valid,Kd,=,890,uM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@H](C)C(=O)O)C(=O)N)N,
12.-.-.-,,,,,,,,,
,Family. Representative Entry is ,6T74,,,,,,,
,,,1PE:A:404,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:402,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:B:403,invalid,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,MLI:B:404,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,1WUW,,,,,,,
,,,SER:A:103,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,SER:B:105,valid,,,,,C([C@@H](C(=O)O)N)O,
,,,TSU:A:101,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:102,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,Family. Representative Entry is ,5DOZ,,,,,,,
,,,NDP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6W3T,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,NVA:B:301,valid,Kd,=,168,uM,CCC[C@@H](C(=O)O)N,
,,,NVA:A:301,valid,Kd,=,168,uM,CCC[C@@H](C(=O)O)N,
,,6W3P,,,,,,,
,,,SKJ:A:301,valid,Kd,=,294,uM,CCC[C@@H](C)[C@@H](C(=O)O)N,
,,,SKJ:B:301,valid,Kd,=,294,uM,CCC[C@@H](C)[C@@H](C(=O)O)N,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:A:307,invalid,,,,,[Na+],
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,6W3R,,,,,,,
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,invalid,,,,,[Na+],
,,,I2M:A:301,valid,Kd,=,484,uM,CCC(C)(C)[C@@H](C(=O)O)N,
,,,I2M:B:301,valid,Kd,=,484,uM,CCC(C)(C)[C@@H](C(=O)O)N,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6W3O,,,,,,,
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,SKG:A:301,valid,Kd,=,324,uM,C[C@H]([C@@H](C(=O)O)N)C(C)C,
,,,SKG:B:301,valid,Kd,=,324,uM,C[C@H]([C@@H](C(=O)O)N)C(C)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6HPG,,,,,,,
,,,GLY SER LYS MET GLU GLU VAL ASP:D:0,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:A:0,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:F:1,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:B:0,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:E:1,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:C:1,valid,Kd,=,3.17,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,6Q3Q,,,,,,,
,,,GOL:B:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1001,invalid,,,,,C(C(CO)O)O,
,,,GLY SER LYS MET GLU GLU VAL ASP:A:0,valid,Kd,=,35.2,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,GLY SER LYS MET GLU GLU VAL ASP:B:0,valid,Kd,=,35.2,uM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)CCCC[NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])CCC(=O)[O-])C,
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6FNE,,,,,,,
,,,DY5:A:801,valid,ic50,=,3,uM,Cc1ccc2c(c1[N+](=O)[O-])C(=O)C[C@H](O2)C(F)(F)F,
,,,2PE:A:802,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6HBZ,,,,,,,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,C2E:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5BU2,,,,,,,
,,,ADP:A:702,invalid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,RIB:D:701,valid,,,,,C([C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,6E48,,,,,,,
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,4OA:B:601,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,
,,,4OA:A:601,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,6E47,,,,,,,
,,,MG:B:603,Part of Protein,,,,,[Mg+2],
,,,MG:G:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:604,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,EDO:F:207,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:B:608,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:F:205,invalid,,,,,C(CO)O,
,,,EDO:G:202,invalid,,,,,C(CO)O,
,,,EDO:B:607,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:B:610,invalid,,,,,C(CO)O,
,,,EDO:F:208,invalid,,,,,C(CO)O,
,,,EDO:F:206,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:F:204,invalid,,,,,C(CO)O,
,,,EDO:B:609,invalid,,,,,C(CO)O,
,,,EDO:F:203,invalid,,,,,C(CO)O,
,,,EDO:B:606,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:G:204,invalid,,,,,C(CO)O,
,,,EDO:G:203,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,CHO:B:601,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:B:602,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,Family. Representative Entry is ,2P3I,,,,,,,
,,,MNA:A:1000,valid,Kd,=,0.33,mM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3TB0,,,,,,,
,,,1PE:A:304,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,MN0:A:301,valid,,,,,CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O,
,,2P3J,,,,,,,
,,,MNA:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2P3K,,,,,,,
,,,GOL:A:4000,invalid,,,,,C(C(CO)O)O,
,,,MNA:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6C7R,,,,,,,
,,,EO4:A:201,valid,Kd,=,2.2,nM,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5cc(nn5C)C6CC6)C,
,,6JJ3,,,,,,,
,,,BS6:A:201,valid,ic50,=,100,nM,CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c5ccccc5OC)N(C3=O)C,
,,6P05,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,YF2:A:203,valid,ic50,=,5.9,nM,CCS(=O)(=O)Nc1cc(cc2c1ccn2C(C)(c3ccccn3)c4ccccn4)c5cn(c6c5C=CNC6=O)C,
,,4IOO,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,BAE:A:306,valid,,,,,CC(C)(C)C(=O)NC,
,,,DMS:A:307,invalid,,,,,CS(=O)C,
,,5I88,,,,,,,
,,,PGE:A:201,invalid,,,,,C(COCCOCCO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,69G:A:205,valid,Kd,=,250,nM,C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,5DX4,,,,,,,
,,,E0C:A:201,valid,Kd,=,0.137,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc(ccc4OC)Br,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,6JJB,,,,,,,
,,,BT0:A:201,valid,ic50,=,49.5,nM,CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4OC,
,,3JVK,,,,,,,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,GLY GLY ALY ALA PRO ARG LYS GLN:C:1,valid,Kd,=,118,uM,O=C(NC(C=O)C)C(NC(=O)CNC(=O)C[NH3+])CCCCNC(=O)C,
,,4HBX,,,,,,,
,,,14X:A:201,valid,ic50,=,1.9,uM,CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3,
,,4NUE,,,,,,,
,,,NUE:A:201,valid,Ki,=,0.15,uM,Cc1cc(c(c(c1O)C)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6SB8,,,,,,,
,,,L45:A:201,valid,Kd,=,0.07,uM,CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)O,
,,,BU3:A:202,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,5Y94,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,8QC:A:201,valid,Kd,=,164,nM,Cc1c2cc(c(cc2on1)NC)NS(=O)(=O)c3cc(ccc3OC)Br,
,,6DMJ,,,,,,,
,,,53W:A:201,valid,,,,,Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC,
,,4HXR,,,,,,,
,,,1A4:A:201,valid,ic50,=,4.1,uM,c1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3,
,,6DML,,,,,,,
,,,9BM:A:204,valid,,,,,Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5TI5,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,7CN:A:201,valid,ic50,=,41,uM,c1cc(cc(c1)N2C=CCC2=O)NS(=O)(=O)c3cccc(c3)Br,
,,6VUJ,,,,,,,
,,,RLY:A:202,valid,ic50,=,35.2,uM,CCN(CC)S(=O)(=O)c1ccc(c(c1)c2ccc(c(c2)OC)OC)[C@@H]3CC(=O)N(C3)C,
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,6X7B,,,,,,,
,,,ZVP:A:201,valid,ic50,=,27,nM,c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6,
,,,ZVP:B:201,valid,ic50,=,27,nM,c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCNCC6,
,,4O7C,,,,,,,
,,,2RK:A:201,valid,ic50,=,10,uM,C1CNCCC1C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4IOQ,,,,,,,
,,,BAQ:A:201,valid,,,,,C1CC(=O)NC1,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,4HXK,,,,,,,
,,,1AJ:A:201,valid,,,,,c1csc2c1CN(CC2)C(=O)n3ccnc3,
,,6S6K,,,,,,,
,,,BU3:A:405,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:404,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:402,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:403,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,KXK:A:401,valid,Kd,=,0.18,uM,Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCCC4)CCCCC2=O,
,,2YEL,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,WSH:A:1170,valid,ic50,=,15.5,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,6RWJ,,,,,,,
,,,KLK:A:201,valid,Kd,=,6.41,uM,Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O,
,,6SA2,,,,,,,
,,,BU3:A:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:303,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,L25:A:302,valid,Kd,=,0.08,uM,Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCOCC4)CCCCC2=O,
,,6XV7,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,O2Q:A:204,valid,,,,,Cc1nnc2n1nc(cc2)N(C)Cc3ccc(c(c3)F)F,
,,4BW4,,,,,,,
,,,9B6:A:1169,valid,ic50,=,631,nM,Cc1c(c(on1)C)c2cc3c(c4c(cn3)NC(=O)N4c5ccccc5OC(F)(F)F)nc2OC,
,,4O72,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:209,invalid,,,,,[Cl-],
,,,CL:A:210,invalid,,,,,[Cl-],
,,,2R4:A:201,valid,ic50,=,1,uM,c1ccc2c(c1)c3cccc(c3s2)c4cccc5c4OC(=CC5=O)N6CCOCC6,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,5F63,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,5W2:A:201,valid,Kd,=,12,nM,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C,
,,5HLS,,,,,,,
,,,62G:A:201,valid,ic50,=,0.039,uM,Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N,
,,4HBW,,,,,,,
,,,14Z:A:202,valid,ic50,=,4.8,uM,CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,K:A:203,Part of Protein,,,,,[K+],
,,4OGI,,,,,,,
,,,R78:A:202,valid,Kd,=,37,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,,R78:B:202,valid,Kd,=,37,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,6WW8,,,,,,,
,,,YR0:A:201,valid,,,,,CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cc4)c5csc6c5OC(=CC6=O)N7CCOCC7,
,,5TI7,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,7CQ:A:201,valid,ic50,=,11,uM,COc1ccc(cc1S(Nc2cccc(c2)N3CCCC3=O)(O)O)Br,
,,4J0S,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,1H3:A:205,valid,ic50,=,0.382,uM,Cc1c(c(on1)C)c2cc(cc(c2)O)[C@H](c3ccccc3)O,
,,6Q3Y,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,HG5:A:202,valid,Kd,=,54,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C,
,,,HG5:B:204,valid,Kd,=,54,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(cc4OCC)C5CCN(CC5)C)C,
,,6SAJ,,,,,,,
,,,BU3:A:201,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:202,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,BU3:A:203,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,L2Z:A:204,valid,Kd,=,0.05,uM,Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CC5(C4)COC5)CCCCC2=O,
,,4F3I,,,,,,,
,,,0S6:A:203,valid,Kd,=,36.1,nM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4QZS,,,,,,,
,,,JQ1:A:201,valid,Kd,=,89,nM,Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,CL:A:204,invalid,,,,,[Cl-],
,,6AFR,,,,,,,
,,,9E3:A:201,valid,ic50,=,70,nM,c1cc2c(ccc(c2nc1)O)Cn3cc(nc3)F,
,,4WIV,,,,,,,
,,,3P2:A:201,valid,Kd,=,550,nM,Cc1c(c(on1)C)c2ccc(cc2)c3c(n4ccncc4n3)NC(C)(C)C,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6VUF,,,,,,,
,,,RLV:B:201,valid,ic50,=,147,uM,CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C,
,,,RLV:A:201,valid,ic50,=,147,uM,CCCNS(=O)(=O)c1ccc(cc1)[C@H]2CC(=O)N(C2)C,
,,3P5O,,,,,,,
,,,EAM:A:1,valid,Kd,=,55.2,nM,CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,EDO:A:169,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,4UIX,,,,,,,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,EDO:C:1164,invalid,,,,,C(CO)O,
,,,EDO:B:1169,invalid,,,,,C(CO)O,
,,,TVU:C:1165,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC,
,,,TVU:B:1170,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC,
,,,TVU:A:1171,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC,
,,,CA:B:1168,Part of Protein,,,,,[Ca+2],
,,,CA:A:1169,Part of Protein,,,,,[Ca+2],
,,4HXS,,,,,,,
,,,1A3:A:201,valid,ic50,=,4.1,uM,c1ccc(cc1)CS(=O)(=O)Nc2cccc(c2)C3=CSC(=O)N3,
,,5HM0,,,,,,,
,,,62V:A:201,valid,ic50,=,0.44,uM,Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl,
,,5DLX,,,,,,,
,,,5D2:A:201,valid,Kd,=,2,uM,Cc1nnc2n1nc(cc2)N3CCC(CC3)C(=O)NCCCN4CCN(CC4)c5cccc(c5)Cl,
,,5TI2,,,,,,,
,,,7CJ:A:201,valid,ic50,=,24,uM,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cccc(c3)F,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,5D3H,,,,,,,
,,,57G:A:201,valid,Kd,=,7.9,uM,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)CO,
,,6E4A,,,,,,,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,HRY:B:201,valid,Kd,=,44,nM,CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl,
,,,HRY:A:201,valid,Kd,=,44,nM,CN1C=C(C=CC1=O)c2ccc3c(c2)c(nc(n3)N4CCN(CC4)CCN(C)C)NCc5cccc(c5)Cl,
,,4MEP,,,,,,,
,,,24Y:A:201,valid,ic50,=,4.7,uM,Cc1cccnc1n2c(nc(n2)c3ccccc3)C4=CNC(=O)C(=C4)Cl,
,,4YH4,,,,,,,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,Y81:A:201,valid,ic50,=,26,uM,c1ccc(cc1)c2cc(cnc2)C(=O)N3CC(=O)Nc4c3cccc4,
,,5D3N,,,,,,,
,,,L40:A:201,valid,Kd,=,9.2,uM,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C,
,,6WGX,,,,,,,
,,,U0D:A:202,valid,ic50,=,0.15,uM,Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C,
,,,U0D:B:202,valid,ic50,=,0.15,uM,Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCN(CC4)CCN(C)C)c5ccc(cc5)C(F)(F)F)C,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,6HOV,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,FER:A:203,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,5D26,,,,,,,
,,,BU3:A:203,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NA:A:204,invalid,,,,,[Na+],
,,,L28:A:201,valid,Kd,=,0.81,uM,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N,
,,3MUK,,,,,,,
,,,ALA THR PRK ALA ALA ARG LYS SER:D:1,valid,Kd,=,380,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])C)C)C)CCCCNC(=O)CC)C(NC(=O)C([NH3+])C)C(O)C,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,4J3I,,,,,,,
,,,1K0:A:201,valid,Kd,=,8.93,uM,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,6X7D,,,,,,,
,,,UT4:A:201,valid,ic50,=,388,nM,c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2,
,,,UT4:B:201,valid,ic50,=,388,nM,c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)OCCO2,
,,4QB3,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,30M:A:201,valid,Kd,=,3.4,uM,CC(=O)NCCCCn1c2ccccc2c3c1CCNC3=O,
,,4LZS,,,,,,,
,,,L46:A:201,valid,Kd,=,16,uM,CCc1c(c([nH]c1C(=O)NC)C)C(=O)C,
,,6HDQ,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,FZE:A:202,valid,ic50,=,5.01,uM,Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5,
,,4O71,,,,,,,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,CPB:B:201,valid,ic50,=,18,uM,C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,
,,,CPB:A:201,valid,ic50,=,18,uM,C[N@]1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2OC(=CC3=O)c4ccccc4Cl)O)O,
,,4CFL,,,,,,,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,GOL:A:1171,invalid,,,,,C(C(CO)O)O,
,,,8DQ:A:1169,valid,Kd,=,1.33,uM,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4,
,,4C67,,,,,,,
,,,L5S:A:1170,valid,,,,,Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1172,invalid,,,,,C(CO)O,
,,6V1K,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,5SW:A:201,valid,,,,,CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC,
,,4QR3,,,,,,,
,,,BNJ:A:201,valid,ic50,=,1.4,uM,c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(=O)N3,
,,4ZC9,,,,,,,
,,,4MW:A:4000,valid,,,,,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O)c7ccc(cc7)Cl)C,
,,4MEO,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,25V:A:202,valid,,,,,Cc1cc(c2ccccc2[n+]1[O-])c3cccc(c3)NC(=O)C,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,6UVM,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,QJA:A:201,valid,Kd,=,510,uM,CC(=O)N1CC[C@H](SC=C1)c2cccs2,
,,4LRG,,,,,,,
,,,1XB:A:201,valid,ic50,=,0.026,uM,Cc1c(sc-2c1C(=N[C@H](c3c2c(no3)C)CC(=O)N)c4ccc(cc4)Cl)C,
,,6CKS,,,,,,,
,,,F5Y:A:201,valid,ic50,=,0.015,uM,CCS(=O)(=O)c1ccc(c(c1)C2=CN(C(=O)c3c2cc(cc3)c4cnn(c4)C)C)OC,
,,6DJC,,,,,,,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,CF6:A:501,valid,Ki,=,232.8,nM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCCCCCCCCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C,
,,5TI3,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,7CG:A:205,valid,ic50,=,44,uM,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3cc(ccc3Br)Br,
,,4HXP,,,,,,,
,,,1A5:A:201,valid,,,,,c1cc(ccc1C(=O)N)N2CCOC2=O,
,,6PSB,,,,,,,
,,,Y18:A:201,valid,ic50,=,24,uM,CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O,
,,6CD4,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EX1:A:201,valid,ic50,=,5.14,uM,CC(C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,
,,4O7E,,,,,,,
,,,2RN:A:203,valid,ic50,=,5.7,uM,c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O,
,,,2RN:A:201,valid,ic50,=,5.7,uM,c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O,
,,,2RN:B:202,valid,ic50,=,5.7,uM,c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O,
,,,2RN:B:201,valid,ic50,=,5.7,uM,c1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4cccc(c4)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4O74,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,R78:A:201,valid,ic50,=,0.025,uM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,,R78:B:201,valid,ic50,=,0.025,uM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,,PEG:B:203,invalid,,,,,C(COCCO)O,
,,4BW2,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,UTH:A:1170,valid,ic50,=,6.31,uM,Cc1c(c(on1)C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)(C)C,
,,5CS8,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,EB8:A:201,valid,ic50,=,2.29,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccccc4C(=O)OC,
,,3U5J,,,,,,,
,,,08H:A:1,valid,Kd,=,2.46,uM,Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl,
,,,EDO:A:169,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,5EIS,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,5OU:A:201,valid,Kd,=,1.8,uM,CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl,
,,6FO5,,,,,,,
,,,DZH:A:201,valid,Kd,=,0.19,uM,CCn1cnc2c1C(=O)NC(=O)N2Cc3ccc(cc3)CNS(=O)(=O)c4ccc5c(c4)CCCC(=O)N5,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6V1L,,,,,,,
,,,5U6:A:201,valid,Kd,=,418,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC,
,,3U5L,,,,,,,
,,,08K:A:1,valid,Kd,=,0.64,uM,Cc1nnc2n1-c3ccc(cc3C(=NN2C)c4ccccc4)Cl,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,4QR4,,,,,,,
,,,BNK:A:201,valid,ic50,=,0.25,uM,c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=O)NC3CCCC3)Cl,
,,4O7A,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,2RF:A:201,valid,ic50,=,19,uM,c1cc(cc(c1)Cl)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O,
,,5F61,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,5W0:A:203,valid,Kd,=,35,nM,Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C,
,,,5W0:B:208,valid,Kd,=,35,nM,Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(c(c3)F)N4CCN(CC4)C,
,,4HXN,,,,,,,
,,,1A7:A:201,valid,,,,,c1ccc(c(c1)C2=CSC(=O)N2)F,
,,6DL2,,,,,,,
,,,GUJ:A:201,valid,Ki,=,33,nM,Cc1c(c2c(s1)-n3c(nnc3COC2)C)Cc4ccccc4,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5Z5U,,,,,,,
,,,96U:A:201,valid,,,,,c1cn(cn1)c2cc(nc3c2cc(cc3O)O)N,
,,5TI4,,,,,,,
,,,7CM:A:201,valid,ic50,=,26,uM,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,5Y8C,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,8P9:A:203,valid,ic50,=,0.16,uM,Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Cl,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,4NUD,,,,,,,
,,,NUD:A:201,valid,Ki,<,0.0845,uM,Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4O7B,,,,,,,
,,,2RJ:A:201,valid,ic50,=,20,uM,Cc1cccc(c1C)Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5CPE,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EB2:A:203,valid,ic50,=,0.45,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCCC4,
,,5MLI,,,,,,,
,,,82I:A:201,valid,ic50,=,130,uM,CNC1=C(C(=O)N(N=C1)C)Cl,
,,5DW2,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,5GD:A:201,valid,Kd,=,1.44,uM,Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC,
,,5D3P,,,,,,,
,,,57E:A:201,valid,Kd,=,7.4,uM,CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C,
,,,NI:A:202,invalid,,,,,[Ni+2],
,,4PCE,,,,,,,
,,,2N0:A:302,valid,ic50,=,7,uM,CCc1cc2c(n1Cc3ccccc3)CCCC2=O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,5D25,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,BU3:A:203,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,56M:A:201,valid,Kd,=,0.46,uM,CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c(c(c([nH]2)C)C(=O)C)C)O,
,,5DLZ,,,,,,,
,,,5D1:A:201,valid,Kd,=,1.8,uM,Cc1cccc(c1)CN2CCC(CC2)CNC(=O)CCCOC3=CC(=O)N(c4c3cccc4)C,
,,5Y8W,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,8PU:A:201,valid,ic50,=,0.23,uM,Cc1c2cc(c(cc2on1)O)NS(=O)(=O)c3cc(ccc3OC)Br,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,NA:A:208,Part of Protein,,,,,[Na+],
,,,NO3:A:207,invalid,,,,,[N+](=O)([O-])[O-],
,,4J0R,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,IOD:A:206,invalid,,,,,[I-],
,,,1H2:A:205,valid,ic50,=,0.386,uM,Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O,
,,6MH7,,,,,,,
,,,JQY:B:201,valid,ic50,=,1.3,uM,Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,
,,,JQY:A:201,valid,ic50,=,1.3,uM,Cc1ccc(cc1C)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,5F60,,,,,,,
,,,5VZ:A:201,valid,Kd,=,43,nM,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(cc3)N4CCN(CC4)C,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,5Z5V,,,,,,,
,,,96X:A:201,valid,ic50,=,287,nM,CC(=O)Nc1cc(c2cccc(c2n1)O)Cn3ccnc3,
,,4HXO,,,,,,,
,,,1A6:A:201,valid,,,,,Cc1cc(on1)CSc2nnc3n2cccc3,
,,5CRM,,,,,,,
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,EB5:A:203,valid,ic50,=,1.09,uM,CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC,
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,6YQN,,,,,,,
,,,P8T:A:203,valid,ic50,=,0.72,uM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5CQT,,,,,,,
,,,EB3:A:201,valid,Kd,=,0.124,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CCCCC4,
,,5KHM,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,XNH:A:201,valid,Ki,=,5.012,nM,C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)OC)C,
,,6XV3,,,,,,,
,,,O2B:A:4000,valid,,,,,Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C,
,,,O2B:C:201,valid,,,,,Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C,
,,,O2B:B:201,valid,,,,,Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C,
,,,O2B:D:201,valid,,,,,Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)c5ccccc5)N6CCOC[C@@H]6C,
,,4Z1S,,,,,,,
,,,559:A:201,valid,ic50,=,0.79,uM,Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N,
,,,559:B:201,valid,ic50,=,0.79,uM,Cc1nnc2n1-c3ccc(cc3N(C[C@@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N,
,,4MR3,,,,,,,
,,,1K0:A:202,valid,,,,,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5MKZ,,,,,,,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,RNK:A:201,valid,ic50,=,20,uM,Cc1ccsc1CNC2=C(C(=O)N(N=C2)C)Cl,
,,5ULA,,,,,,,
,,,5MJ:A:201,valid,Ki,=,77,nM,CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC,
,,,5MJ:B:201,valid,Ki,=,77,nM,CC1=C(CCC1=O)Nc2ccc(cc2Cl)C(=O)Nc3ccc(cc3)OC,
,,4O78,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,SAV:A:201,valid,ic50,=,4.6,uM,Cc1c2ccc(cc2[nH]n1)Nc3ccnc(n3)Nc4cc(c(c(c4)OC)OC)OC,
,,,PGE:A:207,invalid,,,,,C(COCCOCCO)O,
,,6XVC,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,O32:B:203,valid,,,,,Cc1nnc2n1cc(cc2)c3cc4c(cccn4)c(c3)O[C@H](C)[C@@H]5CC(=O)NC5,
,,4OGJ,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,2TA:A:203,valid,Kd,=,164,nM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4,
,,,2TA:B:202,valid,Kd,=,164,nM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4,
,,5A85,,,,,,,
,,,EDO:A:1168,invalid,,,,,C(CO)O,
,,,78J:A:1169,valid,ic50,=,5.01,uM,CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4,
,,5TI6,,,,,,,
,,,7CO:A:201,valid,ic50,=,21,uM,c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,6MAU,,,,,,,
,,,JBS:A:201,valid,,,,,Cc1c(c(on1)C)c2ccc3c(c2)c(nc(n3)c4cnn(c4)CC(C)(C)O)N5CCOC[C@@H]5c6ccccc6,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6S4B,,,,,,,
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,BU3:A:301,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,KUH:A:302,valid,Kd,=,0.14,uM,CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c([nH]2)C)C(=O)CCCC3)OC,
,,6Q3Z,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,HG8:B:201,valid,Kd,=,44,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C,
,,,HG8:A:201,valid,Kd,=,44,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C,
,,6V0U,,,,,,,
,,,BMF:A:201,valid,Kd,=,392,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6VUC,,,,,,,
,,,RLS:A:201,valid,ic50,=,144,uM,CN1C[C@H](CC1=O)c2ccc(cc2)S(=O)(=O)N3CCCCC3,
,,4MR4,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,1K0:A:204,valid,,,,,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,4QR5,,,,,,,
,,,BNM:A:201,valid,ic50,=,0.06,uM,c1c(cc(cc1NC(=O)C2CC2)S(=O)(=O)NC3CCCC3)C4=CSC(=O)N4,
,,4MEQ,,,,,,,
,,,25O:A:202,valid,,,,,Cc1cc(n2c(n1)nc(n2)N)c3ccccc3,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,4O77,,,,,,,
,,,2RE:A:201,valid,ic50,=,2.5,uM,c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O,
,,,2RE:B:201,valid,ic50,=,2.5,uM,c1cc(ccc1c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4)O,
,,6XUZ,,,,,,,
,,,O1W:A:201,valid,,,,,Cc1nnc2n1cc(nc2NC(C)C)c3nc4cnc(cc4n3[C@@H](C)COC)N5CCOC[C@@H]5C,
,,5EI4,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,5NV:A:202,valid,ic50,=,26.4,uM,CCn1c(nc2c1C(=O)NC(=O)N2Cc3ccc(cc3)Cl)CSc4[nH]nc(n4)N,
,,5CY9,,,,,,,
,,,E0A:A:202,valid,Kd,=,0.218,uM,CCCCS(=O)(=O)Nc1ccc2c3c1cccc3C(=O)N2CC,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,6MH1,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,JQP:B:201,valid,ic50,=,1.7,uM,Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C,
,,,JQP:A:201,valid,ic50,=,1.7,uM,Cc1cc(cc(c1)Nc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F)C,
,,5CRZ,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,EB7:A:204,valid,ic50,=,0.45,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F,
,,5Y93,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,8Q9:A:201,valid,ic50,=,2.27,uM,Cc1c2cc(c(cc2on1)OCC(=O)NCCN3CCOCC3)NS(=O)(=O)c4cc(ccc4OC)Br,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,5AD2,,,,,,,
,,,ETU:A:1169,valid,Kd,=,63,nM,C[C@@H]1C(=O)N(CCN1CCOc2ccc(cc2)C3CCN(CC3)c4ccc5nnc(n5n4)Cl)C,
,,4E96,,,,,,,
,,,0NS:A:201,valid,ic50,=,0.22,uM,CN1Cc2cc(ccc2NC1=O)NS(=O)(=O)c3ccccc3OC,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,NA:A:202,invalid,,,,,[Na+],
,,5D0C,,,,,,,
,,,E0B:A:206,valid,Kd,=,2.34,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4CCN(CC4)C(=O)C,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,4O7F,,,,,,,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,2RQ:A:201,valid,ic50,=,13,uM,COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,
,,,2RQ:B:201,valid,ic50,=,13,uM,COc1ccccc1Oc2nccc(n2)c3c(ncn3C4CCNCC4)c5ccc(cc5)F,
,,5CP5,,,,,,,
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,EB0:A:201,valid,Kd,=,1.234,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)Nc4ccc(cc4)F,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4CFK,,,,,,,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,GOL:A:1169,invalid,,,,,C(C(CO)O)O,
,,,LY2:A:1170,valid,Kd,=,1.83,uM,c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4,
,,5D3R,,,,,,,
,,,57C:A:201,valid,,,,,CCCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N3CCCCCC3)C)C(=O)C,
,,4NUC,,,,,,,
,,,435:A:201,valid,Ki,=,0.91,uM,Cc1cc(cc(c1O)C)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4HXL,,,,,,,
,,,1A9:A:201,valid,ic50,=,2.2,uM,c1cc(sc1)S(=O)(=O)Nc2cc(cc(c2)NC(=O)CCC3CCCCC3)C4=CSC(=O)N4,
,,6CIY,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,F3J:A:201,valid,ic50,=,0.41,uM,CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCC7,
,,5D3L,,,,,,,
,,,57F:A:201,valid,Kd,=,0.88,uM,CCc1c(c([nH]c1C(=O)Nc2cc(c(cc2O)C)S(=O)(=O)N(CC)CC)C)C(=O)C,
,,4A9L,,,,,,,
,,,EDO:A:1168,invalid,,,,,C(CO)O,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,NO3:A:1172,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:1173,invalid,,,,,[N+](=O)([O-])[O-],
,,,P9L:A:1171,valid,,,,,CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3,
,,4XYA,,,,,,,
,,,43S:A:201,valid,Kd,=,1370,nM,c1coc2c1cc(cc2c3c4c([nH]cn4)nc(n3)N)Br,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4C66,,,,,,,
,,,H4C:A:1168,valid,,,,,CCc1cc2c(s1)-[n+]3c([nH]nc3CN=C2c4ccccc4Cl)C,
,,6UWU,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,QKP:A:206,valid,ic50,~,70,nM,Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3,
,,4O76,,,,,,,
,,,1M3:B:201,valid,ic50,=,0.13,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,,1M3:C:201,valid,ic50,=,0.13,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,,1M3:D:201,valid,ic50,=,0.13,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,,1M3:A:201,valid,ic50,=,0.13,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5LJ2,,,,,,,
,,,6XW:A:204,valid,ic50,=,10,uM,CC1=Cc2c(cnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCS(=O)(=O)CC4)c5cc(cnc5)N,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6CD5,,,,,,,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,R4L:A:201,valid,,,,,CN1CCN(CC1)C2CCN(CC2)C(=O)c3ccc(c(c3)OC)Nc4ncc5c(n4)N(c6ccccc6C(=O)N5C)C7CCCC7,
,,5I80,,,,,,,
,,,67B:A:201,valid,Kd,=,62,nM,CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,4O75,,,,,,,
,,,2RC:A:201,valid,ic50,=,21,uM,CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)(O)O)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5NNF,,,,,,,
,,,PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU:B:217,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)C)Cc2ccc(O)cc2)CCCCNC(=O)C)Cc2nc[nH]c2)CCC1)CC(C)C)C([NH3+])Cc1ccccc1,
,,3ZYU,,,,,,,
,,,1GH:A:1173,valid,ic50,=,0.1,uM,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5,
,,,1GH:B:1171,valid,ic50,=,0.1,uM,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1172,invalid,,,,,C(CO)O,
,,,EDO:B:1168,invalid,,,,,C(CO)O,
,,,EDO:B:1169,invalid,,,,,C(CO)O,
,,,EDO:B:1170,invalid,,,,,C(CO)O,
,,4Z1Q,,,,,,,
,,,558:A:201,valid,ic50,=,0.015,uM,Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N,
,,,558:B:201,valid,ic50,=,0.015,uM,Cc1nnc2n1-c3ccc(cc3N(C[C@H]2C)c4ccc(cc4)Cl)c5ccc(nc5)N,
,,6SA3,,,,,,,
,,,L2N:A:201,valid,Kd,=,0.42,uM,Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCN(CC4)C)CCCCC2=O,
,,5IGK,,,,,,,
,,,BMF:A:202,valid,Kd,=,41.8,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5Y1Y,,,,,,,
,,,HNQ:A:201,valid,ic50,=,0.98,uM,c1cc2c(ccc(c2nc1)O)[N+](=O)[O-],
,,5Z5T,,,,,,,
,,,96R:A:201,valid,,,,,c1cc2c(cc(nc2c(c1)O)N)n3ccnc3,
,,6V1U,,,,,,,
,,,QMG:A:201,valid,,,,,Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5KDH,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,6RX:A:201,valid,Ki,=,0.37,uM,CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O,
,,4PS5,,,,,,,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,2TA:A:201,valid,ic50,=,0.29,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4,
,,,2TA:B:201,valid,ic50,=,0.29,uM,Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4,
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,5D24,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,L26:A:201,valid,Kd,=,5.8,uM,CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C)C(=O)C,
,,5ACY,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,9S3:B:1169,valid,Kd,=,6.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5,
,,,9S3:A:1172,valid,Kd,=,6.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5,
,,5HCL,,,,,,,
,,,5Y9:A:201,valid,ic50,=,6,mM,CC(=O)N(C)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5COI,,,,,,,
,,,55K:A:201,valid,ic50,=,2.58,uM,CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NCC4(CCCC4)C(=O)O,
,,6UWX,,,,,,,
,,,QKD:A:202,valid,Kd,=,290,uM,CCOC(=O)N1CC[C@H](SCC1)c2cccs2,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,5Y8Y,,,,,,,
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,8PX:A:206,valid,Kd,=,82,nM,Cc1c2cc(c(cc2on1)OC)NS(=O)(=O)c3cc(ccc3OC)Br,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,4HXM,,,,,,,
,,,1A8:A:201,valid,ic50,=,0.79,uM,CCCC(=O)Nc1cc(cc(c1)NS(=O)(=O)c2cccs2)C3=CSC(=O)N3,
,,5F62,,,,,,,
,,,5W1:A:201,valid,Kd,=,6.8,nM,Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)Cl)Nc3ccc(c(c3)F)N4CCN(CC4)C,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,5D3S,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,BU3:A:203,invalid,,,,,C[C@H]([C@@H](C)O)O,
,,,579:A:201,valid,Kd,=,1.3,uM,CCc1c(c([nH]c1C(=O)Nc2ccc(c(c2)S(=O)(=O)N3CCOCC3)F)C)C(=O)C,
,,6YQP,,,,,,,
,,,P8N:A:204,valid,ic50,=,1.35,uM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/C=C/C(=O)NO)c5ccc(cc5)Cl)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,6AJX,,,,,,,
,,,HCC:A:201,valid,Kd,=,9.1,uM,c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,4LYW,,,,,,,
,,,21Q:A:1001,valid,Kd,=,237,nM,CCc1c(c([nH]c1C(=O)Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)C,
,,4HBV,,,,,,,
,,,15E:A:203,valid,ic50,=,23,uM,CN1Cc2cc(ccc2NC1=O)Br,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5LUU,,,,,,,
,,,77X:A:203,valid,Kd,=,8.63,uM,CCC(=O)N1CCc2c(c(n[nH]2)c3ccccc3)C1,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,4YH3,,,,,,,
,,,Y80:A:201,valid,ic50,=,26,uM,COc1ccc(cc1)/C=C(c2ccccc2)/C(=O)N3CC(=O)Nc4c3cccc4,
,,6AJV,,,,,,,
,,,HCC:A:202,valid,Kd,=,9.1,uM,c1cc(ccc1C=CC(=O)c2ccc(cc2O)O)O,
,,,DMS:A:203,invalid,,,,,CS(=O)C,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,6CZV,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,FOY:A:201,valid,ic50,=,0.23,uM,Cc1c(c(on1)C)C2=CN(C(=O)C=C2)Cc3ccccc3,
,,4X2I,,,,,,,
,,,FMT:A:201,invalid,,,,,C(=O)O,
,,,3X0:A:202,valid,ic50,=,0.35,uM,Cc1nnc2n1-c3ccccc3N(C[C@H]2C)c4ccc(cc4)Cl,
,,6CJ1,,,,,,,
,,,F2S:A:201,valid,,,,,CC[C@@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,FND:A:202,valid,ic50,=,6.31,uM,CC[C@H](C)N1c2ccccc2C(=O)N(c3c1nc(nc3)Nc4ccc(cc4OC)C(=O)N5CCC(CC5)N6CCN(CC6)C)C,
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:207,invalid,,,,,[N+](=O)([O-])[O-],
,,5F5Z,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,5VY:A:201,valid,Kd,=,86,nM,Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C,
,,6UVJ,,,,,,,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,QJ1:A:205,valid,Kd,=,20,uM,COC(=O)N1CC[C@H](SCC1)c2cccs2,
,,6FNX,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,DYZ:A:201,valid,ic50,=,12.6,uM,CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3,
,,4HBY,,,,,,,
,,,13F:A:201,valid,ic50,=,4.4,uM,CN1Cc2cc(ccc2NC1=O)S(=O)(=O)Nc3ccccc3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5D3J,,,,,,,
,,,L33:A:201,valid,Kd,=,5.7,uM,CCc1c(c([nH]c1C(=O)Nc2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C,
,,6AJY,,,,,,,
,,,A0R:A:201,valid,Kd,=,5.3,uM,COc1ccccc1/C=C/C(=O)c2ccc(cc2O)O,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,3MUL,,,,,,,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,GLY GLY BTK ALA PRO ARG LYS GLN:D:1,valid,,,,,O=C(NC(C=O)CCCCNC(=O)CCC)CN,
,,4LR6,,,,,,,
,,,FMT:A:201,invalid,,,,,C(=O)O,
,,,FMT:A:202,invalid,,,,,C(=O)O,
,,,1XA:A:203,valid,ic50,=,33,uM,Cc1c(c(on1)N)c2ccccc2,
,,5AD3,,,,,,,
,,,K6K:B:1169,valid,Kd,=,7.9,nM,CN(CCOc1ccc(cc1)C2CCN(CC2)c3ccc4nnc(n4n3)OC)c5ccc6nnc(n6n5)OC,
,,4PCI,,,,,,,
,,,2NJ:A:201,valid,ic50,=,7.5,uM,CN1c2ccccc2N[C@@H](CC1=O)c3ccccc3,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5D3T,,,,,,,
,,,56Y:A:201,valid,Kd,=,12,uM,CCc1c(c([nH]c1C(=O)N(C)Cc2cccc(c2)C(=O)N)C)C(=O)C,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,6SAH,,,,,,,
,,,L2W:A:201,valid,Kd,=,0.26,uM,Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2=O,
,,5LJ1,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,6XX:A:202,valid,ic50,>,0.0000316,M,Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4[C@H](CNC[C@H]4OCC5CCC(CC5)(F)F)OC,
,,4O70,,,,,,,
,,,1QK:A:201,valid,ic50,=,19,uM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,,1QK:B:201,valid,ic50,=,19,uM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,,1QK:A:202,valid,ic50,=,19,uM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,4XY9,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,43U:A:202,valid,Kd,=,4651,nM,COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br,
,,3MXF,,,,,,,
,,,DMS:A:171,invalid,,,,,CS(=O)C,
,,,EDO:A:170,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,IOD:A:169,invalid,,,,,[I-],
,,,JQ1:A:1,valid,,,,,Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,
,,5CFW,,,,,,,
,,,53W:A:201,valid,Kd,=,0.78,uM,Cc1c(c(on1)C)c2ccc3c(c2)nc(n3CCN4CCOCC4)CCc5ccc(cc5)OC,
,,5A5S,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,NP8:A:1170,valid,ic50,=,1.3,uM,CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4cc(cnc4)OC,
,,4UIY,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,5V2:A:1172,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=N)NC3CCS(=O)(=O)CC3)C1=O)c4cccc(c4)C(F)(F)F,
,,6PS9,,,,,,,
,,,Y17:A:201,valid,ic50,=,79,uM,CN1C[C@@H](CC1=O)CCn2c3ccccc3c4c2CCNC4=O,
,,4LZR,,,,,,,
,,,LOC:A:201,valid,Kd,=,20,uM,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,,6PRT,,,,,,,
,,,OWA:A:201,valid,ic50,=,2120,uM,CN1C[C@H](CC1=O)CC(=O)OC,
,,4BW1,,,,,,,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,S5B:A:1172,valid,ic50,=,1.26,uM,Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O,
,,6YQO,,,,,,,
,,,P8Q:A:204,valid,ic50,=,4.53,uM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)Cl)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,4MEN,,,,,,,
,,,25K:A:202,valid,,,,,Cc1ccc(cc1)CN(C)c2cc(nc3n2ncn3)C,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,6CIS,,,,,,,
,,,X26:A:201,valid,ic50,=,0.3,uM,CC(C)Oc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C5CCCC5)C(=O)N6CCC(CC6)N7CCN(CC7)C,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,6CKR,,,,,,,
,,,F5V:B:201,valid,ic50,=,0.05,uM,Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C,
,,,F5V:A:201,valid,ic50,=,0.05,uM,Cn1cc(cn1)c2ccc3c(c2)C(=CN(C3=O)C)c4cccc(c4)NS(=O)(=O)C,
,,4UIZ,,,,,,,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,N1D:A:1171,valid,ic50,=,0.00001995,M,CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC,
,,5KJ0,,,,,,,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,6TB:A:201,valid,ic50,=,130,nM,CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)N(C)c4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C,
,,4KV1,,,,,,,
,,,THR PHE ALY SER ILE MET LYS:D:200,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1)CCCCNC(=O)C)CO)C(CC)C)C(=O)NC(C=O)CCCC[NH3+])C,
,,,THR PHE ALY SER ILE MET LYS:C:200,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1)CCCCNC(=O)C)CO)C(CC)C)C(=O)NC(C=O)CCCC[NH3+])C,
,,5EGU,,,,,,,
,,,5NQ:B:201,valid,Kd,=,1.4,uM,CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C,
,,,5NQ:C:201,valid,Kd,=,1.4,uM,CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C,
,,,5NQ:A:201,valid,Kd,=,1.4,uM,CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C,
,,,5NQ:D:201,valid,Kd,=,1.4,uM,CCCCc1c(nc2nc(nn2c1C)SCc3nc4c(n3CC)C(=O)NC(=O)N4CCCC)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,5Y8Z,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,8Q3:A:201,valid,ic50,=,0.62,uM,Cc1cc2c(cc1NS(=O)(=O)c3cc(ccc3OC)Br)c(no2)C,
,,6VUB,,,,,,,
,,,RLG:A:201,valid,ic50,=,629,uM,CN1C[C@H](CC1=O)c2ccccc2,
,,4BW3,,,,,,,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,EDO:A:1171,invalid,,,,,C(CO)O,
,,,EDO:A:1169,invalid,,,,,C(CO)O,
,,,9BM:A:1172,valid,ic50,=,501,nM,Cc1c(c(on1)C)c2cc3c(c(c(cn3)C(=O)O)Nc4ccccc4C(C)(C)C)nc2OC,
,,3U5K,,,,,,,
,,,08J:A:1,valid,,,,,Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,
,,,08J:B:2,valid,,,,,Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,
,,,08J:C:3,valid,,,,,Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,
,,,08J:D:4,valid,,,,,Cc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl,
,Family. Representative Entry is ,5WC2,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4Y1B,,,,,,,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4Y0K,,,,,,,
,,,NAP:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,5X4Q,,,,,,,
,,,K:A:803,invalid,,,,,[K+],
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,7Z6:A:801,valid,Kd,=,0.078,uM,c1cc(cnc1)CNc2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl,
,,6TOM,,,,,,,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,NQZ:A:201,valid,ic50,=,0.52,uM,C[C@@H]1CN(C[C@@H](C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl,
,,6TOJ,,,,,,,
,,,NQQ:A:201,valid,ic50,=,0.86,uM,CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,5X9O,,,,,,,
,,,K:A:803,Part of Protein,,,,,[K+],
,,,80R:A:801,valid,Kd,=,5,uM,c1cc2c(cc1Nc3ccc(cc3Cl)[N+](=O)[O-])NC(=O)N2,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,5X4P,,,,,,,
,,,7ZO:A:801,valid,Kd,=,9.3,uM,c1cc2c(cc1Nc3c(cncn3)Cl)CC(=O)N2,
,,5X4O,,,,,,,
,,,YAM:A:801,valid,Kd,=,88,uM,CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C,
,,5H7H,,,,,,,
,,,ACE TRP ARG VAL PRO:C:900,valid,ic50,=,170,uM,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N,
,,,ACE TRP ARG VAL PRO:B:800,valid,ic50,=,170,uM,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)CCCNC(=[NH2+])N,
,,,EDO:A:1000,invalid,,,,,C(CO)O,
,,5X4N,,,,,,,
,,,7ZL:A:801,valid,Kd,=,68,uM,c1ccc(cc1)Nc2c(cnc(n2)N)Cl,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,5X4M,,,,,,,
,,,7ZF:A:801,valid,Kd,=,1200,uM,c1ccc(cc1)Nc2ncnc(n2)N,
,,5X9P,,,,,,,
,,,80L:A:801,valid,ic50,=,0.13,uM,c1cc2c(cc1Nc3cc(c(cc3Cl)[N+](=O)[O-])NCCC(=O)O)NC(=O)N2,
,,6TOL,,,,,,,
,,,NQW:A:201,valid,ic50,=,0.15,uM,C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,DMS:A:210,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,6DO3,,,,,,,
,,,PRO PRO PRO MET ALA GLY GLY:C:85,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(=O)NC(C(=O)NCC(=O)NCC(=O)[O-])C)C,
,,,PRO PRO PRO MET ALA GLY GLY:D:85,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(=O)NC(C(=O)NCC(=O)NCC(=O)[O-])C)C,
,,6DO5,,,,,,,
,,,ILE GLY LEU LEU GLY GLY:C:666,valid,,,,,O=C(NC(C(=O)NCC(=O)NCC(=O)[O-])CC(C)C)C(NC(=O)CNC(=O)C([NH3+])C)CC(C)C,
,,,ILE GLY LEU LEU GLY GLY:D:666,valid,,,,,O=C(NC(C(=O)NCC(=O)NCC(=O)[O-])CC(C)C)C(NC(=O)CNC(=O)C([NH3+])C)CC(C)C,
,,6DO4,,,,,,,
,,,GLY PRO SER SER GLY GLY:D:182,valid,,,,,O=C(NC(C(=O)NCC(=O)NCC(=O)[O-])CO)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)CO,
,,,GLY PRO SER SER GLY GLY:C:182,valid,,,,,O=C(NC(C(=O)NCC(=O)NCC(=O)[O-])CO)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)CO,
,Family. Representative Entry is ,4KBS,,,,,,,
,,,PX2:A:301,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC,
,,,PX2:B:301,valid,,,,,CCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCC,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,4K85,,,,,,,
,,,1PZ:C:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O,
,,,1PZ:A:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O,
,,,1PZ:B:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O,
,,,1PZ:D:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)CCCCCCCCCCC)O,
,,4K80,,,,,,,
,,,1PW:A:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,4K84,,,,,,,
,,,1PX:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,
,,,1PX:B:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O,
,Family. Representative Entry is ,2Y3S,,,,,,,
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:A:1505,invalid,,,,,[Cl-],
,,,CL:B:1502,invalid,,,,,[Cl-],
,,,CL:B:1504,invalid,,,,,[Cl-],
,,,CL:B:1505,invalid,,,,,[Cl-],
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1503,invalid,,,,,C(C(CO)O)O,
,,,MG:B:800,invalid,,,,,[Mg+2],
,,,MG:A:800,invalid,,,,,[Mg+2],
,,,TIR:B:700,valid,,,,,C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C3/C(=O)CNC3=O)O)C)C)O,
,,,TIR MG:A:700,valid,,,,,O=C1C(=C(O)C=CC(=CC(C)C2C(C)C3C(O)C=C(C)C(C)(O2)O3)C)C(=O)CN1.[Mg+2],
,,2Y3R,,,,,,,
,,,CL:A:1501,invalid,,,,,[Cl-],
,,,CL:B:1502,invalid,,,,,[Cl-],
,,,CL:C:1503,invalid,,,,,[Cl-],
,,,CL:C:1504,invalid,,,,,[Cl-],
,,,CL:D:1503,invalid,,,,,[Cl-],
,,,CL:D:1504,invalid,,,,,[Cl-],
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1502,invalid,,,,,C(C(CO)O)O,
,,,MG:A:800,invalid,,,,,[Mg+2],
,,,MG:B:800,invalid,,,,,[Mg+2],
,,,MG:C:800,invalid,,,,,[Mg+2],
,,,MG:D:800,invalid,,,,,[Mg+2],
,,,TIR:A:700,valid,,,,,C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C3/C(=O)CNC3=O)O)C)C)O,
,,,TIR:C:700,valid,,,,,C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C3/C(=O)CNC3=O)O)C)C)O,
,,,TRK:B:700,valid,,,,,C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(C)/C=C/C(=C/3C(=O)CNC3=O)/O)C)C,
,,,TRK:D:700,valid,,,,,C[C@H]1[C@H]2C(=O)C=C([C@](O2)(O[C@@H]1[C@H](C)/C=C(C)/C=C/C(=C/3C(=O)CNC3=O)/O)C)C,
,,2Y4G,,,,,,,
,,,CL:A:1501,invalid,,,,,[Cl-],
,,,CL:A:1502,invalid,,,,,[Cl-],
,,,CL:A:1503,invalid,,,,,[Cl-],
,,,CL:A:1504,invalid,,,,,[Cl-],
,,,CL:B:1501,invalid,,,,,[Cl-],
,,,FAD:A:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1502,invalid,,,,,C(C(CO)O)O,
,,,MG:A:700,invalid,,,,,[Mg+2],
,,,MG:A:900,invalid,,,,,[Mg+2],
,,,MG:B:700,invalid,,,,,[Mg+2],
,,,MG:B:900,invalid,,,,,[Mg+2],
,,,TIR:A:800,valid,,,,,C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C3/C(=O)CNC3=O)O)C)C)O,
,,,TIR:B:800,valid,,,,,C[C@H]1[C@H]2[C@H](C=C([C@](O2)(O[C@@H]1[C@H](C)C=C(/C)C=CC(=C3/C(=O)CNC3=O)O)C)C)O,
,Family. Representative Entry is ,5GQI,,,,,,,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CTP:A:306,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,5GQL,,,,,,,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CTP:A:304,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,2OH6,,,,,,,
,,,CL:A:249,invalid,,,,,[Cl-],
,,,CTP:A:254,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,GTP:A:252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ATP:A:253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:250,invalid,,,,,[Mg+2],
,,5EXZ,,,,,,,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,GTP:A:307,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CTP:A:306,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,5EXY,,,,,,,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,GTP:A:307,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CTP:A:306,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,2OH7,,,,,,,
,,,ATP:A:253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:249,invalid,,,,,[Cl-],
,,,CTP:A:254,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,GTP:A:252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:250,invalid,,,,,[Mg+2],
,,,MG:A:251,invalid,,,,,[Mg+2],
,,5GQJ,,,,,,,
,,,ATP:A:304,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CTP:A:305,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,5AXU,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,CTP:A:303,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,2OH5,,,,,,,
,,,CL:A:249,invalid,,,,,[Cl-],
,,,CTP:A:254,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,GTP:A:252,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ATP:A:253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:250,invalid,,,,,[Mg+2],
,,5GQM,,,,,,,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CTP:A:306,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,GTP:A:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5AXV,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CTP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5M0T,,,,,,,
,,,AKG:A:306,invalid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3RV5,,,,,,,
,,,CA:B:108,Part of Protein,,,,,[Ca+2],
,,,CA:B:109,Part of Protein,,,,,[Ca+2],
,,,CA:C:106,Part of Protein,,,,,[Ca+2],
,,,CD:A:101,invalid,,,,,[Cd+2],
,,,CD:A:102,invalid,,,,,[Cd+2],
,,,CD:A:103,invalid,,,,,[Cd+2],
,,,CD:A:104,invalid,,,,,[Cd+2],
,,,CD:A:105,invalid,,,,,[Cd+2],
,,,CD:B:101,invalid,,,,,[Cd+2],
,,,CD:B:102,invalid,,,,,[Cd+2],
,,,CD:B:103,invalid,,,,,[Cd+2],
,,,CD:B:104,invalid,,,,,[Cd+2],
,,,CD:B:105,invalid,,,,,[Cd+2],
,,,CD:B:106,invalid,,,,,[Cd+2],
,,,CD:B:107,invalid,,,,,[Cd+2],
,,,CD:C:101,invalid,,,,,[Cd+2],
,,,CD:C:102,invalid,,,,,[Cd+2],
,,,CD:C:103,invalid,,,,,[Cd+2],
,,,CD:C:104,invalid,,,,,[Cd+2],
,,,CD:C:105,invalid,,,,,[Cd+2],
,,,CD:D:101,invalid,,,,,[Cd+2],
,,,CD:D:102,invalid,,,,,[Cd+2],
,,,CD:D:103,invalid,,,,,[Cd+2],
,,,CD:D:104,invalid,,,,,[Cd+2],
,,,DXC:A:91,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:A:92,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:B:92,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:C:92,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:D:92,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,Family. Representative Entry is ,1H0A,,,,,,,
,,,DIO:A:1159,invalid,,,,,C1COCCO1,
,,,DIO:A:1160,invalid,,,,,C1COCCO1,
,,,DIO:A:1161,invalid,,,,,C1COCCO1,
,,,DIO:A:1162,invalid,,,,,C1COCCO1,
,,,DIO:A:1163,invalid,,,,,C1COCCO1,
,,,I3P:A:1164,valid,Kd,=,3.6,uM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5ERR,,,,,,,
,,,MPD:A:812,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:810,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:809,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:811,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,PO4:A:813,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,ADP:A:801,valid,Kd,=,260,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5ERU,,,,,,,
,,,MO:A:812,invalid,,,,,[Mo],
,,,MO:A:815,invalid,,,,,[Mo],
,,,MO:A:819,invalid,,,,,[Mo],
,,,MO:A:813,invalid,,,,,[Mo],
,,,MO:A:817,invalid,,,,,[Mo],
,,,MO:A:814,invalid,,,,,[Mo],
,,,MO:A:818,invalid,,,,,[Mo],
,,,MO:A:816,invalid,,,,,[Mo],
,,,MPD:A:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,MG:A:821,Part of Protein,,,,,[Mg+2],
,,,CA:A:809,invalid,,,,,[Ca+2],
,,,ADP:A:810,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:811,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MOO:A:820,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,6FGC,,,,,,,
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:810,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,ACT:A:809,invalid,,,,,CC(=O)[O-],
,,,ACT:A:814,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,ACT:A:815,invalid,,,,,CC(=O)[O-],
,,,ACT:A:811,invalid,,,,,CC(=O)[O-],
,,,MRD:A:805,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CA:A:801,invalid,,,,,[Ca+2],
,,,CL:A:817,invalid,,,,,[Cl-],
,,,MPD:A:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,D95:A:816,valid,,,,,C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C,
,,5ERS,,,,,,,
,,,AMP:A:801,valid,Kd,=,2,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,MPD:A:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:809,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:806,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,6FGD,,,,,,,
,,,CA:A:802,Part of Protein,,,,,[Ca+2],
,,,CA:A:801,invalid,,,,,[Ca+2],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,ACT:A:810,invalid,,,,,CC(=O)[O-],
,,,ACT:A:827,invalid,,,,,CC(=O)[O-],
,,,ACT:A:820,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,ACT:A:809,invalid,,,,,CC(=O)[O-],
,,,ACT:A:816,invalid,,,,,CC(=O)[O-],
,,,ACT:A:814,invalid,,,,,CC(=O)[O-],
,,,ACT:A:824,invalid,,,,,CC(=O)[O-],
,,,ACT:A:817,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:826,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:825,invalid,,,,,CC(=O)[O-],
,,,ACT:A:821,invalid,,,,,CC(=O)[O-],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,ACT:A:819,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,ACT:A:818,invalid,,,,,CC(=O)[O-],
,,,ACT:A:815,invalid,,,,,CC(=O)[O-],
,,,ACT:A:823,invalid,,,,,CC(=O)[O-],
,,,ACT:A:822,invalid,,,,,CC(=O)[O-],
,,,ACT:A:811,invalid,,,,,CC(=O)[O-],
,,,D8Z:A:831,valid,,,,,C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C,
,,,NA:A:828,Part of Protein,,,,,[Na+],
,,,MPD:A:830,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:829,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5ERT,,,,,,,
,,,PO4:A:804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:805,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,MN:A:803,Part of Protein,,,,,[Mn+2],
,,,MN:A:802,invalid,,,,,[Mn+2],
,,,MPD:A:809,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6HSN,,,,,,,
,,,3F8:D:401,invalid,,,,,C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O,
,,,ACT:A:810,invalid,,,,,CC(=O)[O-],
,,,ACT:A:808,invalid,,,,,CC(=O)[O-],
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,ACT:A:809,invalid,,,,,CC(=O)[O-],
,,,ACT:A:814,invalid,,,,,CC(=O)[O-],
,,,ACT:A:807,invalid,,,,,CC(=O)[O-],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,ACT:A:811,invalid,,,,,CC(=O)[O-],
,,,MG:A:802,invalid,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:816,Part of Protein,,,,,[Na+],
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:815,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PHE ASN ILE VAL GLY THR THR TYR PRO CYS:E:368,invalid,,,,,,
,,,PHE ASN ILE VAL GLY THR THR TYR PRO CYS:D:368,invalid,,,,,,
,,5ERV,,,,,,,
,,,MPD:A:815,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,W:A:805,invalid,,,,,[W+6],
,,,W:A:811,invalid,,,,,[W+6],
,,,W:A:806,invalid,,,,,[W+6],
,,,W:A:803,invalid,,,,,[W+6],
,,,W:A:810,invalid,,,,,[W+6],
,,,W:A:808,invalid,,,,,[W+6],
,,,W:A:809,invalid,,,,,[W+6],
,,,W:A:807,invalid,,,,,[W+6],
,,,W   WO4:A:804,invalid,,,,,,
,,,CA:A:814,invalid,,,,,[Ca+2],
,,,ACT:A:813,invalid,,,,,CC(=O)[O-],
,,,ACT:A:812,invalid,,,,,CC(=O)[O-],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5B5S,,,,,,,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,BOG:A:301,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO3:A:305,invalid,,,,,[O-]S(=O)[O-],
,Family. Representative Entry is ,5I7Y,,,,,,,
,,,69G:A:201,valid,Kd,=,52,nM,C/C=C/CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,,4UIW,,,,,,,
,,,EDO:A:1123,invalid,,,,,C(CO)O,
,,,H1B:A:1124,valid,ic50,=,0.00000001,M,CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,4UIV,,,,,,,
,,,EDO:A:1123,invalid,,,,,C(CO)O,
,,,XZB:A:1124,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,5JI8,,,,,,,
,,,6KT:A:301,valid,Kd,=,23.4,uM,c1cc2c(cc1C(=O)N)sc(n2)N,
,,5MKY,,,,,,,
,,,I0D:A:202,valid,ic50,=,2,uM,CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1,
,,,I0D:A:201,valid,ic50,=,2,uM,CN1CCc2c(cccc2NC3=C(C(=O)N(N=C3)C)Cl)C1,
,,4UIU,,,,,,,
,,,TVU:A:1123,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC3)C1=O)c4ccc(c(c4)OC)OC,
,,4UIT,,,,,,,
,,,N1D:A:1123,valid,ic50,=,0.00000001,M,CN1C=C(c2c(cc(s2)C(=O)N3CCN(CC3)S(=O)(=O)C)C1=O)c4ccc(c(c4)OC)OC,
,,5I40,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,PEG:A:205,invalid,,,,,C(COCCO)O,
,,,67N:A:206,valid,ic50,=,13.7,uM,CN1C=Cc2cc[nH]c2C1=O,
,,5I7X,,,,,,,
,,,67B:A:201,valid,Kd,=,53,nM,CN1C=C(c2cc[nH]c2C1=O)c3cccc(c3)C(=O)N(C)C,
,Family. Representative Entry is ,4DMG,,,,,,,
,,,SAM:A:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4KSY,,,,,,,
,,,1SY:A:500,valid,Kd,=,3.79,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,4EF4,,,,,,,
,,,C2E:A:401,valid,Kd,=,4.42,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,5BQX,,,,,,,
,,,4UR:A:401,valid,Kd,=,1.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,,6CY7,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:402,invalid,,,,,c1c[nH+]c[nH]1,
,,,2BA:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,6CFF,,,,,,,
,,,2BA:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,Family. Representative Entry is ,5L8N,,,,,,,
,,,6RQ:A:1001,valid,Kd,=,31,uM,Cc1cc2c(cc1C)nc([nH]2)N,
,,,6RQ:C:1001,valid,Kd,=,31,uM,Cc1cc2c(cc1C)nc([nH]2)N,
,,,PEG:B:2001,invalid,,,,,C(COCCO)O,
,,,PEG:C:1002,invalid,,,,,C(COCCO)O,
,,,PEG:A:1002,invalid,,,,,C(COCCO)O,
,,,PEG:B:2002,invalid,,,,,C(COCCO)O,
,,,P33:B:2003,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,,5L8O,,,,,,,
,,,PEG:A:2001,invalid,,,,,C(COCCO)O,
,,,PEG:B:1002,invalid,,,,,C(COCCO)O,
,,,CHD:B:1001,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,6QI4,,,,,,,
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,1PE:C:206,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:210,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:208,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:211,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:209,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,NA:B:205,Part of Protein,,,,,[Na+],
,,,NA:C:205,Part of Protein,,,,,[Na+],
,,,P6G:B:204,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:201,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,FKW:B:212,valid,Kd,=,43,uM,c1ccc2c(c1)c(c[nH]2)CC(=O)N/N=C/c3ccc(c(c3)O)[N+](=O)[O-],
,,,DMS:B:206,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,4WM8,,,,,,,
,,,DKA:A:900,valid,,,,,CCCCCCCCCC(=O)O,
,,5BNO,,,,,,,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5BNP,,,,,,,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4WM7,,,,,,,
,,,W11:A:301,valid,,,,,Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nc(on3)C(F)(F)F,
,,5BNN,,,,,,,
,,,BGC GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6VM6,,,,,,,
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A   A   A  :J:1,valid,,,,,,
,,,A   A   A  :G:1,valid,,,,,,
,,,A   A   A  :H:1,valid,,,,,,
,,,A   A   A  :I:1,valid,,,,,,
,,,A   A   A  :K:1,valid,,,,,,
,,6WAN,,,,,,,
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A   A   A  :J:1,valid,,,,,,
,,,A   A   A  :L:1,valid,,,,,,
,,,A   A   A  :G:1,valid,,,,,,
,,,A   A   A  :H:1,valid,,,,,,
,,,A   A   A  :I:1,valid,,,,,,
,,,A   A   A  :K:1,valid,,,,,,
,Family. Representative Entry is ,2YGM,,,,,,,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:B:505,Part of Protein,,,,,[Na+],
,,,NAG GAL FUC GLA:C:1,valid,Ka,=,69000,M^-1,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL FUC GLA:D:1,valid,Ka,=,69000,M^-1,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3RT4,,,,,,,
,,,LP5:C:501,valid,Kd,=,1.6,nM,CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O,
,,,TLA:C:6748,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,3NG4,,,,,,,
,,,GOL:D:172,invalid,,,,,C(C(CO)O)O,
,,,NAG:C:173,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SRT:C:172,invalid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,3NW3,,,,,,,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,TLA:D:201,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,DGN ALA NDG LAC:D:203,valid,Kd,=,0.32,uM,O=C([O-])C(NC(=O)C(NC(=O)C(OC1C(O)C(CO)OC(O)C1NC(=O)C)C)C)CCC(=O)N,
,,3O4K,,,,,,,
,,,GOL:D:172,invalid,,,,,C(C(CO)O)O,
,,,LTC:C:172,valid,Kd,=,24,nM,CCCCCCCC=CCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC,
,,,TLA:D:173,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5D3U,,,,,,,
,,,CL:B:504,invalid,,,,,[Cl-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,TRP:B:502,valid,Kd,=,2.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:502,valid,Kd,=,2.6,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,5D40,,,,,,,
,,,CL:B:510,invalid,,,,,[Cl-],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,TRP:B:502,valid,Kd,=,4.9,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:502,valid,Kd,=,4.9,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,4TPO,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,TRP:A:505,valid,Kd,=,39,uM,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4ZOA,,,,,,,
,,,PEG:B:801,invalid,,,,,C(COCCO)O,
,,,IFM:B:802,valid,Ki,=,0.0041,mM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,IFM:A:801,valid,Ki,=,0.0041,mM,C1[C@@H]([C@H]([C@@H](CN1)O)O)CO,
,,,MG:B:803,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,4ZO8,,,,,,,
,,,BGC BGC:C:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,4ZO9,,,,,,,
,,,GLC:D:1,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:1,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:B:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,BGC BGC:A:804,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:B:804,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4ZOC,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,BGC:B:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,4ZOB,,,,,,,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,LGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:804,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,LGC:B:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O,
,,,PEG:B:801,invalid,,,,,C(COCCO)O,
,,,SO4:B:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:805,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,4ZOD,,,,,,,
,,,BGC:B:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:806,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:805,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:808,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:A:802,Part of Protein,,,,,[Mg+2],
,,,PEG:B:801,invalid,,,,,C(COCCO)O,
,,,PEG:A:806,invalid,,,,,C(COCCO)O,
,,,SO4:A:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ZO6,,,,,,,
,,,MG:B:802,Part of Protein,,,,,[Mg+2],
,,,MG:A:805,Part of Protein,,,,,[Mg+2],
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:803,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:806,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,,BGC BGC:C:1,valid,Ki,=,21,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,4ZO7,,,,,,,
,,,BGC:A:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:802,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:805,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,GLC BGC:C:1,valid,Ki,=,2.8,mM,,
,,,GLC:A:806,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6PFJ,,,,,,,
,,,C2E:T:201,valid,Kd,=,0.39,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:T:202,valid,Kd,=,0.39,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6JD4,,,,,,,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4FOU,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:705,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,C2E:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6IF3,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3ZHF,,,,,,,
,,,EDO:A:1787,invalid,,,,,C(CO)O,
,,,PEG:A:1786,invalid,,,,,C(COCCO)O,
,,,ACE ASN PRO ASP TRP ASP PHE ASN NH2:B:2,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)[O-])Cc1ccccc1)CC(=O)N,
,,2YMT,,,,,,,
,,,PDO:A:1786,invalid,,,,,C(CO)CO,
,,,GLY GLU GLU TRP GLY PRO TRP VAL NH2:B:0,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C1N(C(=O)CNC(=O)C(NC(=O)C(N)CCC(=O)[O-])Cc2c3c([nH]c2)cccc3)CCC1)Cc1c2c([nH]c1)cccc2)C(C)C,
,Family. Representative Entry is ,3KV5,,,,,,,
,,,FE2:A:491,Part of Protein,,,,,[Fe+2],
,,,FE2:A:492,Part of Protein,,,,,[Fe+2],
,,,FE2:D:491,Part of Protein,,,,,[Fe+2],
,,,OGA:A:5798,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,SO4:A:493,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:489,Part of Protein,,,,,[Zn+2],
,,,ZN:A:490,Part of Protein,,,,,[Zn+2],
,,,ZN:D:489,Part of Protein,,,,,[Zn+2],
,,,ZN:D:490,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6Q9S,,,,,,,
,,,HRN:B:201,valid,ic50,=,17,nM,C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8,
,,,HRN:C:201,valid,ic50,=,17,nM,C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8,
,,,HRN:A:201,valid,ic50,=,17,nM,C[C@@H](c1ccc(cc1Cl)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)Nc5cc(ccc5N6CCC(CC6)N7CCCOC7=O)C(=O)O)Cl)c8ccccc8,
,,,O4B:C:208,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:205,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:204,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:208,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:204,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:206,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:207,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,,NA:A:206,invalid,,,,,[Na+],
,,,NA:C:211,invalid,,,,,[Na+],
,,3U15,,,,,,,
,,,03M:A:1,valid,Kd,=,0.078,uM,Cc1c(ccc2c1[nH]cc2/C=C3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl,
,,,03M:B:1,valid,Kd,=,0.078,uM,Cc1c(ccc2c1[nH]cc2/C=C3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl,
,,,03M:C:1,valid,Kd,=,0.078,uM,Cc1c(ccc2c1[nH]cc2/C=C3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl,
,,,03M:D:1,valid,Kd,=,0.078,uM,Cc1c(ccc2c1[nH]cc2/C=C3/C(=O)N(C(=O)N3)Cc4ccc(c(c4)F)F)Cl,
,,,SO4:A:112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6Q9Q,,,,,,,
,,,SO4:C:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HUE:C:201,valid,ic50,=,145,nM,C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7,
,,,HUE:D:201,valid,ic50,=,145,nM,C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7,
,,,HUE:B:201,valid,ic50,=,145,nM,C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7,
,,,HUE:A:201,valid,ic50,=,145,nM,C[C@@H](c1ccc(cc1)Cl)n2cnc(c2c3c4ccc(cc4[nH]c3C(=O)NCCN5CCN(CC5)C6CCCCC6)Cl)c7ccccc7,
,,,O4B:B:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:D:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:C:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,3FE7,,,,,,,
,,,ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2:L:1,valid,Kd,=,75,nM,S(CCC(NC(=O)C(NC(=O)C)Cc1ccccc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC1(C(=O)NC(C(=O)[NH3+])CC(C)C)CC1)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccc(CP(=O)([O-])[O-])cc1)(C)C)C,
,,3FEA,,,,,,,
,,,ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2:L:1,valid,Kd,=,36,nM,Clc1cc2[nH]cc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc3ccccc3)CCSC)(C)C)Cc3ccc(CP(=O)([O-])[O-])cc3)C(=O)NC(C(=O)NC3(C(=O)NC(C(=O)[NH3+])CC(C)C)CC3)CCC(=O)[O-])c2cc1,
,,,ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2:M:1,valid,Kd,=,36,nM,Clc1cc2[nH]cc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc3ccccc3)CCSC)(C)C)Cc3ccc(CP(=O)([O-])[O-])cc3)C(=O)NC(C(=O)NC3(C(=O)NC(C(=O)[NH3+])CC(C)C)CC3)CCC(=O)[O-])c2cc1,
,,,MPD:A:1,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6Q9Y,,,,,,,
,,,HRQ:B:201,valid,ic50,=,3700,nM,Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC,
,,,HRQ:A:201,valid,ic50,=,3700,nM,Cc1ccc(cc1)N2CC[C@@H](C2)NC(=O)c3c[nH]c4c3cccc4OC,
,,6Q9W,,,,,,,
,,,O4B:B:204,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:204,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:203,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HRT:A:201,valid,ic50,=,580,nM,C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl,
,,,HRT:B:201,valid,ic50,=,580,nM,C[C@@H](c1cccc(c1)Cl)N2[C@H](c3c(nc(n3C(C)C)c4cnc(nc4OC)OC)C2=O)c5ccc(cc5)Cl,
,,6Q9U,,,,,,,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,HRE:A:201,valid,ic50,=,1300,nM,CC(C)c1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc4)C#N)C5=CC(=CNC5=O)Cl,
,,,O4B:A:202,invalid,,,,,C1COCCOCCOCCOCCOCCO1,
,Family. Representative Entry is ,1GNI,,,,,,,
,,,OLA:A:1001,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1002,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1003,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1004,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1005,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1006,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:1007,valid,Kd,=,8.5,nM,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,4E99,,,,,,,
,,,P8S:A:601,valid,,,,,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,
,,,P8S:A:602,valid,,,,,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,
,,1E7G,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1007,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1008,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2XW1,,,,,,,
,,,9NV:A:2001,valid,,,,,CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C,
,,,9NV:B:2001,valid,,,,,CCC[C@@H](C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C,
,,4L8U,,,,,,,
,,,9AZ:A:606,valid,,,,,CC[C@](C1=C(C(=O)N2Cc3cc4c(cccc4nc3C2=C1)N)CO)(C(=O)O)O,
,,,MYR:A:601,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:602,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:605,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:603,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:604,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2XVV,,,,,,,
,,,9DN:A:2001,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O,
,,,9DN:A:2002,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2BXK,,,,,,,
,,,AZQ:A:2002,valid,,,,,CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C,
,,,IMN:A:2001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2BXH,,,,,,,
,,,IOS:A:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,,,IOS:A:1002,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,,,IOS:B:1001,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,,,IOS:B:1002,valid,,,,,c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)O,
,,4BKE,,,,,,,
,,,PLM:A:1001,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1002,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1003,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1004,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1006,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1007,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1005,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1E7A,,,,,,,
,,,PFL:A:4001,valid,,,,,CC(C)c1cccc(c1O)C(C)C,
,,,PFL:A:4002,valid,,,,,CC(C)c1cccc(c1O)C(C)C,
,,,PFL:B:4001,valid,,,,,CC(C)c1cccc(c1O)C(C)C,
,,,PFL:B:4002,valid,,,,,CC(C)c1cccc(c1O)C(C)C,
,,4Z69,,,,,,,
,,,F15:A:1003,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:A:1001,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:I:1005,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:I:1001,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:I:1003,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,F15:A:1005,invalid,,,,,CCCCCCCCCCCCCCC(=O)O,
,,,DIF:A:1008,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:I:1006,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:A:1007,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:A:1006,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,PLM:A:1002,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1004,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:I:1004,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:I:1002,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,1HA2,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,SWF:A:3001,valid,Kd,=,2.9,uM,CC(=O)C[C@@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O,
,,6EZQ,,,,,,,
,,,C7K:A:602,valid,Kd,=,14,uM,c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O,
,,,C7K:A:601,valid,Kd,=,14,uM,c1cc(c2c(c1NCCCCCCCCCCCC(=O)O)non2)N(=O)=O,
,,5ID7,,,,,,,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:606,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,6A4:A:601,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,6A4:B:602,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,6A4:B:603,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,6A4:B:601,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,6A4:A:602,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,6A4:A:603,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,6R7S,,,,,,,
,,,SAS:A:604,valid,,,,,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,,,SAS:A:605,valid,,,,,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,,,SAS:A:606,valid,,,,,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BXA,,,,,,,
,,,C1F:A:2001,valid,,,,,CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C,
,,,C1F:A:2002,valid,,,,,CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C,
,,,C1F:B:2001,valid,,,,,CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C,
,,,C1F:B:2002,valid,,,,,CCCc1c(c(c(o1)CCC(=O)O)C(=O)O)C,
,,4L9K,,,,,,,
,,,EHF:B:601,valid,,,,,CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O,
,,,EHF:A:601,valid,,,,,CC[C@](C1=C(C(=O)N2Cc3cc4ccccc4nc3C2=C1)CO)(C(=O)O)O,
,,2BXP,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1009,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,P1Z:A:3001,valid,,,,,CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3,
,,2XW0,,,,,,,
,,,9NF:A:2001,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,,9NF:A:2002,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,,9NF:B:2001,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,,9NF:B:2002,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O,
,,1BJ5,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,4IW2,,,,,,,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC:A:602,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLO:A:601,invalid,,,,,C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O,
,,1E7C,,,,,,,
,,,HLT:A:4001,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4002,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4004,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4005,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4006,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4007,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4008,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,4LA0,,,,,,,
,,,198:A:601,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,,198:B:601,valid,,,,,C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O,
,,1E7F,,,,,,,
,,,DAO:A:1001,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1002,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1003,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1004,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1005,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1006,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1007,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:1008,valid,,,,,CCCCCCCCCCCC(=O)O,
,,6A7P,,,,,,,
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:A:603,invalid,,,,,[K+],
,,,9SC:A:601,valid,Ka,=,7.51,M^-1,c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,
,,,9SC:B:601,valid,Ka,=,7.51,M^-1,c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4,
,,,PG4:B:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6WUW,,,,,,,
,,,MYR:B:809,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:802,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:601,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:810,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:805,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:605,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:609,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:804,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:610,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,UNL:B:807,invalid,,,,,NULL,
,,,UNL:A:606,invalid,,,,,NULL,
,,,UAY:A:602,valid,,,,,[H]/N=C1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O,
,,,UAY:B:803,valid,,,,,[H]/N=C1/c2c(cc(s2)c3ccccc3)C(=O)NC1=O,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:B:808,invalid,,,,,C(CO)O,
,,,PG4:B:806,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,OCA:A:604,valid,,,,,CCCCCCCC(=O)O,
,,2BXI,,,,,,,
,,,AZQ:A:2001,valid,,,,,CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C,
,,,AZQ:A:2002,valid,,,,,CCCC1C(=O)N2c3cc(ccc3N=C(N2C1=O)N(C)C)C,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1E7B,,,,,,,
,,,HLT:A:4001,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4002,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:A:4003,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:B:4001,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:B:4002,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,,HLT:B:4003,valid,,,,,[C@@H](C(F)(F)F)(Cl)Br,
,,1H9Z,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,RWF:A:3001,valid,Kd,=,3.8,uM,CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O,
,,1HK4,,,,,,,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1007,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,T44:A:1008,valid,Kd,=,4.9,uM,c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N,
,,2BXM,,,,,,,
,,,IMN:A:2001,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,IMN:A:2002,valid,,,,,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,MYR:A:1001,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1002,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1003,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1004,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1005,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1006,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:1007,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,1E7E,,,,,,,
,,,DKA:A:1001,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1002,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1003,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1004,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1005,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1006,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1007,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1008,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1009,valid,,,,,CCCCCCCCCC(=O)O,
,,,DKA:A:1010,valid,,,,,CCCCCCCCCC(=O)O,
,,1E7H,,,,,,,
,,,PLM:A:1001,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1002,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1003,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1004,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1005,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1006,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:1007,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6HQ7,,,,,,,
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,PCG:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4RKS,,,,,,,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MEV:B:401,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,MEV:A:401,valid,,,,,C[C@@](CCO)(CC(=O)[O-])O,
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,4RKZ,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3S4:A:402,valid,,,,,C[C@@](CCO)(CC(=O)O)OP(=O)(O)O,
,,,3S4:B:401,valid,,,,,C[C@@](CCO)(CC(=O)O)OP(=O)(O)O,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2GUC,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,MAN:A:122,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:123,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:124,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:125,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:122,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:123,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:124,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2CBZ,,,,,,,
,,,ATP:A:1873,valid,Kd,=,118,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1872,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6QPL,,,,,,,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,MPD:B:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:B:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JC5:B:305,valid,ic50,=,77,nM,COc1c(cc(cc1OCCCN2Cc3ccccc3C2)CN)CN,
,,,GLY:B:306,invalid,,,,,C(C(=O)O)N,
,,5JSJ,,,,,,,
,,,6PD:B:301,valid,Kd,=,4,uM,c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7,
,,,6PD:A:301,valid,Kd,=,4,uM,c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,4MZF,,,,,,,
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,ALA ARG THR M3L GLN THR ALA DA2 LYS:A:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCN=C(N(C)C)N)C)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,4MZH,,,,,,,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,ALA ARG THR M3L GLN THR ALA 2MR LYS:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,5JSG,,,,,,,
,,,6P9:A:301,valid,Kd,=,14.2,uM,c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6,
,,,6P9:B:301,valid,Kd,=,14.2,uM,c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,MG:A:302,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3GX0,,,,,,,
,,,GDS:A:301,valid,Kd,=,2.4,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4XG0,,,,,,,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,3CA6,,,,,,,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SER A2G:A:911,valid,,,,,O=C([O-])C([NH3+])COC1C(NC(=O)C)C(O)C(O)C(CO)O1,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CA4,,,,,,,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,3CA3,,,,,,,
,,,A2G:A:267,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:268,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NGA:A:269,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:270,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CA1,,,,,,,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,GLA:A:267,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:268,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:907,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CAH,,,,,,,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,ACT:A:911,invalid,,,,,CC(=O)[O-],
,,,ACT:A:912,invalid,,,,,CC(=O)[O-],
,,,FCA:A:267,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:906,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3CA5,,,,,,,
,,,ACT:A:910,invalid,,,,,CC(=O)[O-],
,,,AMG:A:267,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:268,valid,,,,,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,NAG:A:266,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG:B:1,invalid,,,,,,
,,,NAG FUC NAG:C:1,invalid,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6BE0,,,,,,,
,,,IHP:A:301,valid,Kd,=,1.42,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,COA:A:302,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6F1J,,,,,,,
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,EDG:A:401,valid,Kd,=,24,uM,C1[C@@H]([C@H]([C@@H](N1)CO)O)O,
,,,EDG:B:401,valid,Kd,=,24,uM,C1[C@@H]([C@H]([C@@H](N1)CO)O)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,2XQQ,,,,,,,
,,,ACT:B:1090,invalid,,,,,CC(=O)[O-],
,,,SAC ARG GLY THR GLN THR GLU:E:1,valid,Kd,=,15.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C)CO)CCCNC(=[NH2+])N)C(O)C)CCC(=O)N)C(O)C)CCC(=O)[O-],
,,,SAC ARG GLY THR GLN THR GLU:F:1,valid,Kd,=,15.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C)CO)CCCNC(=[NH2+])N)C(O)C)CCC(=O)N)C(O)C)CCC(=O)[O-],
,,,SAC ARG GLY THR GLN THR GLU:G:1,valid,Kd,=,15.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C)CO)CCCNC(=[NH2+])N)C(O)C)CCC(=O)N)C(O)C)CCC(=O)[O-],
,,,SAC ARG GLY THR GLN THR GLU:H:1,valid,Kd,=,15.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C)CO)CCCNC(=[NH2+])N)C(O)C)CCC(=O)N)C(O)C)CCC(=O)[O-],
,,3DVP,,,,,,,
,,,THR PRO THR ARG ASP VAL ALA THR SER PRO:C:213,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CCCNC(=[NH2+])N)CC(=O)[O-])C(C)C)C)C(O)C,
,,,THR PRO THR ARG ASP VAL ALA THR SER PRO:D:213,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)CCCNC(=[NH2+])N)CC(=O)[O-])C(C)C)C)C(O)C,
,Family. Representative Entry is ,3BU1,,,,,,,
,,,HSM:A:301,valid,Kd,=,7.1,nM,c1c(nc[nH]1)CCN,
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ANV,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PGE:B:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:510,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:B:509,invalid,,,,,C(COCCO)O,
,,,PEG:B:511,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,6FGL,,,,,,,
,,,MG:A:1902,invalid,,,,,[Mg+2],
,,,UO1:A:1901,valid,ic50,=,24,uM,Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O,
,,5MGK,,,,,,,
,,,7MW:A:1901,valid,Kd,=,100,uM,CCC(=O)c1cc([nH]c1)C(=O)OC,
,,6FGH,,,,,,,
,,,6RZ:A:1901,valid,,,,,Cc1c(cccn1)N[C@H](C)CS(=O)(=O)C,
,,6FG6,,,,,,,
,,,D8Q:A:1901,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCCN,
,,6FGG,,,,,,,
,,,D9B:A:1901,valid,Kd,=,17,uM,CN1C=C(C=CC1=O)C(=O)Nc2ccc3c(c2)N(C(=O)O3)CCN(C)C,
,,5MGJ,,,,,,,
,,,7MX:A:1901,valid,Kd,=,51,uM,CCOC(=O)C1=CN(C(=O)C=C1Cl)C,
,,6FGV,,,,,,,
,,,D9T:A:1901,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N,
,,5OR8,,,,,,,
,,,JR4:A:1901,valid,,,,,Cc1cc2c(cc1S(=O)(=O)NCc3ccc(cc3)F)N(C(=O)N2C)C,
,Family. Representative Entry is ,3QG6,,,,,,,
,,,NA:A:215,invalid,,,,,[Na+],
,,,NA:L:214,invalid,,,,,[Na+],
,,,TYR SER THR CYS TYR PHE ILE MET:C:3,valid,ic50,=,0.73,nM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)C(O)C)CS)Cc1ccc(O)cc1)Cc1ccccc1)C(CC)C)C=O)C,
,,,TYR SER THR CYS TYR PHE ILE MET:D:2,valid,ic50,=,0.73,nM,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CO)C(O)C)CS)Cc1ccc(O)cc1)Cc1ccccc1)C(CC)C)C=O)C,
,,,ZN:A:214,Part of Protein,,,,,[Zn+2],
,,,ZN:A:216,Part of Protein,,,,,[Zn+2],
,,,ZN:A:217,Part of Protein,,,,,[Zn+2],
,,,ZN:B:229,Part of Protein,,,,,[Zn+2],
,,,ZN:H:229,Part of Protein,,,,,[Zn+2],
,,,ZN:L:215,Part of Protein,,,,,[Zn+2],
,,,ZN:L:216,Part of Protein,,,,,[Zn+2],
,,,ZN:L:217,Part of Protein,,,,,[Zn+2],
,,,ZN:L:218,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4M8D,,,,,,,
,,,MN:G:301,Part of Protein,,,,,[Mn+2],
,,,MN:H:301,Part of Protein,,,,,[Mn+2],
,,,MN:L:301,Part of Protein,,,,,[Mn+2],
,,,MN:F:301,Part of Protein,,,,,[Mn+2],
,,,MN:D:301,Part of Protein,,,,,[Mn+2],
,,,MN:J:301,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,MN:I:301,Part of Protein,,,,,[Mn+2],
,,,MN:C:301,Part of Protein,,,,,[Mn+2],
,,,MN:E:301,Part of Protein,,,,,[Mn+2],
,,,MN:A:301,Part of Protein,,,,,[Mn+2],
,,,MN:K:301,Part of Protein,,,,,[Mn+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:F:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,invalid,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:L:305,Part of Protein,,,,,[Ca+2],
,,,CA:J:304,Part of Protein,,,,,[Ca+2],
,,,CA:L:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:L:304,invalid,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,invalid,,,,,[Ca+2],
,,,CA:I:303,Part of Protein,,,,,[Ca+2],
,,,CA:J:303,Part of Protein,,,,,[Ca+2],
,,,23J:B:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:I:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:H:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:J:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:L:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:C:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:A:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:F:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:K:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:G:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:D:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,,,23J:E:302,valid,ic50,~,10,uM,c1ccc(c(c1)C(=O)C(=O)O)S,
,Family. Representative Entry is ,5LFV,,,,,,,
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:414,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:B:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:401,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:401,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5C79,,,,,,,
,,,CL:B:501,invalid,,,,,[Cl-],
,,,PBU:B:502,valid,Kd,=,7,uM,CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC,
,,,PBU:B:503,valid,Kd,=,7,uM,CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC,
,,,PBU:A:800,valid,Kd,=,7,uM,CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,3D72,,,,,,,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2PD8,,,,,,,
,,,FAD:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:7202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3HJK,,,,,,,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2PDR,,,,,,,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:203,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:204,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,3HJI,,,,,,,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2PD7,,,,,,,
,,,FAD:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:7202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2P1M,,,,,,,
,,,IHP:B:601,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,2P1P,,,,,,,
,,,IAC:B:601,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IHP:B:595,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5BJX,,,,,,,
,,,NAD:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,UDP:B:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NA:B:708,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:A:708,invalid,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:B:706,invalid,,,,,[Na+],
,,,NA:A:705,invalid,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,5BJY,,,,,,,
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:B:707,Part of Protein,,,,,[Na+],
,,,NA:A:708,invalid,,,,,[Na+],
,,,NA:A:707,Part of Protein,,,,,[Na+],
,,,NA:B:706,invalid,,,,,[Na+],
,,,NA:A:706,Part of Protein,,,,,[Na+],
,,,NAD:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,5BJV,,,,,,,
,,,NA:B:705,invalid,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,NA:A:705,Part of Protein,,,,,[Na+],
,,,NA:A:706,invalid,,,,,[Na+],
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,UD1:A:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD1:B:702,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,5BJU,,,,,,,
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,UDP:B:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,NAD:B:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,5BJW,,,,,,,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,EDO:B:705,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,NAD:B:701,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:702,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NA:B:707,invalid,,,,,[Na+],
,,,NA:A:704,Part of Protein,,,,,[Na+],
,,,NA:B:706,Part of Protein,,,,,[Na+],
,,,NA:A:705,invalid,,,,,[Na+],
,,,UDP:A:701,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:702,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4J8T,,,,,,,
,,,DOG:B:201,valid,Kd,=,168,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:D:201,valid,Kd,=,168,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:C:201,valid,Kd,=,168,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:A:201,valid,Kd,=,168,nM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,Family. Representative Entry is ,2AST,,,,,,,
,,,ALA GLY SER VAL GLU GLN TPO PRO LYS LYS:D:4181,valid,Kd,=,7,uM,P(=O)(OC(C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])C)CO)C(C)C)CCC(=O)[O-])CCC(=O)N)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)[O-])CCCC[NH3+])CCCC[NH3+])CCC1)C)([O-])[O-],
,,,BEN:B:1002,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:1001,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,6FSG,,,,,,,
,,,GLC:A:1003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6FT1,,,,,,,
,,,GLC:A:1003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6FSI,,,,,,,
,,,GLC:A:1003,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4DKX,,,,,,,
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3QUG,,,,,,,
,,,GIX:A:700,valid,Kd,=,2.6,uM,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,GIX:B:700,valid,Kd,=,2.6,uM,Cc1c2cc3[n+]4c(cc5c(c(c6n5[Ga+3]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)C=C,
,,,GOL:A:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:12,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6HGI,,,,,,,
,,,C0R:A:401,valid,Kd,=,0.6,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O,
,,6FTP,,,,,,,
,,,DM2:B:501,valid,,,,,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,6HGL,,,,,,,
,,,TES:A:401,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C,
,,6HGG,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,HCY:A:401,valid,Kd,=,3.8,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,5OM7,,,,,,,
,,,DM2:A:501,valid,,,,,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,6HGF,,,,,,,
,,,HCY:B:501,valid,Kd,=,9.6,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,5OM2,,,,,,,
,,,DXT:B:501,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,6HGK,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,STR:A:401,valid,,,,,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,,5OM6,,,,,,,
,,,CIT:C:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,CL:C:403,invalid,,,,,[Cl-],
,,5OM3,,,,,,,
,,,DXT:B:501,valid,,,,,C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,6HGJ,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,AS4:A:401,valid,Kd,=,41.6,uM,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O,
,Family. Representative Entry is ,4KVA,,,,,,,
,,,GTP:A:500,valid,Kd,=,0.000115,M,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:500,valid,Kd,=,0.000115,M,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,4KV9,,,,,,,
,,,GDP:A:500,valid,Kd,=,0.000146,M,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,Kd,=,0.000146,M,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5H68,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,AGS:B:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,Family. Representative Entry is ,3U7Y,,,,,,,
,,,CL:G:504,invalid,,,,,[Cl-],
,,,FLC:H:222,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:G:501,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:502,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:503,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:505,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:506,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:211,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:A:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,4GQY,,,,,,,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2WC1,,,,,,,
,,,FMN:A:183,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5WSY,,,,,,,
,,,7UC:B:201,valid,,,,,C[C@H](CC(=O)O)NCC(=O)O,
,,,7UC:A:201,valid,,,,,C[C@H](CC(=O)O)NCC(=O)O,
,Family. Representative Entry is ,4CYD,,,,,,,
,,,GOL:A:1229,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1230,invalid,,,,,C(C(CO)O)O,
,,,CMP:B:1228,valid,Kd,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:1228,valid,Kd,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:1228,valid,Kd,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:1226,valid,Kd,=,17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,2ORZ,,,,,,,
,,,THR LYS PRO ARG:B:2,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(N)CCCC[NH3+])CCC1)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,6DXL,,,,,,,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,HG4:A:401,valid,Kd,=,1.6,nM,CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(=O)N,
,,4LOI,,,,,,,
,,,1YC:B:401,valid,Kd,=,0.17,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6XNP,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,V67:A:401,valid,ic50,=,7.8,uM,c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3,
,,,V67:B:401,valid,ic50,=,7.8,uM,c1cc(nnc1C(=O)Nc2cc(c(cc2C(=O)O)F)F)n3ccnc3,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,6S26,,,,,,,
,,,KT2:B:401,valid,,,,,c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O,
,,6DXG,,,,,,,
,,,HGJ:A:402,valid,ic50,=,14,uM,CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H](c4ccccc4)O)C(=O)N,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,6DNK,,,,,,,
,,,1SY:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,,4EMT,,,,,,,
,,,C2E:A:401,valid,Kd,=,4.63,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,4QXO,,,,,,,
,,,1YE:A:401,valid,Kd,=,3.12,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,4QXQ,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YE:A:401,valid,Kd,=,1.99,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,,1YE:B:401,valid,Kd,=,1.99,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,4QXR,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,1YE:A:401,valid,Kd,=,0.99,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,,1YE:B:401,valid,Kd,=,0.99,uM,Cc1ccc2c(c1C)Oc3c(cccc3C2=O)CC(=O)O,
,,4LOH,,,,,,,
,,,1SY:A:401,valid,Kd,=,5.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O)(O4)O)O[C@H]5n6cnc7c6NC(=NC7=O)N)O)O)O)N,
,Family. Representative Entry is ,5HI5,,,,,,,
,,,63Q:B:4000,valid,ic50,=,0.009,uM,CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)-c4cccc(c4)CCC(=O)N1)NC(=O)c5ccnn5C,
,,5HI3,,,,,,,
,,,63O:B:400,valid,ic50,=,1.14,uM,Cn1c(ccn1)C(=O)N[C@@H](Cc2ccccc2F)C(=O)Nc3ccc(cc3)CCNC(=O)CC4(CCCC4)CC(=O)N(C)C,
,,5HI4,,,,,,,
,,,63P:A:4000,valid,ic50,=,0.034,uM,CNC(=O)[C@H]1Cc2ccc(cc2)NC(=O)[C@H](Cc3cc(ccc3Cl)Oc4ccc(cc4)C5(CCCC5)CC(=O)N1)NC(=O)c6ccnn6C,
,Family. Representative Entry is ,4I54,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,1C1:A:501,valid,Kd,=,110,nM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N,
,,,1C1:B:501,valid,Kd,=,110,nM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:510,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4DKQ,,,,,,,
,,,0LK:A:613,valid,Kd,=,0.25,uM,[H]/N=C(N)/N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl,
,,,EPE:A:612,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:610,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4DVX,,,,,,,
,,,EPE:B:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0M5:A:512,valid,,,,,c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl,
,,,0M5:B:512,valid,,,,,c1cc(c(cc1NC(=O)C(=O)NC[C@H]2CCN(C2)C3CC3)F)Cl,
,,6ONE,,,,,,,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:A:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MVY:A:512,valid,,,,,COC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl,
,,6OOO,,,,,,,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MXJ:A:511,valid,,,,,CCCNC(=O)N1C[C@H](C[C@H](C1)N)C(=O)Nc2ccc(c(c2)F)Cl,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4DVW,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:A:511,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:511,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,0M4:A:512,valid,,,,,c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl,
,,,0M4:B:512,valid,,,,,c1cc(c(cc1NC(=O)C(=O)NC[C@@]23CCC[C@@H]2CNC3)F)Cl,
,,6ONH,,,,,,,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MWD:A:511,valid,,,,,CCCNC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4DKP,,,,,,,
,,,0LL:A:513,valid,Kd,=,1.9,uM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N,
,,,0LL:C:513,valid,Kd,=,1.9,uM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)N,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6USW,,,,,,,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,O51:A:511,valid,,,,,c1cc(c(cc1NC(=O)[C@H]2CCCN(C2)C(=O)NCCN)F)Cl,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4RZ8,,,,,,,
,,,3ZM:D:512,valid,ic50,~,270,nM,Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO,
,,,3ZM:C:512,valid,ic50,~,270,nM,Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO,
,,,3ZM:B:510,valid,ic50,~,270,nM,Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO,
,,,3ZM:A:510,valid,ic50,~,270,nM,Cc1c(sc(n1)[C@H]([C@H]2CCCCN2)NC(=O)c3ccc([nH]3)c4ccc(cc4)Cl)CO,
,,,NAG:C:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:C:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:511,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:511,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,5U6E,,,,,,,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EPE:B:509,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,82M:B:508,valid,,,,,Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO,
,,,82M:A:512,valid,,,,,Cc1c(sc(n1)[C@H](CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO,
,,6ONF,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MW4:A:511,valid,,,,,CCOC(=O)N1CCC[C@@H](C1)C(=O)Nc2ccc(c(c2)F)Cl,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4DVT,,,,,,,
,,,EPE:B:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0LZ:A:512,valid,,,,,c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl,
,,,0LZ:B:512,valid,,,,,c1ccc2c(c1)CCN[C@@H]2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl,
,,4DKR,,,,,,,
,,,0LJ:A:513,valid,Kd,=,0.3,uM,[H]/N=C(/N)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl,
,,,0LJ:C:513,valid,Kd,=,0.3,uM,[H]/N=C(/N)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc3ccc(c(c3)F)Cl,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4DVV,,,,,,,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0M1:B:513,valid,,,,,CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C,
,,,0M1:A:513,valid,,,,,CC1(O[C@H]([C@@H](O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C,
,,4DKO,,,,,,,
,,,0LM:A:513,valid,Kd,=,0.3,uM,CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C,
,,,0LM:C:513,valid,Kd,=,0.3,uM,CC1(CC(CC(N1C)(C)C)NC(=O)C(=O)Nc2ccc(c(c2)F)Cl)C,
,,,EPE:A:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4DVS,,,,,,,
,,,EPE:B:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0LY:B:512,valid,,,,,CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C,
,,,0LY:A:512,valid,,,,,CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C,
,Family. Representative Entry is ,3R9V,,,,,,,
,,,DXC:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:B:323,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,GOL:A:323,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:324,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3SM2,,,,,,,
,,,478:A:126,valid,Ki,=,0.2,nM,CC(C)C[N@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)c3ccc(cc3)N,
,,4EXH,,,,,,,
,,,ACE VAL VAL STA ALA STA:J:1,valid,Ki,=,712,nM,O=C(NC(C(=O)NC(C(O)CC(O)NC(C(=O)NC(C(O)CCO)CC(C)C)C)CC(C)C)C(C)C)C(NC(=O)C)C(C)C,
,,,ACE VAL VAL STA ALA STA:M:1,valid,Ki,=,712,nM,O=C(NC(C(=O)NC(C(O)CC(O)NC(C(=O)NC(C(O)CCO)CC(C)C)C)CC(C)C)C(C)C)C(NC(=O)C)C(C)C,
,,,ACE VAL VAL STA ALA STA:P:1,valid,Ki,=,712,nM,O=C(NC(C(=O)NC(C(O)CC(O)NC(C(=O)NC(C(O)CCO)CC(C)C)C)CC(C)C)C(C)C)C(NC(=O)C)C(C)C,
,,,FMT:M:101,invalid,,,,,C(=O)O,
,,3SLZ,,,,,,,
,,,3TL:A:126,valid,Ki,=,102,nM,C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H]([C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)O)O)NC(=O)OCc4ccccc4,
,,,FMT:A:127,invalid,,,,,C(=O)O,
,,,FMT:A:128,invalid,,,,,C(=O)O,
,,,FMT:B:126,invalid,,,,,C(=O)O,
,,,FMT:B:127,invalid,,,,,C(=O)O,
,,,FMT:B:128,invalid,,,,,C(=O)O,
,,,FMT:B:129,invalid,,,,,C(=O)O,
,,,NA:B:130,Part of Protein,,,,,[Na+],
,,3SM1,,,,,,,
,,,FMT:B:202,invalid,,,,,C(=O)O,
,,,FMT:B:201,invalid,,,,,C(=O)O,
,,,IVA VAL VAL STA ALA STA:J:1,valid,Ki,=,1442,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:M:1,valid,Ki,=,1442,nM,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,Family. Representative Entry is ,2BYC,,,,,,,
,,,FMN:A:1137,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1632,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6UB0,,,,,,,
,,,GLC BGC:B:1,valid,,,,,,
,Family. Representative Entry is ,4OXX,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3GQK,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:855,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,2CC6,,,,,,,
,,,CL:A:105,invalid,,,,,[Cl-],
,,,LUM:A:1068,valid,Kd,=,9.88,nM,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1066,Part of Protein,,,,,[Mg+2],
,,,NA:A:104,invalid,,,,,[Na+],
,,,SO4:A:1067,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CC7,,,,,,,
,,,CL:A:106,invalid,,,,,[Cl-],
,,,LUM:A:1068,valid,Kd,=,9.88,nM,Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:103,Part of Protein,,,,,[Mg+2],
,,,MG:A:1066,Part of Protein,,,,,[Mg+2],
,,,NA:A:105,invalid,,,,,[Na+],
,,,SO4:A:1067,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CCB,,,,,,,
,,,CL:A:105,invalid,,,,,[Cl-],
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1066,Part of Protein,,,,,[Mg+2],
,,,NA:A:104,invalid,,,,,[Na+],
,,,RBF:A:1067,valid,Kd,=,35.76,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,SO4:A:1068,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CCC,,,,,,,
,,,CL:A:104,invalid,,,,,[Cl-],
,,,LFN:A:1067,valid,Kd,=,17.57,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C,
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1066,Part of Protein,,,,,[Mg+2],
,,,NA:A:103,invalid,,,,,[Na+],
,,,SO4:A:1068,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VX9,,,,,,,
,,,CL:A:1068,invalid,,,,,[Cl-],
,,,CL:A:1069,invalid,,,,,[Cl-],
,,,CL:A:1070,invalid,,,,,[Cl-],
,,,NA:A:1065,Part of Protein,,,,,[Na+],
,,,NA:A:1066,Part of Protein,,,,,[Na+],
,,,NA:A:1067,Part of Protein,,,,,[Na+],
,,,NA:A:1071,Part of Protein,,,,,[Na+],
,,,RBF:A:1064,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,2CIE,,,,,,,
,,,CL:A:105,invalid,,,,,[Cl-],
,,,FAD:A:1066,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,NA:A:103,invalid,,,,,[Na+],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1MOG,,,,,,,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:205,invalid,,,,,[Cl-],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,NA:A:203,invalid,,,,,[Na+],
,,,RBF:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,2VKG,,,,,,,
,,,CF4:A:1064,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCNC(=O)O,
,,,CL:A:1066,invalid,,,,,[Cl-],
,,,MG:A:1061,Part of Protein,,,,,[Mg+2],
,,,MG:A:1062,Part of Protein,,,,,[Mg+2],
,,,NA:A:1063,invalid,,,,,[Na+],
,,,SO4:A:1068,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CJC,,,,,,,
,,,CL:A:105,invalid,,,,,[Cl-],
,,,FAD:A:1066,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,NA:A:103,invalid,,,,,[Na+],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2CC8,,,,,,,
,,,CL:A:104,invalid,,,,,[Cl-],
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,MG:A:1066,Part of Protein,,,,,[Mg+2],
,,,NA:A:103,invalid,,,,,[Na+],
,,,RBF:A:1067,valid,Kd,=,35.76,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,SO4:A:1068,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VKF,,,,,,,
,,,CF2:A:1066,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCNC(=O)OC[C@@H]4[C@H](C[C@@H](O4)n5cnc6c5N=C(NC6=O)N)O,
,,,CL:A:1064,invalid,,,,,[Cl-],
,,,MG:A:1061,Part of Protein,,,,,[Mg+2],
,,,MG:A:1062,Part of Protein,,,,,[Mg+2],
,,,NA:A:1063,invalid,,,,,[Na+],
,,,SO4:A:1065,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YNL,,,,,,,
,,,GLU ARG GLY SER GLY ARG:D:1,valid,Kd,=,24,uM,O=C(NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C=O)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)C([NH3+])CCC(=O)[O-],
,,,GLU ARG GLY SER GLY ARG:C:1,valid,Kd,=,24,uM,O=C(NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C=O)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)C([NH3+])CCC(=O)[O-],
,,,GLU ARG GLY SER GLY ARG:R:1,valid,Kd,=,24,uM,O=C(NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C=O)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)C([NH3+])CCC(=O)[O-],
,,,GLU ARG GLY SER GLY ARG:P:1,valid,Kd,=,24,uM,O=C(NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C=O)CCCNC(=[NH2+])N)CO)CCCNC(=[NH2+])N)C([NH3+])CCC(=O)[O-],
,Family. Representative Entry is ,2FGQ,,,,,,,
,,,BOG:X:1170,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CA:X:501,Part of Protein,,,,,[Ca+2],
,,,CA:X:502,Part of Protein,,,,,[Ca+2],
,,,CA:X:503,Part of Protein,,,,,[Ca+2],
,,,MLT:X:700,valid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,SO4:X:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FGR,,,,,,,
,,,ASP ASN TRP GLN ASN GLY THR SER:B:401,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(=O)N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)CC(=O)N)C(O)C)CO,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1E54,,,,,,,
,,,ASP ASN TRP GLN ASN GLY THR SER:B:401,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(=O)N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)CC(=O)N)C(O)C)CO,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,SO4:A:600,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6IUB,,,,,,,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,ATP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5FSY,,,,,,,
,,,AR6:A:1262,valid,Ka,=,790000,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,5FSX,,,,,,,
,,,GOL:B:1263,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:1262,valid,Ka,=,540,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1262,valid,Ka,=,540,M^-1,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5J6Y,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,invalid,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,GLC:A:309,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BGC:A:310,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3T34,,,,,,,
,,,ALF:A:1001,invalid,,,,,F[Al-](F)(F)F,
,,,ALF:B:1001,invalid,,,,,F[Al-](F)(F)F,
,,,GDP:A:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1000,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,NA:A:1003,Part of Protein,,,,,[Na+],
,,,NA:B:1003,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4S2T,,,,,,,
,,,ZN:P:702,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:702,Part of Protein,,,,,[Zn+2],
,,,ZN:P:701,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:701,Part of Protein,,,,,[Zn+2],
,,,01B PRO PRO ALA NH2:B:1,valid,,,,,O=C(C(O)C([NH3+])Cc1ccccc1)N1C(C(=O)N2C(C(=O)NC(C=O)C)CCC2)CCC1,
,,,01B PRO PRO ALA NH2:A:1,valid,,,,,O=C(C(O)C([NH3+])Cc1ccccc1)N1C(C(=O)N2C(C(=O)NC(C=O)C)CCC2)CCC1,
,,,SO4:P:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KAX,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,RHQ:B:201,valid,Kd,=,0.78,uM,CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]CC)/C=C3O2)C)c4ccccc4C(=O)OCC,
,,,RHQ:A:201,valid,Kd,=,0.78,uM,CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]CC)/C=C3O2)C)c4ccccc4C(=O)OCC,
,Family. Representative Entry is ,3OA2,,,,,,,
,,,NAD:A:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:317,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,3O9Z,,,,,,,
,,,AKG:A:312,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:312,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:312,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:312,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:B:315,invalid,,,,,[Cl-],
,,,CL:C:314,invalid,,,,,[Cl-],
,,,CL:D:313,invalid,,,,,[Cl-],
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:314,invalid,,,,,C(CO)O,
,,,EDO:C:313,invalid,,,,,C(CO)O,
,,,NAD:A:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,3OA0,,,,,,,
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:B:313,invalid,,,,,[Cl-],
,,,CL:C:313,invalid,,,,,[Cl-],
,,,CL:D:313,invalid,,,,,[Cl-],
,,,HP7:A:312,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:B:312,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:C:312,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,HP7:D:312,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)O)O,
,,,NAD:A:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:311,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4DFU,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,KAN:A:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:402,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,QUE:A:402,valid,Ki,=,25.1,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:401,valid,Ki,=,25.1,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,,,QUE:B:403,valid,Ki,=,25.1,uM,c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O,
,Family. Representative Entry is ,2YLD,,,,,,,
,,,ASC:A:130,invalid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,CMO:A:129,valid,Kd,=,3.4,pM,[C-]#[O+],
,,,HEC:A:128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,SO4:A:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YLG,,,,,,,
,,,ASC:A:130,invalid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,CMO:A:129,valid,Kd,=,28,mM,[C-]#[O+],
,,,HEC:A:128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,SO4:A:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZWI,,,,,,,
,,,ASC:A:156,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,CMO:A:130,invalid,,,,,[C-]#[O+],
,,,HEC:A:128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,SO4:A:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4CIP,,,,,,,
,,,HEC:A:128,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,ASC:A:130,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,SO4:A:1127,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6B2M,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,PO4:F:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5UDS,,,,,,,
,,,PO4:D:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:C:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:E:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:F:502,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5H9I,,,,,,,
,,,IPA:A:306,invalid,,,,,CC(C)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,LEA:A:307,invalid,,,,,CCCCC(=O)O,
,,,XAN:A:301,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=O)N2,
,,,BME:A:305,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,6VZD,,,,,,,
,,,RXY:E:201,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:B:403,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:B:401,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:A:102,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:B:402,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:A:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,6VYN,,,,,,,
,,,RXY:B:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:G:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:C:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:F:102,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:D:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:F:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:E:102,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:H:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:E:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:G:102,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:A:101,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,,RXY:B:102,valid,,,,,CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=CCCCCCC)COP(=O)(O)OCCN,
,,6W1B,,,,,,,
,,,PEE:A:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:A:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:B:103,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:E:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:E:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:H:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:B:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:F:101,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:B:102,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,2XGW,,,,,,,
,,,CL:A:1179,invalid,,,,,[Cl-],
,,,GOL:A:1181,invalid,,,,,C(C(CO)O)O,
,,,SIN:A:1180,valid,,,,,C(CC(=O)O)C(=O)O,
,,,ZN:A:1176,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1177,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1178,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2HKA,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:505,invalid,,,,,CC(=O)[O-],
,,,ACT:B:506,invalid,,,,,CC(=O)[O-],
,,,ACT:C:501,invalid,,,,,CC(=O)[O-],
,,,C3S:B:400,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:C:401,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,GOL:B:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6U3F,,,,,,,
,,,PQJ:A:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2E1A,,,,,,,
,,,MSE:B:401,valid,,,,,C[Se]CC[C@@H](C(=O)O)N,
,,,MSE:D:301,valid,,,,,C[Se]CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4X06,,,,,,,
,,,ACT:B:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,4OPS,,,,,,,
,,,NAG GAL FUC FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,4OPO,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,NAG GAL FUC FUC:D:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,,NAG GAL FUC FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1O)C,
,,4WZL,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,ACT:B:607,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:B:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,NDG GAL FUC:D:1,valid,,,,,,
,,,NDG GAL FUC:C:1,valid,,,,,,
,,4WZE,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,NDG FUC GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,4OP7,,,,,,,
,,,IMD:B:605,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:604,invalid,,,,,c1c[nH+]c[nH]1,
,,,GLA FUC GLA:D:1,valid,,,,,,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,4X05,,,,,,,
,,,GLA FUC GLA:E:1,valid,,,,,,
,,,GLA FUC GLA:H:1,valid,,,,,,
,,,GLA FUC GLA:G:1,valid,,,,,,
,,,GLA FUC GLA:F:1,valid,,,,,,
,,4WZT,,,,,,,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,GLA FUC A2G:C:1,valid,,,,,,
,,,GLA FUC A2G:D:1,valid,,,,,,
,,4X0C,,,,,,,
,,,FMT:A:603,invalid,,,,,C(=O)O,
,,,FMT:B:606,invalid,,,,,C(=O)O,
,,,FMT:B:604,invalid,,,,,C(=O)O,
,,,FMT:B:607,invalid,,,,,C(=O)O,
,,,FMT:B:605,invalid,,,,,C(=O)O,
,,,FMT:B:603,invalid,,,,,C(=O)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,NDG FUC GAL:C:1,valid,,,,,,
,,,NDG FUC GAL:D:1,valid,,,,,,
,,4WZK,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,NDG GAL FUC:D:1,valid,,,,,,
,,,NDG GAL FUC:C:1,valid,,,,,,
,,6H9V,,,,,,,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MFU:B:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,4X07,,,,,,,
,,,ACT:A:601,invalid,,,,,CC(=O)[O-],
,,,ACT:B:601,invalid,,,,,CC(=O)[O-],
,,,GLA FUC A2G:D:1,valid,,,,,,
,,,GLA FUC A2G:C:1,valid,,,,,,
,Family. Representative Entry is ,5DCH,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,1YO:A:201,valid,,,,,Cc1ccccc1CSc2nncn2N,
,,,MES:A:206,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6NZ4,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6NZ6,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6NZ5,,,,,,,
,,,GCP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5JNN,,,,,,,
,,,6LM:A:800,valid,ic50,=,4504,nM,C[C@@H](CC(=O)O)/C=C/[C@@]1([C@@]2(CC(=O)C[C@]1(OC2)C)C)O,
,,3KDI,,,,,,,
,,,A8S:A:191,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,3NR4,,,,,,,
,,,PYV:A:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3NS2,,,,,,,
,,,PYV:A:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:191,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3NMP,,,,,,,
,,,PYV:A:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3NMH,,,,,,,
,,,EPE:A:200,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:190,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PYV:A:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:900,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3NJ0,,,,,,,
,,,GOL:C:192,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:191,invalid,,,,,C(COCCO)O,
,,,PEG:C:191,invalid,,,,,C(COCCO)O,
,,,PYV:A:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:B:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,,PYV:C:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,,3KB0,,,,,,,
,,,A8S:A:189,valid,,,,,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,3NJ1,,,,,,,
,,,GOL:A:191,invalid,,,,,C(C(CO)O)O,
,,,P2M:A:301,valid,,,,,c1ccc2c(c1)cccc2S(=O)(=O)NCc3ccccn3,
,,,PYV:A:300,valid,,,,,c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCc3ccccn3,
,Family. Representative Entry is ,6RT7,,,,,,,
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G   6MZ C   U  :A:1,valid,Kd,=,3.7,uM,P(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(N3C(=O)NC(=O)C=C3)O2)[O-])C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3ncnc(NC)c3nc2)OC1COP(=O)([O-])[O-])[O-],
,,,G   6MZ C   U  :E:1,valid,Kd,=,3.7,uM,P(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(N3C(=O)NC(=O)C=C3)O2)[O-])C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3ncnc(NC)c3nc2)OC1COP(=O)([O-])[O-])[O-],
,,6T07,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M45:B:601,valid,ic50,>,1000,uM,c1nc([nH]n1)N[C@H]2CCCN2,
,,6SZ1,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M0W:A:601,valid,ic50,>,1000,uM,CNc1c2ccccc2ncn1,
,,,M0W:B:601,valid,ic50,>,1000,uM,CNc1c2ccccc2ncn1,
,,6T0O,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M6N:A:601,valid,,,,,CC1=Nc2cnccc2C(=O)N1,
,,,M6N:B:601,valid,,,,,CC1=Nc2cnccc2C(=O)N1,
,,6SZY,,,,,,,
,,,M5N:B:601,valid,ic50,>,1000,uM,CC(C)C1=NC(=O)N=C2C1CCCC2,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SYZ,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M1E:B:601,valid,ic50,>,1000,uM,CNc1c2c(ccs2)ncn1,
,,,M1E:A:601,valid,ic50,>,1000,uM,CNc1c2c(ccs2)ncn1,
,,6RT5,,,,,,,
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G   6MZ C  :E:1,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(NC)c3nc2)O1)([O-])[O-],
,,,G   6MZ C  :A:1,valid,,,,,P(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(NC)c3nc2)O1)([O-])[O-],
,,6T01,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4B:B:601,valid,ic50,=,2057,uM,CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-],
,,,M4B:A:601,valid,ic50,=,2057,uM,CC1=C(C(=NC(=O)N1)c2ccccc2)[N+](=O)[O-],
,,6SZ2,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M0Q:B:601,valid,,,,,CNc1ccnc2c1cncc2,
,,6SZN,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YZM:B:604,valid,ic50,>,1000,uM,c1ccc(cc1)C(=O)NC(=O)N,
,,6T04,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M3H:B:601,valid,ic50,>,1000,uM,c1ccc(cc1)C2=NCCN2,
,,6SZT,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4Q:B:601,valid,ic50,=,1926,uM,CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2,
,,,M4Q:A:601,valid,ic50,=,1926,uM,CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2,
,,6T05,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M6H:B:605,valid,ic50,>,1000,uM,c1ccc(cc1)CC2NCCN2,
,,,M6H:B:606,valid,ic50,>,1000,uM,c1ccc(cc1)CC2NCCN2,
,,6T0C,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4E:B:601,valid,Kd,=,22,uM,CNC(=O)c1c2ccccc2[nH]n1,
,,,M4E:A:601,valid,Kd,=,22,uM,CNC(=O)c1c2ccccc2[nH]n1,
,,6SZ7,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M1Q:A:601,valid,ic50,=,1615,uM,C1CCC2=NC(=O)NC(=O)C2C1,
,,,M1Q:B:601,valid,ic50,=,1615,uM,C1CCC2=NC(=O)NC(=O)C2C1,
,,6T08,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M5B:B:601,valid,ic50,>,1000,uM,c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2,
,,,M5B:A:601,valid,ic50,>,1000,uM,c1cc(sc1)S(=O)(=O)Nc2[nH]ccn2,
,,6SZL,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M3E:B:604,valid,ic50,>,1000,uM,c1ccc(cc1)C2=CC(=O)NC(=O)N2,
,,6T11,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,O2A:B:601,valid,ic50,=,402,uM,CNC(=O)c1cccc2c1[nH]cc2,
,,6T0Z,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M75:A:601,valid,ic50,>,1000,uM,c1c(nc[nH]1)S(=O)(=O)NC2CC2,
,,,M75:B:601,valid,ic50,>,1000,uM,c1c(nc[nH]1)S(=O)(=O)NC2CC2,
,,6SZX,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4K:A:601,valid,Kd,=,58,uM,c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3,
,,,M4K:B:601,valid,Kd,=,58,uM,c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3,
,,6T02,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M5E:B:601,valid,ic50,>,1000,uM,c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O,
,,,M5E:A:601,valid,ic50,>,1000,uM,c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O,
,,,M5E:A:602,valid,ic50,>,1000,uM,c1ccc(cc1)[C@@H]([C@@H]2CCCN2)O,
,,6RT4,,,,,,,
,,,6MZ C   U   C  :C:1,valid,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6MZ C   U  :D:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)NC(=O)C=C2)O1)(OC1C(O)C(N2C(=O)N=C(N)C=C2)OC1COP(=O)(OC1C(O)C(n2c3ncnc(NC)c3nc2)OC1CO)[O-])[O-],
,,6T03,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MZY:A:604,valid,ic50,>,1000,uM,C1=CNC(=S)N1,
,,,MZY:B:604,valid,ic50,>,1000,uM,C1=CNC(=S)N1,
,,6T0A,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M58:A:601,valid,ic50,=,2040,uM,c1cc(cnc1)[C@H](N)S,
,,,M58:B:601,valid,ic50,=,2040,uM,c1cc(cnc1)[C@H](N)S,
,,6SZR,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M3Z:B:601,valid,ic50,>,1000,uM,CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2,
,,6T10,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M6Z:B:601,valid,ic50,=,348,uM,CNC(=O)c1c2cc(ccc2[nH]n1)I,
,,,M6Z:A:601,valid,ic50,=,348,uM,CNC(=O)c1c2cc(ccc2[nH]n1)I,
,,6RT6,,,,,,,
,,,SO4:C:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,G   G   6MZ C  :E:1,valid,Kd,=,11.1,uM,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3ncnc(NC)c3nc2)OC1CO)[O-],
,,,G   G   6MZ C  :A:1,valid,Kd,=,11.1,uM,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3ncnc(NC)c3nc2)OC1CO)[O-],
,,6SZ3,,,,,,,
,,,M1H:B:601,valid,,,,,CNc1ccnc2c1CCCC2,
,,,M1H:B:602,valid,,,,,CNc1ccnc2c1CCCC2,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6T0X,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M6W:B:601,valid,ic50,>,1000,uM,CNC(=O)[C@H]1CCNC1,
,,,M6W:A:601,valid,ic50,>,1000,uM,CNC(=O)[C@H]1CCNC1,
,,6T06,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M5H:B:601,valid,ic50,=,2010,uM,c1ccc2c(c1)c([nH]n2)C3NCCN3,
,,6SZ8,,,,,,,
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M1Z:B:601,valid,ic50,>,1000,uM,C1CCN(C1)C2=NC(=O)NC(=O)C2,
,,6T12,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M78:B:601,valid,ic50,=,825,uM,Cc1c([nH]c2c1cc(cc2)C(=O)NC)C,
,,,M78:A:601,valid,ic50,=,825,uM,Cc1c([nH]c2c1cc(cc2)C(=O)NC)C,
,,6T0D,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4N:B:601,valid,ic50,=,391,uM,CNC(=O)c1cc(n[nH]1)c2ccccc2,
,,,M4N:A:601,valid,ic50,=,391,uM,CNC(=O)c1cc(n[nH]1)c2ccccc2,
,,6T09,,,,,,,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M4T:A:601,valid,,,,,CC(=O)Nc1cccnc1,
,,,M4T:B:601,valid,,,,,CC(=O)Nc1cccnc1,
,Family. Representative Entry is ,5YGF,,,,,,,
,,,ASP GLN GLY ARG GLY ARG ARG ARG PRO:D:4,valid,Kd,=,0.62,uM,O=C(NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)N)C([NH3+])CC(=O)[O-],
,Family. Representative Entry is ,3KYG,,,,,,,
,,,5GP 5GP:A:501,valid,Kd,=,55.1,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,,,5GP 5GP:A:503,valid,Kd,=,55.1,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,,,5GP 5GP:B:501,valid,Kd,=,55.1,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,,,5GP 5GP:B:503,valid,Kd,=,55.1,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,Family. Representative Entry is ,5FNU,,,,,,,
,,,L6I:A:1615,valid,Kd,=,0.0013,uM,Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C,
,,,CL:A:1616,invalid,,,,,[Cl-],
,,6T7Z,,,,,,,
,,,ACY MV5 ASA 4FB GLU THR GLY GLU:B:1,valid,ic50,=,55,nM,FC1CN2C(=O)C(CC(=O)[O-])NC(=O)C(NC(=O)C)CSSCC(C(=O)N)NC(=O)C(CCC(=O)[O-])NC(=O)CNC(=O)C(C(O)C)NC(=O)C(CCC(=O)[O-])NC(=O)C2C1,
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,5FNT,,,,,,,
,,,CL:A:1614,invalid,,,,,[Cl-],
,,,0PL:A:1615,valid,Kd,=,0.67,uM,Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)c4ccccc4)Cl,
,,4L7C,,,,,,,
,,,1VW:A:701,valid,ic50,=,7.4,uM,c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6,
,,,1VW:C:701,valid,ic50,=,7.4,uM,c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6,
,,,1VW:B:701,valid,ic50,=,7.4,uM,c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5c6[nH]nnn6,
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:B:702,invalid,,,,,CC(=O)[O-],
,,,ACT:C:703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:703,invalid,,,,,CC(=O)[O-],
,,,ACT:C:702,invalid,,,,,CC(=O)[O-],
,,7C60,,,,,,,
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,SO4:A:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NF3:A:803,valid,Kd,=,27,nM,CCOC(=O)/C=CC(=O)O,
,,,NF3:A:801,valid,Kd,=,27,nM,CCOC(=O)/C=CC(=O)O,
,,4ZY3,,,,,,,
,,,FMT:B:701,invalid,,,,,C(=O)O,
,,,FMT:A:701,invalid,,,,,C(=O)O,
,,,K67:A:702,valid,,,,,CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C,
,,,K67:B:702,valid,,,,,CCOc1ccc(cc1)S(=O)(=O)Nc2cc(c(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OCC)CC(=O)C,
,,7C5E,,,,,,,
,,,FUM:A:801,valid,Kd,=,8.4,nM,C(=C/C(=O)O)C(=O)O,
,,,FUM:A:802,valid,Kd,=,8.4,nM,C(=C/C(=O)O)C(=O)O,
,,,FUM:A:805,valid,Kd,=,8.4,nM,C(=C/C(=O)O)C(=O)O,
,,,PGE:A:804,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:806,invalid,,,,,CC(=O)[O-],
,,,SO4:A:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FZJ,,,,,,,
,,,75K:A:1614,valid,,,,,Cc1nc2c(o1)C=C(OC2=O)C,
,,6Z6A,,,,,,,
,,,CL:A:703,invalid,,,,,[Cl-],
,,,NA:A:702,invalid,,,,,[Na+],
,,,Q9E:A:701,valid,Kd,=,3.7,uM,CC(=O)N1CCC[C@H]1C(=O)N[C@@H]2COC(=O)c3ccccc3CSC[C@@H](NC2=O)C(=O)N(C)C,
,,3ZGC,,,,,,,
,,,ACT:B:1615,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1612,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1612,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1610,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1614,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1613,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1611,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1613,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1611,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1610,invalid,,,,,CC(=O)[O-],
,,,GLY ASP GLU GLU THR GLY GLU:C:76,valid,,,,,O=C(NCC(=O)NC(C=O)CCC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C(O)C,
,,5FNR,,,,,,,
,,,XMS:A:1614,valid,Kd,=,59,uM,Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(cc3)Cl,
,,6QMC,,,,,,,
,,,J6H:A:701,valid,,,,,c1cc(ccc1[C@H](CC(=O)O)C2=CC(=O)NC=C2)Cl,
,,5FNS,,,,,,,
,,,XYY:A:1614,valid,Kd,=,4,uM,Cn1c2ccc(cc2nn1)[C@@H](CC(=O)O)c3ccc(c(c3)CN(C)S(=O)(=O)C)Cl,
,,,CL:A:1615,invalid,,,,,[Cl-],
,,1X2R,,,,,,,
,,,LEU ASP GLU GLU THR GLY GLU PHE LEU:B:76,valid,Ka,=,5510000,M^-1,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])C(O)C)CCC(=O)[O-])Cc1ccccc1)CC(C)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6QMD,,,,,,,
,,,J6N:A:703,valid,ic50,=,170,uM,Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl,
,,,J6N:A:702,valid,ic50,=,170,uM,Cn1c2ccc(cc2nn1)[C@H](CC(=O)O)c3ccc(cc3)Cl,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,6LRZ,,,,,,,
,,,EOU:A:1002,valid,Kd,=,10,nM,COC(=O)/C=C/C(=O)OC,
,,,EOU:A:1004,valid,Kd,=,10,nM,COC(=O)/C=C/C(=O)OC,
,,,EOU:A:1001,valid,Kd,=,10,nM,COC(=O)/C=C/C(=O)OC,
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:1003,invalid,,,,,CC(=O)[O-],
,,,PG5:A:1005,invalid,,,,,COCCOCCOCCOC,
,,6UF0,,,,,,,
,,,FMT:A:707,invalid,,,,,C(=O)O,
,,,FMT:B:703,invalid,,,,,C(=O)O,
,,,FMT:A:708,invalid,,,,,C(=O)O,
,,,FMT:A:705,invalid,,,,,C(=O)O,
,,,FMT:B:702,invalid,,,,,C(=O)O,
,,,FMT:A:702,invalid,,,,,C(=O)O,
,,,FMT:A:706,invalid,,,,,C(=O)O,
,,,FMT:A:703,invalid,,,,,C(=O)O,
,,,NA:B:704,Part of Protein,,,,,[Na+],
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,Q5Y:B:701,valid,ic50,=,230,nM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC,
,,,Q5V:A:701,valid,ic50,=,73,nM,COc1ccc(cc1)S(=O)(=O)N(CC(=O)O)c2c3ccccc3c(cn2)N(CC(F)(F)F)S(=O)(=O)c4ccc(cc4)OC,
,,,DMS:A:704,invalid,,,,,CS(=O)C,
,,6V6Z,,,,,,,
,,,FMT:B:711,invalid,,,,,C(=O)O,
,,,FMT:B:715,invalid,,,,,C(=O)O,
,,,FMT:C:704,invalid,,,,,C(=O)O,
,,,FMT:B:718,invalid,,,,,C(=O)O,
,,,FMT:D:712,invalid,,,,,C(=O)O,
,,,FMT:C:711,invalid,,,,,C(=O)O,
,,,FMT:A:715,invalid,,,,,C(=O)O,
,,,FMT:B:704,invalid,,,,,C(=O)O,
,,,FMT:A:711,invalid,,,,,C(=O)O,
,,,FMT:B:702,invalid,,,,,C(=O)O,
,,,FMT:D:702,invalid,,,,,C(=O)O,
,,,FMT:C:712,invalid,,,,,C(=O)O,
,,,FMT:C:710,invalid,,,,,C(=O)O,
,,,FMT:C:708,invalid,,,,,C(=O)O,
,,,FMT:A:713,invalid,,,,,C(=O)O,
,,,FMT:A:712,invalid,,,,,C(=O)O,
,,,FMT:B:717,invalid,,,,,C(=O)O,
,,,FMT:B:701,invalid,,,,,C(=O)O,
,,,FMT:D:719,invalid,,,,,C(=O)O,
,,,FMT:B:706,invalid,,,,,C(=O)O,
,,,FMT:B:708,invalid,,,,,C(=O)O,
,,,FMT:C:714,invalid,,,,,C(=O)O,
,,,FMT:D:701,invalid,,,,,C(=O)O,
,,,FMT:B:710,invalid,,,,,C(=O)O,
,,,FMT:A:714,invalid,,,,,C(=O)O,
,,,FMT:A:701,invalid,,,,,C(=O)O,
,,,FMT:B:712,invalid,,,,,C(=O)O,
,,,FMT:C:702,invalid,,,,,C(=O)O,
,,,FMT:D:716,invalid,,,,,C(=O)O,
,,,FMT:A:706,invalid,,,,,C(=O)O,
,,,FMT:C:709,invalid,,,,,C(=O)O,
,,,FMT:C:718,invalid,,,,,C(=O)O,
,,,FMT:C:715,invalid,,,,,C(=O)O,
,,,FMT:A:704,invalid,,,,,C(=O)O,
,,,FMT:B:716,invalid,,,,,C(=O)O,
,,,FMT:B:709,invalid,,,,,C(=O)O,
,,,FMT:D:707,invalid,,,,,C(=O)O,
,,,FMT:A:702,invalid,,,,,C(=O)O,
,,,FMT:C:719,invalid,,,,,C(=O)O,
,,,FMT:D:718,invalid,,,,,C(=O)O,
,,,FMT:D:713,invalid,,,,,C(=O)O,
,,,FMT:B:714,invalid,,,,,C(=O)O,
,,,FMT:D:714,invalid,,,,,C(=O)O,
,,,FMT:C:720,invalid,,,,,C(=O)O,
,,,FMT:D:715,invalid,,,,,C(=O)O,
,,,FMT:C:713,invalid,,,,,C(=O)O,
,,,FMT:C:701,invalid,,,,,C(=O)O,
,,,FMT:C:716,invalid,,,,,C(=O)O,
,,,FMT:D:717,invalid,,,,,C(=O)O,
,,,FMT:B:705,invalid,,,,,C(=O)O,
,,,FMT:B:713,invalid,,,,,C(=O)O,
,,,FMT:B:703,invalid,,,,,C(=O)O,
,,,FMT:D:703,invalid,,,,,C(=O)O,
,,,FMT:D:705,invalid,,,,,C(=O)O,
,,,FMT:A:707,invalid,,,,,C(=O)O,
,,,FMT:B:719,invalid,,,,,C(=O)O,
,,,FMT:A:710,invalid,,,,,C(=O)O,
,,,FMT:D:711,invalid,,,,,C(=O)O,
,,,FMT:C:703,invalid,,,,,C(=O)O,
,,,FMT:D:706,invalid,,,,,C(=O)O,
,,,FMT:C:717,invalid,,,,,C(=O)O,
,,,NA:A:709,Part of Protein,,,,,[Na+],
,,,NA:D:710,Part of Protein,,,,,[Na+],
,,,NA:D:708,Part of Protein,,,,,[Na+],
,,,NA:B:721,Part of Protein,,,,,[Na+],
,,,NA:B:720,Part of Protein,,,,,[Na+],
,,,NA:A:708,Part of Protein,,,,,[Na+],
,,,NA:C:705,Part of Protein,,,,,[Na+],
,,,NA:A:705,invalid,,,,,[Na+],
,,,Q5Y:B:707,valid,ic50,=,63,nM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC,
,,,Q5Y:C:706,valid,ic50,=,63,nM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC,
,,,Q5Y:A:703,valid,ic50,=,63,nM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC,
,,,Q5Y:D:704,valid,ic50,=,63,nM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)N(CC(=O)O)S(=O)(=O)c4ccc(cc4)OC,
,,,DTD:C:707,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,DTT:D:709,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,5FNQ,,,,,,,
,,,S0W:A:1614,valid,,,,,c1cc(ccc1CCC(=O)O)Cl,
,,6TYP,,,,,,,
,,,FMT:A:801,invalid,,,,,C(=O)O,
,,,PKG:A:802,valid,Kd,=,2.7,nM,CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3ccc4c(c3)CN(CC4)C(=O)c5ccccc5,
,,6QME,,,,,,,
,,,J6Q:A:702,valid,ic50,=,44,uM,Cc1cc(ccc1Cl)[C@H](CC(=O)O)c2ccc3c(c2)nnn3C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L7D,,,,,,,
,,,ACT:C:706,invalid,,,,,CC(=O)[O-],
,,,ACT:C:703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:702,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:B:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:C:705,invalid,,,,,CC(=O)[O-],
,,,ACT:B:704,invalid,,,,,CC(=O)[O-],
,,,ACT:C:702,invalid,,,,,CC(=O)[O-],
,,,ACT:C:704,invalid,,,,,CC(=O)[O-],
,,,1VX:A:701,valid,ic50,=,0.75,uM,Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O,
,,,1VX:B:701,valid,ic50,=,0.75,uM,Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O,
,,,1VX:C:701,valid,ic50,=,0.75,uM,Cc1cccc2c1CCN([C@@H]2CN3Cc4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O,
,,6TYM,,,,,,,
,,,08A:A:704,valid,Kd,=,13.5,nM,CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C,
,,,08A:A:703,valid,Kd,=,13.5,nM,CCn1c2ccc(c(c2nn1)C)[C@@H](CC(=O)O)c3cc(c4c(c3)CN(CC4)C(=O)c5ccccc5)C,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,5FZN,,,,,,,
,,,FB2:A:1615,valid,,,,,c1ccc(cc1)S(=O)(=O)N,
,,,SO4:A:1614,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5X54,,,,,,,
,,,ACE GLU TRP TRP TRP:C:0,valid,Kd,=,10,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2,
,,,ACE GLU TRP TRP TRP:D:0,valid,Kd,=,10,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2,
,,,ACT:B:902,invalid,,,,,CC(=O)[O-],
,,,ACT:B:901,invalid,,,,,CC(=O)[O-],
,,6QMJ,,,,,,,
,,,CL:A:702,invalid,,,,,[Cl-],
,,,J6K:A:703,valid,ic50,=,0.069,uM,Cc1ccc(cc1CN(C)S(=O)(=O)c2ccccc2)[C@H](CC(=O)O)c3cc4c(c(c3)OC)n(nn4)C,
,,,SO4:A:701,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4L7B,,,,,,,
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:A:701,invalid,,,,,CC(=O)[O-],
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:702,invalid,,,,,CC(=O)[O-],
,,,ACT:B:703,invalid,,,,,CC(=O)[O-],
,,,1VV:B:701,valid,ic50,=,2.3,uM,c1ccc2c(c1)CCN([C@@H]2CN3C(=O)c4ccccc4C3=O)C(=O)[C@@H]5CCCC[C@@H]5C(=O)O,
,,,NA:B:702,invalid,,,,,[Na+],
,,4IQK,,,,,,,
,,,IQK:A:701,valid,ic50,=,2.7,uM,COc1ccc(cc1)S(=O)(=O)Nc2ccc(c3c2cccc3)NS(=O)(=O)c4ccc(cc4)OC,
,,4XMB,,,,,,,
,,,41P:A:701,valid,Kd,=,44,nM,COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)OC,
,Family. Representative Entry is ,6A71,,,,,,,
,,,9UX:B:101,valid,,,,,O=[MoH2]1S[MoH2](=O)S1,
,,,PEG:A:101,invalid,,,,,C(COCCO)O,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,CA:A:103,Part of Protein,,,,,[Ca+2],
,,6A72,,,,,,,
,,,9UX:A:101,valid,,,,,O=[MoH2]1S[MoH2](=O)S1,
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4XSU,,,,,,,
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,UDP:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,4XSR,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:405,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,UPG:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,EPE:B:401,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4XSP,,,,,,,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5MW2,,,,,,,
,,,U52:A:201,valid,ic50,<,3,nM,C[C@@H]1C[C@@H](CN(C1)c2ncc(c(n2)Nc3ccc4c(c3)C=C(C(=O)N4C)OCC(=O)NC)Cl)C,
,,5MW6,,,,,,,
,,,RC0:A:202,valid,ic50,=,18648,nM,Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C,
,,,RC0:A:201,valid,ic50,=,18648,nM,Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C,
,,5N20,,,,,,,
,,,8GN:A:201,valid,ic50,=,61,uM,CC(=O)Nc1cc(ccc1N2CC[C@H](C2)N(C)C)Nc3cc(n4c(n3)c(cn4)C#N)NC5CC5,
,,3LBZ,,,,,,,
,,,Z88:A:200,invalid,,,,,CC(=O)NS(=O)(=O)c1ccc(cc1)Br,
,,,Z88:B:200,invalid,,,,,CC(=O)NS(=O)(=O)c1ccc(cc1)Br,
,,,Z89:A:201,valid,Kd,=,138,uM,c1cc2c(cc1Br)/C(=C/3C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2,
,,,Z89:A:202,valid,Kd,=,138,uM,c1cc2c(cc1Br)/C(=C/3C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2,
,,,Z89:B:203,valid,Kd,=,138,uM,c1cc2c(cc1Br)/C(=C/3C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(=O)N2,
,,6TOG,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,CL:A:203,invalid,,,,,[Cl-],
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,,NQH:A:201,valid,ic50,=,207,uM,c1cnc(c(c1NCC2CC2)C#N)Cl,
,,6CQ1,,,,,,,
,,,F8J:A:201,valid,Kd,=,219,uM,CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C,
,,,F8J:B:201,valid,Kd,=,219,uM,CC(C)NC(=O)Cn1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc4)CN5CCN(CC5)C,
,,4CP3,,,,,,,
,,,RBT:B:1129,valid,,,,,Cc1c(c2c3c4c1O[C@@](C4=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O,
,,6TOH,,,,,,,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,,NQK:A:201,valid,ic50,=,10.5,uM,CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl,
,,6TOI,,,,,,,
,,,NQN:A:201,valid,ic50,=,1.7,uM,C[C@H](CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,,DMS:A:206,invalid,,,,,CS(=O)C,
,,,DMS:A:207,invalid,,,,,CS(=O)C,
,,6EW6,,,,,,,
,,,C0H:A:201,valid,Kd,>,829,uM,c1ccc(c(c1)Nc2ncnc(n2)N)Cl,
,,6C3L,,,,,,,
,,,EGP:B:201,valid,Kd,=,44,uM,CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6,
,,,EGP:A:201,valid,Kd,=,44,uM,CN1CCN(CC1)Cc2cn(c3c2ccc(c3)NC(=S)NCCc4c[nH]c5c4cccc5)CC(=O)N6CCOCC6,
,,6TOF,,,,,,,
,,,NQE:A:201,valid,ic50,=,86,uM,CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,6TON,,,,,,,
,,,NR5:A:201,valid,ic50,=,0.097,uM,CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,6EW8,,,,,,,
,,,C0Q:A:202,valid,,,,,CN1c2c(cc3cc2OCCOC[C@H]4CNCCN4c5ncc(c(n5)N3)Cl)CCC1=O,
,,,CL:A:201,invalid,,,,,[Cl-],
,,6TOK,,,,,,,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:213,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:212,invalid,,,,,C(CO)O,
,,,DMS:A:215,invalid,,,,,CS(=O)C,
,,,DMS:B:101,invalid,,,,,CS(=O)C,
,,,DMS:A:214,invalid,,,,,CS(=O)C,
,,,DMS:A:216,invalid,,,,,CS(=O)C,
,,,NQT:A:201,valid,ic50,=,0.26,uM,Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,5N21,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,8HN:B:202,valid,Kd,=,1.1,uM,c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2,
,,,8HN:A:202,valid,Kd,=,1.1,uM,c1cc2c(cc1Nc3cc(nc4n3ncc4C#N)N5CCC[C@H]5CC(=O)O)CCC(=O)N2,
,,5MWD,,,,,,,
,,,TJ3:A:201,valid,ic50,=,632,nM,Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc4c(c3)CC(=O)N4)Cl)C,
,,6EW7,,,,,,,
,,,CL:B:201,invalid,,,,,[Cl-],
,,,CL:A:201,invalid,,,,,[Cl-],
,,,C1W:A:202,valid,ic50,=,2.9,uM,c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F,
,,,C1W:B:202,valid,ic50,=,2.9,uM,c1cc(ccc1Nc2c(cnc(n2)Nc3ccc(c(c3)Cl)C(=O)O)Cl)F,
,,6TOO,,,,,,,
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,ALA TRP VAL ILE PRO ALA:B:0,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[NH3+])CCC1)C(CC)C)C(NC(=O)C(NC(=O)C)Cc1c2c([nH]c1)cccc2)C(C)C,
,,,NR8:A:201,valid,ic50,=,5.4,uM,CC[C@@H](CN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O,
,,5N1Z,,,,,,,
,,,8GQ:A:202,valid,Kd,=,0.0065,uM,c1c2cc(c3c1CCC(=O)N3)OC/C=C/CO[C@H]4C[C@H](N(C4)c5cc(n6c(n5)c(cn6)C#N)N2)CO,
,,,CL:A:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5MTT,,,,,,,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:418,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:419,invalid,,,,,C(CO)O,
,,,EDO:A:417,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC:B:1,valid,Kd,=,27,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:A:405,valid,Kd,=,27,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,CL:A:421,invalid,,,,,[Cl-],
,,,CL:A:422,invalid,,,,,[Cl-],
,,,CL:A:420,invalid,,,,,[Cl-],
,,5MKA,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,49,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5MK9,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:902,invalid,,,,,[Cl-],
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,38,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,5M28,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GLC GLC GLC:B:1,valid,Kd,=,48,uM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5MTU,,,,,,,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,136,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,6M77,,,,,,,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:A:1005,invalid,,,,,C(CO)O,
,,,EDO:A:1006,invalid,,,,,C(CO)O,
,,,CA:A:1007,Part of Protein,,,,,[Ca+2],
,,,NGA:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5FHD,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ADP ALF:B:501,valid,,,,,,
,,,ADP ALF:A:501,valid,,,,,,
,Family. Representative Entry is ,6P9E,,,,,,,
,,,O6D:A:4000,valid,Kd,=,67.6,nM,Cc1ccc(cc1N)c2cc(nc(n2)O[C@H](C(=O)O)C(c3ccccc3)(c4ccccc4)OC)C,
,Family. Representative Entry is ,6PXH,,,,,,,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:A:423,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:415,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,DHF:B:419,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,DHF:A:428,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(NC2)NC(=NC3=O)N,
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:426,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:417,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:427,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:425,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:418,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:424,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:O:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN MAN MAN MAN:J:1,invalid,,,,,,
,Family. Representative Entry is ,5NBW,,,,,,,
,,,8SK:A:301,valid,,,,,c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O,
,,,8SK:L:301,valid,,,,,c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O,
,Family. Representative Entry is ,2ISJ,,,,,,,
,,,FMN:A:502,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:504,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:503,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:506,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:505,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:G:508,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:H:507,valid,Ki,=,231,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,2ISK,,,,,,,
,,,FNR:A:502,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:C:504,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:D:503,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:E:506,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:F:505,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:G:508,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:H:507,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2XXP,,,,,,,
,,,DSL:A:1485,valid,,,,,CC(=CCC/C(=C/CC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C,
,,,PEG:A:1486,invalid,,,,,C(COCCO)O,
,,,PEG:A:1487,invalid,,,,,C(COCCO)O,
,,3TEL,,,,,,,
,,,ACT:A:496,invalid,,,,,CC(=O)[O-],
,,,ACT:A:497,invalid,,,,,CC(=O)[O-],
,,,ACT:A:498,invalid,,,,,CC(=O)[O-],
,,,ACT:A:499,invalid,,,,,CC(=O)[O-],
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,MN:A:495,Part of Protein,,,,,[Mn+2],
,,,ZTP:A:1,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,4DE8,,,,,,,
,,,0K3:A:501,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCOP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,3TFL,,,,,,,
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:496,invalid,,,,,C(CO)O,
,,,EDO:A:497,invalid,,,,,C(CO)O,
,,,EDO:A:498,invalid,,,,,C(CO)O,
,,,EDO:A:499,invalid,,,,,C(CO)O,
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,ZTP:A:495,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,2XXQ,,,,,,,
,,,ACT:A:1484,invalid,,,,,CC(=O)[O-],
,,,EDO:A:1483,invalid,,,,,C(CO)O,
,,,EDO:A:1485,invalid,,,,,C(CO)O,
,,,EDO:A:1486,invalid,,,,,C(CO)O,
,,,EDO:A:1487,invalid,,,,,C(CO)O,
,,,EDO:A:1488,invalid,,,,,C(CO)O,
,,,ZTP:A:1489,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,3TEP,,,,,,,
,,,EDO:A:495,invalid,,,,,C(CO)O,
,,,EDO:A:496,invalid,,,,,C(CO)O,
,,,EDO:A:497,invalid,,,,,C(CO)O,
,,,EDO:A:498,invalid,,,,,C(CO)O,
,,,EDO:A:499,invalid,,,,,C(CO)O,
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,ZTP:A:503,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,5J3R,,,,,,,
,,,FES:A:301,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GSH:A:302,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5ZHO,,,,,,,
,,,GLA FUC A2G:B:1,valid,,,,,,
,Family. Representative Entry is ,4FOJ,,,,,,,
,,,C2E:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,4FOK,,,,,,,
,,,GOL:A:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,C2E:A:701,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5NNW,,,,,,,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,GCS:D:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O,
,,5NO9,,,,,,,
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,,,95Z:D:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)N)O)O)O,
,Family. Representative Entry is ,5XN3,,,,,,,
,,,ARG GLY ASP ILE ASN ASN ASN VAL:B:1,valid,Kd,=,671,nM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CC(=O)N)CC(=O)N)CC(=O)N)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(=O)[O-])C(CC)C,
,Family. Representative Entry is ,6AIN,,,,,,,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,1H6H,,,,,,,
,,,GOL:A:151,invalid,,,,,C(C(CO)O)O,
,,,PIB:A:150,valid,Kd,=,5,uM,CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,2OVD,,,,,,,
,,,DAO:A:190,valid,,,,,CCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3UPV,,,,,,,
,,,PRO THR VAL GLU GLU VAL ASP:B:650,valid,Kd,=,5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(C)C)CC(=O)[O-],
,Family. Representative Entry is ,5F1H,,,,,,,
,,,5U6:A:201,valid,Kd,=,14.1,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC,
,,,5U6:B:201,valid,Kd,=,14.1,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC,
,,6V1B,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,H1B:A:302,valid,Kd,=,37,nM,CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,,H1B:B:301,valid,Kd,=,37,nM,CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,6V0X,,,,,,,
,,,B49:A:301,valid,Kd,=,277,uM,CCN(CC)CCNC(=O)c1c(c([nH]c1C)/C=C2/c3cc(ccc3NC2=O)F)C,
,,4XY8,,,,,,,
,,,43U:A:201,valid,Kd,=,397,nM,COc1ccc(cc1c2c3c([nH]cn3)nc(n2)N)Br,
,,,BR:A:202,invalid,,,,,[Br-],
,,5IGM,,,,,,,
,,,BMF:A:301,valid,Kd,=,41.7,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,,BMF:B:301,valid,Kd,=,41.7,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,4Z6H,,,,,,,
,,,4L2:B:201,valid,Kd,=,612,nM,CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C,
,,,4L2:A:201,valid,Kd,=,612,nM,CC1=CC(=O)N(c2c1ccc(c2)N3CCCCC3=O)C,
,,6HM0,,,,,,,
,,,GBW:A:201,valid,Kd,=,73,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O,
,,,GBW:B:201,valid,Kd,=,73,nM,Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)C)OC)O,
,,5F1L,,,,,,,
,,,5U2:B:201,valid,ic50,=,21,nM,CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC,
,,,5U2:A:201,valid,ic50,=,21,nM,CC1=CC(=CN(C1=O)C)c2cc(c(c(c2)OC)CN3CC(C3)O)OC,
,,5F25,,,,,,,
,,,5TU:B:201,valid,Kd,=,9.1,uM,CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N,
,,,5TU:A:201,valid,Kd,=,9.1,uM,CC1=CC(=CN(C1=O)C)c2ccc(cc2)C(=O)N,
,,4Z6I,,,,,,,
,,,4L3:A:201,valid,,,,,CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C,
,,,4L3:B:201,valid,,,,,CC1=CC(=O)N(c2c1ccc(c2)N3[C@@H]([C@H](CCC3=O)NC(=O)OC(C)(C)C)c4ccccc4)C,
,,6V0S,,,,,,,
,,,EAE:A:301,valid,Kd,=,16000,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EAE:B:301,valid,Kd,=,16000,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,5EU1,,,,,,,
,,,5SW:A:201,valid,Kd,=,15.4,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC,
,,,5SW:B:201,valid,Kd,=,15.4,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC,
,,6V14,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,QMG:A:301,valid,Kd,=,82,nM,Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4,
,,5F2P,,,,,,,
,,,5TY:A:201,valid,Kd,=,37.5,uM,CN1C=Cc2c(cnc(n2)N(C)C)C1=O,
,,,5TY:B:201,valid,Kd,=,37.5,uM,CN1C=Cc2c(cnc(n2)N(C)C)C1=O,
,Family. Representative Entry is ,2Y8E,,,,,,,
,,,GNP:A:1176,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1176,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1177,Part of Protein,,,,,[Mg+2],
,,,MG:B:1177,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KQA,,,,,,,
,,,GSH:A:201,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4OAG,,,,,,,
,,,ADP:A:501,valid,Kd,=,0.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,Kd,=,0.5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NXV,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:C:501,valid,Kd,=,3.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,Kd,=,3.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,Kd,=,3.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:501,valid,Kd,=,3.8,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,4NXU,,,,,,,
,,,ADP:A:501,valid,Kd,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:501,valid,Kd,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,Kd,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:501,valid,Kd,=,2.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6CUG,,,,,,,
,,,POV:D:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,CUY:A:402,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC,
,,,CL:E:301,invalid,,,,,[Cl-],
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4UYG,,,,,,,
,,,73B:F:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:A:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:C:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:D:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:E:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:B:1456,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,SO4:A:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5JCP,,,,,,,
,,,MG:A:1202,Part of Protein,,,,,[Mg+2],
,,,MG:B:1202,Part of Protein,,,,,[Mg+2],
,,,GDP ALF:A:1201,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,GDP ALF:B:1201,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,Family. Representative Entry is ,1NA0,,,,,,,
,,,ACT:B:207,invalid,,,,,CC(=O)[O-],
,,,CL:B:300,invalid,,,,,[Cl-],
,,,IPT:B:200,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:206,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:B:386,invalid,,,,,[Mg+2],
,,,NA:B:320,invalid,,,,,[Na+],
,,,NA:B:435,invalid,,,,,[Na+],
,,,PB:A:275,invalid,,,,,[Pb+2],
,,,PB:A:278,invalid,,,,,[Pb+2],
,,,PB:B:274,invalid,,,,,[Pb+2],
,,,PB:B:276,invalid,,,,,[Pb+2],
,,,PB:B:277,invalid,,,,,[Pb+2],
,Family. Representative Entry is ,6AOV,,,,,,,
,,,NAG:A:413,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:414,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG GAL NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(NC(=O)C)C(O)OC2CO)OC(CO)C1O)C,
,,6NSF,,,,,,,
,,,NAG:A:415,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:416,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG FUL:D:1,invalid,,,,,,
,,6BKT,,,,,,,
,,,1PE:B:202,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:B:203,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SO4:A:416,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:415,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,PEG:A:414,invalid,,,,,C(COCCO)O,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6AOS,,,,,,,
,,,NAG:A:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:411,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6BKS,,,,,,,
,,,SIA:A:416,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG:A:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:415,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,6AOT,,,,,,,
,,,NAG:A:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:411,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,6NSG,,,,,,,
,,,SIA:A:415,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:414,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG FUL:D:1,invalid,,,,,,
,,6BKR,,,,,,,
,,,NAG:A:412,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:D:1,invalid,,,,,,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3AIH,,,,,,,
,,,BMA MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3U3U,,,,,,,
,,,CIT:C:234,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:235,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,EAH:C:236,valid,Kd,=,133.3,nM,CCCCCC=C/CC=C/C=C/C=CC[C@H](CCCC(=O)O)O,
,,,PR:C:233,invalid,,,,,[Pr+3],
,,3U3L,,,,,,,
,,,CIT:C:235,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:236,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:C:233,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PR:C:234,invalid,,,,,[Pr+3],
,,3U3N,,,,,,,
,,,CIT:C:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:C:304,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PR:C:301,invalid,,,,,[Pr+3],
,Family. Representative Entry is ,3O3O,,,,,,,
,,,2RH:A:410,valid,,,,,CC(C)C[C@H](C(=O)O)O,
,,,H2S:B:387,invalid,,,,,S,
,,,SF4:A:409,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:386,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,3O3N,,,,,,,
,,,H2S:B:387,invalid,,,,,S,
,,,H2S:D:387,invalid,,,,,S,
,,,IRC:A:410,valid,,,,,CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,IRC:C:410,valid,,,,,CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O,
,,,SF4:A:409,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:386,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:409,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:386,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5EXA,,,,,,,
,,,BEZ:A:302,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:303,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,PRO ARG ARG ASN TPO LEU PRO ALA MET ASP GLN:D:387,Part of Protein,,,,,,
,,,PRO ARG ARG ASN TPO LEU PRO ALA MET ASP GLN:C:387,Part of Protein,,,,,,
,,,5SO:A:301,valid,,,,,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC,
,,,5SO:B:302,valid,,,,,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)COC(O5)(C)C)O)O)C(C)C)C)COC,
,Family. Representative Entry is ,4ZKD,,,,,,,
,,,PO4:A:801,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,GDP:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4ZKE,,,,,,,
,,,GTP:A:802,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NA:A:803,invalid,,,,,[Na+],
,,,MG:A:801,Part of Protein,,,,,[Mg+2],
,,,PGE:A:804,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,6IZF,,,,,,,
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,BQ9:A:407,valid,,,,,CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C=C/C/C=C/CC,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6R2U,,,,,,,
,,,11D:A:305,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:B:301,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:F:301,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:B:306,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:E:301,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:B:305,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:D:301,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,11D:C:301,valid,Kd,=,0.51,uM,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCCCCCCCC(=O)O,
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AZI:B:302,invalid,,,,,[N-]=[N+]=[N-],
,Family. Representative Entry is ,6RL3,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,K48:A:305,valid,,,,,[H]/N=C(c1cc(c(s1)N)c2ccccc2)/N,
,,6RM7,,,,,,,
,,,K92:A:304,valid,,,,,[H]/N=C(/c1cc(c(s1)c2cncn2CCN)c3ccccc3)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6RKK,,,,,,,
,,,K6W:A:305,valid,,,,,[H]/N=C(/c1cc(c(s1)Cc2ccccc2)c3ccccc3)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,6RL4,,,,,,,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,K7N:A:304,valid,,,,,[H]/N=C(c1cc(c(s1)c2cn(cn2)CCN)c3ccccc3)/N,
,,6S40,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,KTW:A:307,valid,,,,,[H]/N=C(c1cc2c(s1)cccc2Cl)/N,
,,,KTW:A:308,valid,,,,,[H]/N=C(c1cc2c(s1)cccc2Cl)/N,
,,,KTW:A:306,valid,,,,,[H]/N=C(c1cc2c(s1)cccc2Cl)/N,
,,,KTW:A:309,valid,,,,,[H]/N=C(c1cc2c(s1)cccc2Cl)/N,
,,,CA:A:311,Part of Protein,,,,,[Ca+2],
,,,GOL:A:310,invalid,,,,,C(C(CO)O)O,
,,6SIQ,,,,,,,
,,,LF5:A:302,valid,,,,,[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)N,
,,,LF5:A:303,valid,,,,,[H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,6RX2,,,,,,,
,,,KM2:A:305,valid,,,,,[H]/N=C(c1cc2cccc(c2s1)N[C@@H](C)CN)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CA:A:304,invalid,,,,,[Ca+2],
,,6S9Q,,,,,,,
,,,L1T:A:303,valid,,,,,[H]/N=C(c1cc(c(s1)c2ccccc2)C)/N,
,,,L1T:A:301,valid,,,,,[H]/N=C(c1cc(c(s1)c2ccccc2)C)/N,
,,,L1T:A:302,valid,,,,,[H]/N=C(c1cc(c(s1)c2ccccc2)C)/N,
,,,CA:A:304,invalid,,,,,[Ca+2],
,,6S3C,,,,,,,
,,,KDK:A:304,valid,,,,,[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)N,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6RKM,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,K6Z:A:305,valid,,,,,[H]/N=C(c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N,
,,,K6Z:A:304,valid,,,,,[H]/N=C(c1cc(c(s1)Nc2ccccc2)c3ccccc3)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,6RM5,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,K8W:A:306,valid,,,,,[H]/N=C(c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N,
,,,K8W:A:305,valid,,,,,[H]/N=C(c1cc2cccc(c2s1)c3ccc(c(n3)N)C)/N,
,,6SIP,,,,,,,
,,,LFB:A:304,valid,,,,,[H]/N=C(c1cc2cccc(c2s1)OC)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6S39,,,,,,,
,,,CA:A:302,invalid,,,,,[Ca+2],
,,,K5Z:A:301,valid,,,,,[H]/N=C(c1cc(c(s1)CCCN)c2ccccc2)/N,
,,6RJZ,,,,,,,
,,,K6B:A:305,valid,,,,,[H]/N=C(/c1cc2cccc(c2s1)c3cccc(n3)N)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,CL:A:303,invalid,,,,,[Cl-],
,,6SIN,,,,,,,
,,,K65:A:301,valid,,,,,[H]/N=C(c1cc(cs1)c2ccccc2NC(=O)C=C)/N,
,,6RWI,,,,,,,
,,,CA:A:302,invalid,,,,,[Ca+2],
,,,MG:P:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,KLE:A:301,valid,,,,,[H]/N=C(c1ccc(s1)c2ccccc2)/N,
,,6SLV,,,,,,,
,,,LJW:A:305,valid,,,,,[H]/N=C(c1cc2c(ccc(c2s1)OC(C)C)NC)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,6RKI,,,,,,,
,,,K6T:A:304,valid,,,,,[H]/N=C(c1cc(c(s1)Nc2cccc(c2)N)c3ccccc3)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6RK8,,,,,,,
,,,K6N:A:304,valid,,,,,[H]/N=C(c1cc2cccc(c2s1)n3cc(c(n3)N)C)/N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,6SIO,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,LFQ:A:305,valid,,,,,[H]/N=C(/c1cc(c(s1)C)c2ccccc2)N,
,,,LFQ:A:304,valid,,,,,[H]/N=C(/c1cc(c(s1)C)c2ccccc2)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,6RL6,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,K7Q:A:303,valid,,,,,[H]/N=C(/c1cc2c(ccc(c2s1)OC)C(=O)NCCN)N,
,,6RWH,,,,,,,
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:P:401,Part of Protein,,,,,[Mg+2],
,,,KLB:A:302,valid,,,,,[H]/N=C(c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N,
,,,KLB:A:301,valid,,,,,[H]/N=C(c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N,
,,,CA:A:303,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,5TED,,,,,,,
,,,SKM:A:401,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,SKM:B:401,valid,,,,,C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O,
,,,GLY ALA TYR GLY ALA GLY LEU ALA HIS:H:298,invalid,,,,,,
,Family. Representative Entry is ,5DI3,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1KYU,,,,,,,
,,,GLY SER ASP PRO PHE LYS:P:628,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)CC(=O)[O-])CCC1)Cc1ccccc1)CCCC[NH3+],
,,1KYF,,,,,,,
,,,GLY SER ASP PRO PHE LYS:P:628,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)CC(=O)[O-])CCC1)Cc1ccccc1)CCCC[NH3+],
,,1KY6,,,,,,,
,,,PHE SER ASP PRO TRP GLY GLY:P:375,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NCC(=O)[O-])Cc2c3c([nH]c2)cccc3)CCC1)CC(=O)[O-])CO)C([NH3+])Cc1ccccc1,
,,,SO4:P:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KYD,,,,,,,
,,,GLY SER ASP PRO TRP LYS:P:341,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CO)CC(=O)[O-])CCC1)Cc1c2c([nH]c1)cccc2)CCCC[NH3+],
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1KY7,,,,,,,
,,,SER PHE PHE GLU ASP ASN PHE VAL PRO GLU:P:322,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)[O-])CCC(=O)[O-])Cc1ccccc1)Cc1ccccc1)C([NH3+])CO,
,Family. Representative Entry is ,2X68,,,,,,,
,,,CTE:A:1360,valid,Ka,=,21000,M^-1,c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N,
,,,CYN:A:1361,invalid,,,,,[C-]#N,
,,,HEM:A:1359,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:1362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2X67,,,,,,,
,,,CYN:A:1363,invalid,,,,,[C-]#N,
,,,HEM:A:1359,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:1361,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP:A:1360,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,2V7K,,,,,,,
,,,DTR:A:1361,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)N,
,,,HEM:A:1360,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:1362,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1363,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1364,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2V7M,,,,,,,
,,,DTE:A:1360,valid,,,,,c1cc2c(c[nH]c2c(c1)Cl)C[C@H](C(=O)O)N,
,,,HEM:A:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:1361,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2V7L,,,,,,,
,,,CTE:A:1361,valid,,,,,c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)O)N,
,,,HEM:A:1360,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6BCB,,,,,,,
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,GSP:F:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:F:203,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4LHW,,,,,,,
,,,GNP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:E:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:D:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:E:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,6STG,,,,,,,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,TRS:B:903,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,GNP:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4LHV,,,,,,,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,GDP:E:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6STF,,,,,,,
,,,GDP:C:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:E:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:C:902,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5ET3,,,,,,,
,,,60C:A:101,valid,,,,,c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23,
,,5HKN,,,,,,,
,,,60C:B:101,valid,,,,,c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23,
,,5HKR,,,,,,,
,,,60C:B:101,valid,,,,,c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23,
,Family. Representative Entry is ,5HDJ,,,,,,,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4DX5,,,,,,,
,,,C14:B:1109,invalid,,,,,CCCCCCCCCCCCCC,
,,,D10:A:1107,invalid,,,,,CCCCCCCCCC,
,,,D10:B:1105,invalid,,,,,CCCCCCCCCC,
,,,D10:B:1107,invalid,,,,,CCCCCCCCCC,
,,,D10:C:1107,invalid,,,,,CCCCCCCCCC,
,,,D10:C:1109,invalid,,,,,CCCCCCCCCC,
,,,D10:C:1120,invalid,,,,,CCCCCCCCCC,
,,,D12:A:1111,invalid,,,,,CCCCCCCCCCCC,
,,,D12:B:1106,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1104,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1108,invalid,,,,,CCCCCCCCCCCC,
,,,DD9:C:1111,invalid,,,,,CCCCCCCCC,
,,,GOL:A:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1110,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1113,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1115,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1116,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1117,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1114,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1115,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1117,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:201,invalid,,,,,C(C(CO)O)O,
,,,HEX:A:1108,invalid,,,,,CCCCCC,
,,,HEX:B:1108,invalid,,,,,CCCCCC,
,,,HEX:B:1112,invalid,,,,,CCCCCC,
,,,HEX:C:1110,invalid,,,,,CCCCCC,
,,,HEX:C:1113,invalid,,,,,CCCCCC,
,,,LMT:A:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1103,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1109,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1110,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1111,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:B:1114,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,MIY:B:1103,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,,OCT:A:1105,invalid,,,,,CCCCCCCC,
,,,OCT:A:1106,invalid,,,,,CCCCCCCC,
,,,OCT:C:1103,invalid,,,,,CCCCCCCC,
,,,OCT:C:1105,invalid,,,,,CCCCCCCC,
,,,OCT:C:1106,invalid,,,,,CCCCCCCC,
,,,OCT:C:1112,invalid,,,,,CCCCCCCC,
,,,OCT:C:1116,invalid,,,,,CCCCCCCC,
,,,SO4:C:1118,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UND:C:1119,invalid,,,,,CCCCCCCCCCC,
,,5JMN,,,,,,,
,,,PTY:C:1109,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:1107,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:C:1110,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:C:1111,invalid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,GOL:C:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1108,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1105,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1106,invalid,,,,,C(C(CO)O)O,
,,,OCT:C:1116,invalid,,,,,CCCCCCCC,
,,,OCT:B:1109,invalid,,,,,CCCCCCCC,
,,,LMT:A:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1103,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1105,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1103,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1103,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,D10:B:1112,invalid,,,,,CCCCCCCCCC,
,,,D10:B:1111,invalid,,,,,CCCCCCCCCC,
,,,P3G:B:1110,invalid,,,,,CCOCCOCCOCCOCCOCC,
,,,ETE:A:1108,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:C:1115,invalid,,,,,COCCOCCOCCOCCO,
,,,ETE:A:1107,invalid,,,,,COCCOCCOCCOCCO,
,,,SO4:A:1105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEX:A:1109,invalid,,,,,CCCCCC,
,,,HEX:C:1117,invalid,,,,,CCCCCC,
,,,D12:C:1112,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1114,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1113,invalid,,,,,CCCCCCCCCCCC,
,,,D12:B:1108,invalid,,,,,CCCCCCCCCCCC,
,,,FUA:C:1101,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:B:1101,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,,FUA:A:1101,valid,,,,,C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C,
,,4U8Y,,,,,,,
,,,LMT:B:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,MIY:B:1102,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,4U95,,,,,,,
,,,LMT:B:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,MIY:B:1102,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,4U8V,,,,,,,
,,,LMT:B:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,MIY:B:1103,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,4DX7,,,,,,,
,,,D10:A:1108,invalid,,,,,CCCCCCCCCC,
,,,D10:A:1109,invalid,,,,,CCCCCCCCCC,
,,,D10:B:1105,invalid,,,,,CCCCCCCCCC,
,,,D10:C:1104,invalid,,,,,CCCCCCCCCC,
,,,D12:A:1107,invalid,,,,,CCCCCCCCCCCC,
,,,D12:B:1109,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1102,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:1106,invalid,,,,,CCCCCCCCCCCC,
,,,DM2:A:1105,valid,,,,,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,DM2:A:1106,valid,,,,,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,DM2:B:1104,valid,,,,,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O,
,,,GOL:B:1106,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1107,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1103,invalid,,,,,C(C(CO)O)O,
,,,HEX:B:1108,invalid,,,,,CCCCCC,
,,,HEX:C:1105,invalid,,,,,CCCCCC,
,,,LMT:A:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1103,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:1104,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:B:1102,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:1101,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMU:B:1103,invalid,,,,,CCCCCCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,Family. Representative Entry is ,5GWE,,,,,,,
,,,GWM:D:502,valid,Kd,=,62,uM,Cc1ccc(cc1)OP(=O)(O)O,
,,,GWM:C:502,valid,Kd,=,62,uM,Cc1ccc(cc1)OP(=O)(O)O,
,,,GWM:A:502,valid,Kd,=,62,uM,Cc1ccc(cc1)OP(=O)(O)O,
,,,GWM:B:502,valid,Kd,=,62,uM,Cc1ccc(cc1)OP(=O)(O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3S6X,,,,,,,
,,,BGC GAL SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,3S6Z,,,,,,,
,,,GAL SIA SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,,,GAL SIA SIA:E:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,3CYY,,,,,,,
,,,ARG PRO ARG PRO ASP ASP LEU GLU ILE:C:1,valid,Kd,=,16.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCCNC(=[NH2+])N)CCC1)CC(=O)[O-])CC(=O)[O-])CC(C)C)CCC(=O)[O-])C(CC)C,
,,,ARG PRO ARG PRO ASP ASP LEU GLU ILE:D:1,valid,Kd,=,16.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C([NH3+])CCCNC(=[NH2+])N)CCC2)CCCNC(=[NH2+])N)CCC1)CC(=O)[O-])CC(=O)[O-])CC(C)C)CCC(=O)[O-])C(CC)C,
,Family. Representative Entry is ,6OQB,,,,,,,
,,,N0J:A:401,valid,Ki,=,0.00004,uM,CC[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O,
,,6UDI,,,,,,,
,,,Q4S:A:401,valid,ic50,=,0.3,nM,CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OC,
,,6QZ5,,,,,,,
,,,JLE:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5,
,,6QYP,,,,,,,
,,,JL5:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4cc(c(c(c4C)Cl)O)N5CCN(CC5)C,
,,6O6F,,,,,,,
,,,LOD:B:401,valid,ic50,=,0.04,uM,c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,,LOD:A:401,valid,ic50,=,0.04,uM,c1cc2c(cc1C(=O)O)N(C[C@@]3(CCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,6QZ6,,,,,,,
,,,JLE:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4cccc5c4cc[nH]5,
,,6UDX,,,,,,,
,,,Q57:B:401,valid,ic50,=,10,nM,c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,,Q57:A:401,valid,ic50,=,10,nM,c1cc2c(cc1[C@H](C(=O)O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,5IF4,,,,,,,
,,,6AK:A:400,valid,Ki,<,1,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl,
,,,6AK:B:400,valid,Ki,<,1,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(CCC4)c5cc(cc6c5ccn6C)C(=O)O)c7c(nn(c7C)C)C)Cl,
,,6U65,,,,,,,
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,ACT:C:403,invalid,,,,,CC(=O)[O-],
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,Q0A:D:401,valid,Ki,=,0.77,uM,c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F,
,,,Q0A:A:401,valid,Ki,=,0.77,uM,c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F,
,,,Q0A:C:401,valid,Ki,=,0.77,uM,c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F,
,,,Q0A:B:401,valid,Ki,=,0.77,uM,c1ccc(cc1)CCSc2ccc(c(c2)C(=O)O)NS(=O)(=O)N3CCN(CC3)Cc4ccc(cc4)F,
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,,6O6G,,,,,,,
,,,LOJ:A:401,valid,ic50,=,0.3,uM,c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3Cl)Cl)CC4CCC4,
,,6B4U,,,,,,,
,,,CN7:A:401,valid,Ki,=,21,nM,Cc1ccccc1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CCN6CCOCC6,
,,4WMR,,,,,,,
,,,ZN  POP:A:403,invalid,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,865:A:404,valid,,,,,Cc1ccnc(c1c2cccc3c2n(c(c3CCCOc4cccc5c4cccc5)C(=O)O)CC(=O)N6CCNCC6)n7ccnc7,
,,,POP:A:406,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,6OQD,,,,,,,
,,,N0M:A:401,valid,Ki,=,0.00014,uM,C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O,
,,6UDT,,,,,,,
,,,Q4V:A:401,valid,ic50,=,0.6,nM,CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)O)O)O,
,,6UD2,,,,,,,
,,,Q4D:A:401,valid,ic50,=,0.3,nM,CN1CC/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)[C@](CC1=O)(C(=O)NS(=O)(=O)N(C)C)O)OCCN7CC(C7)(F)F,
,,4OQ6,,,,,,,
,,,2UV:A:401,valid,ic50,=,3.3,uM,CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O,
,,,2UV:B:401,valid,ic50,=,3.3,uM,CCCc1ccc(cc1)c2ccc(c(c2)C(=O)O)O,
,,6NE5,,,,,,,
,,,KJP:A:400,valid,Ki,=,0.058,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl,
,,,KJP:C:400,valid,Ki,=,0.058,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl,
,,,KJP:B:400,valid,Ki,=,0.058,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl,
,,,KJP:D:400,valid,Ki,=,0.058,nM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3n4c2C(=O)N(C[C@H]4C)c5cn(c6c5cc(cc6)C(=O)O)C)c7c(nn(c7C)C)C)Cl,
,,6UDY,,,,,,,
,,,Q54:B:401,valid,ic50,=,27,nM,c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,,Q54:A:401,valid,ic50,=,27,nM,c1cc2c(cc1C(=O)O)N(C[C@@]3(CCCc4c3ccc(c4)Cl)CO2)CC5CCC5,
,,3WIY,,,,,,,
,,,LC6:A:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:D:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:B:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:C:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:F:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,,LC6:E:501,valid,ic50,=,0.61,uM,Cc1cc(ccc1c2cccc3n2nc(c3CCCOc4cccc5c4cccc5)C(=O)O)C(=O)NS(=O)(=O)c6ccc(c(c6)[N+](=O)[O-])N[C@H](CCN(C)C)CSc7ccccc7,
,,5VKC,,,,,,,
,,,ZN:A:402,Part of Protein,,,,,[Zn+2],
,,,ZN:B:403,Part of Protein,,,,,[Zn+2],
,,,ZN:B:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:403,invalid,,,,,[Zn+2],
,,,ZN:B:402,Part of Protein,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,9EA:A:401,valid,,,,,Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8,
,,,9EA:B:401,valid,,,,,Cc1c(c(nn1C)COc2ccc(cc2)N3CCN(CC3)C(=O)C)c4cccc5c4n(c(c5CCCOc6cccc7c6cccc7)C(=O)O)Cc8cccnc8,
,,6QZ8,,,,,,,
,,,JL8:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)O[C@H](Cc3ccccc3)C(=O)O)c4ccc(c(c4C)Cl)O,
,,6P3P,,,,,,,
,,,NQJ:A:501,valid,ic50,=,0.145,uM,Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)C(=O)N[C@H](Cc3ccccc3)C(=O)OC,
,,6U67,,,,,,,
,,,Q01:B:403,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,Q01:B:402,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,Q01:A:403,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,Q01:A:402,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,Q01:A:401,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,Q01:B:401,valid,Ki,=,0.95,uM,CC(C)(C)c1ccc(cc1)N2CCN(CC2)S(=O)(=O)Nc3ccc(cc3C(=O)O)SCCC(=O)Nc4ccccc4,
,,,BNL:B:404,valid,,,,,c1ccc(cc1)c2ccccc2,
,,,BNL:A:404,valid,,,,,c1ccc(cc1)c2ccccc2,
,,5FC4,,,,,,,
,,,5WL:A:401,valid,Ki,=,231,nM,CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4,
,,,5WL:A:402,valid,Ki,=,231,nM,CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4,
,,,5WK:A:403,valid,,,,,c1ccc(c(c1)c2cc([nH]n2)C(C(F)F)(F)F)O,
,,6QFQ,,,,,,,
,,,J3E:A:402,valid,,,,,Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O,
,,,J3E:A:401,valid,,,,,Cc1c(c(n[nH]1)C)c2cccc3c2[nH]c(c3CCCOc4cccc5c4cccc5)C(=O)O,
,,6OQC,,,,,,,
,,,N0S:B:501,valid,Ki,=,0.00005,uM,C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O,
,,,N0S:A:501,valid,Ki,=,0.00005,uM,C[C@@H]1CC/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O,
,,6YBG,,,,,,,
,,,OJT:B:401,valid,Ki,=,13,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O,
,,,OJT:A:401,valid,Ki,=,13,nM,Cc1c(ccc(c1Cl)OCCN2CCN(CC2)C)c3c4c(ncnc4sc3c5cccc(c5)Cl)O[C@H](Cc6ccccc6OC)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6OQN,,,,,,,
,,,N0P:A:401,valid,ic50,=,0.01,uM,c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2,
,,,N0P:B:401,valid,ic50,=,0.01,uM,c1cc2c3cc1C(=O)NS(=O)(=O)CCOCCCCCCN3C[C@@]4(CCc5c4ccc(c5)Cl)CO2,
,,6FS1,,,,,,,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,E4Q:B:403,valid,Kd,=,0.098,uM,Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O,
,,,E4Q:A:401,valid,Kd,=,0.098,uM,Cc1cc(nn1C)CSCc2c(c(n(n2)C)C)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)O,
,,3WIX,,,,,,,
,,,LC3:D:501,valid,ic50,=,0.54,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O,
,,,LC3:C:501,valid,ic50,=,0.54,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O,
,,,LC3:A:501,valid,ic50,=,0.54,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O,
,,,LC3:B:501,valid,ic50,=,0.54,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O,
,,6B4L,,,,,,,
,,,CJY:A:401,valid,Ki,=,0.34,uM,c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O,
,,,CJY:B:401,valid,Ki,=,0.34,uM,c1ccc2c(c1)cccc2OCCCc3c4ccccc4[nH]c3C(=O)O,
,,4HW3,,,,,,,
,,,19G:A:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:G:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:L:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:I:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:E:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:H:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:B:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:D:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:K:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:J:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:F:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,,19G:C:400,valid,Ki,=,0.32,uM,Cc1cc(cc(c1Cl)C)OCCCc2c3ccccc3sc2C(=O)O,
,,5KU9,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,6XJ:B:401,valid,ic50,=,1.49,uM,CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N,
,,,6XJ:A:402,valid,ic50,=,1.49,uM,CNC(=O)C[C@@H](Cc1ccc(c(c1)Cl)Cl)NC(=O)CN2c3ccccc3CC[C@@H](C2=O)NC(=O)C[C@H](Cc4ccc(cc4)Br)N,
,,4ZBI,,,,,,,
,,,4M6:C:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:A:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:F:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:L:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:E:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:B:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:G:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:J:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:I:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:K:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:H:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,,4M6:D:400,valid,Ki,=,0.31,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5,
,,6UDU,,,,,,,
,,,Q4Y:A:401,valid,ic50,=,1.7,nM,CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O,
,,6UDV,,,,,,,
,,,Q51:A:401,valid,Ki,=,0.051,nM,C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)O,
,,6QZB,,,,,,,
,,,JLK:A:401,valid,,,,,CCc1c(c2c(ncnc2s1)N[C@H](Cc3ccccc3)C(=O)O)c4ccccc4C,
,,4ZBF,,,,,,,
,,,4M7:I:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:C:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:J:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:L:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:A:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:G:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:B:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:H:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:D:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:F:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:E:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,,,4M7:K:400,valid,Ki,=,0.074,uM,c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCCS5=O,
,Family. Representative Entry is ,6V7G,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,CIT:A:503,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,BEZ:A:502,valid,,,,,c1ccc(cc1)C(=O)O,
,,6V7J,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,BEZ:A:501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:501,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,4FCH,,,,,,,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,Kd,=,134.2,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5YBN,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,5YBT,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8TC:B:303,valid,,,,,C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O,
,,,8TC:A:303,valid,,,,,C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O,
,,5YBP,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8SX:B:303,valid,,,,,C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C,
,,5YBQ,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8T0:B:303,valid,,,,,C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C,
,,,8T0:A:303,valid,,,,,C[C@]12CC[C@H]3[C@]([C@@H]1C[C@@]4(C(=C)[C@]2(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)(C=CC(=O)OC3(C)C)C,
,,5YBR,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8T9:A:303,valid,,,,,CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C,
,,,8T9:B:303,valid,,,,,CC1=C2C[C@@]3(C(=C)[C@]([C@]2(CC[C@@]14C=CC(=O)OC4(C)C)C)(C(=O)[C@@](C3=O)(C)O)C(=O)OC)C,
,,5YBO,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8SX:B:303,valid,,,,,C[C@@]12CCC(=O)OC([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C,
,,5YBS,,,,,,,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,8TC:B:303,valid,,,,,C[C@@]12CC[C@H](C([C@H]1CC[C@]3([C@H]2C[C@@]4(C(=C)[C@]3(C(=O)[C@@](C4=O)(C)O)C(=O)OC)C)C)(C)C)O,
,Family. Representative Entry is ,4YRD,,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,3IT:B:402,valid,Kd,=,27,uM,CC(=C)C1=C(C(=O)C=CC=C1)O,
,,,3IT:A:402,valid,Kd,=,27,uM,CC(=C)C1=C(C(=O)C=CC=C1)O,
,Family. Representative Entry is ,5R8Q,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JGY:A:203,valid,,,,,Cn1ccc(n1)C(=O)NC[C@@H]2CCCO2,
,,5R8J,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8D:A:203,valid,,,,,CCNC(=O)CN1C[C@H](OC[C@@H]1C)C,
,,5R85,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S7A:A:203,valid,,,,,C1CN(CCN1)C(=O)CC(F)(F)F,
,,5R8C,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,M25:A:203,valid,,,,,CC(=O)NCCc1ccc(cc1)S(=O)(=O)N,
,,5R8N,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8J:A:203,valid,,,,,CCOc1cccc(c1)C(=O)Nc2nnn(n2)C,
,,5R8D,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S7J:A:203,valid,,,,,c1c(cnc(n1)C(F)(F)F)C(=O)N,
,,5R8O,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8P:A:203,valid,,,,,Cc1cc(ns1)C(=O)NC[C@@H]2CCCO2,
,,5R8A,,,,,,,
,,,S7G:A:203,valid,,,,,CC(=O)N[C@@H]1Cc2ccccc2NC1,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R8B,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K34:A:204,valid,,,,,c1csc(n1)c2[nH]ncn2,
,,,K34:A:203,valid,,,,,c1csc(n1)c2[nH]ncn2,
,,5R8I,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A7N:A:203,valid,,,,,CCOc1ccc(cc1)[C@@H](C)N,
,,5R8H,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T91:A:203,valid,,,,,CC(C)(C)C(=O)NCCc1[nH]c2ccccc2n1,
,,5R8M,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8G:A:203,valid,,,,,C1C[C@H](CN(C1)C(=O)CCC(F)(F)F)N,
,,5R89,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S7D:A:203,valid,,,,,C[C@H]1CN(CCO1)C(=O)Cn2cccn2,
,,5R8E,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S7S:A:203,valid,,,,,CCCC(=O)Nc1nnn(n1)CC,
,,5R8G,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S7V:A:203,valid,,,,,c1ccc(cc1)CN2CCO[C@H](C2)CO,
,,5R8K,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8D:A:203,valid,,,,,CCNC(=O)CN1C[C@H](OC[C@@H]1C)C,
,,5R8F,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K3Y:A:203,valid,,,,,Cn1cc(c(n1)[C@@H]2CCCNC2)C(=O)N,
,,5R8L,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NY4:A:203,valid,,,,,C[C@@H](c1ccc(cc1)NC(=O)C2CC2)N,
,,5R88,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LWA:A:203,valid,,,,,c1cc(ccc1C(=O)N)NC(=O)[C@@H]2CCCO2,
,,5R86,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GT4:A:203,valid,,,,,COCC(=O)Nc1ccc(cc1)O,
,,5R8P,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,S8V:A:203,valid,,,,,C1COC[C@@H]1CNC2CC2,
,,5R87,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,K0G:A:203,valid,,,,,c1ccc(cc1)NC(=O)Nc2cccnc2,
,Family. Representative Entry is ,4GU5,,,,,,,
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,4JZY,,,,,,,
,,,NH4:B:603,invalid,,,,,[NH4+],
,,,NH4:A:602,invalid,,,,,[NH4+],
,,,NA:B:602,Part of Protein,,,,,[Na+],
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2Y7G,,,,,,,
,,,AAE:A:1276,valid,,,,,CC(=O)CC(=O)O,
,,,AAE:B:1276,valid,,,,,CC(=O)CC(=O)O,
,,,GOL:A:1277,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1278,invalid,,,,,[Mg+2],
,,,MG:A:1279,invalid,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,2Y7F,,,,,,,
,,,KMH:A:1276,valid,,,,,C[C@@H](CC(=O)CC(=O)O)N,
,,,KMH:B:1276,valid,,,,,C[C@@H](CC(=O)CC(=O)O)N,
,,,KMH:C:1276,valid,,,,,C[C@@H](CC(=O)CC(=O)O)N,
,,,KMH:D:1276,valid,,,,,C[C@@H](CC(=O)CC(=O)O)N,
,,,MG:D:1277,Part of Protein,,,,,[Mg+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,,ZN:D:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2YCH,,,,,,,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4C69,,,,,,,
,,,MC3:X:1285,invalid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,MC3:X:1288,invalid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,LDA:X:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:X:1286,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:X:1289,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:X:1292,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:X:1291,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:X:1290,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,ATP:X:1287,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4FAJ,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,LEU VAL THR LEU VAL PHE VAL:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)Cc1ccccc1)C(C)C)CC(C)C)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)C(C)C)C(O)C,
,,,ZN:A:603,Part of Protein,,,,,[Zn+2],
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,ZN:A:605,Part of Protein,,,,,[Zn+2],
,,,ZN:A:606,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6GMR,,,,,,,
,,,F4K:V:301,valid,,,,,c1ccn(c1)c2ccc(cc2)CO,
,,,GOL:V:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6V2F,,,,,,,
,,,QNG:B:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:F:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:C:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:D:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:A:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:E:300,valid,Kd,=,240,pM,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,4QNB,,,,,,,
,,,1B0:A:301,valid,Kd,=,0.26,uM,Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4,
,,5HGM,,,,,,,
,,,DTP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,6H09,,,,,,,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,4XRQ,,,,,,,
,,,1B0:A:301,valid,Kd,=,0.232,uM,Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4,
,,6ES8,,,,,,,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,5HGP,,,,,,,
,,,BHC:A:301,valid,,,,,c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O,
,,6VKV,,,,,,,
,,,IOD:A:304,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,IOD:C:302,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,QNG:A:301,valid,,,,,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:C:301,valid,,,,,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,QNG:B:301,valid,,,,,CC(C)(C#Cc1ccc(c(n1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c7c6n(nc7NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:C:308,invalid,,,,,[Cl-],
,,,CL:C:305,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:C:306,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:C:307,invalid,,,,,[Cl-],
,,4U0E,,,,,,,
,,,1B0:A:302,valid,Kd,=,0.12,uM,Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4,
,,,CL:A:301,invalid,,,,,[Cl-],
,,4U0F,,,,,,,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,3A8:A:302,valid,Kd,=,1.2,uM,c1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4ccc(cc4)O,
,,6BHS,,,,,,,
,,,IHP:A:301,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3LJU,,,,,,,
,,,IP9:X:371,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC,
,,,IP9:X:372,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCC,
,,,ZN:X:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5JWM,,,,,,,
,,,6ON:A:501,valid,ic50,=,3.09,nM,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C[C@H]4c5nnc(n5-c6c(c(c(s6)C)C)C(=N4)c7ccc(cc7)Cl)C)c8ccc(cc8)Cl)C,
,,6C7Q,,,,,,,
,,,EO1:A:501,valid,,,,,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c([nH]3)nc(nc4Nc5c6ccccc6n(n5)C)C,
,,2YEM,,,,,,,
,,,WSH:A:1459,valid,ic50,=,15.5,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,,WSH:B:1460,valid,ic50,=,15.5,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,5UOO,,,,,,,
,,,8FV:A:501,valid,Ki,=,1.4,nM,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(nc(nc4[nH]3)C)c5ccnc6c5cccc6,
,Family. Representative Entry is ,5W3X,,,,,,,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ZN:D:1301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1301,Part of Protein,,,,,[Zn+2],
,,,ACO:C:502,invalid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:502,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3EZ2,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:509,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EPE:B:3022,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:B:445,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:545,invalid,,,,,C(C(CO)O)O,
,,,MG:A:399,Part of Protein,,,,,[Mg+2],
,,,MG:B:399,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3AJ6,,,,,,,
,,,NGA:B:2000,valid,Kd,=,51.5,nM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,3AH2,,,,,,,
,,,NGA:B:2000,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,3AJ5,,,,,,,
,,,NGA:A:2000,valid,Kd,=,29.9,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:2000,valid,Kd,=,29.9,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,3AH1,,,,,,,
,,,SLB:A:2000,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:A:2002,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SLB:B:2001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,3AH4,,,,,,,
,,,GAL:B:2000,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:2001,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5XNZ,,,,,,,
,,,FUM:A:502,valid,,,,,C(=C/C(=O)O)C(=O)O,
,,,FUM:A:501,valid,,,,,C(=C/C(=O)O)C(=O)O,
,Family. Representative Entry is ,3VYW,,,,,,,
,,,BEN:B:402,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:402,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:401,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3B50,,,,,,,
,,,SLB:A:311,valid,Kd,=,28,nM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6H75,,,,,,,
,,,SLB:A:401,valid,Kd,=,42,uM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6H76,,,,,,,
,,,CS:A:404,invalid,,,,,[Cs+],
,,,CS:A:405,invalid,,,,,[Cs+],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,SLB:A:401,valid,Kd,=,0.03,uM,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,2CEX,,,,,,,
,,,DAN:B:1307,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,GOL:B:1308,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1309,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1306,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1306,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1310,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1311,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1306,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1307,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1307,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3T7K,,,,,,,
,,,ALA THR LYS ALA SEP GLN GLU LEU:C:128,valid,,,,,P(=O)(OCC(NC(=O)C(N)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CCC(=O)[O-])C)([O-])[O-],
,,,ALA THR LYS ALA SEP GLN GLU LEU:D:128,valid,,,,,P(=O)(OCC(NC(=O)C(N)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CCC(=O)[O-])C)([O-])[O-],
,Family. Representative Entry is ,6SUG,,,,,,,
,,,LVB:B:201,valid,,,,,Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O,
,,,LVB:A:201,valid,,,,,Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])O,
,,4PWI,,,,,,,
,,,ROA:A:201,valid,,,,,c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O,
,,,ROA:B:201,valid,,,,,c1cc(c(cc1C[C@H](C(=O)O)OC(=O)/C=C/c2ccc(c(c2)O)O)O)O,
,,6IMY,,,,,,,
,,,AJU:A:201,valid,,,,,c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2,
,,,AJU:B:201,valid,,,,,c1cc2c(cc1C(=O)O)OCCOCCOCCOCCOCCO2,
,,4PWF,,,,,,,
,,,PWF:A:201,valid,,,,,COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2,
,,,PWF:B:201,valid,,,,,COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2,
,,6R66,,,,,,,
,,,JTN:B:201,valid,,,,,c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl,
,,,JTN:A:201,valid,,,,,c1cc(c(cc1C2(CC2)C(=O)O)F)c3cc(cc(c3)Cl)Cl,
,,4PWK,,,,,,,
,,,PWK:A:201,valid,,,,,C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O,
,,,PWK:B:201,valid,,,,,C[C@H](Cc1ccc(c(c1)OC)O)[C@H](C)Cc2ccc(c(c2)OC)O,
,,6R67,,,,,,,
,,,JTE:B:201,valid,,,,,Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C,
,,,JTE:A:201,valid,,,,,Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C,
,,4Y9F,,,,,,,
,,,MKT:B:200,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C,
,,,MKT:A:201,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)O)O)O2)O)C,
,,,BR:A:205,invalid,,,,,[Br-],
,,,BR:B:202,invalid,,,,,[Br-],
,,,BR:B:201,invalid,,,,,[Br-],
,,,BR:A:204,invalid,,,,,[Br-],
,,,BR:A:202,invalid,,,,,[Br-],
,,,BR:B:203,invalid,,,,,[Br-],
,,,BR:A:206,invalid,,,,,[Br-],
,,,BR:A:203,invalid,,,,,[Br-],
,,6SUH,,,,,,,
,,,LVE:A:201,valid,,,,,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-],
,,,LVE:B:201,valid,,,,,Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-],
,,4PWJ,,,,,,,
,,,30Z:A:201,valid,,,,,C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O,
,,,30Z:B:201,valid,,,,,C[C@@H](Cc1ccc(c(c1)O)O)[C@@H](C)Cc2ccc(c(c2)O)O,
,,4Y9C,,,,,,,
,,,BR:A:205,invalid,,,,,[Br-],
,,,BR:A:204,invalid,,,,,[Br-],
,,,BR:B:201,invalid,,,,,[Br-],
,,,BR:A:202,invalid,,,,,[Br-],
,,,BR:B:203,invalid,,,,,[Br-],
,,,BR:A:203,invalid,,,,,[Br-],
,,,MKS:B:202,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C,
,,,MKS:A:201,valid,,,,,CC(=CCc1c(cc2c(c1O)C(=O)c3c(cc(c(c3CC=C(C)C)OC)O)O2)O)C,
,,4Y9G,,,,,,,
,,,MKU:A:201,valid,,,,,CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C,
,,,MKU:B:201,valid,,,,,CC(=CCc1c2c(cc(c1OC)O)Oc3cc4c(c(c3C2=O)O)CCC(O4)(C)C)C,
,,4N86,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,GBJ:B:201,valid,,,,,CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C,
,,,GBJ:A:201,valid,,,,,CC1(C=Cc2c(ccc3c2OC[C@H](C3)c4ccc(cc4O)O)O1)C,
,,4PWG,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,0XR:B:201,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)O)O,
,,,0XR:A:201,valid,,,,,CCOC(=O)/C=C/c1ccc(c(c1)O)O,
,Family. Representative Entry is ,2XVM,,,,,,,
,,,SAH:A:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2XVA,,,,,,,
,,,SFG:A:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:C:1197,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:D:1198,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:B:1199,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1198,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1199,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2PFZ,,,,,,,
,,,PCA:A:1,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,Family. Representative Entry is ,5VNB,,,,,,,
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,ALA THR ALY ALA ALA ARG ALY SER ALA PRO:K:21,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C)CO)CCCCNC(=O)C)CCCNC(=[NH2+])N)C)C)CCCCNC(=O)C)C(NC(=O)C([NH3+])C)C(O)C,
,Family. Representative Entry is ,2ALG,,,,,,,
,,,DAO:A:202,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:201,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,HP6:A:204,valid,,,,,CCCCCCC,
,,,P6G:B:203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2B5S,,,,,,,
,,,DAO:A:202,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:201,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,HP6:A:204,valid,,,,,CCCCCCC,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2R0D,,,,,,,
,,,4IP:A:402,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:400,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:B:401,invalid,,,,,C(COCCO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5E58,,,,,,,
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CPZ:C:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:A:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:E:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:E:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:F:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:A:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:B:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:C:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:F:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:B:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:D:503,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,CPZ:D:502,valid,Kd,=,2.3,uM,c1cc(ccc1c2cnc[nH]2)Cl,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,CM5:E:504,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,CM5:A:505,invalid,,,,,C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,GLC FRU:G:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,5D4V,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SO4:C:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,YGP:B:307,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,,YGP:C:308,valid,,,,,CC1=CC(=C(C(=O)N1)C)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O,
,,5D4U,,,,,,,
,,,SAM:C:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3N5B,,,,,,,
,,,ADP:A:113,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:B:93,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:94,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1P1M,,,,,,,
,,,MET:A:5001,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,NI:A:9001,Part of Protein,,,,,[Ni+2],
,,2PLM,,,,,,,
,,,SIB:A:408,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N=CNC2=O,
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4ZBA,,,,,,,
,,,ACT:D:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,GDS:D:301,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:A:300,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:C:300,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:B:300,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CL:B:301,invalid,,,,,[Cl-],
,,,CL:D:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:C:301,invalid,,,,,[Cl-],
,,4ZBB,,,,,,,
,,,GDN:D:300,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:C:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:A:300,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:300,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:C:300,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:A:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:B:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,GDN:D:301,valid,,,,,c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,,ACT:C:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:303,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:306,invalid,,,,,CC(=O)[O-],
,,,ACT:D:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:D:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,CL:D:303,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:C:305,invalid,,,,,[Cl-],
,,4ZB9,,,,,,,
,,,GDS:D:300,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:A:300,valid,Kd,=,3.09,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CL:C:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5DJU,,,,,,,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:C:603,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,FMN:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2WOR,,,,,,,
,,,2AN:A:1098,valid,Kd,=,125,uM,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,CA:A:1097,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1099,Part of Protein,,,,,[Zn+2],
,,2WOS,,,,,,,
,,,6AN:A:1098,valid,,,,,c1cc(cc2c1cc(cc2)S(=O)(=O)O)N=C3C=CCC=C3,
,,,CA:A:1097,Part of Protein,,,,,[Ca+2],
,,,ZN:A:1099,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4GBD,,,,,,,
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,MCF:B:501,valid,Ki,=,0.0048,nM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O,
,,,MCF:A:501,valid,Ki,=,0.0048,nM,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2N=CNC[C@H]3O)O)O,
,Family. Representative Entry is ,3U6B,,,,,,,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5EQ0,,,,,,,
,,,UNX:A:106,invalid,,,,,*,
,,,UNX:A:109,invalid,,,,,*,
,,,UNX:A:105,invalid,,,,,*,
,,,UNX:A:104,invalid,,,,,*,
,,,UNX:A:103,invalid,,,,,*,
,,,UNX:A:108,invalid,,,,,*,
,,,UNX:A:102,invalid,,,,,*,
,,,UNX:A:110,invalid,,,,,*,
,,,UNX:A:107,invalid,,,,,*,
,,,UNX:B:101,invalid,,,,,*,
,,,UNX:A:111,invalid,,,,,*,
,,,UNX:A:101,invalid,,,,,*,
,,,5R0 PHE ALA LEU ELY 5R5:B:0,valid,Kd,=,1.2,uM,O=C(OC)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1)C)CC(C)C)CCCC[NH+](CC)CC)CO,
,,3I91,,,,,,,
,,,GLN THR ALA ARG M3L SER THR GLY:C:5,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)C(O)C)CO)CCCC[N+](C)(C)C)CCCNC(=[NH2+])N)C)C(NC(=O)C([NH3+])CCC(=O)N)C(O)C,
,Family. Representative Entry is ,6CCU,,,,,,,
,,,UNX:A:403,invalid,,,,,*,
,,,UNX:A:405,invalid,,,,,*,
,,,UNX:A:402,invalid,,,,,*,
,,,UNX:A:401,invalid,,,,,*,
,,,UNX:A:404,invalid,,,,,*,
,,,PRO HIS ARG VAL:B:1,valid,Kd,=,35.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1nc[nH]c1)CCC)C(C)C,
,Family. Representative Entry is ,5LGD,,,,,,,
,,,NAG:A:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TRS:A:518,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:802,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,PLM:A:512,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:513,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,GOL:A:516,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:801,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:515,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG MAN:C:1,invalid,,,,,,
,Family. Representative Entry is ,4J73,,,,,,,
,,,PHE GLU ALA LYS LYS LEU VAL:B:-3,valid,,,,,,
,,4J84,,,,,,,
,,,ALA ARG LYS LEU ASP:D:7,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])CC(C)C)CC(=O)[O-],
,,,ALA ARG LYS LEU ASP:C:6,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH3+])CC(C)C)CC(=O)[O-],
,,4J77,,,,,,,
,,,ALA LYS GLU LYS SER ASP:D:0,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCC[NH3+])CCC(=O)[O-])CCCC[NH3+])CO)CC(=O)[O-],
,,,ALA LYS GLU LYS SER ASP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCC[NH3+])CCC(=O)[O-])CCCC[NH3+])CO)CC(=O)[O-],
,,4J79,,,,,,,
,,,GLU LYS VAL HIS VAL GLN:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CCCC[NH3+])C(C)C)Cc1nc[nH]c1)C(C)C)CCC(=O)N,
,,2YNO,,,,,,,
,,,ALA ALA ALA ALA ALA:P:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C)C([NH3+])C,
,,4J81,,,,,,,
,,,LYS PRO HIS SER ASP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)Cc1nc[nH]c1)CO)CC(=O)[O-],
,,,LYS PRO HIS SER ASP:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CCCC[NH3+])CCC1)Cc1nc[nH]c1)CO)CC(=O)[O-],
,,2YNN,,,,,,,
,,,CYS THR PHE LYS THR LYS THR ASN:P:1,valid,,,,,SCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)N)C(O)C)CCCC[NH3+])C(O)C)CCCC[NH3+])Cc1ccccc1)C(O)C,
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4J78,,,,,,,
,,,LYS THR LYS LEU LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])C(O)C)CCCC[NH3+])CC(C)C)CC(C)C,
,,4J82,,,,,,,
,,,LYS SER HIS GLN GLU:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)Cc1nc[nH]c1)CCC(=O)N)CCC(=O)[O-],
,,,LYS SER HIS GLN GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCC[NH3+])CO)Cc1nc[nH]c1)CCC(=O)N)CCC(=O)[O-],
,,4J86,,,,,,,
,,,THR PHE LYS LYS THR ASN:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1)CCCC[NH3+])CCCC[NH3+])C(O)C)CC(=O)N,
,,,THR PHE LYS LYS THR ASN:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1)CCCC[NH3+])CCCC[NH3+])C(O)C)CC(=O)N,
,Family. Representative Entry is ,1TUV,,,,,,,
,,,VK3:A:4558,valid,,,,,CC1=CC(=O)c2ccccc2C1=O,
,Family. Representative Entry is ,5IRR,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,GSP:B:402,valid,Kd,=,5.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:402,valid,Kd,=,5.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5N2F,,,,,,,
,,,8HW:B:201,valid,ic50,=,80,nM,Cc1c(cccc1c2ccc3c(c2)OCCO3)COc4cc(c(cc4F)CNCC(=O)CC(=O)O)F,
,Family. Representative Entry is ,1YOA,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5DUS,,,,,,,
,,,APR:A:201,valid,Kd,=,2.95,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5YRG,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:D:1,valid,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,2G30,,,,,,,
,,,ALA ALA PHE:S:6,valid,,,,,O=C(NC(C(=O)NC(C=O)Cc1ccccc1)C)C([NH3+])C,
,Family. Representative Entry is ,2C5S,,,,,,,
,,,AMP:A:1392,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2XQO,,,,,,,
,,,CA:A:1246,Part of Protein,,,,,[Ca+2],
,,,GLC BGC BGC:C:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:B:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,Family. Representative Entry is ,5A9A,,,,,,,
,,,UTP:A:1245,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,2WZG,,,,,,,
,,,MG:A:1524,invalid,,,,,[Mg+2],
,,,UPG:A:1525,valid,Kd,=,100,nM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3JSZ,,,,,,,
,,,MG:A:527,invalid,,,,,[Mg+2],
,,,UPG:A:526,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,3JT1,,,,,,,
,,,UDP:A:526,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5XJN,,,,,,,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,88L:A:501,valid,,,,,CCc1ccc(cc1)OP(=O)(O)O,
,Family. Representative Entry is ,5FH7,,,,,,,
,,,5XL:A:803,valid,Kd,=,137,nM,CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,,5XL:B:801,valid,Kd,=,137,nM,CN(C)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,5II1,,,,,,,
,,,6BL:A:801,valid,,,,,Cc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,6BL:B:801,valid,,,,,Cc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,5HRV,,,,,,,
,,,64C:A:801,valid,,,,,CCc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,3MB4,,,,,,,
,,,CL:A:735,invalid,,,,,[Cl-],
,,,CL:B:3,invalid,,,,,[Cl-],
,,,CL:B:735,invalid,,,,,[Cl-],
,,,CL:B:736,invalid,,,,,[Cl-],
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,MB3:A:2,valid,,,,,CN1CCCC1=O,
,,,MB3:B:1,valid,,,,,CN1CCCC1=O,
,,5FH6,,,,,,,
,,,5XM:D:801,valid,,,,,c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4,
,,,5XM:C:801,valid,,,,,c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4,
,,,5XM:B:801,valid,,,,,c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4,
,,,5XM:A:801,valid,,,,,c1ccc2c(c1)C(=O)N=C3N2CC[C@@H]3CN4CCCCC4,
,,5II2,,,,,,,
,,,CIT:A:802,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,K:B:801,Part of Protein,,,,,[K+],
,,,K:A:801,Part of Protein,,,,,[K+],
,,,LU2:B:802,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,,LU2:A:803,valid,,,,,c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O,
,,5FH8,,,,,,,
,,,EDO:D:802,invalid,,,,,C(CO)O,
,,,DMS:A:802,invalid,,,,,CS(=O)C,
,,,5XK:D:801,valid,Kd,=,170,nM,CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,,5XK:A:801,valid,Kd,=,170,nM,CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,,5XK:B:801,valid,Kd,=,170,nM,CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,,5XK:C:801,valid,Kd,=,170,nM,CCC(CC)Cc1ccn-2c1NC(=O)c3c2cccc3Cl,
,,5IID,,,,,,,
,,,6BK:B:801,valid,,,,,c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O,
,,,6BK:A:801,valid,,,,,c1cc(c2c(c1)OC(=CC2=O)c3ccc(c(c3)O)O)O,
,,5HRW,,,,,,,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,EDO:A:804,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,64E:B:801,valid,,,,,CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,64E:A:801,valid,,,,,CCCc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,SO4:A:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5HRX,,,,,,,
,,,64F:B:801,valid,,,,,CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,64F:A:803,valid,,,,,CCCCc1c-2c([nH]n1)OC(=O)c3c2cccc3,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3VIV,,,,,,,
,,,ASN VAL ILE VAL LEU MET LEU PRO MET GLU:C:234,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)C(C)C)C(CC)C)C(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C=O)CCC1)CC(C)C)C,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:303,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:302,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,5V87,,,,,,,
,,,MGT:A:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,91P:B:1001,valid,,,,,Cn1c[n+](c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)O)O,
,,5V4R,,,,,,,
,,,MGT:A:1001,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,6PW3,,,,,,,
,,,GTG:B:1001,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GTG:C:1001,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4OJF,,,,,,,
,,,ASP ALA GLU PHE ARG HIS ASP SER:A:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)CCCNC(=[NH2+])N)Cc1ccccc1)CCC(=O)[O-])C)C([NH3+])CC(=O)[O-],
,Family. Representative Entry is ,2WBW,,,,,,,
,,,CA:B:1139,Part of Protein,,,,,[Ca+2],
,,,SIA:A:1366,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,4CO3,,,,,,,
,,,ATP:A:113,valid,Kd,=,2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:113,valid,Kd,=,2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CO0,,,,,,,
,,,ADP:B:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,TLA:B:1113,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,4CO4,,,,,,,
,,,ATP:A:120,valid,Kd,=,2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:120,valid,Kd,=,2,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:1110,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1109,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1111,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AMP:C:120,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3MHY,,,,,,,
,,,AKG:A:114,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:114,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:114,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ATP:A:113,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:113,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:113,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MES:B:116,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:A:115,Part of Protein,,,,,[Mg+2],
,,,MG:A:116,Part of Protein,,,,,[Mg+2],
,,,MG:B:115,Part of Protein,,,,,[Mg+2],
,,,MG:C:115,Part of Protein,,,,,[Mg+2],
,,,PG6:A:118,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:B:117,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,,PG6:B:118,invalid,,,,,COCCOCCOCCOCCOCCOC,
,,4CO2,,,,,,,
,,,ADP:B:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PG4:B:114,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:114,invalid,,,,,C(COCCOCCOCCO)O,
,,4CO1,,,,,,,
,,,ADP:B:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CNZ,,,,,,,
,,,ADP:C:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:1113,valid,Kd,=,20,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4HCZ,,,,,,,
,,,SER THR GLY GLY VAL M3L LYS PRO HIS ARG:C:31,valid,Kd,=,36,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc2nc[nH]c2)CCC1)CCCC[NH3+])CCCC[N+](C)(C)C)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])CO)C(O)C)C(C)C,
,,,SER THR GLY GLY VAL M3L LYS PRO HIS ARG:D:34,valid,Kd,=,36,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc2nc[nH]c2)CCC1)CCCC[NH3+])CCCC[N+](C)(C)C)C(NC(=O)CNC(=O)CNC(=O)C(NC(=O)C([NH3+])CO)C(O)C)C(C)C,
,Family. Representative Entry is ,4K2M,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,ACT:B:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,,,O1G:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O,
,,,O1G:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O)COP(=O)(O)O)O)O,
,,4K2I,,,,,,,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,ACT:A:509,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,ACT:B:503,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6EOM,,,,,,,
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,ALA LYS:A:605,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCCC[NH3+],
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,CL:A:602,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3HNB,,,,,,,
,,,768:M:1,valid,,,,,[H]/N=C/1N(c2ccccc2N1C[C@H](COc3ccc(cc3Cl)Cl)O)CCN4CCCCC4,
,Family. Representative Entry is ,3LLZ,,,,,,,
,,,NGA GAL:C:1,valid,Kd,=,16,uM,,
,,3LM1,,,,,,,
,,,LEC:A:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:C:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:E:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:G:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:I:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:K:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,,,LEC:M:134,valid,Kd,=,20,uM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O,
,Family. Representative Entry is ,3L41,,,,,,,
,,,LYS PRO SEP GLN GLU LEU:B:127,valid,,,,,P(=O)(OCC(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,Family. Representative Entry is ,2WTN,,,,,,,
,,,FER:A:1250,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,FER:B:1249,valid,,,,,COc1cc(ccc1O)C=CC(=O)O,
,,,GOL:A:1249,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1250,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1252,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1253,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3VKC,,,,,,,
,,,FPQ:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,FPQ:B:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,POP:B:800,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,3VK5,,,,,,,
,,,FPQ:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,FPQ:B:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,MG:B:800,Part of Protein,,,,,[Mg+2],
,,3VKB,,,,,,,
,,,CL:A:750,invalid,,,,,[Cl-],
,,,CL:A:752,invalid,,,,,[Cl-],
,,,CL:B:751,invalid,,,,,[Cl-],
,,,FPS:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,FPS:B:900,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,POP:A:800,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:800,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,3VKA,,,,,,,
,,,FPQ:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,FPQ:B:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,3VKD,,,,,,,
,,,FPQ:A:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,FPQ:B:900,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO[C@H](COP(=O)(O)O)C(=O)O)/C)/C)C,
,,,MG:A:800,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,Part of Protein,,,,,[Mg+2],
,,,PO4:B:802,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4IAW,,,,,,,
,,,YT3:B:202,invalid,,,,,[Y+3],
,,,YT3:A:202,invalid,,,,,[Y+3],
,,,YT3:C:202,invalid,,,,,[Y+3],
,,,LIZ:C:201,valid,Kd,=,0.234,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,,LIZ:A:201,valid,Kd,=,0.234,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,,LIZ:B:201,valid,Kd,=,0.234,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,4IAX,,,,,,,
,,,LIZ:A:201,valid,Kd,=,0.273,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,,YT3:A:202,invalid,,,,,[Y+3],
,,3DSZ,,,,,,,
,,,LIZ:A:187,valid,Kd,=,17.1,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,,LIZ:B:187,valid,Kd,=,17.1,nM,c1cc(ccc1C[C@H](C[N@](CC(=O)O)[C@H]2CCCC[C@@H]2N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NC(CO)(CO)CO,
,,,YT3:A:188,invalid,,,,,[Y+3],
,,,YT3:B:188,invalid,,,,,[Y+3],
,Family. Representative Entry is ,2J6O,,,,,,,
,,,LYS GLY PRO PRO LEU PRO ARG PRO ARG VAL:C:327,valid,Kd,~,100,uM,O=C(NC(C=O)C(C)C)C(NC(=O)C1N(C(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C3[NH2+]CCC3)CC(C)C)CCC2)CCCNC(=[NH2+])N)CCC1)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,6PY0,,,,,,,
,,,RTL:C:201,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C,
,Family. Representative Entry is ,4JKV,,,,,,,
,,,OLC:B:602,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:603,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:603,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:602,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:604,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,PEG:B:605,invalid,,,,,C(COCCO)O,
,,,1KS:A:601,valid,,,,,Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F,
,,,1KS:B:601,valid,,,,,Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F,
,,,OLA:B:604,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:606,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:605,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,PGE:A:608,invalid,,,,,C(COCCOCCO)O,
,,,PG4:A:609,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,4DS0,,,,,,,
,,,NAG GAL FUC A2G:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,4DRV,,,,,,,
,,,GLA FUC A2G:B:1,valid,,,,,,
,Family. Representative Entry is ,4M7T,,,,,,,
,,,25W:A:504,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)N,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5WXK,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BME:A:407,invalid,,,,,C(CS)O,
,,,BME:A:408,invalid,,,,,C(CS)O,
,,,BME:A:406,invalid,,,,,C(CS)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,NI:A:410,Part of Protein,,,,,[Ni+2],
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4X9X,,,,,,,
,,,OLA:A:301,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2NU5,,,,,,,
,,,NAG:A:122,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:123,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:124,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:122,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:123,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:124,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:9001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:9003,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5LKC,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:603,invalid,,,,,[Mg+2],
,,,GLA FUC A2G:C:1,valid,ic50,=,13,mM,,
,,,GLA FUC A2G:D:1,valid,ic50,=,13,mM,,
,,,GLA FUC A2G:D:1,valid,ic50,=,13,mM,,
,,5LKG,,,,,,,
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,GLC GAL FUC:C:1,valid,,,,,,
,Family. Representative Entry is ,2NV4,,,,,,,
,,,ACT:A:148,invalid,,,,,CC(=O)[O-],
,,,SAM:A:201,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:202,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6RVZ,,,,,,,
,,,K:A:606,Part of Protein,,,,,[K+],
,,,K:A:604,invalid,,,,,[K+],
,,,K:A:605,invalid,,,,,[K+],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,KL2:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[V](O4)(O)(O)O)N,
,,,ADN:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,6HQQ,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3DM:A:502,valid,Kd,=,1.7,uM,COc1cccc(c1O)OC,
,,5OMS,,,,,,,
,,,261:A:502,valid,,,,,CCOc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5OMR,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,V55:A:502,valid,,,,,COc1cc(ccc1O)C=O,
,,6HQN,,,,,,,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6HQM,,,,,,,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6HQS,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3DM:A:502,valid,,,,,COc1cccc(c1O)OC,
,,6HQL,,,,,,,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6HQP,,,,,,,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6HQK,,,,,,,
,,,JZ3:A:502,valid,Kd,=,7.1,uM,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,5OMU,,,,,,,
,,,3DM:A:502,valid,,,,,COc1cccc(c1O)OC,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6HQR,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3DM:A:502,valid,,,,,COc1cccc(c1O)OC,
,,5NCB,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,6HQT,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,3DM:A:502,valid,,,,,COc1cccc(c1O)OC,
,,6HQO,,,,,,,
,,,JZ3:A:502,valid,,,,,COc1ccccc1O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,3FXU,,,,,,,
,,,CL:A:5002,invalid,,,,,[Cl-],
,,,CL:B:5001,invalid,,,,,[Cl-],
,,,CL:B:5003,invalid,,,,,[Cl-],
,,,FMT:B:4001,invalid,,,,,C(=O)O,
,,,GOL:A:3001,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:3004,invalid,,,,,C(C(CO)O)O,
,,,IMD:A:2001,invalid,,,,,c1c[nH+]c[nH]1,
,,,TSU:A:1001,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:A:1002,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:A:1003,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:A:1004,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:A:1006,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:A:1008,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:1005,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:1007,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:1009,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:1010,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,,TSU:B:1011,valid,,,,,Cc1ccc(cc1)S(=O)(=O)O,
,,3FXR,,,,,,,
,,,ASC:A:3001,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,GOL:A:2001,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2002,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2003,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5ELQ,,,,,,,
,,,PG4:B:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:301,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:201,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:202,invalid,,,,,C(COCCOCCOCCO)O,
,,,ARG GLU ASP GLN GLU THR ALA VAL:P:201,valid,Kd,=,2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-])CCC(=O)N)CCC(=O)[O-])C(O)C)C)C(C)C,
,,,ARG GLU ASP GLN GLU THR ALA VAL:C:201,valid,Kd,=,2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CC(=O)[O-])CCC(=O)N)CCC(=O)[O-])C(O)C)C)C(C)C,
,,5EMB,,,,,,,
,,,GLN GLU GLU TRP SEP THR VAL MET:B:587,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC(=O)[O-])CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)COP(=O)([O-])[O-])C(O)C)C(C)C)C(=O)[O-])C,
,,5EMA,,,,,,,
,,,PRO ASP ASP ILE SEP THR VAL VAL:B:1,valid,Kd,=,5.9,uM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CC(=O)[O-])C(CC)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)C(C)C)C(O)C)([O-])[O-],
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,5EM9,,,,,,,
,,,PRO GLU SEP LEU GLU SER CYS PHE:B:382,valid,Kd,=,2.7,uM,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)COP(=O)([O-])[O-])CC(C)C)CCC(=O)[O-])CO)C(=O)NC(C(=O)[O-])Cc1ccccc1,
,Family. Representative Entry is ,2VDF,,,,,,,
,,,OCT:A:1254,valid,,,,,CCCCCCCC,
,,,SO4:A:1255,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CQK,,,,,,,
,,,PIO:I:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:K:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:F:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:D:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:G:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:M:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:B:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:C:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:N:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:J:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:E:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:A:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:H:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:L:1048,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,MRD:F:1050,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:1051,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:1051,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:E:1052,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,SO4:A:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1050,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:1049,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2Q9U,,,,,,,
,,,6474_6475_:A:701,Part of Protein,,,,,,
,,,6476_:A:701,invalid,,,,,,
,,,6516_6517_:B:701,Part of Protein,,,,,,
,,,6518_:B:701,invalid,,,,,,
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NO3:A:501,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:502,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:503,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:501,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:502,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,3SE5,,,,,,,
,,,ANP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,,MG:C:203,invalid,,,,,[Mg+2],
,,,MG:D:202,invalid,,,,,[Mg+2],
,,,P6G:A:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:203,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:C:202,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,4X3H,,,,,,,
,,,ARG ILE PRO SER TYR ARG TYR ARG TYR:B:225,valid,Kd,=,59.4,uM,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc2ccc(O)cc2)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CO)CCC1)C(CC)C)C([NH3+])CCCNC(=[NH2+])N,
,,4X3I,,,,,,,
,,,ALA THR ARG ASN PHE SER GLY:B:309,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CO)Cc1ccccc1)CC(=O)N)CCCNC(=[NH2+])N)C(NC(=O)C([NH3+])C)C(O)C,
,Family. Representative Entry is ,4IX4,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4IX6,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4IX5,,,,,,,
,,,ANP:A:603,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,MG:A:601,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3KMT,,,,,,,
,,,ALA ARG MLZ SER ALA PRO ALA THR:G:25,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH2+]C)CO)C)CCC1)C)C(O)C,
,,,ALA ARG MLZ SER ALA PRO ALA THR:H:25,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH2+]C)CO)C)CCC1)C)C(O)C,
,,,ALA ARG MLZ SER ALA PRO ALA THR:I:25,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[NH2+]C)CO)C)CCC1)C)C(O)C,
,,,SAH:A:120,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:120,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:120,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6F5U,,,,,,,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:B:707,invalid,,,,,CS(=O)C,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,,CQN:A:610,valid,Kd,=,0.29,mM,CC(C)COC[C@@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3,
,Family. Representative Entry is ,6LRG,,,,,,,
,,,ORN:A:802,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:801,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,NAD:A:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,6P2U,,,,,,,
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NO7:A:501,valid,,,,,C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3UBQ,,,,,,,
,,,NAG:A:332,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:261,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:341,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:411,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:431,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:451,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:521,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:531,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:621,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:641,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:651,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:O:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,3UBE,,,,,,,
,,,NAG:A:334,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:335,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:336,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:334,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:333,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:561,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:641,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:P:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:G:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,3UBJ,,,,,,,
,,,NAG:A:332,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:261,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:341,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:411,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:431,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:451,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:521,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:531,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:541,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:621,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:641,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:651,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:S:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:R:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6A56,,,,,,,
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,EPE:B:202,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BGC GAL:D:1,valid,Ka,=,11300,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:C:1,valid,Ka,=,11300,M^-1,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3SK2,,,,,,,
,,,GRI:A:130,valid,Kd,=,244,uM,COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O,
,Family. Representative Entry is ,6ZWB,,,,,,,
,,,QRN:B:502,valid,,,,,COc1ccc(cc1O)CCc2nc3ccccc3s2,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,4DRX,,,,,,,
,,,GTP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP MG:A:600,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,GTP MG:D:600,invalid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,MG:B:601,invalid,,,,,[Mg+2],
,,,MG:C:601,invalid,,,,,[Mg+2],
,,6ZWC,,,,,,,
,,,QRQ:B:502,valid,,,,,COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5EYP,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,LOC:B:502,valid,,,,,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,Family. Representative Entry is ,6IUF,,,,,,,
,,,ACO:B:101,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:101,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3PUA,,,,,,,
,,,CL:A:453,invalid,,,,,[Cl-],
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:452,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,NI:A:2,Part of Protein,,,,,[Ni+2],
,,,OGA:A:454,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,3PU3,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:17,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:20,invalid,,,,,C(CO)O,
,,,EDO:A:23,invalid,,,,,C(CO)O,
,,,EDO:A:24,invalid,,,,,C(CO)O,
,,,EDO:A:26,invalid,,,,,C(CO)O,
,,,EDO:A:27,invalid,,,,,C(CO)O,
,,,EDO:A:33,invalid,,,,,C(CO)O,
,,,EDO:A:34,invalid,,,,,C(CO)O,
,,,EDO:A:35,invalid,,,,,C(CO)O,
,,,EDO:A:36,invalid,,,,,C(CO)O,
,,,EDO:A:37,invalid,,,,,C(CO)O,
,,,EDO:A:42,invalid,,,,,C(CO)O,
,,,EDO:A:46,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:13,invalid,,,,,C(CO)O,
,,,EDO:B:21,invalid,,,,,C(CO)O,
,,,EDO:B:22,invalid,,,,,C(CO)O,
,,,EDO:B:28,invalid,,,,,C(CO)O,
,,,EDO:B:29,invalid,,,,,C(CO)O,
,,,EDO:B:30,invalid,,,,,C(CO)O,
,,,EDO:B:31,invalid,,,,,C(CO)O,
,,,EDO:B:38,invalid,,,,,C(CO)O,
,,,EDO:B:39,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:40,invalid,,,,,C(CO)O,
,,,EDO:B:41,invalid,,,,,C(CO)O,
,,,EDO:B:43,invalid,,,,,C(CO)O,
,,,EDO:B:44,invalid,,,,,C(CO)O,
,,,EDO:B:45,invalid,,,,,C(CO)O,
,,,EDO:B:452,invalid,,,,,C(CO)O,
,,,EDO:B:47,invalid,,,,,C(CO)O,
,,,EDO:B:48,invalid,,,,,C(CO)O,
,,,EDO:B:49,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,GOL:A:12,invalid,,,,,C(C(CO)O)O,
,,,OGA:A:1,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:2,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,3PUS,,,,,,,
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:B:452,invalid,,,,,[Cl-],
,,,EDO:A:1,invalid,,,,,C(CO)O,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:2,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:13,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,NI:A:452,Part of Protein,,,,,[Ni+2],
,,,NI:B:1,Part of Protein,,,,,[Ni+2],
,,,OGA:A:453,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:453,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OXY:B:2,invalid,,,,,O=O,
,,3PU8,,,,,,,
,,,CL:A:4,invalid,,,,,[Cl-],
,,,CL:B:453,invalid,,,,,[Cl-],
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:15,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:452,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:20,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:452,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:6,invalid,,,,,C(CO)O,
,,,FE:A:453,Part of Protein,,,,,[Fe+3],
,,,FE:B:454,Part of Protein,,,,,[Fe+3],
,,,OGA:A:2,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:1,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OXY:A:1,invalid,,,,,O=O,
,,,OXY:B:2,invalid,,,,,O=O,
,,,SO4:A:454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:12,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:13,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2GUE,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:320,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:317,invalid,,,,,C(CO)O,
,,,EDO:B:318,invalid,,,,,C(CO)O,
,,,EDO:B:319,invalid,,,,,C(CO)O,
,,,EDO:B:321,invalid,,,,,C(CO)O,
,,,NAG:B:122,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5YJ0,,,,,,,
,,,ZN:K:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:S:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:502,Part of Protein,,,,,[Zn+2],
,,,ZN:P:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:G:502,Part of Protein,,,,,[Zn+2],
,,,ZN:T:502,Part of Protein,,,,,[Zn+2],
,,,ZN:M:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:J:502,Part of Protein,,,,,[Zn+2],
,,,ZN:N:502,Part of Protein,,,,,[Zn+2],
,,,ZN:V:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Y:502,Part of Protein,,,,,[Zn+2],
,,,SO4:T:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EF2:Q:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:D:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:K:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:N:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:A:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:P:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:V:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:J:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:M:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:H:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:Y:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:T:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:S:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:E:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:G:501,valid,Kd,=,5.7,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,5YIZ,,,,,,,
,,,ZN:K:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:S:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:502,Part of Protein,,,,,[Zn+2],
,,,ZN:P:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:G:502,Part of Protein,,,,,[Zn+2],
,,,ZN:T:502,Part of Protein,,,,,[Zn+2],
,,,ZN:M:502,Part of Protein,,,,,[Zn+2],
,,,ZN:J:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:V:502,Part of Protein,,,,,[Zn+2],
,,,ZN:N:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Y:502,Part of Protein,,,,,[Zn+2],
,,,SO4:T:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EF2:Q:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:D:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:K:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:N:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:A:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:P:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:V:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:J:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:M:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:H:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:Y:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:T:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:S:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:E:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:G:501,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,5YJ1,,,,,,,
,,,ZN:K:502,Part of Protein,,,,,[Zn+2],
,,,ZN:H:502,Part of Protein,,,,,[Zn+2],
,,,ZN:E:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:S:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Q:502,Part of Protein,,,,,[Zn+2],
,,,ZN:P:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:G:502,Part of Protein,,,,,[Zn+2],
,,,ZN:T:502,Part of Protein,,,,,[Zn+2],
,,,ZN:M:502,Part of Protein,,,,,[Zn+2],
,,,ZN:J:502,Part of Protein,,,,,[Zn+2],
,,,ZN:D:502,Part of Protein,,,,,[Zn+2],
,,,ZN:V:502,Part of Protein,,,,,[Zn+2],
,,,ZN:N:502,Part of Protein,,,,,[Zn+2],
,,,ZN:Y:502,Part of Protein,,,,,[Zn+2],
,,,SO4:T:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:T:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:S:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:V:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6EL:M:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:Y:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:T:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:D:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:Q:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:A:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:S:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:P:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:H:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:V:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:E:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:G:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:N:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:K:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:B:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,,,6EL:J:501,valid,Kd,=,50.3,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@@H]3CCC(=O)NC3=O,
,Family. Representative Entry is ,5TBM,,,,,,,
,,,79A:A:401,valid,Kd,=,0.049,uM,CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N,
,,3H82,,,,,,,
,,,020:A:351,valid,Kd,=,1.5,uM,c1cc(oc1)CNc2ccc(cc2[N+](=O)[O-])C(F)(F)F,
,,4GS9,,,,,,,
,,,0XB:A:401,valid,Kd,=,2.2,uM,c1cc(cc(c1)F)Nc2ccc3c(c2[N+](=O)[O-])non3,
,,,PE8:A:402,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCO)O,
,,5UFP,,,,,,,
,,,86D:A:401,valid,,,,,c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F,
,,3H7W,,,,,,,
,,,018:A:1,valid,Kd,=,0.59,uM,c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NCc2ccsc2,
,,4GHI,,,,,,,
,,,0X3:A:401,valid,Kd,=,81,nM,c1cc(c(c2c1non2)[N+](=O)[O-])Nc3cc(cc(c3)Cl)F,
,,4XT2,,,,,,,
,,,43L:A:401,valid,Kd,=,63,nM,c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br,
,,,43L:C:401,valid,Kd,=,63,nM,c1cc(cc(c1)Br)[C@@H]2C[C@@H](n3c(nnn3)N2)c4cccc(c4)Br,
,,3F1O,,,,,,,
,,,2XY:A:1,valid,,,,,c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])NN2CCOCC2,
,,,EDO:A:351,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3WY9,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5R0D,,,,,,,
,,,R8Y:A:2501,valid,,,,,CCN(CCC(=O)O)C(=O)c1cccs1,
,,5R09,,,,,,,
,,,SYG:B:401,valid,,,,,CC[C@@H](c1ccccc1O)N,
,,5R0G,,,,,,,
,,,SYJ:A:2501,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2,
,,5QY1,,,,,,,
,,,R8A:B:401,valid,,,,,c1cc(c(nc1)N)CO,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2101,invalid,,,,,C[C@H](CO)O,
,,5QYB,,,,,,,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,R9G:A:2101,valid,,,,,COc1cccc(c1)C(=O)N2CCCC2,
,,5R0B,,,,,,,
,,,SY7:A:2501,valid,,,,,COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC,
,,5QYK,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SZA:B:401,valid,,,,,c1cc(sc1)CCNC(=O)c2ccncc2,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2102,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,5R0C,,,,,,,
,,,R8V:B:401,valid,,,,,CN1[C@H](c2ccccc2C1=O)O,
,,5QY7,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,USJ:B:401,valid,,,,,CN1[C@H](c2ccccc2[C@@H]1O)O,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,5QYD,,,,,,,
,,,SO4:A:2105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2102,invalid,,,,,C[C@H](CO)O,
,,,R9S:A:2101,valid,,,,,Cc1ccccc1CC(=O)N,
,,5R0M,,,,,,,
,,,SZA:B:401,valid,,,,,c1cc(sc1)CCNC(=O)c2ccncc2,
,,,SZA:A:2501,valid,,,,,c1cc(sc1)CCNC(=O)c2ccncc2,
,,5R0E,,,,,,,
,,,SY4:A:2501,valid,,,,,CCCS(=O)(=O)Nc1cc(c(cc1F)F)N,
,,,SY4:B:401,valid,,,,,CCCS(=O)(=O)Nc1cc(c(cc1F)F)N,
,,5QYC,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SYJ:A:2101,valid,,,,,c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,5QYJ,,,,,,,
,,,TBJ:A:2101,valid,,,,,C1CCC(C1)NC(=O)NC[C@H]2CCCO2,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R0J,,,,,,,
,,,RBJ:B:401,valid,,,,,CNCc1ccc(cc1)O,
,,5QY4,,,,,,,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T9S:B:401,valid,,,,,CCOC(=O)N1Cc2ccncc2C1,
,,,T9S:A:2101,valid,,,,,CCOC(=O)N1Cc2ccncc2C1,
,,5QYI,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,,SZ7:B:401,valid,,,,,c1cc(sc1)/C=N/NC(=O)C2CC2,
,,5R08,,,,,,,
,,,R8A:B:401,valid,,,,,c1cc(c(nc1)N)CO,
,,5QYE,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,USP:A:2101,valid,,,,,CN1c2ccc(cc2O[C@H]1O)N,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,PGR:B:402,invalid,,,,,C[C@H](CO)O,
,,5QY5,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,SYA:B:401,valid,,,,,COc1c(c(cc(c1F)F)C(=O)O)F,
,,5R0K,,,,,,,
,,,SZ7:B:401,valid,,,,,c1cc(sc1)/C=N/NC(=O)C2CC2,
,,5R0L,,,,,,,
,,,TBJ:A:2501,valid,,,,,C1CCC(C1)NC(=O)NC[C@H]2CCCO2,
,,5QY3,,,,,,,
,,,PGR:A:2304,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2303,invalid,,,,,C[C@H](CO)O,
,,,SYG:B:401,valid,,,,,CC[C@@H](c1ccccc1O)N,
,,,SO4:A:2301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R0H,,,,,,,
,,,R9S:A:2501,valid,,,,,Cc1ccccc1CC(=O)N,
,,5QYH,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,T9V:A:2101,valid,,,,,CC(=O)Nc1ccc(cc1)OC,
,,5QY6,,,,,,,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,SY7:A:2101,valid,,,,,COc1cc(ccn1)CN2[C@H]([C@@H](NC2c3ccnc(c3)OC)c4ccnc(c4)OC)c5ccnc(c5)OC,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5QY2,,,,,,,
,,,PGR:A:2304,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2307,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2305,invalid,,,,,C[C@H](CO)O,
,,,SO4:A:2301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TJ1:B:401,valid,,,,,CC(C)C1=NOC(=O)N1,
,,5QYG,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RBJ:B:502,valid,,,,,CNCc1ccc(cc1)O,
,,,PGR:A:2102,invalid,,,,,C[C@H](CO)O,
,,5QY8,,,,,,,
,,,TJV:A:2101,valid,,,,,c1cc2c(cc1C(=S)N)OCO2,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,5R0I,,,,,,,
,,,SYV:A:2501,valid,,,,,CN1c2ccc(cc2OC1=O)N,
,,5R0F,,,,,,,
,,,R9G:A:2501,valid,,,,,COc1cccc(c1)C(=O)N2CCCC2,
,,5QY9,,,,,,,
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2108,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,R8Y:A:2101,valid,,,,,CCN(CCC(=O)O)C(=O)c1cccs1,
,,5QYF,,,,,,,
,,,SO4:A:2101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2107,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,T9Y:B:401,valid,,,,,CCOC(=O)c1cn[nH]c1C(F)(F)F,
,,,PGR:A:2103,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2106,invalid,,,,,C[C@H](CO)O,
,,5QYA,,,,,,,
,,,SY4:B:401,valid,,,,,CCCS(=O)(=O)Nc1cc(c(cc1F)F)N,
,,,SY4:A:2102,valid,,,,,CCCS(=O)(=O)Nc1cc(c(cc1F)F)N,
,,,SY4:A:2101,valid,,,,,CCCS(=O)(=O)Nc1cc(c(cc1F)F)N,
,,,PGR:A:2104,invalid,,,,,C[C@H](CO)O,
,,,PGR:A:2105,invalid,,,,,C[C@H](CO)O,
,,,SO4:A:2106,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5R0A,,,,,,,
,,,SYA:B:401,valid,,,,,COc1c(c(cc(c1F)F)C(=O)O)F,
,Family. Representative Entry is ,3EUT,,,,,,,
,,,DCR:A:1,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O,
,,,DCR:C:1,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,3QZS,,,,,,,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL:C:14,valid,Kd,=,99,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)CN)C)CCCCNC(=O)C,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL:D:14,valid,Kd,=,99,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)CN)C)CCCCNC(=O)C,
,,3QZT,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL:B:14,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)CN)C)CCCCNC(=O)C,
,Family. Representative Entry is ,2YGO,,,,,,,
,,,NA:A:1215,Part of Protein,,,,,[Na+],
,,,NAG:A:1214,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PCF:A:1213,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,
,,2YGP,,,,,,,
,,,CA:A:1215,invalid,,,,,[Ca+2],
,,,NAG:A:1214,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PCF:A:1213,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,
,,,SPD:A:1216,invalid,,,,,C(CCNCCCN)CN,
,Family. Representative Entry is ,5C8P,,,,,,,
,,,NAG NAG NAG:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,5C8Q,,,,,,,
,,,NAG NAG NAG NAG:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)COC2CO)OC1CO)C,
,Family. Representative Entry is ,5MQW,,,,,,,
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:301,invalid,,,,,[Cl-],
,,4X35,,,,,,,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,ATP:A:305,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GTP:A:304,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4OTS,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5A9P,,,,,,,
,,,ATP:A:1249,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GTP:A:1250,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4OTV,,,,,,,
,,,CL:A:301,invalid,,,,,[Cl-],
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3FGZ,,,,,,,
,,,BEF:A:130,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:130,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:500,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,NH4:B:502,invalid,,,,,[NH4+],
,,5DKF,,,,,,,
,,,IMD:B:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:206,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,BEF:B:202,valid,,,,,[Be-](F)(F)F,
,,,BEF:A:202,valid,,,,,[Be-](F)(F)F,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,5D2C,,,,,,,
,,,IMD:B:207,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,BEF:B:202,valid,,,,,[Be-](F)(F)F,
,,,BEF:A:202,valid,,,,,[Be-](F)(F)F,
,,,GOL:B:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FFW,,,,,,,
,,,BEF:A:130,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:131,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:130,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3F7N,,,,,,,
,,,BEF:A:130,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:130,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FFX,,,,,,,
,,,BEF:A:130,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:130,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3FFT,,,,,,,
,,,BEF:A:130,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:130,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:202,Part of Protein,,,,,[Mn+2],
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:131,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DGC,,,,,,,
,,,IMD:B:206,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:205,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:204,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:203,invalid,,,,,c1c[nH+]c[nH]1,
,,,MN:A:202,Part of Protein,,,,,[Mn+2],
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,BEF:B:202,valid,,,,,[Be-](F)(F)F,
,,,BEF:A:201,valid,,,,,[Be-](F)(F)F,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,CL:A:206,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4HIA,,,,,,,
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4HJ6,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4HNB,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FNR:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6VIY,,,,,,,
,,,QYY:A:501,valid,Ki,=,1.1,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C,
,,5U6V,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,7WY:A:501,valid,ic50,=,21,nM,Cc1c-2n(nn1)CCN(c3c2ccc(c3)c4ccc(nc4)N)c5ccc(cc5)Cl,
,,5O3A,,,,,,,
,,,31P:A:501,valid,,,,,CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC,
,,5DFD,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,59E:A:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2CC(=O)OC)c4cccc5c4cc[nH]5)OC,
,,5XHK,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,LDR:A:504,valid,,,,,c1ccc2c(c1)-c3ccccc3NC2=O,
,,,2ME:A:503,invalid,,,,,CCOC,
,,5O3D,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,,9J5:A:501,valid,,,,,CC[C@H]([C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)OC,
,,6YTM,,,,,,,
,,,PXN:A:503,valid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,PXN:A:502,valid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,,PMW:B:501,valid,Kd,=,65,nM,CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC,
,,,PMW:A:501,valid,Kd,=,65,nM,CC[C@H]([C@H]1c2nnc(n2-c3c(c(c(s3)C)C)[C@H](N1)c4ccc(cc4)Cl)C)C(=O)OC,
,,5IG6,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,6B3:A:505,valid,Kd,=,213.7,uM,c1ccc2c(c1)-c3ccc(cc3NC2=O)NC(=O)c4ccccc4c5ccccc5C(=O)O,
,,5O3G,,,,,,,
,,,9J8:B:501,valid,,,,,CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,9J8:A:501,valid,,,,,CCNC(=O)[C@H](CC=C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,4J1P,,,,,,,
,,,1K0:A:501,valid,Kd,=,0.206,uM,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,5O3I,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,,9HN:A:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC(C)(C)C)c4ccc(cc4)Cl)OC,
,,5UEW,,,,,,,
,,,87D:B:501,valid,,,,,CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C,
,,,87D:A:501,valid,,,,,CN1C=C(C(=CC1=O)OC)c2cc(ccc2Oc3ccccc3)NS(=O)(=O)C,
,,5O3B,,,,,,,
,,,9HZ:C:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,,9HZ:B:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,,9HZ:D:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,,9HZ:A:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](CC=C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,5O3E,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,9HW:A:501,valid,,,,,CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,3ONI,,,,,,,
,,,EDO:A:457,invalid,,,,,C(CO)O,
,,,EDO:A:458,invalid,,,,,C(CO)O,
,,,JQ1:A:1,valid,,,,,Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,
,,,NI:A:2,Part of Protein,,,,,[Ni+2],
,,,NI:A:456,Part of Protein,,,,,[Ni+2],
,,6K04,,,,,,,
,,,CQF:A:501,valid,Ki,=,3.1,nM,Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C,
,,5O39,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,,31O:A:501,valid,,,,,Cc1nnc2n1-c3ccc(cc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,5O3H,,,,,,,
,,,9HQ:A:501,valid,,,,,CCNC(=O)[C@H](C)[C@H]1c2nnc(n2-c3cc(ccc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,5O3C,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,9J2:A:501,valid,,,,,Cc1nnc2n1-c3cc(ccc3C(=N[C@H]2[C@@H](C)C(=O)OC)c4ccc(cc4)Cl)OC,
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,,4MR6,,,,,,,
,,,1K0:A:505,valid,,,,,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,6MOA,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,JW4:A:501,valid,Kd,=,2.5,nM,Cc1ccc2c(c1c3cc(cc4c3nc([nH]4)C5CC5)c6c(noc6C)C)cccn2,
,,5DW1,,,,,,,
,,,5GD:C:501,valid,ic50,=,0.08,uM,Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC,
,,,5GD:D:501,valid,ic50,=,0.08,uM,Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC,
,,,5GD:B:500,valid,ic50,=,0.08,uM,Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC,
,,,5GD:A:500,valid,ic50,=,0.08,uM,Cc1cc(cc(c1OCCN2CCCC2)C)C3=Nc4cc(cc(c4C(=O)N3)OC)OC,
,,,NA:D:502,Part of Protein,,,,,[Na+],
,,,NA:C:502,Part of Protein,,,,,[Na+],
,,5DFC,,,,,,,
,,,NI:A:504,invalid,,,,,[Ni+2],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,2PE:A:502,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,EAM:A:503,valid,,,,,CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,4MR5,,,,,,,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,1K0:A:506,valid,,,,,Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,5O3F,,,,,,,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,9HT:A:501,valid,,,,,CC[C@H]([C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C)C(=O)NCC,
,,,DQW:A:503,invalid,,,,,C[C@@H](COC[C@H](C)O)O,
,Family. Representative Entry is ,4X7R,,,,,,,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:B:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,3YW:B:503,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O,
,,,3YW:A:503,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC[C@H](CO)O)CO)O)O,
,,,ZDO IDS SUS BDP SGN:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(O)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,ZDO IDS SUS BDP SGN:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(O)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,4X7M,,,,,,,
,,,UDP:A:500,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UD1:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,Family. Representative Entry is ,5LXT,,,,,,,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,7AK:D:503,valid,Ka,=,8720000000,M^-1,C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C[C@H](C)[C@@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=CC=C)OC(=O)N)O)O)O,
,,,7AK:B:505,valid,Ka,=,8720000000,M^-1,C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C[C@H](C)[C@@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=CC=C)OC(=O)N)O)O)O,
,,4TUY,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,36L:D:503,valid,,,,,Cc1nc(co1)/C=C(C)/C=C/C=C(C)/[C@@H]([C@@H](C)[C@@H]2C[C@@H]([C@@]3([C@H](O3)/C=C/[C@H]([C@H]4C[C@@H](C/C=C/C(=O)O2)CC(=O)O4)C)C)O)OC,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,6KNZ,,,,,,,
,,,DN0:B:506,valid,Kd,=,1.26,uM,c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4,
,,,DN0:D:504,valid,Kd,=,1.26,uM,c1ccc(cc1)CNC(=O)Cc2ccc(cn2)c3ccc(cc3)OCCN4CCOCC4,
,,,MG:D:501,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6QQN,,,,,,,
,,,2GE:B:504,valid,,,,,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:B:506,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5NJH,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,8Z8:B:503,valid,Ka,=,180000,M^-1,COC1C[C@H]2CC[C@@H](C1)N2c3c(c(nc4n3ncn4)Cl)c5c(cc(cc5F)F)F,
,,5M8D,,,,,,,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,UGI:B:501,valid,,,,,c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3)N4CCOCC4)C(F)(F)F,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5NG1,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MES:B:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,8WE:B:504,invalid,,,,,C/C=C/C=CC(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2C[C@@H](C[C@@H](O2)CCCC(=O)C[C@@H](CCCC(=O)O1)C)C)/C)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,8WB:B:503,valid,Ka,=,450000,M^-1,COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC,
,,,8WB:D:503,valid,Ka,=,450000,M^-1,COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ZPN:D:504,invalid,,,,,C/C=C/C=CC(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=CC=CC(=O)O1)/C)/C)O,
,,6BRF,,,,,,,
,,,E44:D:502,valid,,,,,COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl,
,,,E44:B:505,valid,,,,,COc1ccc2c(c1)CCCN2c3c4c(cccn4)nc(n3)Cl,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6O5M,,,,,,,
,,,MG:B:504,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,G8K:D:502,valid,,,,,COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4,
,,,G8K:B:506,valid,,,,,COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,5JVD,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,CA:B:506,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,6NL:B:501,valid,Ka,=,13000000,M^-1,C/C(=Cc1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3,
,,,6NL:D:500,valid,Ka,=,13000000,M^-1,C/C(=Cc1ccc(c(c1)O)OC)/C(=O)c2cc3c(c(c2)OC)OCO3,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5GON,,,,,,,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,IMD:C:508,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:509,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:510,invalid,,,,,c1c[nH+]c[nH]1,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:504,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,6ZR:B:508,valid,,,,,C[C@@H]1[C@@H](N(C1=O)c2cc(c(c(c2)OC)OC)OC)c3ccc(c(c3)O)OC,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,invalid,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6Y6D,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,ACP:F:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,OBQ:D:503,valid,,,,,CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3,
,,,OBQ:B:503,valid,,,,,CN1CCc2cc3c(c(c2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)N)OC)OC)OCO3,
,,5M8G,,,,,,,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:D:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,918:B:501,valid,,,,,c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F,
,,,918:D:501,valid,,,,,c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCCC4)C(F)(F)F,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6FII,,,,,,,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SG9:D:502,valid,Kd,=,9.5,nM,C[C@H]1[C@H]2CCC/C=C[C@H]3C[C@@H](C[C@]4(O3)C[C@H](C[C@H](O4)CC(=O)[C@H]([C@H]([C@@H](C(=C)C[C@H]5C[C@](C[C@]6(O5)C[C@H](C[C@@H](O6)CC(=O)O[C@@H]7[C@H]([C@H]([C@@H]([C@](O2)(C[C@@H]1O)O)O)O[C@@H]([C@H]7O)CC(=C)C[C@@H](/C=C/C(=C)Cl)O)C)OC(=O)C)(C)O)C)OC(=O)C)C)OC)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5NFZ,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,8WB:D:500,valid,Ka,=,470000,M^-1,COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC,
,,,8WB:B:501,valid,Ka,=,470000,M^-1,COc1ccc(c(c1OC)OC)C2=CC=C(C(=O)C=C2)OC,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,4I50,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:403,Part of Protein,,,,,[Mg+2],
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,MES:D:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EP:D:504,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C,
,,,CA:C:505,invalid,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:504,invalid,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4O2B,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,LOC:B:503,valid,Ki,=,1.8,uM,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,,,LOC:D:503,valid,Ki,=,1.8,uM,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:509,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:508,invalid,,,,,[Ca+2],
,,,CA:B:508,invalid,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,IMD:C:510,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:509,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:511,invalid,,,,,c1c[nH+]c[nH]1,
,,,PEG:C:506,invalid,,,,,C(COCCO)O,
,,,PEG:C:507,invalid,,,,,C(COCCO)O,
,,6FKL,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MES:B:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DLK:D:503,valid,,,,,CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC,
,,,DLK:B:507,valid,,,,,CC(=C1C(=O)CC(CC1=O)c2ccccc2)Nc3ccccc3OC,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,6BR1,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,E3Y:B:505,valid,,,,,COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl,
,,,E3Y:D:502,valid,,,,,COc1ccc2c(c1)CCCN2c3c4cccnc4nc(n3)Cl,
,,6JCJ,,,,,,,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,BG0:B:503,valid,,,,,COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N,
,,,BG0:D:502,valid,,,,,COc1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C#N)N)N)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5IYZ,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,4Q5:B:504,valid,,,,,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC,
,,,4Q5:D:503,valid,,,,,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4O4L,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,POU:B:503,valid,,,,,CC[C@@H](CO)/C=C(/C)[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC,
,,,POU:D:503,valid,,,,,CC[C@@H](CO)/C=C(/C)[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC,
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EP:B:504,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C,
,,,EP:D:504,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,6FJM,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,Part of Protein,,,,,[Ca+2],
,,,CA:D:504,invalid,,,,,[Ca+2],
,,,CA:D:505,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,DKN:D:503,valid,Kd,=,576,nM,C/C=C/[C@H](O)[C@](C(=O)OC)([C@H]1OC(=O)c2nc(oc2)/C=C/C=C/C=CC[C@H](OC(=O)c3nc(oc3)/C=C/C=C/C=CC1)[C@@](C(=O)OC)([C@@H](O)/C=C/C)C)C,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4I55,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:D:601,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:701,Part of Protein,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,GDP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,4O2A,,,,,,,
,,,MG:B:506,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:D:601,invalid,,,,,[Mg+2],
,,,MG:D:603,Part of Protein,,,,,[Mg+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:602,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:700,invalid,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,ADP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,2RR:D:604,valid,Kd,=,1.8,uM,c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N,
,,,2RR:B:504,valid,Kd,=,1.8,uM,c1ccc2c(c1)nc(n2CC(=O)c3ccc(cc3)N)c4c(non4)NCCC#N,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,4O4I,,,,,,,
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,EP:B:503,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C,
,,,EP:D:503,valid,,,,,Cc1nc(cs1)/C=C(C)/[C@@H]2C[C@H]3[C@H](O3)CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O2)O)(C)C)C)O)C,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,LLM:B:505,valid,,,,,C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=CC(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O,
,,5CA0,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,LXL:D:502,valid,,,,,CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C,
,,,LXL:B:504,valid,,,,,CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NCC)C,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,5KX5,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,invalid,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:505,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,6YK:D:504,valid,,,,,CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C,
,,,6YK:B:504,valid,,,,,CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccc(cc2)N)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@]3(CCCN3C)C,
,,,ADP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6HX8,,,,,,,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GXN:D:503,valid,,,,,COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N,
,,,GXN:B:502,valid,,,,,COc1cc(cc(c1OC)Br)CN2CCc3cc(c(cc3C2)OC)OS(=O)(=O)N,
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,ACP MG :F:401,invalid,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5J2U,,,,,,,
,,,6DO:B:504,valid,,,,,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC,
,,,6DO:D:502,valid,,,,,CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,Part of Protein,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,6FKJ,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,DLW:D:500,valid,,,,,CCOc1ccccc1/N=C(C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O,
,,,DLW:B:501,valid,,,,,CCOc1ccccc1/N=C(C)/C2=C(C[C@@H](CC2=O)c3ccccc3)O,
,,,PG4:B:508,invalid,,,,,C(COCCOCCOCCO)O,
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5JH7,,,,,,,
,,,IMD:B:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,6K9:D:502,valid,Kd,=,45,nM,C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O,
,,,6K9:B:503,valid,Kd,=,45,nM,C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:200,invalid,,,,,[Ca+2],
,,,CA:C:504,invalid,,,,,[Ca+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,03S:B:504,invalid,,,,,CS(=O)(=O)O,
,,,ACP:F:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5O7A,,,,,,,
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,9N5:B:504,valid,,,,,CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C,
,,,9N5:D:504,valid,,,,,CC(C)(/C=N/OC)NC(=O)[C@H](OC)Oc1ccc2c(c1)cc(cn2)C#C,
,,6QTN,,,,,,,
,,,JHH:B:504,invalid,,,,,C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C,
,,,JHH:D:503,invalid,,,,,C[C@@H]1[C@@H]2CC[C@]3([C@@H]4C[C@@H]5[C@H]([C@@H]4[C@H]([C@@H]1O3)C(=O)O2)[C@@H]6[C@@H](C=C5C)[C@H]([C@@H]([C@H]6O)C)O)C,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:C:506,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4IHJ,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:601,invalid,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:701,Part of Protein,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:602,invalid,,,,,[Mg+2],
,,,GDP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,ADP:F:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:F:704,invalid,,,,,C(C(CO)O)O,
,,5XLZ,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:503,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,89U:D:502,valid,,,,,COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4,
,,,89U:B:504,valid,,,,,COc1ccc(cc1O)C=C2c3ccccc3C(=O)c4c2cccc4,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5OSK,,,,,,,
,,,MES:B:506,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,CA:C:504,Part of Protein,,,,,[Ca+2],
,,,IMD:C:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:507,invalid,,,,,c1c[nH+]c[nH]1,
,,,A9Q:B:507,valid,ic50,=,2.5,uM,COc1ccc(c(c1)CN2Cc3cc(c(cc3NC2=O)OS(=O)(=O)N)OC)OC,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5M7E,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,SD5:B:505,valid,,,,,c1c(c(cnc1N)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5LOV,,,,,,,
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,71E:C:503,valid,,,,,CC(C)[C@H](C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]4(c5cc(ccc5N[C@@H]4O3)F)c6c(nc(o6)[C@@H](NC1=O)C(C)(C)C)c7nc(co7)CO)O,
,,5M7G,,,,,,,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,Part of Protein,,,,,[Ca+2],
,,,CA:C:504,invalid,,,,,[Ca+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,FB7:B:501,valid,,,,,c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N,
,,,FB7:D:500,valid,,,,,c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F)(F)F)N,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,4O4J,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,POU:B:503,valid,,,,,CC[C@@H](CO)/C=C(/C)[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC,
,,,POU:D:503,valid,,,,,CC[C@@H](CO)/C=C(/C)[C@@H]1C[C@H](C[C@@H](C([C@@]2([C@@H]([C@@H](C[C@@H](O2)C[C@H]([C@@H](C(=O)O1)O)OC)OC)O)O)(C)C)O)OC,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,5LXS,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,invalid,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,7AO:D:503,valid,Ka,=,93000000,M^-1,C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C[C@H](C)[C@@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=CC=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O,
,,,7AO:B:504,valid,Ka,=,93000000,M^-1,C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](/C=C[C@H](C)[C@@H]([C@@H](C)/C=C(/C)C[C@H](C)[C@H]([C@H](C)[C@H]([C@@H](C)/C=CC=C)OC(=O)NCCCNC(=O)c2cccc(c2)N=[N+]=[N-])O)O)O,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,4TV8,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,3GT:D:502,valid,,,,,C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,CA:C:504,Part of Protein,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5EZY,,,,,,,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,TAJ:D:503,invalid,,,,,C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O,
,,,TAJ:B:505,invalid,,,,,C[C@@H]1C[C@]2([C@@]([C@H]3[C@H]1[C@@]4([C@@H]([C@H]3O)[C@H]5[C@H]([C@@H]([C@@H]4OC(=O)C)OC(=O)C)[C@@]6([C@H](C[C@H]7[C@@H]([C@@H]6OC(=O)C)O7)C(=O)[C@@H]5O)C)C)([C@](C(=O)O2)(C)O)C)O,
,,5OV7,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:503,invalid,,,,,[Mg+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,6FS:B:504,valid,,,,,COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC,
,,,6FS:D:503,valid,,,,,COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6GJ4,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,EZW:D:503,valid,Ka,=,70000000,M^-1,CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6,
,,,EZW:B:503,valid,Ka,=,70000000,M^-1,CC(=O)OC1=C(Oc2cc3ccccc3cc2-n4c1ccc4)c5cccc6c5cccn6,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5CA1,,,,,,,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NZO:B:504,valid,,,,,COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3,
,,,NZO:D:503,valid,,,,,COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,4I4T,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:701,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:702,Part of Protein,,,,,[Mg+2],
,,,MES:B:507,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:703,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GOL:F:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:704,invalid,,,,,C(C(CO)O)O,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,invalid,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,TYR:B:506,invalid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,ZPN:D:503,invalid,,,,,C/C=C/C=CC(=O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@@H](O2)CCCC(=O)C/C(=CC=CC(=O)O1)/C)/C)O,
,,6SES,,,,,,,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,L95:D:503,valid,,,,,CC/C=C[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C[C@H](C)[C@H]([C@@H](C)/C=C[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N,
,,,L95:B:503,valid,,,,,CC/C=C[C@H](C)[C@@H]([C@@H](C)[C@@H]([C@@H](C)C/C(=C[C@H](C)[C@H]([C@@H](C)/C=C[C@H](C[C@H]1[C@@H](CCC(=O)O1)C)O)O)/C)O)OC(=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,4TV9,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,3H4:D:503,valid,,,,,C/C=CC[C@@H](C/C=CNC(=O)[C@H](C(C)(C)C)NC(=O)/C=CC=C/C(=C/[C@H](C)[C@@H]1CC=C(C(=O)O1)OC)/C)OC(=O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,5BMV,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,VLB:C:507,valid,,,,,CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,4ZOL,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,MG:B:502,invalid,,,,,[Mg+2],
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:402,invalid,,,,,C(C(CO)O)O,
,,,55Q:B:507,valid,,,,,CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C,
,,,55Q:D:503,valid,,,,,CC[C@@H](C)[C@H](C(=O)N(C)[C@H](C[C@H](c1nc(cs1)C(=O)N[C@@H](Cc2ccccc2)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@@H]3CCCCN3C,
,,4O4H,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:B:506,Part of Protein,,,,,[Ca+2],
,,,CA:B:505,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,LLM:B:503,valid,,,,,C[C@@H]1C[C@@H]2CC=C[C@H](O2)C/C=CC(=O)O[C@@H](C[C@H]3[C@@H](O3)[C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CCO4)C)O,
,,6FJF,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,DMS:B:504,invalid,,,,,CS(=O)C,
,,,DMS:C:505,invalid,,,,,CS(=O)C,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:C:504,invalid,,,,,CS(=O)C,
,,,DMS:C:506,invalid,,,,,CS(=O)C,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEG:C:507,invalid,,,,,C(COCCO)O,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,DKE:D:503,valid,Kd,=,6.8,nM,CC1[C@@H]2C[C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H](C4([C@H]1O4)C)OC(=O)CCCCc5cn(nn5)CCCNC(=O)c6ccc(c(c6)C7=C8C=CC(=O)CC8=Oc9c7ccc(c9)O)C(=O)O)C)C)OC)(NC(=O)O2)O,
,,5LA6,,,,,,,
,,,CA:A:504,invalid,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ACP:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,X3H:C:504,invalid,,,,,CC[C@@H]1CCC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]([C@@H](C)C/C=C/C)OC)O,
,,5YL2,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,8WU:B:504,valid,Kd,=,31.69,uM,CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C,
,,,8WU:D:503,valid,Kd,=,31.69,uM,CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(c(c3)O)OC)OC)C,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5CB4,,,,,,,
,,,TIV:B:504,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5,
,,,TIV:D:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)[C@H]3[C@@H](C(=O)NC3=O)c4cn5c6c4cccc6CCC5,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,5XP3,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,5J2T,,,,,,,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,VLB:C:503,valid,,,,,CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)[N@@]([C@@H]7[C@]68CC[N@]9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O,
,,6NNG,,,,,,,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,DJ9:B:505,valid,,,,,COc1cc(cc(c1OC)OC)c2c3c(ccn2)[nH]c(n3)c4ccc5cc[nH]c5c4,
,,,ACP:F:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:F:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2CB3,,,,,,,
,,,GOL:A:1344,invalid,,,,,C(C(CO)O)O,
,,,MLD:A:1345,valid,Kd,=,27,nM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:B:1344,valid,Kd,=,27,nM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:C:1344,valid,Kd,=,27,nM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:D:1344,valid,Kd,=,27,nM,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,Family. Representative Entry is ,5EIB,,,,,,,
,,,GTP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6GAQ,,,,,,,
,,,PG4:B:1002,invalid,,,,,C(COCCOCCOCCO)O,
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,NA:B:1004,Part of Protein,,,,,[Na+],
,,,NA:B:1005,Part of Protein,,,,,[Na+],
,,,FMN:B:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:1001,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4XNV,,,,,,,
,,,Y01:A:1103,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,Y01:A:1104,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,Y01:A:1105,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,,,1PE:A:1114,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,OLC:A:1113,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1110,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1109,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1108,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1112,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1111,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1107,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1106,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,ZN:A:1115,invalid,,,,,[Zn+2],
,,,CLR:A:1102,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,BUR:A:1101,valid,Ki,=,161,nM,CC(C)(C)c1ccccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)F,
,Family. Representative Entry is ,2VUZ,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN MAN NAG NAG:B:1,valid,Kd,=,0.432,uM,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(OC4C(NC(=O)C)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,Family. Representative Entry is ,3LRE,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5JSD,,,,,,,
,,,MLA:B:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,,,1GN ACY GAL 1GN BGC ACY GAL BGC:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(CO)O2)C1O)C,
,,,1GN ACY GAL 1GN BGC ACY GAL BGC:I:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(CO)O2)C1O)C,
,,,1GN ACY GAL 1GN BGC ACY GAL BGC:F:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(CO)O2)C1O)C,
,,5JSE,,,,,,,
,,,MLA:C:602,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:602,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:601,invalid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:602,invalid,,,,,C(C(=O)O)C(=O)O,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,,,GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(COC4C(O)C(O)C(O)C(CO)O4)C3O)C2NC(=O)C)OC(COC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C([NH3+])C(O)C)C([NH3+])C(O)C3)O2)C1O)C.O=CC.O=CC,
,Family. Representative Entry is ,2WP1,,,,,,,
,,,LYS ALA PRO ARG ALY GLN LEU ALA THR LYS:P:15,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])C)CCC1)CCCNC(=[NH2+])N)CCCCNC(=O)C)CCC(=O)N)CC(C)C)C)C(O)C)C,
,,,LYS ALA PRO ARG ALY GLN LEU ALA THR LYS:Q:14,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C[NH3+])C)CCC1)CCCNC(=[NH2+])N)CCCCNC(=O)C)CCC(=O)N)CC(C)C)C)C(O)C)C,
,Family. Representative Entry is ,6SHU,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,4WA2,,,,,,,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:S:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:T:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:F:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1007,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1008,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:P:1,valid,Kd,=,14.19,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,Kd,=,14.19,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,Kd,=,14.19,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,Kd,=,14.19,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5Y3N,,,,,,,
,,,8MF:A:601,valid,ic50,=,0.079,uM,c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl,
,Family. Representative Entry is ,4RPM,,,,,,,
,,,HXC:A:402,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,6NA:A:401,invalid,,,,,CCCCCC(=O)O,
,Family. Representative Entry is ,3CF6,,,,,,,
,,,SO4:R:168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SP1:E:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,,,SP1:E:3,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=S)(O4)O)O)N,
,Family. Representative Entry is ,5EFW,,,,,,,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2GV8,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,2X77,,,,,,,
,,,GDP:A:188,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:188,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:189,Part of Protein,,,,,[Mg+2],
,,,MG:B:189,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,7C38,,,,,,,
,,,FUC:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,7C39,,,,,,,
,,,MFU:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,MFU:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)O)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,CIT:B:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,7C3D,,,,,,,
,,,64K:A:402,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,SEJ:A:401,valid,,,,,C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,SEJ:B:401,valid,,,,,C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,7C3C,,,,,,,
,,,BMA:B:405,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:404,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:406,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,MAN:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4OQR,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,2UO:A:502,valid,Kd,=,29.3,uM,CC[C@H](C)C(=O)O[C@H]1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O,
,Family. Representative Entry is ,4QED,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4QEC,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAP:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4G43,,,,,,,
,,,ILE ASP TRP PHE GLU GLY LYS GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CCC(=O)[O-],
,,,ILE ASP TRP PHE GLU GLY LYS GLU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CCC(=O)[O-])CCCC[NH3+])CCC(=O)[O-],
,,,MPD:D:301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,4E0R,,,,,,,
,,,ILE ASP TRP PHE ASP GLY LYS GLU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])CCC(=O)[O-],
,,,ILE ASP TRP PHE ASP GLY LYS GLU:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])CCC(=O)[O-],
,,4G42,,,,,,,
,,,ILE ASP TRP PHE ASP GLY LYS ASP:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])CC(=O)[O-],
,,,ILE ASP TRP PHE ASP GLY LYS ASP:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)Cc1ccccc1)CC(=O)[O-])CCCC[NH3+])CC(=O)[O-],
,Family. Representative Entry is ,4NXQ,,,,,,,
,,,GLU ASN GLN LYS GLU TYR PHE PHE:E:3,valid,Kd,=,18,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)N)CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1,
,,,GLU ASN GLN LYS GLU TYR PHE PHE:F:3,valid,Kd,=,18,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)N)CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1,
,,,GLU ASN GLN LYS GLU TYR PHE PHE:D:2,valid,Kd,=,18,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CCC(=O)N)CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccccc1)Cc1ccccc1,
,,3KZE,,,,,,,
,,,SER SER ARG LYS GLU TYR TYR ALA:D:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccc(O)cc1)C,
,,,SER SER ARG LYS GLU TYR TYR ALA:E:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCNC(=[NH2+])N)CCCC[NH3+])CCC(=O)[O-])Cc1ccc(O)cc1)Cc1ccc(O)cc1)C,
,,4NXR,,,,,,,
,,,EPE:A:1001,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ASN LYS ASP LYS GLU TYR TYR VAL ANS:B:1,valid,Kd,=,46,uM,S(=O)(=O)(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(C)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CCC(=O)[O-])CCCC[NH3+])CC(=O)[O-])CCCC[NH3+])CC(=O)N)C1=CC=CC2C(N(C)C)=CC=CC12,
,Family. Representative Entry is ,4XCL,,,,,,,
,,,AGS:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4XDM,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,GDM:A:301,valid,,,,,C[C@H]1C[C@@H]([C@@H]([C@H](C=C([C@@H]([C@H](C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)/C)C)O)OC,
,,4XC0,,,,,,,
,,,ACP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,4XCJ,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,4XD8,,,,,,,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ANP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,3BRN,,,,,,,
,,,SRO:A:158,valid,Kd,<,2,nM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,,SRO:B:158,valid,Kd,<,2,nM,c1cc2c(cc1O)c(c[nH]2)CCN,
,Family. Representative Entry is ,3B6C,,,,,,,
,,,SDN:A:301,valid,,,,,CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O,
,,,SDN:A:302,valid,,,,,CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O,
,,,SDN:B:303,valid,,,,,CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O,
,Family. Representative Entry is ,6ER4,,,,,,,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,1PE:A:305,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BGC GAL SIA:C:1,valid,Kd,=,1.7,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:D:1,valid,Kd,=,1.7,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,6ER3,,,,,,,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4J4V,,,,,,,
,,,SVR:E:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:C:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:B:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:A:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:D:301,valid,,,,,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,Family. Representative Entry is ,4INB,,,,,,,
,,,1F6:A:201,valid,ic50,=,0.89,uM,CN1c2ccc(cc2N(C(=O)/C(=CNCCOC)/C1=O)c3ccccc3)C(F)(F)F,
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,4J93,,,,,,,
,,,0OE:A:201,valid,,,,,c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O,
,,,1JR:A:202,valid,,,,,c1ccc(cc1)c2c3c(n[nH]2)C(=O)N[C@H]3c4cccnc4,
,,4E92,,,,,,,
,,,0OE:A:201,valid,,,,,c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O,
,,,0OE:B:201,valid,,,,,c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O,
,,,0OG:A:202,valid,,,,,CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C,
,,,0OG:B:202,valid,,,,,CCc1cc(n(n1)c2ccc3c(c2)nc(n3CC4=CNC(=O)C=C4)c5cc(ccc5O)C(=O)O)c6ccc(o6)C,
,,4E91,,,,,,,
,,,0OE:A:201,valid,,,,,c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O,
,,,0OE:B:201,valid,,,,,c1cc(cc(c1)Cl)c2c(cn[nH]2)c3nc4cc(ccc4n3CCCn5ccnc5)c6ccc(cc6)C(=O)O,
,,,0OF:A:202,valid,,,,,CCN1c2ccc(cc2N(C(=O)[C@H](C1=O)c3cc(cc(c3)O)c4cccnc4)c5ccccc5)C(F)(F)F,
,,,IOD:A:203,invalid,,,,,[I-],
,,,IOD:A:204,invalid,,,,,[I-],
,,,IOD:A:205,invalid,,,,,[I-],
,,,IOD:A:206,invalid,,,,,[I-],
,,4NX4,,,,,,,
,,,JPR:C:204,valid,,,,,Cc1ccc(cc1Cl)NC(=O)NCCSCc2ccc(o2)CN(C)C,
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:203,Part of Protein,,,,,[Zn+2],
,,,CL:C:201,invalid,,,,,[Cl-],
,,2XDE,,,,,,,
,,,1B0:A:1148,valid,Kd,=,3.42,uM,Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4,
,,,1B0:B:1147,valid,Kd,=,3.42,uM,Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4,
,Family. Representative Entry is ,4FLP,,,,,,,
,,,JQ1:A:201,valid,Kd,=,190.1,nM,Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,
,,,JQ1:B:201,valid,Kd,=,190.1,nM,Cc1c(sc-2c1C(=N[C@H](c3[n+]2c(n[nH]3)C)CC(=O)OC(C)(C)C)c4ccc(cc4)Cl)C,
,,,K:B:202,Part of Protein,,,,,[K+],
,,4KCX,,,,,,,
,,,1QK:A:201,valid,Kd,=,37,uM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,,1QK:B:201,valid,Kd,=,37,uM,CCc1cnn2c1nc(cc2NCc3ccc[n+](c3)O)N4CCCC[C@H]4CCO,
,,,CL:A:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4YG0,,,,,,,
,,,BGC GAL NAG GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,4YFZ,,,,,,,
,,,BGC GAL NAG GAL:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,5JCZ,,,,,,,
,,,BEF:I:203,invalid,,,,,[Be-](F)(F)F,
,,,EDO:E:1902,invalid,,,,,C(CO)O,
,,,EDO:E:1901,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:1902,invalid,,,,,C(CO)O,
,,,EDO:B:1901,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:B:1902,invalid,,,,,C(CO)O,
,,,EDO:C:1904,invalid,,,,,C(CO)O,
,,,EDO:C:1903,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:C:1901,invalid,,,,,C(CO)O,
,,,GOL:B:1903,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:1905,Part of Protein,,,,,[Mg+2],
,,,MG:I:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,GDP BEF:D:202,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,GDP BEF:A:202,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,GDP:I:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:C:1906,invalid,,,,,CC(=O)[O-],
,,,ACT:A:207,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,3Q9L,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:700,Part of Protein,,,,,[Mg+2],
,,,MG:B:700,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6OM4,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:403,invalid,,,,,[Mg+2],
,,,POP MG:A:403,invalid,,,,,,
,,,POP:B:404,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,FME ARG THR GLY ASN ALA ASP ND7:C:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])CC(=O)[O-])C)CC(=O)N)C(O)C)CCCNC(=[NH2+])N)C,
,,,FME ARG THR GLY ASN ALA ASP ND7:D:1,valid,,,,,S(CCC(NC=O)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])CC(=O)[O-])C)CC(=O)N)C(O)C)CCCNC(=[NH2+])N)C,
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,3H5R,,,,,,,
,,,MET ARG THR GLY ASN ALA SNN:E:71,valid,,,,,S(CCC([NH3+])C=O)C,
,,,MET ARG THR GLY ASN ALA SNN:F:71,valid,,,,,S(CCC([NH3+])C=O)C,
,,,MET ARG THR GLY ASN ALA SNN:G:71,valid,,,,,S(CCC([NH3+])C=O)C,
,,,MET ARG THR GLY ASN ALA SNN:H:71,valid,,,,,S(CCC([NH3+])C=O)C,
,,,SO4:B:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,3H9J,,,,,,,
,,,APC:A:359,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:B:359,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:359,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:C:360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:D:359,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,MSE ARG THR GLY ASN ALA ASN:E:1,valid,,,,,[Se](CCC([NH3+])C=O)C,
,,,MSE ARG THR GLY ASN ALA ASN:F:1,valid,,,,,[Se](CCC([NH3+])C=O)C,
,,,MSE ARG THR GLY ASN ALA ASN:G:1,valid,,,,,[Se](CCC([NH3+])C=O)C,
,,,MSE ARG THR GLY ASN ALA ASN:H:1,valid,,,,,[Se](CCC([NH3+])C=O)C,
,,,SO4:B:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,3H9G,,,,,,,
,,,MET ARG THR GLY ASN ALA XSN:E:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C=O)CCCNC(=[NH2+])N)C.O=C(NC(C(=O)N)CC(=O)[O-])C(NC(=O)C(N)C)C,
,,,MET ARG THR GLY ASN ALA XSN:F:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C=O)CCCNC(=[NH2+])N)C.O=C(NC(C(=O)N)CC(=O)[O-])C(NC(=O)C(N)C)C,
,,,MET ARG THR GLY ASN ALA XSN:G:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C=O)CCCNC(=[NH2+])N)C.O=C(NC(C(=O)N)CC(=O)[O-])C(NC(=O)C(N)C)C,
,,,MET ARG THR GLY ASN ALA XSN:H:1,valid,,,,,S(CCC([NH3+])C(=O)NC(C=O)CCCNC(=[NH2+])N)C.O=C(NC(C(=O)N)CC(=O)[O-])C(NC(=O)C(N)C)C,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,,3H5N,,,,,,,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,MG:C:501,invalid,,,,,[Mg+2],
,,,MG:D:501,invalid,,,,,[Mg+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:500,Part of Protein,,,,,[Zn+2],
,,,ZN:C:500,Part of Protein,,,,,[Zn+2],
,,,ZN:D:500,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2OBM,,,,,,,
,,,ADP:A:600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4RJD,,,,,,,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,TFP:B:203,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:204,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:B:204,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:203,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,1PE:A:205,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,SCN:B:205,invalid,,,,,C(#N)[S-],
,,,OXL:A:207,invalid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,6JV0,,,,,,,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,ORN:A:301,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,3JUQ,,,,,,,
,,,AJD:A:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,,AJD:B:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,,AKD:A:600,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,,,AKD:B:600,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,,3CNM,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,ACT:A:800,invalid,,,,,CC(=O)[O-],
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,HHA:A:500,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,,HHA:B:500,valid,,,,,C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O,
,,3DZL,,,,,,,
,,,3OC:A:500,valid,,,,,C1C[C@H](CC(=O)C1)C(=O)O,
,,,3OC:A:600,valid,,,,,C1C[C@H](CC(=O)C1)C(=O)O,
,,,3OC:B:500,valid,,,,,C1C[C@H](CC(=O)C1)C(=O)O,
,,,3OC:B:600,valid,,,,,C1C[C@H](CC(=O)C1)C(=O)O,
,,3JUN,,,,,,,
,,,AJD:A:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,,AJD:B:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,,AKD:A:600,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,,,AKD:B:600,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,,3JUM,,,,,,,
,,,AOD:A:500,valid,,,,,c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O,
,,,AOD:B:500,valid,,,,,c1cc(c(cc1Br)C(=O)O)N[C@H]2CCC[C@H](C2)C(=O)O,
,,3JUO,,,,,,,
,,,AJD:A:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,,AJD:B:500,valid,Kd,=,8.55,uM,c1cc(c(cc1Br)C(=O)O)N[C@@H]2CCCNC2,
,,3B4P,,,,,,,
,,,3B4:A:500,valid,Kd,=,4,uM,c1ccc(c(c1)C(=O)O)NC2CCCCC2,
,,,3B4:B:500,valid,Kd,=,4,uM,c1ccc(c(c1)C(=O)O)NC2CCCCC2,
,,,ACT:B:600,invalid,,,,,CC(=O)[O-],
,,,AZI:A:600,invalid,,,,,[N-]=[N+]=[N-],
,,3JUP,,,,,,,
,,,AKD:A:500,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,,,AKD:B:500,valid,Kd,=,2.63,uM,c1cc(c(cc1Br)C(=O)[O-])N[C@H]2CCCNC2,
,Family. Representative Entry is ,1M5W,,,,,,,
,,,DXP:A:1001,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:B:1002,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:C:1003,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:E:1005,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:F:1006,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:G:1007,valid,Kd,=,54,uM,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,PO4:A:1101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1103,invalid,,,,,[O-]P(=O)([O-])[O-],
,,1HO4,,,,,,,
,,,PO4:A:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:903,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:902,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PXP:A:802,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CO)O,
,,,PXP:B:804,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CO)O,
,,,PXP:C:803,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CO)O,
,,,PXP:D:801,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CO)O,
,,1IXO,,,,,,,
,,,G3P:A:1001,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:1002,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:D:1004,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P G3P:C:1003,invalid,,,,,,
,,1IXN,,,,,,,
,,,DXP:A:2001,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:B:2002,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:C:2003,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,DXP:D:2004,valid,,,,,CC(=O)[C@H]([C@@H](COP(=O)(O)O)O)O,
,,,G3P:A:1001,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:B:1002,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:C:1003,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,,,G3P:D:1004,valid,,,,,C([C@H](COP(=O)(O)O)O)O,
,Family. Representative Entry is ,4ZBR,,,,,,,
,,,FMT:A:610,invalid,,,,,C(=O)O,
,,,FMT:A:609,invalid,,,,,C(=O)O,
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,DIF:A:601,valid,Ka,=,39000,M^-1,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,SIN:A:604,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,MLI:A:611,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NPS:A:603,valid,Ka,=,7730000,M^-1,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPS:A:602,valid,Ka,=,7730000,M^-1,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,LMR:A:606,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:605,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,6XK0,,,,,,,
,,,FLC:A:602,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,UNX:A:604,invalid,,,,,*,
,,,UNX:A:605,invalid,,,,,*,
,,,UNX:A:607,invalid,,,,,*,
,,,UNX:A:606,invalid,,,,,*,
,,,DEX:A:601,valid,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,
,,,MYR:A:603,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,5ID9,,,,,,,
,,,MLI:A:604,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:602,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:603,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,6A4:A:601,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H]1COP(=S)(O1)[S-],
,,,FMT:A:607,invalid,,,,,C(=O)O,
,,,FMT:A:605,invalid,,,,,C(=O)O,
,,,FMT:A:608,invalid,,,,,C(=O)O,
,,,FMT:A:606,invalid,,,,,C(=O)O,
,,4J2V,,,,,,,
,,,DIU:A:603,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:601,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:602,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:604,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,MLI:A:605,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:610,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:608,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:607,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:606,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:609,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:611,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,FMT:A:612,invalid,,,,,C(=O)O,
,,,FMT:A:615,invalid,,,,,C(=O)O,
,,,FMT:A:617,invalid,,,,,C(=O)O,
,,,FMT:A:613,invalid,,,,,C(=O)O,
,,,FMT:A:616,invalid,,,,,C(=O)O,
,,,FMT:A:618,invalid,,,,,C(=O)O,
,,,FMT:A:614,invalid,,,,,C(=O)O,
,,,FMT:A:619,invalid,,,,,C(=O)O,
,,,ACT:A:620,invalid,,,,,CC(=O)[O-],
,,5DQF,,,,,,,
,,,PG4:A:607,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:617,invalid,,,,,[Cl-],
,,,CL:A:615,invalid,,,,,[Cl-],
,,,CL:A:614,invalid,,,,,[Cl-],
,,,CL:A:616,invalid,,,,,[Cl-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CZE:A:613,valid,Kd,=,253,uM,c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O,
,,,LCR:A:612,valid,Kd,=,253,uM,c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O,
,,4OT2,,,,,,,
,,,NPS:A:601,valid,,,,,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,NPS:A:602,valid,,,,,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,MLI:A:609,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:608,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:607,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:606,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,SIN:A:603,invalid,,,,,C(CC(=O)O)C(=O)O,
,,5DBY,,,,,,,
,,,MLI:A:607,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:605,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:603,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:604,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:606,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:613,invalid,,,,,CC(=O)[O-],
,,,ACT:A:617,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:612,invalid,,,,,CC(=O)[O-],
,,,FMT:A:614,invalid,,,,,C(=O)O,
,,,FMT:A:615,invalid,,,,,C(=O)O,
,,,NPS:A:602,valid,Ka,=,7730000,M^-1,C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,
,,,SIN:A:608,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,LMR:A:616,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,DIF:A:601,valid,Ka,=,39000,M^-1,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,4ZBQ,,,,,,,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,DIF:A:601,valid,Ka,=,39000,M^-1,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,DIF:A:602,valid,Ka,=,39000,M^-1,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,SIN:A:604,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,TLA:A:607,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,LMR:A:606,invalid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,6OCJ,,,,,,,
,,,MLI:A:602,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,M5A:A:601,valid,Ka,=,41100,M^-1,C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O,
,,,SIN:A:603,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6HZG,,,,,,,
,,,CL:A:904,invalid,,,,,[Cl-],
,,,GTR:A:903,valid,,,,,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,GTR:A:902,valid,,,,,[C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,NA:A:905,Part of Protein,,,,,[Na+],
,,,ADA:A:901,valid,,,,,[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,
,Family. Representative Entry is ,6LF2,,,,,,,
,,,BGC GAL NGA GAL:D:1,valid,Kd,=,0.1,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL NGA GAL:C:1,valid,Kd,=,0.1,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,3UNN,,,,,,,
,,,MET GLU ASP TPO GLN ALA ILE ASP:B:1,valid,Kd,=,40,uM,S(CCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(CC)C)C)CCC(=O)N)C(OP(=O)([O-])[O-])C)CC(=O)[O-])CCC(=O)[O-])C,
,,3UOT,,,,,,,
,,,MET GLU ASP TPO GLN MSE ILE ASP TRP ASP:D:2,valid,,,,,[Se](CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)[O-])C(OP(=O)([O-])[O-])C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])C(CC)C)C,
,,,MET GLU ASP TPO GLN MSE ILE ASP TRP ASP:E:2,valid,,,,,[Se](CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)[O-])C(OP(=O)([O-])[O-])C)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])C(CC)C)C,
,Family. Representative Entry is ,6TVB,,,,,,,
,,,EDO:C:410,invalid,,,,,C(CO)O,
,,,EDO:C:409,invalid,,,,,C(CO)O,
,,,EDO:F:203,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:C:412,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:C:411,invalid,,,,,C(CO)O,
,,,EDO:C:406,invalid,,,,,C(CO)O,
,,,EDO:C:408,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:F:201,invalid,,,,,C(CO)O,
,,,EDO:C:407,invalid,,,,,C(CO)O,
,,,NAG:B:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6TXO,,,,,,,
,,,SIA:E:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,GAL SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,4D00,,,,,,,
,,,NAG:E:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NI:D:1179,Part of Protein,,,,,[Ni+2],
,,,NI:B:1178,Part of Protein,,,,,[Ni+2],
,,,NI:A:1321,Part of Protein,,,,,[Ni+2],
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5TH1,,,,,,,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:G:1,invalid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6TVT,,,,,,,
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6TVS,,,,,,,
,,,EDO:K:404,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:E:406,invalid,,,,,C(CO)O,
,,,EDO:K:403,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:F:202,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:L:202,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:K:405,invalid,,,,,C(CO)O,
,,,EDO:F:201,invalid,,,,,C(CO)O,
,,,CA:K:406,Part of Protein,,,,,[Ca+2],
,,,GAL SIA:A:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG:E:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:203,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4CYZ,,,,,,,
,,,EDO:E:1326,invalid,,,,,C(CO)O,
,,,EDO:A:1327,invalid,,,,,C(CO)O,
,,,EDO:E:1328,invalid,,,,,C(CO)O,
,,,EDO:E:1327,invalid,,,,,C(CO)O,
,,,EDO:F:1174,invalid,,,,,C(CO)O,
,,,EDO:A:1328,invalid,,,,,C(CO)O,
,,,EDO:F:1173,invalid,,,,,C(CO)O,
,,,EDO:B:1173,invalid,,,,,C(CO)O,
,,,EDO:A:1326,invalid,,,,,C(CO)O,
,,,EDO:C:1327,invalid,,,,,C(CO)O,
,,,EDO:C:1326,invalid,,,,,C(CO)O,
,,,NAG:B:208,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:420,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:420,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:211,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,6TWI,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,CA:E:405,Part of Protein,,,,,[Ca+2],
,,,CA:C:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6TVA,,,,,,,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN:I:1,invalid,,,,,,
,,5TGU,,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG NAG BMA MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5EPK,,,,,,,
,,,UNX:A:106,invalid,,,,,*,
,,,UNX:A:105,invalid,,,,,*,
,,,UNX:A:104,invalid,,,,,*,
,,,UNX:A:103,invalid,,,,,*,
,,,UNX:A:108,invalid,,,,,*,
,,,UNX:A:102,invalid,,,,,*,
,,,UNX:A:107,invalid,,,,,*,
,,,UNX:A:101,invalid,,,,,*,
,,,5R0 PHE ALA LEU ELY 5R5:B:0,valid,Kd,=,1.8,uM,O=C(OC)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)c1ccc(C(C)(C)C)cc1)Cc1ccccc1)C)CC(C)C)CCCC[NH+](CC)CC)CO,
,Family. Representative Entry is ,5ZQ4,,,,,,,
,,,AMP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1EWF,,,,,,,
,,,PC1:A:577,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:578,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,1BP1,,,,,,,
,,,PC1:A:777,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:778,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,5OYA,,,,,,,
,,,MG:J:201,invalid,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:G:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,MG:H:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:N:201,invalid,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,,CAP:C:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:D:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:G:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:A:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:F:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:E:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:B:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,CAP:H:502,valid,,,,,C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O,
,,,EDO:O:201,invalid,,,,,C(CO)O,
,,,EDO:L:203,invalid,,,,,C(CO)O,
,,,EDO:M:202,invalid,,,,,C(CO)O,
,,,EDO:L:201,invalid,,,,,C(CO)O,
,,,EDO:I:201,invalid,,,,,C(CO)O,
,,,EDO:N:204,invalid,,,,,C(CO)O,
,,,EDO:J:204,invalid,,,,,C(CO)O,
,,,EDO:K:201,invalid,,,,,C(CO)O,
,,,EDO:N:203,invalid,,,,,C(CO)O,
,,,EDO:N:202,invalid,,,,,C(CO)O,
,,,EDO:M:201,invalid,,,,,C(CO)O,
,,,EDO:O:202,invalid,,,,,C(CO)O,
,,,EDO:I:202,invalid,,,,,C(CO)O,
,,,EDO:P:203,invalid,,,,,C(CO)O,
,,,EDO:L:202,invalid,,,,,C(CO)O,
,,,EDO:I:203,invalid,,,,,C(CO)O,
,,,EDO:O:203,invalid,,,,,C(CO)O,
,,,EDO:P:201,invalid,,,,,C(CO)O,
,,,EDO:M:203,invalid,,,,,C(CO)O,
,,,EDO:P:202,invalid,,,,,C(CO)O,
,,,EDO:J:203,invalid,,,,,C(CO)O,
,,,EDO:J:202,invalid,,,,,C(CO)O,
,,,EDO:K:203,invalid,,,,,C(CO)O,
,,,EDO:K:202,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2YDW,,,,,,,
,,,SO4:B:1183,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,WSH:A:1183,valid,Kd,=,46,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,,WSH:B:1182,valid,Kd,=,46,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,,WSH:C:1183,valid,Kd,=,46,nM,Cc1nnc2n1-c3ccccc3C(=N[C@H]2NC(=O)OCc4ccccc4)c5ccccc5,
,,4A9I,,,,,,,
,,,EDO:B:1187,invalid,,,,,C(CO)O,
,,,P9I:A:1185,valid,,,,,C/C(=C/1C=C(c2[n+]1cccc2)c3ccccn3)/O,
,,,P9I:B:1188,valid,,,,,C/C(=C/1C=C(c2[n+]1cccc2)c3ccccn3)/O,
,,,P9I:C:1183,valid,,,,,C/C(=C/1C=C(c2[n+]1cccc2)c3ccccn3)/O,
,,,SO4:A:1186,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4UYH,,,,,,,
,,,SO4:B:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:C:1182,invalid,,,,,CS(=O)C,
,,,9S3:A:1184,valid,ic50,=,0.00000001,M,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5,
,,,9S3:B:1183,valid,ic50,=,0.00000001,M,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)CN4CCCCC4)Nc5ccccc5,
,,4A9H,,,,,,,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,EDO:A:1188,invalid,,,,,C(CO)O,
,,,SO4:A:1190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TVP:A:1189,valid,,,,,C[C@H]1CCc2ccccc2N1C(=O)C,
,,,TVP:B:1183,valid,,,,,C[C@H]1CCc2ccccc2N1C(=O)C,
,,,TVP:C:1183,valid,,,,,C[C@H]1CCc2ccccc2N1C(=O)C,
,,4A9F,,,,,,,
,,,EDO:B:1186,invalid,,,,,C(CO)O,
,,,MB3:A:1183,valid,,,,,CN1CCCC1=O,
,,,MB3:B:1187,valid,,,,,CN1CCCC1=O,
,,,MB3:C:1183,valid,,,,,CN1CCCC1=O,
,,,SO4:A:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ALG,,,,,,,
,,,1GH:A:1146,valid,ic50,=,0.5,uM,Cc1c(c(on1)C)c2cc3c(cc2OC)c4c(cn3)NC(=O)N4[C@H](C)c5ccccn5,
,,,ACT:A:1144,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1145,invalid,,,,,C(C(CO)O)O,
,,2YEK,,,,,,,
,,,EAM:A:1188,valid,ic50,=,32.5,nM,CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,EAM:B:1183,valid,ic50,=,32.5,nM,CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,EAM:C:1183,valid,ic50,=,32.5,nM,CCNC(=O)C[C@H]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)OC)C,
,,,SO4:C:1182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A9J,,,,,,,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,EDO:B:1186,invalid,,,,,C(CO)O,
,,,EDO:C:1183,invalid,,,,,C(CO)O,
,,,SO4:A:1189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1186,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYL:A:1188,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,TYL:B:1187,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,,TYL:C:1184,valid,,,,,CC(=O)Nc1ccc(cc1)O,
,,4A9M,,,,,,,
,,,P9M:A:1187,valid,ic50,=,0.5,uM,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C,
,,,P9M:B:1187,valid,ic50,=,0.5,uM,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C,
,,,P9M:C:1183,valid,ic50,=,0.5,uM,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3C)C,
,,,SO4:A:1188,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4ALH,,,,,,,
,,,A9P:A:1185,valid,,,,,Cc1c(c(on1)C)c2ccccc2,
,,,A9P:B:1184,valid,,,,,Cc1c(c(on1)C)c2ccccc2,
,,,A9P:C:1183,valid,,,,,Cc1c(c(on1)C)c2ccccc2,
,,,EDO:A:1183,invalid,,,,,C(CO)O,
,,,EDO:A:1184,invalid,,,,,C(CO)O,
,,,SO4:A:1186,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1187,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1185,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A9E,,,,,,,
,,,3PF:A:1000,valid,,,,,CN1Cc2ccccc2NC1=O,
,,,3PF:B:1000,valid,,,,,CN1Cc2ccccc2NC1=O,
,,,3PF:C:1000,valid,,,,,CN1Cc2ccccc2NC1=O,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,EDO:A:1188,invalid,,,,,C(CO)O,
,,,EDO:B:1186,invalid,,,,,C(CO)O,
,,,EDO:B:1187,invalid,,,,,C(CO)O,
,,,SO4:A:1190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A9O,,,,,,,
,,,A9O:A:1190,valid,,,,,CCc1c(c(no1)C)c2ccccc2,
,,,A9O:B:1185,valid,,,,,CCc1c(c(no1)C)c2ccccc2,
,,,A9O:C:1183,valid,,,,,CCc1c(c(no1)C)c2ccccc2,
,,,EDO:A:1189,invalid,,,,,C(CO)O,
,,,EDO:B:1184,invalid,,,,,C(CO)O,
,,,SO4:A:1191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4AKN,,,,,,,
,,,DMS:C:1183,invalid,,,,,CS(=O)C,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,S5B:A:1188,valid,ic50,=,0.79,uM,Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O,
,,,S5B:B:1184,valid,ic50,=,0.79,uM,Cc1c(c(on1)C)c2ccc3c(c2)ncc(c3Nc4ccccc4C(C)(C)C)C(=O)O,
,,,SO4:A:1189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A9N,,,,,,,
,,,A9N:A:1190,valid,ic50,=,1.5,uM,Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C,
,,,A9N:B:1189,valid,ic50,=,1.5,uM,Cc1ccc(cc1S(=O)(=O)NC2C=C2)c3c(noc3C)C,
,,,DMS:C:1183,invalid,,,,,CS(=O)C,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,EDO:A:1188,invalid,,,,,C(CO)O,
,,,EDO:A:1189,invalid,,,,,C(CO)O,
,,,EDO:B:1187,invalid,,,,,C(CO)O,
,,,EDO:B:1188,invalid,,,,,C(CO)O,
,,,EDO:C:1184,invalid,,,,,C(CO)O,
,,,SO4:A:1191,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1185,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4N7U,,,,,,,
,,,2JA:A:501,valid,Kd,=,0.51,uM,C/C(=CCCP(=O)(O)OP(=O)(O)O)/CO,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,5ZXK,,,,,,,
,,,H6P:A:501,valid,Kd,=,3.3,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,5LYK,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,FLC:A:601,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5LYG,,,,,,,
,,,MLI:A:604,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6JKZ,,,,,,,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,1PS:A:502,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:503,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,6JL2,,,,,,,
,,,P6G:C:501,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:501,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:501,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,1PS:A:504,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:502,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:502,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:502,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:B:503,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:C:503,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,,,1PS:A:503,valid,,,,,c1cc[n+](cc1)CCCS(=O)(=O)[O-],
,Family. Representative Entry is ,6FAA,,,,,,,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:1001,valid,Kd,=,179,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EOH:A:1007,invalid,,,,,CCO,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,6FA5,,,,,,,
,,,PEG:A:1003,invalid,,,,,C(COCCO)O,
,,,ADP:A:1001,valid,Kd,=,179,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,6FAC,,,,,,,
,,,CL:A:1005,invalid,,,,,[Cl-],
,,,CL:A:1004,invalid,,,,,[Cl-],
,,,CL:A:1003,invalid,,,,,[Cl-],
,,,CL:A:1006,invalid,,,,,[Cl-],
,,,ADP:A:1001,valid,Kd,=,179,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5OFI,,,,,,,
,,,9TQ:B:202,valid,Kd,=,62.7,uM,c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O,
,,,9TQ:C:202,valid,Kd,=,62.7,uM,c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O,
,,,9TQ:A:202,valid,Kd,=,62.7,uM,c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O,
,,,9TQ:D:202,valid,Kd,=,62.7,uM,c1cc(c(cc1NC(=S)NCCO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)O)C3c4ccc(cc4OC5=C3C=CC(=O)C5)O,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:E:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,CA:H:201,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:C:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,5OFX,,,,,,,
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:F:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,,,CA:G:201,Part of Protein,,,,,[Ca+2],
,,,FRU GLC GLA:L:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:M:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:J:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:O:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:I:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:K:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,FRU GLC GLA:N:1,valid,ic50,=,0.11,mM,O(CC1C(O)C(O)C(O)C(OC2(CO)C(O)C(O)C(CO)O2)O1)C1C(O)C(O)C(O)C(CO)O1,
,,5ODU,,,,,,,
,,,AMG:B:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:A:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:F:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:E:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:D:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:C:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:G:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:H:201,valid,ic50,=,0.52,mM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:E:202,Part of Protein,,,,,[Ca+2],
,,,CA:F:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:H:202,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5G6U,,,,,,,
,,,TRP:A:1331,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:D:1330,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:1334,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,EU:A:1328,invalid,,,,,[Eu+2],
,,,EU:A:2000,invalid,,,,,[Eu+2],
,,,EU:C:1329,invalid,,,,,[Eu+2],
,,,EU:B:2000,invalid,,,,,[Eu+2],
,,,EU:C:1328,invalid,,,,,[Eu+2],
,,,EU:B:1327,invalid,,,,,[Eu+2],
,,,CL:D:1327,invalid,,,,,[Cl-],
,,,CL:C:1332,invalid,,,,,[Cl-],
,,,CL:B:1333,invalid,,,,,[Cl-],
,,,CL:A:1330,invalid,,,,,[Cl-],
,,,CL:B:1330,invalid,,,,,[Cl-],
,,,CL:B:1331,invalid,,,,,[Cl-],
,,,CL:B:1329,invalid,,,,,[Cl-],
,,,CL:B:1332,invalid,,,,,[Cl-],
,,,CL:C:1331,invalid,,,,,[Cl-],
,,,CL:D:1329,invalid,,,,,[Cl-],
,,,CL:D:1328,invalid,,,,,[Cl-],
,,,CL:C:1330,invalid,,,,,[Cl-],
,,,CA:A:1329,Part of Protein,,,,,[Ca+2],
,,,CA:B:1328,Part of Protein,,,,,[Ca+2],
,,,CA:C:1327,Part of Protein,,,,,[Ca+2],
,,,CA:D:1326,Part of Protein,,,,,[Ca+2],
,,,SGN:C:1326,valid,ic50,=,0.22,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O,
,,,SGN:A:1327,valid,ic50,=,0.22,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O,
,,,SGN:B:1326,valid,ic50,=,0.22,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O,
,,,SGN:D:1325,valid,ic50,=,0.22,uM,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,4X3S,,,,,,,
,,,FE  CIT:A:101,invalid,,,,,O=C([O-])CC12C(=O)O[Fe-](OC(=O)C1)O2,
,,,FE  CIT:B:101,invalid,,,,,O=C([O-])CC12C(=O)O[Fe-](OC(=O)C1)O2,
,,,ARG GLY PHE ALA LEU M3L SER THR HIS GLY:C:1165,valid,Kd,=,1.3,uM,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccccc1)C)CC(C)C)CCCC[N+](C)(C)C)CO)C(O)C,
,,,ARG GLY PHE ALA LEU M3L SER THR HIS GLY:D:1165,valid,Kd,=,1.3,uM,O=C(NC(C=O)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCCNC(=[NH2+])N)Cc1ccccc1)C)CC(C)C)CCCC[N+](C)(C)C)CO)C(O)C,
,,,CIT:A:103,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:102,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4X3T,,,,,,,
,,,ZN:A:102,Part of Protein,,,,,[Zn+2],
,,,ZN:E:102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:102,Part of Protein,,,,,[Zn+2],
,,,ZN:B:102,Part of Protein,,,,,[Zn+2],
,,,ZN:D:103,Part of Protein,,,,,[Zn+2],
,,,ZN:C:102,Part of Protein,,,,,[Zn+2],
,,,ZN:A:103,Part of Protein,,,,,[Zn+2],
,,,ZN:C:103,Part of Protein,,,,,[Zn+2],
,,,ZN:F:102,Part of Protein,,,,,[Zn+2],
,,,45E:E:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,45E:D:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,45E:C:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,45E:B:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,45E:A:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,45E:F:101,valid,Kd,=,28.9,uM,Cc1cccc(c1)OCC(=O)N2CCN(CC2)C(=O)c3cccc(c3OC)OC,
,,,EDO:F:103,invalid,,,,,C(CO)O,
,,4X3U,,,,,,,
,,,SVR:B:101,valid,ic50,=,8.1,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,SVR:B:102,valid,ic50,=,8.1,uM,Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,4X3K,,,,,,,
,,,NI:B:101,Part of Protein,,,,,[Ni+2],
,,,NI:A:101,Part of Protein,,,,,[Ni+2],
,,,LYS ALA ALA ARG M3L SER ALA:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CO)CCCC[N+](C)(C)C)CCCNC(=[NH2+])N)C)C)C([NH3+])CCCC[NH3+],
,,,LYS ALA ALA ARG M3L SER ALA:C:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)CO)CCCC[N+](C)(C)C)CCCNC(=[NH2+])N)C)C)C([NH3+])CCCC[NH3+],
,,,K:B:102,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,3H7J,,,,,,,
,,,CO:A:244,Part of Protein,,,,,[Co+2],
,,,CO:A:245,Part of Protein,,,,,[Co+2],
,,,CO:B:244,Part of Protein,,,,,[Co+2],
,,,CO:B:245,Part of Protein,,,,,[Co+2],
,,,FE:A:247,Part of Protein,,,,,[Fe+3],
,,,FE:A:248,Part of Protein,,,,,[Fe+3],
,,,PPY:A:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,3H7Y,,,,,,,
,,,CO:A:244,Part of Protein,,,,,[Co+2],
,,,CO:A:245,Part of Protein,,,,,[Co+2],
,,,CO:B:244,Part of Protein,,,,,[Co+2],
,,,CO:B:245,Part of Protein,,,,,[Co+2],
,,,FE:B:247,Part of Protein,,,,,[Fe+3],
,,,PPY:A:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,Family. Representative Entry is ,6DEW,,,,,,,
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FOH:D:303,valid,,,,,CC(=CCC/C(=CCC/C(=CCO)/C)/C)C,
,,,N1S:A:303,valid,,,,,CC(=CCC/C(=C/CC/C(=CCO)/C)/C)C,
,,,64Z:D:302,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,64Z:A:302,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,64Z:B:302,valid,,,,,CC(=CCC/C(=C/CO)/C)C,
,,,FOF:A:304,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,
,Family. Representative Entry is ,6W70,,,,,,,
,,,GG2:C:201,valid,,,,,COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O,
,,,GG2:A:303,valid,,,,,COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2C9E,,,,,,,
,,,CLA:A:1327,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:1328,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,DGD:A:1332,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGD:A:1336,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,MG:A:1337,Part of Protein,,,,,[Mg+2],
,,,PID:A:1329,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:A:1330,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:A:1331,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:A:1333,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:A:1334,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,,,PID:A:1335,valid,,,,,CC(=CC=CC=CC=C(/C)C=C/1C=C(C(=O)O1)C=C[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C)(C)C,
,Family. Representative Entry is ,3FPF,,,,,,,
,,,BR:B:299,invalid,,,,,[Br-],
,,,BR:B:302,invalid,,,,,[Br-],
,,,MTA:A:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:301,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,TNA:A:300,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,,TNA:B:300,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,3FPJ,,,,,,,
,,,B3P:B:302,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,BR:A:299,invalid,,,,,[Br-],
,,,BR:A:300,invalid,,,,,[Br-],
,,,BR:B:299,invalid,,,,,[Br-],
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3FPE,,,,,,,
,,,BR:B:300,invalid,,,,,[Br-],
,,,BR:B:301,invalid,,,,,[Br-],
,,,TNA:A:299,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,,TNA:B:299,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,3FPH,,,,,,,
,,,GLU:A:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:302,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:A:299,Part of Protein,,,,,[Na+],
,,,NA:B:299,Part of Protein,,,,,[Na+],
,,3O31,,,,,,,
,,,3O3:A:1,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,,3O3:B:1,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)N,
,,,BR:A:298,invalid,,,,,[Br-],
,,,BR:A:299,invalid,,,,,[Br-],
,,,BR:A:300,invalid,,,,,[Br-],
,,,BR:A:301,invalid,,,,,[Br-],
,,,BR:B:298,invalid,,,,,[Br-],
,,,BR:B:299,invalid,,,,,[Br-],
,Family. Representative Entry is ,6MS1,,,,,,,
,,,EDO:B:1001,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:901,invalid,,,,,C(CO)O,
,,,GLY SER TYR LEU VAL THR SER VAL:D:145,valid,Kd,=,5970,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(O)C)CO)C(C)C,
,,,GLY SER TYR LEU VAL THR SER VAL:C:192,valid,Kd,=,5970,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CO)Cc1ccc(O)cc1)CC(C)C)C(C)C)C(O)C)CO)C(C)C,
,Family. Representative Entry is ,5IDB,,,,,,,
,,,BMA:A:1003,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1003,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:1001,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1001,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,NHE:A:1004,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,MAN:B:1002,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1002,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,5IDA,,,,,,,
,,,BMA:A:201,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:201,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:D:201,valid,Ka,=,2000,M^-1,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,5MH1,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,BMA:A:202,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,5D2R,,,,,,,
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:521,invalid,,,,,[I-],
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,56W:A:523,valid,Ki,=,1.5,uM,CC(=O)N[C@H](CCP(=O)(C[C@H](CCC[C@H](C(=O)O)N)C(=O)O)O)C(=O)O,
,,4WCK,,,,,,,
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:531,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:521,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:530,invalid,,,,,[I-],
,,,IOD:A:525,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:532,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:524,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:526,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:523,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:527,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,IOD:A:528,invalid,,,,,[I-],
,,,API:A:533,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,4WCL,,,,,,,
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:521,invalid,,,,,[I-],
,,,IOD:A:530,invalid,,,,,[I-],
,,,IOD:A:532,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:523,invalid,,,,,[I-],
,,,IOD:A:528,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:531,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:525,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:524,invalid,,,,,[I-],
,,,IOD:A:534,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:533,invalid,,,,,[I-],
,,,IOD:A:526,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:527,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,NA:A:536,invalid,,,,,[Na+],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,API:A:535,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,4Q6Q,,,,,,,
,,,API:A:505,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,ZN:A:501,invalid,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,CA:A:503,invalid,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,4Q6O,,,,,,,
,,,API:A:504,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,4WCM,,,,,,,
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:521,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:536,invalid,,,,,[I-],
,,,IOD:A:530,invalid,,,,,[I-],
,,,IOD:A:535,invalid,,,,,[I-],
,,,IOD:A:532,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:523,invalid,,,,,[I-],
,,,IOD:A:528,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:531,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:525,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:524,invalid,,,,,[I-],
,,,IOD:A:534,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:533,invalid,,,,,[I-],
,,,IOD:A:526,invalid,,,,,[I-],
,,,IOD:A:537,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:527,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,API:A:543,valid,,,,,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,ZN:A:538,Part of Protein,,,,,[Zn+2],
,,,ZN:A:541,Part of Protein,,,,,[Zn+2],
,,,ZN:A:540,Part of Protein,,,,,[Zn+2],
,,,ZN:A:539,Part of Protein,,,,,[Zn+2],
,,,PO4:A:542,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4WCN,,,,,,,
,,,IOD:A:517,invalid,,,,,[I-],
,,,IOD:A:521,invalid,,,,,[I-],
,,,IOD:A:540,invalid,,,,,[I-],
,,,IOD:A:503,invalid,,,,,[I-],
,,,IOD:A:536,invalid,,,,,[I-],
,,,IOD:A:530,invalid,,,,,[I-],
,,,IOD:A:535,invalid,,,,,[I-],
,,,IOD:A:532,invalid,,,,,[I-],
,,,IOD:A:518,invalid,,,,,[I-],
,,,IOD:A:508,invalid,,,,,[I-],
,,,IOD:A:539,invalid,,,,,[I-],
,,,IOD:A:509,invalid,,,,,[I-],
,,,IOD:A:523,invalid,,,,,[I-],
,,,IOD:A:528,invalid,,,,,[I-],
,,,IOD:A:506,invalid,,,,,[I-],
,,,IOD:A:538,invalid,,,,,[I-],
,,,IOD:A:531,invalid,,,,,[I-],
,,,IOD:A:515,invalid,,,,,[I-],
,,,IOD:A:522,invalid,,,,,[I-],
,,,IOD:A:501,invalid,,,,,[I-],
,,,IOD:A:520,invalid,,,,,[I-],
,,,IOD:A:513,invalid,,,,,[I-],
,,,IOD:A:505,invalid,,,,,[I-],
,,,IOD:A:525,invalid,,,,,[I-],
,,,IOD:A:512,invalid,,,,,[I-],
,,,IOD:A:541,invalid,,,,,[I-],
,,,IOD:A:516,invalid,,,,,[I-],
,,,IOD:A:524,invalid,,,,,[I-],
,,,IOD:A:534,invalid,,,,,[I-],
,,,IOD:A:511,invalid,,,,,[I-],
,,,IOD:A:507,invalid,,,,,[I-],
,,,IOD:A:533,invalid,,,,,[I-],
,,,IOD:A:526,invalid,,,,,[I-],
,,,IOD:A:537,invalid,,,,,[I-],
,,,IOD:A:519,invalid,,,,,[I-],
,,,IOD:A:510,invalid,,,,,[I-],
,,,IOD:A:502,invalid,,,,,[I-],
,,,IOD:A:529,invalid,,,,,[I-],
,,,IOD:A:514,invalid,,,,,[I-],
,,,IOD:A:527,invalid,,,,,[I-],
,,,IOD:A:504,invalid,,,,,[I-],
,,,NA:A:543,invalid,,,,,[Na+],
,,,NA:A:544,Part of Protein,,,,,[Na+],
,,,ZN:A:542,Part of Protein,,,,,[Zn+2],
,,,3KS:A:545,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C,
,,4Q6N,,,,,,,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,MHI:A:501,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,1O4T,,,,,,,
,,,MN:A:300,Part of Protein,,,,,[Mn+2],
,,,MN:B:301,Part of Protein,,,,,[Mn+2],
,,,OXL:A:400,valid,,,,,C(=O)(C(=O)[O-])[O-],
,,,OXL:B:401,valid,,,,,C(=O)(C(=O)[O-])[O-],
,Family. Representative Entry is ,4GK9,,,,,,,
,,,IMD:A:322,invalid,,,,,c1c[nH+]c[nH]1,
,,,NA:A:321,Part of Protein,,,,,[Na+],
,,,BMA MAN MAN MAN MAN:B:1,valid,Kd,=,47,uM,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:D:1,valid,Kd,=,47,uM,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:E:1,valid,Kd,=,47,uM,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:C:1,valid,Kd,=,47,uM,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,Family. Representative Entry is ,6O0F,,,,,,,
,,,9SL:A:901,valid,Kd,=,0.2,nM,C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N,
,,,9SL:B:901,valid,Kd,=,0.2,nM,C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N,
,,6O0E,,,,,,,
,,,9SL:A:901,valid,Kd,=,0.2,nM,C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N,
,,,9SL:B:901,valid,Kd,=,0.2,nM,C1CN2C(=N[C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)COC(=O)N)N,
,Family. Representative Entry is ,4FER,,,,,,,
,,,ACY:A:301,invalid,,,,,CC(=O)O,
,,,ACY:B:301,invalid,,,,,CC(=O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,4FG2,,,,,,,
,,,ACY:A:301,invalid,,,,,CC(=O)O,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,BGC BGC BGC BGC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4FFT,,,,,,,
,,,ACY:A:302,invalid,,,,,CC(=O)O,
,,,ACY:A:303,invalid,,,,,CC(=O)O,
,,,ACY:B:309,invalid,,,,,CC(=O)O,
,,,ACY:B:310,invalid,,,,,CC(=O)O,
,,,BGC BGC BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(OC5C(O)C(OC6C(O)C(O)C(O)OC6CO)OC(CO)C5O)OC4CO)OC3CO)OC2CO)OC(CO)C1O)C1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4G86,,,,,,,
,,,1PE:A:302,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2PE:A:303,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,BNT:A:301,valid,,,,,CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br,
,,,BNT:A:304,valid,,,,,CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br,
,,,BNT:B:1301,valid,,,,,CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br,
,,,BNT:B:1302,valid,,,,,CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br,
,,,GOL:B:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1304,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6ULY,,,,,,,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QA7:A:701,valid,,,,,CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,QA7:B:702,valid,,,,,CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6ULX,,,,,,,
,,,SO4:A:716,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:717,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:718,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:712,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:715,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:713,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:711,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:714,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,QA7:A:701,valid,,,,,CC(C)CC(=O)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6H6O,,,,,,,
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:208,Part of Protein,,,,,[Ca+2],
,,,CA:A:207,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,invalid,,,,,[Ca+2],
,,,LMR:A:201,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,LMR:A:203,valid,,,,,C([C@@H](C(=O)O)O)C(=O)O,
,,,PEG:B:201,invalid,,,,,C(COCCO)O,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6GVZ,,,,,,,
,,,CHO:A:600,valid,Kd,=,0.4,uM,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,6GW0,,,,,,,
,,,TUD:A:600,valid,Kd,=,0.000000064,M,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,Family. Representative Entry is ,4CS9,,,,,,,
,,,AMP:A:1172,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1171,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1174,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:1175,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,ZN:E:1178,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1173,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1171,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1170,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5ACM,,,,,,,
,,,SO4:A:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:1113,invalid,,,,,C(C(CO)O)O,
,,,MBT:A:1111,valid,,,,,CN(C)c1ccc2c(c1)[s+]c3cc(ccc3n2)N(C)C,
,,5ACL,,,,,,,
,,,SO4:A:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SAS:A:1111,valid,,,,,c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)C(=O)O)O,
,Family. Representative Entry is ,2ZFN,,,,,,,
,,,ACO:A:500,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4WCX,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:C:505,Part of Protein,,,,,[Na+],
,,,NA:C:506,Part of Protein,,,,,[Na+],
,,,SF4:C:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,H2S:C:504,invalid,,,,,S,
,,,H2S:A:506,invalid,,,,,S,
,,,FE:A:504,Part of Protein,,,,,[Fe+3],
,,,SAM:C:503,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ALA:A:505,valid,,,,,C[C@@H](C(=O)O)N,
,,,MET:A:503,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6AGZ,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4A62,,,,,,,
,,,ANP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4WJT,,,,,,,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DMS:A:302,invalid,,,,,CS(=O)C,
,,,DMS:B:303,invalid,,,,,CS(=O)C,
,,,DMS:B:305,invalid,,,,,CS(=O)C,
,,,NAG:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,3P9:B:302,invalid,,,,,C[C@@H](CO)OC[C@H](C)OC[C@@H](C)O,
,,4WLK,,,,,,,
,,,3QL:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O,
,,,3QL:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]2CO[C@@H]1O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O,
,Family. Representative Entry is ,1A0T,,,,,,,
,,,CA:P:10,Part of Protein,,,,,[Ca+2],
,,,CA:Q:10,Part of Protein,,,,,[Ca+2],
,,,CA:R:10,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:E:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:A:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:B:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,Kd,=,50,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3QDC,,,,,,,
,,,BOG:A:241,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,L2P:A:257,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:A:260,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,LFA:A:242,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:243,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:244,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:245,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:246,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:247,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:248,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:249,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:250,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:251,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:252,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:253,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:254,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:255,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:256,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:258,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:259,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:261,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:262,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:263,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:264,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:265,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:266,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:267,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:268,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:269,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:270,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:271,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,LFA:A:272,invalid,,,,,CCCCCCCCCCCCCCCCCCCC,
,,,RET:A:240,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,3LQJ,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:Q:1,valid,Kd,=,4.3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS:T:1,valid,Kd,=,4.3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)C)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:3,Part of Protein,,,,,[Zn+2],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2,Part of Protein,,,,,[Zn+2],
,,3LQI,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:R:1,valid,Kd,=,6.9,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:S:1,valid,Kd,=,6.9,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:T:1,valid,Kd,=,6.9,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2,Part of Protein,,,,,[Zn+2],
,,,ZN:B:3,Part of Protein,,,,,[Zn+2],
,,,ZN:B:4,Part of Protein,,,,,[Zn+2],
,,,ZN:C:5,Part of Protein,,,,,[Zn+2],
,,,ZN:C:6,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5MOB,,,,,,,
,,,A8S:A:301,valid,Kd,=,90,uM,CC1=CC(=O)CC([C@]1(/C=C/C(=CC(=O)O)C)O)(C)C,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6G9X,,,,,,,
,,,BNG:B:508,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:509,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:510,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:509,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:507,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:511,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,JKE:A:507,valid,,,,,c1ccc(c(c1)C(=O)O)S,
,,,JKE:B:506,valid,,,,,c1ccc(c(c1)C(=O)O)S,
,,,EPE:A:508,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,6HCL,,,,,,,
,,,2OP:A:501,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:B:501,valid,,,,,C[C@@H](C(=O)O)O,
,,,2OP:B:502,valid,,,,,C[C@@H](C(=O)O)O,
,,,BNG:A:502,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3OTI,,,,,,,
,,,C0T:A:378,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=CC#C[C@@]3(CC(=O)C(=C2/C3=CCSSSC)NC(=O)OC)O)O)O)NO,
,,,C0T:B:378,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=CC#C[C@@]3(CC(=O)C(=C2/C3=CCSSSC)NC(=O)OC)O)O)O)NO,
,,,CL:A:379,invalid,,,,,[Cl-],
,,,CL:B:379,invalid,,,,,[Cl-],
,,,TYD:A:377,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:377,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1VE3,,,,,,,
,,,SAM:A:302,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,4RLE,,,,,,,
,,,2BA:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,NI:A:202,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5DS8,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY 5CT GLY ALA:P:3,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+],
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:H:302,invalid,,,,,C(CO)O,
,,,EDO:H:301,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6FHQ,,,,,,,
,,,DE5:A:2003,valid,Kd,=,3.4,mM,c1csc(n1)NC(=O)CN,
,,,ZN:B:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2002,Part of Protein,,,,,[Zn+2],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5VKI,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,NGA THR GAL NAG:C:1,valid,,,,,O=C([O-])C(N)C(OC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(NC(=O)C)C(O)C(O)C(CO)O2)O1)C,
,,,NGA THR GAL NAG:D:1,valid,,,,,O=C([O-])C(N)C(OC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(NC(=O)C)C(O)C(O)C(CO)O2)O1)C,
,,5YMS,,,,,,,
,,,NAG:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,A2G GAL NAG:I:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(NC(=O)C)C(O)O1)C,
,,,A2G GAL NAG:J:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(NC(=O)C)C(O)O1)C,
,,5YMT,,,,,,,
,,,GLC GAL NAG GAL:Q:1,valid,,,,,,
,,,GLC GAL NAG GAL:O:1,valid,,,,,,
,,,GLC GAL NAG GAL:P:1,valid,,,,,,
,,5VKS,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GAL NAG GAL FUC:C:1,valid,,,,,,
,,,GLC GAL NAG GAL FUC:D:1,valid,,,,,,
,Family. Representative Entry is ,4WK1,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,2BA:A:201,valid,Kd,=,109,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,4D3H,,,,,,,
,,,2BA:A:110,valid,Kd,=,0.37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:C:110,valid,Kd,=,0.37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:B:110,valid,Kd,=,0.37,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,Family. Representative Entry is ,4PZ2,,,,,,,
,,,EDO:C:602,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:C:604,invalid,,,,,C(CO)O,
,,,EDO:D:602,invalid,,,,,C(CO)O,
,,,EDO:C:603,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:C:605,invalid,,,,,C(CO)O,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:C:601,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,NA:D:601,Part of Protein,,,,,[Na+],
,,,NAD:B:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:D:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:606,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:603,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PEG:A:602,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3NV6,,,,,,,
,,,CAM:A:422,valid,Kd,=,3.1,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:418,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PEG:A:747,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6QIO,,,,,,,
,,,CYS:B:301,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,JG5:D:301,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)COCCOCCNC(=O)CCCS(=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1,
,Family. Representative Entry is ,4D5B,,,,,,,
,,,C8E:A:1333,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1336,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1334,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1328,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1331,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1341,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1328,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1337,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1339,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1334,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1337,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1335,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1332,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1340,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1342,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1333,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1336,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1338,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1329,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1339,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1343,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1329,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1330,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1330,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1338,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1332,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1327,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1335,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1331,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1327,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,4D5D,,,,,,,
,,,C8E:A:1333,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1336,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1333,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1336,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1334,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1328,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1331,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1329,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1328,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1329,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1330,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1330,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1334,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1335,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1332,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1332,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1327,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1331,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1335,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:1327,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,GLC GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,5K04,,,,,,,
,,,MES:B:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,COA:B:202,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4G9N,,,,,,,
,,,NGA:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1NJR,,,,,,,
,,,XYL:A:285,valid,,,,,C([C@@H](C([C@@H](CO)O)O)O)O,
,,1TXZ,,,,,,,
,,,APR:A:285,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,EDO:A:286,invalid,,,,,C(CO)O,
,,,NA:A:289,Part of Protein,,,,,[Na+],
,,,SO4:A:287,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:288,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1TY8,,,,,,,
,,,ADP:A:285,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6BKL,,,,,,,
,,,EU7:G:101,valid,,,,,C[C@@H](C12CC3CC(C1)CC(C3)C2)N,
,,,EU7:C:101,valid,,,,,C[C@@H](C12CC3CC(C1)CC(C3)C2)N,
,,,RIM:D:101,valid,,,,,C[C@H](C12CC3CC(C1)CC(C3)C2)N,
,,,RIM:F:101,valid,,,,,C[C@H](C12CC3CC(C1)CC(C3)C2)N,
,Family. Representative Entry is ,2FKW,,,,,,,
,,,BCL:A:1501,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:A:1701,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:B:1601,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:C:1502,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:C:1702,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:D:1602,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:E:1503,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:E:1703,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:F:1603,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:G:1504,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:G:1704,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:H:1604,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:I:1505,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:I:1705,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:J:1605,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:K:1506,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:K:1706,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1606,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1507,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1707,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:N:1607,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:O:1508,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:O:1708,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:P:1608,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:R:1509,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:R:1709,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:S:1609,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,LDA:A:1816,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1817,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:B:1801,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:C:1815,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:C:1821,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:D:1802,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:E:1822,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:E:1823,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:F:1803,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:G:1814,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:G:1824,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:1804,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:I:1812,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:I:1813,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:I:1825,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:J:1805,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:K:1810,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:K:1826,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1806,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1811,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1827,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:N:1807,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:O:1820,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:P:1808,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:R:1809,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:R:1818,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:R:1819,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,RG1:D:1402,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:F:1403,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:H:1404,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:J:1405,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:L:1406,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:N:1407,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:P:1408,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:R:1401,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,,,RG1:S:1409,valid,,,,,CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)C,
,Family. Representative Entry is ,5G10,,,,,,,
,,,K:B:1379,Part of Protein,,,,,[K+],
,,,K:A:1374,Part of Protein,,,,,[K+],
,,,K:A:1373,Part of Protein,,,,,[K+],
,,,K:B:1380,Part of Protein,,,,,[K+],
,,,ZN:B:1378,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1372,Part of Protein,,,,,[Zn+2],
,,,6DK:A:1375,valid,ic50,=,9.7,nM,c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O,
,,,6DK:B:1381,valid,ic50,=,9.7,nM,c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O,
,,5G11,,,,,,,
,,,ZN:B:1379,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1373,Part of Protein,,,,,[Zn+2],
,,,7H1:B:1378,valid,ic50,=,62,nM,c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,
,,,7H1:A:1372,valid,ic50,=,62,nM,c1ccc(cc1)NC(=O)C(C(C(C(C(C(C(=O)NO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,
,,,K:A:1375,Part of Protein,,,,,[K+],
,,,K:A:1374,Part of Protein,,,,,[K+],
,,,K:B:1381,Part of Protein,,,,,[K+],
,,,K:B:1380,Part of Protein,,,,,[K+],
,,5LI3,,,,,,,
,,,9RB:A:404,valid,ic50,=,0.053,uM,Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,9RB:B:404,valid,ic50,=,0.053,uM,Cc1c(c(n(n1)C)C)/N=N/c2ccc(cc2)/C=C/C(=O)NO,
,,,K:B:402,Part of Protein,,,,,[K+],
,,,K:B:403,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,ZN:B:401,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6PWG,,,,,,,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,ANP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,2HYV,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,CA:A:605,Part of Protein,,,,,[Ca+2],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:A:608,Part of Protein,,,,,[Ca+2],
,,,IDS SGN IDS SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])COC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,2HYU,,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:507,Part of Protein,,,,,[Ca+2],
,,,CA:A:508,Part of Protein,,,,,[Ca+2],
,,,SGN IDS SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,5UF1,,,,,,,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,NAG GAL FUC:D:1,valid,Kd,=,2.6,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:C:1,valid,Kd,=,2.6,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5UF4,,,,,,,
,,,GLC GAL NAG GAL:E:1,valid,Kd,=,160,uM,,
,,,GLC GAL NAG GAL:F:1,valid,Kd,=,160,uM,,
,,,GLC GAL NAG GAL:D:1,valid,Kd,=,160,uM,,
,Family. Representative Entry is ,4PNO,,,,,,,
,,,U5P:A:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3RES,,,,,,,
,,,ADP:B:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:66,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4NDO,,,,,,,
,,,MO:B:316,invalid,,,,,[Mo],
,,,MO:B:307,invalid,,,,,[Mo],
,,,MO:B:318,invalid,,,,,[Mo],
,,,MO:B:303,invalid,,,,,[Mo],
,,,MO:B:308,invalid,,,,,[Mo],
,,,MO:A:309,invalid,,,,,[Mo],
,,,MO:B:309,invalid,,,,,[Mo],
,,,MO:B:311,invalid,,,,,[Mo],
,,,MO:A:307,invalid,,,,,[Mo],
,,,MO:A:305,invalid,,,,,[Mo],
,,,MO:B:305,invalid,,,,,[Mo],
,,,MO:B:306,invalid,,,,,[Mo],
,,,MO:B:310,invalid,,,,,[Mo],
,,,MO:A:308,invalid,,,,,[Mo],
,,,MO:B:313,invalid,,,,,[Mo],
,,,MO:B:312,invalid,,,,,[Mo],
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:B:304,invalid,,,,,[Mo],
,,,MO:B:314,invalid,,,,,[Mo],
,,,MO:B:315,invalid,,,,,[Mo],
,,,MO:B:317,invalid,,,,,[Mo],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:B:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,M10:A:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,PO4:B:319,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4NDQ,,,,,,,
,,,MO:A:305,invalid,,,,,[Mo],
,,,MO:B:305,invalid,,,,,[Mo],
,,,MO:B:303,Part of Protein,,,,,[Mo],
,,,MO:B:304,Part of Protein,,,,,[Mo],
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:A:307,invalid,,,,,[Mo],
,,,8M0:B:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,M10:A:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,6GUJ,,,,,,,
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:B:304,invalid,,,,,[Mo],
,,,MO:B:305,invalid,,,,,[Mo],
,,,MO:A:307,invalid,,,,,[Mo],
,,,MO:A:305,invalid,,,,,[Mo],
,,,MO:B:306,invalid,,,,,[Mo],
,,,MO:B:303,invalid,,,,,[Mo],
,,,MOO:A:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,8M0:B:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6H73,,,,,,,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,GUH:A:304,invalid,,,,,O[Mo]1([O+]2[Mo]([O+]3[Mo]245([O+]1[Mo]([O+]4[Mo]6([O+]5[Mo]3(O6)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)O)(O)(O)(O)O)(O)(O)O,
,,,MOO:A:305,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,FUQ:A:301,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,6H6W,,,,,,,
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:A:305,invalid,,,,,[Mo],
,,,MOO:A:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,FUQ:B:302,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,FUQ:B:303,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6RJ4,,,,,,,
,,,PO4:F:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GX4,,,,,,,
,,,MOO:A:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,FV2:A:303,invalid,,,,,[O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2[Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O2)(O6)([O])[O])([O])([O])[O])[O])([O])([O])[O])([O])[O])[O])([O])([O])[O])([O])[O],
,,,FUQ:B:302,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,FUQ:B:303,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,6RKE,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MOO:B:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:J:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:D:303,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:H:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:L:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,MOO:F:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,8M0:J:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:F:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:K:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:E:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:C:304,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:C:301,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:H:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:G:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:B:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:L:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:I:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,M10:A:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,,M10:G:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,,MG:K:302,Part of Protein,,,,,[Mg+2],
,,,MG:H:302,invalid,,,,,[Mg+2],
,,,MG:L:302,invalid,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:F:302,invalid,,,,,[Mg+2],
,,,MG:D:302,invalid,,,,,[Mg+2],
,,,MG:J:303,invalid,,,,,[Mg+2],
,,,MG:G:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:E:302,Part of Protein,,,,,[Mg+2],
,,,MG:I:302,Part of Protein,,,,,[Mg+2],
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:K:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,LHW:K:304,invalid,,,,,O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O,
,,,LHW:C:305,invalid,,,,,O[Mo]123[O+]4[Mo]56(O[Mo]47(O[Mo]89([O+]1[Mo]1(O8)(O[Mo]48([O+]2[Mo](O4)(O5)(O[Mo]24(O6)([O+2]33[Mo](O7)(O9)(O2)(O[Mo]3(O8)(O1)(O4)O)O)O)(O)O)(O)O)(O)O)(O)O)(O)O)(O)O,
,,,LJB:B:306,invalid,,,,,O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O,
,,,LJB:L:306,invalid,,,,,O[Mo]12[O+]3[Mo]4(O[Mo]56([O+]4[Mo]78([O+2]15[Mo]9(O6)([O+]7[Mo]1(O9)([O+]2[Mo]2(O1)([O+]8[Mo]3(O2)(O)(O)O)(O)O)(O)O)(O)O)O)(O)O)(O)O,
,,6H74,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MOO:A:305,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,FUQ:A:301,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,FUQ:B:302,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,GWW:B:303,invalid,,,,,O[Mo](O)(O)(O)O,
,,,GWN:A:304,invalid,,,,,O[Mo]12(O[Mo]34([O+]1[Mo]567([O+]2[Mo]8(O5)([O+]6[Mo]912([O+]8[Mo]5([O+]9[Mo]6(O5)([O+]1[Mo]([O+]73)(O4)(O6)(O2)O)(O)O)(O)(O)O)O)(O)O)O)(O)O)(O)O,
,,6RIS,,,,,,,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GU5,,,,,,,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8M0:A:301,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:304,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MOO:A:305,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,6H8H,,,,,,,
,,,PO4:B:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MOO:A:304,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,GX2:B:303,invalid,,,,,O[Mo]12O[Mo]345O[Mo]6(O3)(O[Mo]78(O1)O[Mo]9(O7)(O[Mo]13(O2)O[Mo](O1)(O4)(O[Mo]124(O[Mo]7(O[Mo]%10(O6)(O[Mo](O8)(O%10)(O[Mo]6(O7)(O9)(O[Mo](O3)(O6)(O1)(O)O)O)(O)O)(O[Mo](O5)(O2)(O4)(O)O)O)O)O)(O)O)(O)O)(O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,FUQ:B:302,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,M27:A:305,invalid,,,,,[O-][Mo]1(O[Mo](O1)([O-])([O-])([O-])[O-])([O-])([O-])[O-],
,,,8M0:B:301,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GWB,,,,,,,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4NDP,,,,,,,
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MO:B:316,invalid,,,,,[Mo],
,,,MO:B:307,invalid,,,,,[Mo],
,,,MO:B:318,invalid,,,,,[Mo],
,,,MO:B:303,invalid,,,,,[Mo],
,,,MO:B:308,invalid,,,,,[Mo],
,,,MO:A:309,invalid,,,,,[Mo],
,,,MO:B:309,invalid,,,,,[Mo],
,,,MO:B:311,invalid,,,,,[Mo],
,,,MO:A:307,invalid,,,,,[Mo],
,,,MO:A:305,invalid,,,,,[Mo],
,,,MO:B:305,invalid,,,,,[Mo],
,,,MO:B:306,invalid,,,,,[Mo],
,,,MO:B:310,invalid,,,,,[Mo],
,,,MO:A:308,invalid,,,,,[Mo],
,,,MO:B:313,invalid,,,,,[Mo],
,,,MO:B:312,invalid,,,,,[Mo],
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:B:304,invalid,,,,,[Mo],
,,,MO:B:314,invalid,,,,,[Mo],
,,,MO:B:315,invalid,,,,,[Mo],
,,,MO:B:317,invalid,,,,,[Mo],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,M10:A:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,,8M0:B:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:A:302,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,PO4:B:319,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6H8B,,,,,,,
,,,J8E:B:303,invalid,,,,,O[Mo]O[Mo]1(O[Mo](O1[Mo]O)([O])([O])[O])([O])[O],
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,J7N:B:302,invalid,,,,,O[Mo]1O[Mo](O1)(O)O,
,,,FUQ:B:304,invalid,,,,,O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)O,
,,,J7T:B:301,invalid,,,,,[O][Mo]([O])([O])O[Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]89(O5[Mo]1(O8)(O[Mo]2(O1[Mo]1(O63[Mo](O12)(O4)(O7)([O])[O])(O9)[O])([O])([O])[O])([O])[O])([O])[O])[O])([O])[O])([O])[O],
,,,J7Q:A:301,invalid,,,,,O[Mo]O[Mo]1(O[Mo](O[Mo](O[Mo](O1)([O])([O])([O])O[Mo]([O])([O])([O])[O])([O])([O])([O])[O])([O])([O])([O])O[Mo]([O])([O])[O])[O],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,J85:A:305,invalid,,,,,O[Mo]O([Mo]O)[Mo](=O)([O])O([Mo]O)[Mo]([O])([O])([O])[O],
,,,MOO:A:306,invalid,,,,,[O-][Mo](=O)(=O)[O-],
,,,J8B:A:304,invalid,,,,,[O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O],
,,4NDR,,,,,,,
,,,MO:B:316,invalid,,,,,[Mo],
,,,MO:B:307,invalid,,,,,[Mo],
,,,MO:B:318,invalid,,,,,[Mo],
,,,MO:B:308,invalid,,,,,[Mo],
,,,MO:B:309,invalid,,,,,[Mo],
,,,MO:B:311,invalid,,,,,[Mo],
,,,MO:A:307,invalid,,,,,[Mo],
,,,MO:A:305,invalid,,,,,[Mo],
,,,MO:B:305,invalid,,,,,[Mo],
,,,MO:B:306,invalid,,,,,[Mo],
,,,MO:B:310,invalid,,,,,[Mo],
,,,MO:A:308,invalid,,,,,[Mo],
,,,MO:B:313,invalid,,,,,[Mo],
,,,MO:B:312,invalid,,,,,[Mo],
,,,MO:A:306,invalid,,,,,[Mo],
,,,MO:B:304,invalid,,,,,[Mo],
,,,MO:B:314,invalid,,,,,[Mo],
,,,MO:B:315,invalid,,,,,[Mo],
,,,MO:B:317,invalid,,,,,[Mo],
,,,MO:B:319,invalid,,,,,[Mo],
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8M0:A:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,8M0:B:303,invalid,,,,,[O-][Mo]12(=O)(=O)O[Mo]34(=O)([O@@]1[Mo]567([O@]2[Mo]89(=O)(O51[Mo]2(=O)(O8)(O[Mo]5(=O)(=O)([O@@]2[Mo]11(O36[Mo](=O)([O@]51)(O4)(O7)[O-])(O9)[O-])[O-])[O-])[O-])[O-])[O-],
,,,M10:A:304,invalid,,,,,[O-][Mo]12(O[Mo]3(O1[Mo](=O)(O2)(O3)([O-])[O-])([O-])([O-])[O-])([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,2OGX,,,,,,,
,,,ATP:A:281,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:291,Part of Protein,,,,,[Mg+2],
,,,PO4:B:292,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:293,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,W:A:2004,Part of Protein,,,,,[W+6],
,,,W:A:2005,Part of Protein,,,,,[W+6],
,,,W:A:2012,Part of Protein,,,,,[W+6],
,,,W:A:2013,Part of Protein,,,,,[W+6],
,,,W:A:2014,Part of Protein,,,,,[W+6],
,,,W:A:2015,Part of Protein,,,,,[W+6],
,,,W:A:2016,Part of Protein,,,,,[W+6],
,,,W:A:2017,Part of Protein,,,,,[W+6],
,,,W:A:2025,Part of Protein,,,,,[W+6],
,,,W:A:2026,Part of Protein,,,,,[W+6],
,,,W:B:2001,Part of Protein,,,,,[W+6],
,,,W:B:2002,Part of Protein,,,,,[W+6],
,,,W:B:2003,Part of Protein,,,,,[W+6],
,,,W:B:2006,Part of Protein,,,,,[W+6],
,,,W:B:2007,Part of Protein,,,,,[W+6],
,,,W:B:2009,Part of Protein,,,,,[W+6],
,,,W:B:2010,Part of Protein,,,,,[W+6],
,,,W:B:2011,Part of Protein,,,,,[W+6],
,,,W:B:2027,Part of Protein,,,,,[W+6],
,,,W:B:2028,Part of Protein,,,,,[W+6],
,,,W:B:2029,Part of Protein,,,,,[W+6],
,,,W:B:2030,Part of Protein,,,,,[W+6],
,,,W:B:2031,Part of Protein,,,,,[W+6],
,,,WO3:A:2008,invalid,,,,,O=[W]=1=2(=O=[W]=3(=O1=[W](=O2)(=O3)(=O)(=O)=O)(=O)(=O)=O)(=O)=O,
,Family. Representative Entry is ,2YG2,,,,,,,
,,,FLC:A:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,S1P:A:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O,
,,,S1P:B:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O,
,,2WEW,,,,,,,
,,,EDO:A:1189,invalid,,,,,C(CO)O,
,,,MYR:A:1188,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,2WEX,,,,,,,
,,,EDO:A:1187,invalid,,,,,C(CO)O,
,,,GYM:A:1186,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO)O,
,Family. Representative Entry is ,3GL0,,,,,,,
,,,EDO:A:350,invalid,,,,,C(CO)O,
,,,EDO:A:351,invalid,,,,,C(CO)O,
,,,EDO:A:352,invalid,,,,,C(CO)O,
,,,EDO:B:350,invalid,,,,,C(CO)O,
,,,EDO:B:351,invalid,,,,,C(CO)O,
,,,EDO:B:352,invalid,,,,,C(CO)O,
,,,EDO:B:353,invalid,,,,,C(CO)O,
,,,EDO:C:350,invalid,,,,,C(CO)O,
,,,EDO:C:351,invalid,,,,,C(CO)O,
,,,EDO:C:352,invalid,,,,,C(CO)O,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FES:A:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HXX:A:600,valid,,,,,c1cc(c(c(c1Cl)C(=O)O)O)Cl,
,,,HXX:B:700,valid,,,,,c1cc(c(c(c1Cl)C(=O)O)O)Cl,
,,,OXY:A:700,invalid,,,,,O=O,
,,,OXY:B:600,invalid,,,,,O=O,
,,3GL2,,,,,,,
,,,D3M:A:600,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,D3M:B:600,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FES:A:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:500,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,3GOB,,,,,,,
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,CO:A:602,Part of Protein,,,,,[Co+2],
,,,CO:B:502,Part of Protein,,,,,[Co+2],
,,,CO:B:602,Part of Protein,,,,,[Co+2],
,,,CO:C:502,Part of Protein,,,,,[Co+2],
,,,CO:C:602,Part of Protein,,,,,[Co+2],
,,,CO:C:603,Part of Protein,,,,,[Co+2],
,,,CO:C:604,Part of Protein,,,,,[Co+2],
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,HXX:A:601,valid,,,,,c1cc(c(c(c1Cl)C(=O)O)O)Cl,
,,,HXX:B:601,valid,,,,,c1cc(c(c(c1Cl)C(=O)O)O)Cl,
,,,HXX:C:601,valid,,,,,c1cc(c(c(c1Cl)C(=O)O)O)Cl,
,,3GB4,,,,,,,
,,,CO:A:502,Part of Protein,,,,,[Co+2],
,,,CO:A:602,Part of Protein,,,,,[Co+2],
,,,CO:B:502,Part of Protein,,,,,[Co+2],
,,,CO:B:602,Part of Protein,,,,,[Co+2],
,,,CO:B:603,Part of Protein,,,,,[Co+2],
,,,CO:C:502,Part of Protein,,,,,[Co+2],
,,,CO:C:602,Part of Protein,,,,,[Co+2],
,,,D3M:A:601,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,D3M:B:601,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,3GTS,,,,,,,
,,,D3M:A:601,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,D3M:B:601,valid,,,,,COc1c(ccc(c1C(=O)O)Cl)Cl,
,,,FE:A:502,Part of Protein,,,,,[Fe+3],
,,,FE:B:502,Part of Protein,,,,,[Fe+3],
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,4UXM,,,,,,,
,,,BE7:A:1133,valid,,,,,c1cc(ccc1C(=O)O)[Hg]Cl,
,Family. Representative Entry is ,5KK4,,,,,,,
,,,44E:D:103,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,44E:D:102,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,44E:C:101,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,44E:F:101,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,44E:E:102,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,44E:F:102,valid,,,,,CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC,
,,,EDO:F:104,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:F:106,invalid,,,,,C(CO)O,
,,,EDO:D:101,invalid,,,,,C(CO)O,
,,,EDO:C:106,invalid,,,,,C(CO)O,
,,,EDO:C:105,invalid,,,,,C(CO)O,
,,,EDO:F:103,invalid,,,,,C(CO)O,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:D:104,invalid,,,,,C(CO)O,
,,,EDO:D:105,invalid,,,,,C(CO)O,
,,,EDO:D:107,invalid,,,,,C(CO)O,
,,,EDO:D:106,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:F:105,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,EDO:C:103,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:105,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:C:104,invalid,,,,,CC(=O)[O-],
,,,ACT:A:104,invalid,,,,,CC(=O)[O-],
,,,ACT:B:104,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6WPG,,,,,,,
,,,SAL:B:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,5L4R,,,,,,,
,,,CPT:A:508,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:510,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:507,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:513,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:512,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:511,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:506,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:504,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,73M:A:503,valid,,,,,N[Pt](N)(O)Cl,
,,,73M:A:509,valid,,,,,N[Pt](N)(O)Cl,
,,,73M:A:505,valid,,,,,N[Pt](N)(O)Cl,
,,,GOL:A:514,invalid,,,,,C(C(CO)O)O,
,,,TLA:A:502,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6S1E,,,,,,,
,,,TLA:A:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6C6W,,,,,,,
,,,TFX:A:502,valid,,,,,Cc1ccc2c(c1)sc([n+]2C)c3ccc(cc3)N(C)C,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,6S1G,,,,,,,
,,,ALA:A:301,invalid,,,,,C[C@@H](C(=O)O)N,
,,,TLA:A:302,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6L1Y,,,,,,,
,,,EPE:A:609,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:605,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6VIX,,,,,,,
,,,QYV:D:501,valid,Ki,=,1.3,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,,QYV:A:501,valid,Ki,=,1.3,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,,QYV:C:501,valid,Ki,=,1.3,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,,QYV:B:501,valid,Ki,=,1.3,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,4KV4,,,,,,,
,,,DTT:A:201,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,THR PHE ALY SER ILE MET LYS:B:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)Cc1ccccc1)CCCCNC(=O)C)CO)C(CC)C)C(=O)NC(C=O)CCCC[NH3+])C,
,,5UEZ,,,,,,,
,,,89G:A:501,valid,Ki,=,970,nM,CN1C(=O)C=C(C(=N1)c2ccccc2Oc3ccccc3)OC,
,,5UF0,,,,,,,
,,,89J:A:501,valid,Ki,=,160,uM,CNC1=CC(=O)N(N=C1c2ccccc2)C,
,,5UEU,,,,,,,
,,,0S6:B:501,valid,,,,,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,
,,,0S6:A:501,valid,,,,,Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)OC)c4ccc(cc4)Cl)C,
,,4Z93,,,,,,,
,,,4LD:A:501,valid,Kd,=,44.6,nM,Cc1c(c(n[nH]1)C2CC2)c3c4c(ccn3)[nH]c5c4cc(c(c5)c6c(noc6C)C)OC,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,5UEY,,,,,,,
,,,88M:A:501,valid,Ki,=,5.1,nM,CCOC1=CC(=O)N(C=C1c2cc(ccc2Oc3ccc(cc3F)F)NS(CC)(O)O)C,
,,5UEX,,,,,,,
,,,89D:A:501,valid,Ki,=,1.5,nM,CCS(Nc1ccc2c(c1)C3=CN(C(=O)C=C3OCCCCc4cc(cc(c4O2)F)F)C)(O)O,
,Family. Representative Entry is ,2NZ5,,,,,,,
,,,226:A:431,valid,Kd,=,10.5,uM,c1c(cc(c2c1c(c(cc2O)O)O)O)O,
,,,226:A:432,valid,Kd,=,10.5,uM,c1c(cc(c2c1c(c(cc2O)O)O)O)O,
,,,226:B:431,valid,Kd,=,10.5,uM,c1c(cc(c2c1c(c(cc2O)O)O)O)O,
,,,226:B:432,valid,Kd,=,10.5,uM,c1c(cc(c2c1c(c(cc2O)O)O)O)O,
,,,HEM:A:430,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:430,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6GW1,,,,,,,
,,,NA:A:600,Part of Protein,,,,,[Na+],
,,,NA:B:600,Part of Protein,,,,,[Na+],
,,,CHO:B:601,valid,Kd,=,0.000000064,M,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:A:601,valid,Kd,=,0.000000064,M,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,4Z4W,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,FUL:A:603,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,4Z4Z,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,,GLA FUC GLA:D:1,valid,,,,,,
,,3ONY,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,EDO:C:1,invalid,,,,,C(CO)O,
,,,EDO:C:2,invalid,,,,,C(CO)O,
,,,EDO:C:8,invalid,,,,,C(CO)O,
,,,FUC:A:1,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:2,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:3,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,3Q3A,,,,,,,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:23,invalid,,,,,C(CO)O,
,,,EDO:A:26,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:10,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:18,invalid,,,,,C(CO)O,
,,,EDO:B:19,invalid,,,,,C(CO)O,
,,,EDO:B:20,invalid,,,,,C(CO)O,
,,,EDO:B:21,invalid,,,,,C(CO)O,
,,,EDO:B:24,invalid,,,,,C(CO)O,
,,,EDO:B:25,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,IMD:A:4,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:854,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:855,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:3,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:5,invalid,,,,,c1c[nH+]c[nH]1,
,,,NAG GAL FUL:C:1,valid,,,,,,
,,4Z4T,,,,,,,
,,,FUL:B:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:604,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:606,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:603,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,NO3:A:605,invalid,,,,,[N+](=O)([O-])[O-],
,,4Z4V,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,NO3:A:601,invalid,,,,,[N+](=O)([O-])[O-],
,,,FUL:A:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,4Z4Y,,,,,,,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,GLA FUC GLA:C:1,valid,,,,,,
,,5BSY,,,,,,,
,,,NO3:B:603,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:604,invalid,,,,,[N+](=O)([O-])[O-],
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,FLC:A:603,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5HZB,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,GLC GAL FUC:C:1,valid,ic50,=,5.5,mM,,
,,3PA2,,,,,,,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:17,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:20,invalid,,,,,C(CO)O,
,,,EDO:A:21,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:23,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:539,invalid,,,,,C(CO)O,
,,,EDO:A:540,invalid,,,,,C(CO)O,
,,,EDO:A:541,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:10,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,IMD:A:24,invalid,,,,,c1c[nH+]c[nH]1,
,,,NAG FUC GAL FUC:C:1,valid,,,,,,
,,4Z4S,,,,,,,
,,,FUL:B:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:606,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:604,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,NO3:A:607,invalid,,,,,[N+](=O)([O-])[O-],
,,3Q38,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:14,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:18,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:854,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:13,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:17,invalid,,,,,C(CO)O,
,,,EDO:B:19,invalid,,,,,C(CO)O,
,,,EDO:B:21,invalid,,,,,C(CO)O,
,,,EDO:B:8,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,IMD:A:24,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:27,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:23,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:25,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:26,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:28,invalid,,,,,c1c[nH+]c[nH]1,
,,,GAL FUC GLA:C:1,valid,,,,,,
,,3RY8,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:11,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:3,invalid,,,,,C(CO)O,
,,,EDO:B:7,invalid,,,,,C(CO)O,
,,,FLC:A:1,valid,Kd,=,460,uM,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,3PA1,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:15,invalid,,,,,C(CO)O,
,,,EDO:A:16,invalid,,,,,C(CO)O,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:12,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:2,invalid,,,,,C(CO)O,
,,,EDO:B:4,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,IMD:A:18,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:17,invalid,,,,,c1c[nH+]c[nH]1,
,,,GAL FUC A2G:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)OC(CO)C1O)C,
,,6GW2,,,,,,,
,,,TUD:B:600,valid,Kd,=,0.0000123,M,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,TUD:A:600,valid,Kd,=,0.0000123,M,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,4Z4U,,,,,,,
,,,FUL:B:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,3Q39,,,,,,,
,,,EDO:A:10,invalid,,,,,C(CO)O,
,,,EDO:A:12,invalid,,,,,C(CO)O,
,,,EDO:A:13,invalid,,,,,C(CO)O,
,,,EDO:A:17,invalid,,,,,C(CO)O,
,,,EDO:A:19,invalid,,,,,C(CO)O,
,,,EDO:A:21,invalid,,,,,C(CO)O,
,,,EDO:A:22,invalid,,,,,C(CO)O,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:4,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:A:7,invalid,,,,,C(CO)O,
,,,EDO:A:8,invalid,,,,,C(CO)O,
,,,EDO:A:854,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:B:11,invalid,,,,,C(CO)O,
,,,EDO:B:14,invalid,,,,,C(CO)O,
,,,EDO:B:15,invalid,,,,,C(CO)O,
,,,EDO:B:16,invalid,,,,,C(CO)O,
,,,EDO:B:18,invalid,,,,,C(CO)O,
,,,EDO:B:20,invalid,,,,,C(CO)O,
,,,EDO:B:5,invalid,,,,,C(CO)O,
,,,EDO:B:9,invalid,,,,,C(CO)O,
,,,IMD:A:24,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:25,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:23,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:26,invalid,,,,,c1c[nH+]c[nH]1,
,,,GAL FUC:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(C)O1)C1C(O)C(O)C(CO)OC1,
,,5HZA,,,,,,,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:605,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,BGC FUC GAL:C:1,valid,ic50,=,5.6,mM,O(C1C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC(O)C1O)C1C(O)C(O)C(O)C(C)O1,
,,5BSX,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,FLC:A:601,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6GY9,,,,,,,
,,,EDO:B:600,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,KBA:A:600,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCn2ccnn2)O)O)O,
,,4Z4R,,,,,,,
,,,FUL:A:602,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:605,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:B:606,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,FUL:A:603,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:B:604,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6TJ0,,,,,,,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,C2E:B:601,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6M4J,,,,,,,
,,,PLP:A:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,CYS:A:402,valid,,,,,C([C@@H](C(=O)O)N)S,
,,,CYS:B:402,valid,,,,,C([C@@H](C(=O)O)N)S,
,Family. Representative Entry is ,5AZG,,,,,,,
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,CD:A:207,invalid,,,,,[Cd+2],
,,,CD:A:206,invalid,,,,,[Cd+2],
,,,CD:B:201,invalid,,,,,[Cd+2],
,,,CD:B:202,invalid,,,,,[Cd+2],
,,,CD:B:206,invalid,,,,,[Cd+2],
,,,CD:B:204,invalid,,,,,[Cd+2],
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:A:208,invalid,,,,,[Cd+2],
,,,CD:B:203,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,CD:B:205,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,TYR GLN GLU SER THR ASP PHE THR PHE LEU:C:357,valid,Kd,=,2.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)CC(=O)[O-])Cc1ccccc1)C(O)C)Cc1ccccc1)CC(C)C,
,,,TYR GLN GLU SER THR ASP PHE THR PHE LEU:D:356,valid,Kd,=,2.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)CC(=O)[O-])Cc1ccccc1)C(O)C)Cc1ccccc1)CC(C)C,
,,5AZF,,,,,,,
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,CD:B:201,invalid,,,,,[Cd+2],
,,,CD:B:202,invalid,,,,,[Cd+2],
,,,CD:B:206,invalid,,,,,[Cd+2],
,,,CD:B:204,invalid,,,,,[Cd+2],
,,,CD:A:205,invalid,,,,,[Cd+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,,CD:B:203,invalid,,,,,[Cd+2],
,,,CD:D:101,invalid,,,,,[Cd+2],
,,,CD:B:207,invalid,,,,,[Cd+2],
,,,CD:B:205,invalid,,,,,[Cd+2],
,,,CD:A:201,invalid,,,,,[Cd+2],
,,,TRP GLU GLU LEU:C:1,valid,Kd,=,36.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,,,TRP GLU GLU LEU:D:1,valid,Kd,=,36.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,7BQU,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,EF2:A:501,valid,Kd,=,4,uM,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,Family. Representative Entry is ,3HUJ,,,,,,,
,,,AGH:A:3000,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,AGH:C:3000,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O,
,,,MG:H:1000,Part of Protein,,,,,[Mg+2],
,,,NAG:A:2000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2000,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NDG BMA:J:1,invalid,,,,,,
,,,NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1)C,
,Family. Representative Entry is ,6SCE,,,,,,,
,,,A   A   A   A  :B:1,valid,,,,,,
,Family. Representative Entry is ,5HJQ,,,,,,,
,,,I3P:A:401,valid,Kd,=,19,uM,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,1XE7,,,,,,,
,,,ACY:A:307,invalid,,,,,CC(=O)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,GUN:A:210,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:B:210,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:C:210,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,Family. Representative Entry is ,6QKR,,,,,,,
,,,J5H:A:804,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O,
,,,J5H:B:804,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FAD:B:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FMN:B:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6QKX,,,,,,,
,,,J5H:A:804,valid,,,,,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4)O,
,,,FMN:A:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,6QKG,,,,,,,
,,,FMN:A:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:803,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FAD:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SF4:B:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,4HPD,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HCS:A:202,valid,Ka,=,1780,M^-1,C(CS)[C@@H](C(=O)O)N,
,,4HPC,,,,,,,
,,,CYS:A:202,valid,Ka,=,167,M^-1,C([C@@H](C(=O)O)N)S,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,6EYT,,,,,,,
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:403,Part of Protein,,,,,[Mn+2],
,,,NDG:A:405,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NDG:B:405,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,IOD:A:401,invalid,,,,,[I-],
,,,IOD:B:401,invalid,,,,,[I-],
,,,IOD:A:402,invalid,,,,,[I-],
,,,IOD:B:402,invalid,,,,,[I-],
,,,UDP:B:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6ACI,,,,,,,
,,,UDP:A:401,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MN:A:402,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4LYA,,,,,,,
,,,ATP:A:1503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4AFK,,,,,,,
,,,LDA:A:1498,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1501,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1500,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1499,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1503,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1496,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1492,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1494,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1495,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1497,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1505,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1493,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1502,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1504,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:1506,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PE5:A:1517,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:1516,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,CA:A:1509,Part of Protein,,,,,[Ca+2],
,,,NA:A:1507,Part of Protein,,,,,[Na+],
,,,NA:A:1508,Part of Protein,,,,,[Na+],
,,,78N:A:1514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:1513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:1511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78M:A:1510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:1512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:1515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,FLC:A:1491,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,5D5D,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,LDA:A:508,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:504,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:509,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:506,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:507,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:510,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:A:505,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,PE5:A:511,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:512,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:513,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:514,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:515,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,MES:A:519,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:518,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,78M:A:517,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:516,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,Family. Representative Entry is ,4JN2,,,,,,,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,4CC:L:301,valid,,,,,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,,,4CC:A:301,valid,,,,,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,Family. Representative Entry is ,3BWR,,,,,,,
,,,EDO:A:3,invalid,,,,,C(CO)O,
,,,EDO:A:9,invalid,,,,,C(CO)O,
,,,EDO:B:1,invalid,,,,,C(CO)O,
,,,EDO:C:2,invalid,,,,,C(CO)O,
,,,EDO:D:4,invalid,,,,,C(CO)O,
,,,EDO:E:5,invalid,,,,,C(CO)O,
,,,BGC GAL SIA NGA GAL:H:1,valid,Kd,~,3,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:F:1,valid,Kd,~,3,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:G:1,valid,Kd,~,3,mM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,Family. Representative Entry is ,5XCT,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,PRO ARG GLY TYR PRO GLY GLN VAL:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,,5XCR,,,,,,,
,,,PRO ARG GLY TYR PRO GLY GLN VAL:F:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,,,PRO ARG GLY TYR PRO GLY GLN VAL:C:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,,5XCQ,,,,,,,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO ARG GLY TYR PRO GLY GLN VAL:C:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1N(C(=O)C(NC(=O)CNC(=O)C(NC(=O)C2[NH2+]CCC2)C)Cc2ccc(O)cc2)CCC1)CCC(=O)N)C(C)C,
,Family. Representative Entry is ,3Q8G,,,,,,,
,,,GOL:A:3968,invalid,,,,,C(C(CO)O)O,
,,,PEE:A:311,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,3B7Q,,,,,,,
,,,6PL:A:314,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,6PL:B:314,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,GOL:A:315,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:313,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3B74,,,,,,,
,,,PEE:A:311,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,3B7N,,,,,,,
,,,ACT:A:313,invalid,,,,,CC(=O)[O-],
,,,B7N:A:314,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,PO4:A:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3B7Z,,,,,,,
,,,6PL:A:312,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C,
,,,B7N:A:311,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=C/CCCCCCCC,
,Family. Representative Entry is ,3ZE2,,,,,,,
,,,MN:B:2003,Part of Protein,,,,,[Mn+2],
,,,MN:D:2003,Part of Protein,,,,,[Mn+2],
,,,MN:B:2002,Part of Protein,,,,,[Mn+2],
,,,MN:D:2002,Part of Protein,,,,,[Mn+2],
,,,MN:B:2001,Part of Protein,,,,,[Mn+2],
,,,MN:D:2001,Part of Protein,,,,,[Mn+2],
,,,CA:C:2007,Part of Protein,,,,,[Ca+2],
,,,CA:C:2006,Part of Protein,,,,,[Ca+2],
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,CA:C:2005,Part of Protein,,,,,[Ca+2],
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,CA:C:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2005,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN:G:1,invalid,,,,,,
,,,GLY ARG GLY ASP SER PRO:I:492,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(=O)[O-],
,,,GLY ARG GLY ASP SER PRO:J:492,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(=O)[O-],
,,,GOL:C:1455,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1455,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1220,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1215,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1454,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1456,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1457,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1216,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1456,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:1498,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG NAG BMA MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:C:2015,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,3NIF,,,,,,,
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2005,Part of Protein,,,,,[Ca+2],
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,CA:C:2004,Part of Protein,,,,,[Ca+2],
,,,CA:C:2005,Part of Protein,,,,,[Ca+2],
,,,CA:C:2006,Part of Protein,,,,,[Ca+2],
,,,CA:C:2007,Part of Protein,,,,,[Ca+2],
,,,CA:D:2002,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,GOL:A:456,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:457,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:458,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:459,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:460,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:461,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:472,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:472,invalid,,,,,C(C(CO)O)O,
,,,MG:B:2001,Part of Protein,,,,,[Mg+2],
,,,MG:D:2001,Part of Protein,,,,,[Mg+2],
,,,NAG:B:3099,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:3099,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:J:1,Part of Protein,,,,,,
,,,NAG NAG MAN MAN:G:1,Part of Protein,,,,,,
,,,NIF:A:455,valid,,,,,CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3,
,,,NIF:C:455,valid,,,,,CCC1=NN2C(=O)C=C(N=C2S1)N3CCNCC3,
,,,SO4:A:462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:464,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:465,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:473,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:474,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:475,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:222,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3ZDY,,,,,,,
,,,SO4:C:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1468,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1469,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1216,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1459,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:1215,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1472,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1463,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1467,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1461,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1458,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1462,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1460,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:C:2007,Part of Protein,,,,,[Ca+2],
,,,CA:C:2006,Part of Protein,,,,,[Ca+2],
,,,CA:D:2002,Part of Protein,,,,,[Ca+2],
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,CA:D:2003,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,CA:C:2005,Part of Protein,,,,,[Ca+2],
,,,CA:C:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2005,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,NAG:D:3319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,MG:B:2001,Part of Protein,,,,,[Mg+2],
,,,MG:D:2001,Part of Protein,,,,,[Mg+2],
,,,GLY ARG GLY ASP SER PRO:I:492,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(=O)[O-],
,,,GLY ARG GLY ASP SER PRO:J:492,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(=O)[O-],
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,2VDR,,,,,,,
,,,CA:A:2004,Part of Protein,,,,,[Ca+2],
,,,CA:A:2005,Part of Protein,,,,,[Ca+2],
,,,CA:A:2006,Part of Protein,,,,,[Ca+2],
,,,CA:A:2007,Part of Protein,,,,,[Ca+2],
,,,CA:B:2002,Part of Protein,,,,,[Ca+2],
,,,CA:B:2003,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1453,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1462,invalid,,,,,C(C(CO)O)O,
,,,LEU GLY GLY ALA LYS GLN ARG GLY ASP VAL:C:405,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CCCC[NH3+])CCC(=O)N)CCCNC(=[NH2+])N)CC(=O)[O-])C(C)C,
,,,MG:B:2001,Part of Protein,,,,,[Mg+2],
,,,NAG:A:3015,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3249,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3099,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN MAN MAN:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN MAN MAN:E:1,Part of Protein,,,,,,
,Family. Representative Entry is ,2NUO,,,,,,,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:303,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:304,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:305,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:306,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5FU3,,,,,,,
,,,NA:A:1508,invalid,,,,,[Na+],
,,,BGC BGC BGC:D:1,valid,Ka,=,41000,M^-1,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:C:1,valid,Ka,=,41000,M^-1,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5FU2,,,,,,,
,,,BMA BMA BMA BMA BMA:C:1,valid,Ka,=,17000,M^-1,,
,,,CA:B:1515,Part of Protein,,,,,[Ca+2],
,,,NA:B:1518,Part of Protein,,,,,[Na+],
,,,NA:B:1517,Part of Protein,,,,,[Na+],
,,,NA:B:1516,invalid,,,,,[Na+],
,,,MAN BMA BMA BMA BMA BMA BMA:D:1,valid,Ka,=,17000,M^-1,O(C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC1CO)C1C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5FU4,,,,,,,
,,,BMA BMA BMA:C:1,valid,,,,,,
,,,BMA BMA BMA BMA BMA:D:1,valid,,,,,,
,Family. Representative Entry is ,3QH2,,,,,,,
,,,3NM:A:900,valid,,,,,Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O,
,,,3NM:B:900,valid,,,,,Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O,
,,,3NM:C:900,valid,,,,,Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O,
,,,3NM:D:900,valid,,,,,Cc1c(sc(n1)C(=O)O)CCOP(=O)(O)O,
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6A2W,,,,,,,
,,,UNL:A:420,invalid,,,,,NULL,
,,,UNL:A:418,invalid,,,,,NULL,
,,,UNL:A:417,invalid,,,,,NULL,
,,,UNL:A:422,invalid,,,,,NULL,
,,,UNL:A:423,invalid,,,,,NULL,
,,,UNL:A:421,invalid,,,,,NULL,
,,,UNL:A:419,invalid,,,,,NULL,
,,,CLA:A:401,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:402,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:406,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:404,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:405,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:407,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,CLA:A:409,Part of Protein,,,,,CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C=C)C,
,,,A86:A:305,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:303,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:306,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:301,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:304,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:302,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,A86:A:307,valid,,,,,C/C(=CC=CC=C(/C)C=CC=C(/C)C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,DD6:A:308,valid,,,,,CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/C)/C,
,,,LHG:A:412,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LMT:A:410,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,KC1:A:408,invalid,,,,,CCC1=C(c2/cc3/c(c(c4/n3[Mg]n5c(/cc1n2)c(c6c5/c(c/7nc(c4)C(=C7/C=C/C(=O)O)C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C,
,,,KC2:A:403,invalid,,,,,Cc1/c/2c/c3n/c(c/4c5c(c(c/6n5[Mg]n2/c(/c1C=C)cc7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)/C=C/C(=O)O,
,,,SOG:A:413,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:414,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:416,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SOG:A:415,invalid,,,,,CCCCCCCCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DGD:A:411,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,6HP5,,,,,,,
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY MET PRO ARG GLY ALA:C:1,valid,Kd,=,53.8,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,,,GLY MET PRO ARG GLY ALA:D:1,valid,Kd,=,53.8,nM,S(CCC(NC(=O)C[NH3+])C(=O)N1C(C(=O)NC(C(=O)NCC(=O)NC(C=O)C)CCCNC(=[NH2+])N)CCC1)C,
,Family. Representative Entry is ,5IK5,,,,,,,
,,,4MU BDP XYS BDP XYS:A:4013,valid,,,,,,
,,,CA:A:4002,Part of Protein,,,,,[Ca+2],
,,,CA:A:4001,Part of Protein,,,,,[Ca+2],
,,,GOL:A:4007,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4009,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4010,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4008,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4012,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,A2G GAL:B:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,5IK8,,,,,,,
,,,EDO:B:4011,invalid,,,,,C(CO)O,
,,,EDO:B:4013,invalid,,,,,C(CO)O,
,,,EDO:A:4008,invalid,,,,,C(CO)O,
,,,EDO:A:4006,invalid,,,,,C(CO)O,
,,,EDO:A:4009,invalid,,,,,C(CO)O,
,,,EDO:A:4007,invalid,,,,,C(CO)O,
,,,EDO:A:4010,invalid,,,,,C(CO)O,
,,,EDO:B:4012,invalid,,,,,C(CO)O,
,,,EDO:B:4014,invalid,,,,,C(CO)O,
,,,CA:B:4002,Part of Protein,,,,,[Ca+2],
,,,CA:A:4002,Part of Protein,,,,,[Ca+2],
,,,CA:A:4001,Part of Protein,,,,,[Ca+2],
,,,CA:B:4001,Part of Protein,,,,,[Ca+2],
,,,FLC:A:4005,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:4010,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:4009,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:4004,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:B:4003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:4003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,BDP 4MU XYS BDP XYS:C:1,valid,,,,,O=C([O-])C1C(O)C(OC2C(O)C(OC3C(O)C(OC4C(O)C(O)C(O)CO4)C(O)C(C(=O)[O-])O3)C(O)CO2)C(O)C(Oc2cc3OC(=O)C=C(C)c3cc2)O1,
,Family. Representative Entry is ,2BR9,,,,,,,
,,,ARG ARG GLN ARG SEP ALA PRO:P:2,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCC)CCC(=O)N)CCC)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C)([O-])[O-],
,Family. Representative Entry is ,6MRY,,,,,,,
,,,EDO:I:103,invalid,,,,,C(CO)O,
,,,EDO:B:103,invalid,,,,,C(CO)O,
,,,EDO:K:103,invalid,,,,,C(CO)O,
,,,EDO:K:104,invalid,,,,,C(CO)O,
,,,EDO:J:101,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,EDO:B:102,invalid,,,,,C(CO)O,
,,,EDO:L:102,invalid,,,,,C(CO)O,
,,,EDO:B:104,invalid,,,,,C(CO)O,
,,,EDO:K:102,invalid,,,,,C(CO)O,
,,,FLC:D:103,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:K:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:102,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:102,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,I3C:H:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,I3C:G:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,I3C:F:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,I3C:I:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,I3C:C:101,valid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,CL:A:104,invalid,,,,,[Cl-],
,,,CL:F:102,invalid,,,,,[Cl-],
,,,CL:B:105,invalid,,,,,[Cl-],
,,,CL:H:102,invalid,,,,,[Cl-],
,,,CL:L:103,invalid,,,,,[Cl-],
,,,CL:K:105,invalid,,,,,[Cl-],
,,,PEG:D:102,invalid,,,,,C(COCCO)O,
,,,PGE:D:101,invalid,,,,,C(COCCOCCO)O,
,,,PGE:L:101,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,4XGU,,,,,,,
,,,ADP:E:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:F:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3EHU,,,,,,,
,,,BTB:A:501,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:501,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CA:B:500,Part of Protein,,,,,[Ca+2],
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5YRL,,,,,,,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6BLD,,,,,,,
,,,DXJ:A:502,valid,Kd,=,3.6,uM,CC(=CCC/C(=C/C=C/C(=O)C)/C)C,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,Family. Representative Entry is ,2OYH,,,,,,,
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:E:2,Part of Protein,,,,,[Ca+2],
,,,CA:F:1,Part of Protein,,,,,[Ca+2],
,,,GLY HIS ARG PRO:G:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:H:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:I:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:J:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,NAG NAG FUC:L:1,Part of Protein,,,,,,
,,,NAG NAG FUC:K:1,Part of Protein,,,,,,
,,1RE3,,,,,,,
,,,CA:B:472,Part of Protein,,,,,[Ca+2],
,,,CA:C:407,Part of Protein,,,,,[Ca+2],
,,,CA:C:408,Part of Protein,,,,,[Ca+2],
,,,CA:E:472,Part of Protein,,,,,[Ca+2],
,,,CA:F:407,Part of Protein,,,,,[Ca+2],
,,,GLY HIS ARG PRO:G:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:H:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4J25,,,,,,,
,,,OGA:H:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:G:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:C:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:A:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:F:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:D:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:E:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,OGA:B:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:H:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,,,MN:F:401,Part of Protein,,,,,[Mn+2],
,,,MN:G:401,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,6MDW,,,,,,,
,,,FLC:A:801,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,ADP:A:802,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:803,invalid,,,,,C(CO)O,
,,,ZN:A:804,Part of Protein,,,,,[Zn+2],
,,,ZN:A:805,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EM1,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,BEZ:A:201,valid,,,,,c1ccc(cc1)C(=O)O,
,,,MET:A:133,invalid,,,,,CSCC[C@@H](C(=O)O)N,
,,5EV0,,,,,,,
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO:C:1,valid,,,,,O=C(N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)CCC2)CCC1,
,,,PRO PRO PRO PRO PRO PRO PRO PRO PRO:D:1,valid,,,,,O=C(N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4N(C(=O)C5[NH2+]CCC5)CCC4)CCC3)CCC2)CCC1,
,,,MET:A:133,invalid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4S1B,,,,,,,
,,,FE:A:802,Part of Protein,,,,,[Fe+3],
,,,FE:A:801,Part of Protein,,,,,[Fe+3],
,,,FE:D:802,Part of Protein,,,,,[Fe+3],
,,,FE:D:801,Part of Protein,,,,,[Fe+3],
,,,2BA:A:803,valid,Kd,=,0.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:D:803,valid,Kd,=,0.3,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,Family. Representative Entry is ,2UYQ,,,,,,,
,,,SAM:A:1311,valid,Kd,=,2.1,uM,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6QMK,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,J8H:A:702,valid,ic50,=,0.047,uM,Cc1ccc(cc1CN2CCOc3ccccc3S2(=O)=O)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C,
,Family. Representative Entry is ,4TMC,,,,,,,
,,,HBA:D:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:B:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:C:502,valid,,,,,c1cc(ccc1C=O)O,
,,,HBA:A:502,valid,,,,,c1cc(ccc1C=O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,4TMB,,,,,,,
,,,FMN:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3QUR,,,,,,,
,,,ADP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FM4:A:2000,valid,,,,,C[C@H]1[C@H](O1)[P@@](=O)(O)OP(=O)(O)O,
,,,MG:A:3000,invalid,,,,,[Mg+2],
,,3QUO,,,,,,,
,,,ATP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FCN:A:4001,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,3QUN,,,,,,,
,,,ATP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:3545,invalid,,,,,C(C(CO)O)O,
,,,MG:A:2026,invalid,,,,,[Mg+2],
,,3D41,,,,,,,
,,,ANP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,FCN:A:4001,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,MG:A:267,invalid,,,,,[Mg+2],
,,3QVF,,,,,,,
,,,ADP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FV1:A:4001,valid,,,,,C[C@H]1[C@H](O1)[P@](=O)(O)O[V](=O)(O)O,
,,,MG:A:5000,invalid,,,,,[Mg+2],
,,3QVH,,,,,,,
,,,ADP:A:1260,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5HX1,,,,,,,
,,,MG:D:201,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,UMP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2ZX2,,,,,,,
,,,PO4:A:196,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:197,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:196,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:197,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RAM:A:198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:198,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:199,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,2ZX3,,,,,,,
,,,BGC GLA:C:1,valid,,,,,,
,,,BGC GLA:F:1,valid,,,,,,
,,,BGC GLA:E:1,valid,,,,,,
,,,BGC GLA:D:1,valid,,,,,,
,,,PO4:B:196,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:197,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,1X8D,,,,,,,
,,,RNS:A:1105,valid,Kd,=,6.16,mM,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:B:1106,valid,Kd,=,6.16,mM,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:C:1107,valid,Kd,=,6.16,mM,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,,,RNS:D:1108,valid,Kd,=,6.16,mM,C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O,
,Family. Representative Entry is ,6P5R,,,,,,,
,,,GDP:A:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3QRY,,,,,,,
,,,DMJ:A:430,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,DMJ:B:427,valid,,,,,C1[C@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O,
,,,EDO:A:427,invalid,,,,,C(CO)O,
,,,EDO:A:428,invalid,,,,,C(CO)O,
,,,EDO:A:429,invalid,,,,,C(CO)O,
,,,EDO:B:428,invalid,,,,,C(CO)O,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,EDO:B:430,invalid,,,,,C(CO)O,
,,3QSP,,,,,,,
,,,BMA MAN:C:1,valid,,,,,,
,,,BMA MAN:D:1,valid,,,,,,
,,,EDO:A:429,invalid,,,,,C(CO)O,
,,,EDO:A:430,invalid,,,,,C(CO)O,
,,,EDO:A:431,invalid,,,,,C(CO)O,
,,,EDO:A:432,invalid,,,,,C(CO)O,
,,,EDO:B:429,invalid,,,,,C(CO)O,
,,,EDO:B:430,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5EZU,,,,,,,
,,,MYR:A:101,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4WYU,,,,,,,
,,,IOD:B:303,invalid,,,,,[I-],
,,,IOD:A:301,invalid,,,,,[I-],
,,,IOD:A:302,invalid,,,,,[I-],
,,,IOD:B:304,invalid,,,,,[I-],
,,,IOD:A:303,invalid,,,,,[I-],
,,,IOD:B:301,invalid,,,,,[I-],
,,,IOD:B:302,invalid,,,,,[I-],
,,,SER TRP PHE GLN THR ASP LEU:C:-6,valid,Kd,=,7.3,uM,,
,,,SER TRP PHE GLN THR ASP LEU:D:-6,valid,Kd,=,7.3,uM,,
,Family. Representative Entry is ,5TK8,,,,,,,
,,,7D5:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)O)CO)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,5TK7,,,,,,,
,,,7D4:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)CO)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,5TK9,,,,,,,
,,,7D7:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)CO)CO)N,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,5TK6,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,7D3:A:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)CO)N,
,Family. Representative Entry is ,6B5Q,,,,,,,
,,,PPI CZS 2KY MLY 1XY:E:1,valid,Kd,=,5.7,nM,Clc1cc2sc(CC(NC(=O)CC)C(=O)NC(C(=O)NC(C(=O)NC3c4c(OCC3)cccc4)CCCC[NH+](C)C)C3CCCC3)nc2cc1,
,,,PPI CZS 2KY MLY 1XY:D:1,valid,Kd,=,5.7,nM,Clc1cc2sc(CC(NC(=O)CC)C(=O)NC(C(=O)NC(C(=O)NC3c4c(OCC3)cccc4)CCCC[NH+](C)C)C3CCCC3)nc2cc1,
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:301,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,2WMO,,,,,,,
,,,GTP:B:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1179,Part of Protein,,,,,[Mg+2],
,,2WMN,,,,,,,
,,,GDP:B:1178,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3ZBQ,,,,,,,
,,,GDP:A:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3ZBP,,,,,,,
,,,GDP:A:999,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3IX1,,,,,,,
,,,NFM:A:401,valid,Kd,=,200,nM,Cc1ncc(c(n1)N)CNC=O,
,,,NFM:B:401,valid,Kd,=,200,nM,Cc1ncc(c(n1)N)CNC=O,
,Family. Representative Entry is ,1FX8,,,,,,,
,,,BOG:A:473,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:474,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:475,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:661,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:662,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:663,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4QVX,,,,,,,
,,,3CQ:A:301,valid,Ki,<,0.01,nM,CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O,
,,,3CQ:B:301,valid,Ki,<,0.01,nM,CN(C)CC#Cc1ccc(c(c1)F)OCCCc2c(nc(s2)N3CCc4cccc(c4C3)C(=O)Nc5nc6ccccc6s5)C(=O)O,
,,6VWC,,,,,,,
,,,RQ7:A:301,valid,Ki,=,5,nM,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7,
,,,RQ7:B:301,valid,Ki,=,5,nM,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5ccc(c(n5)C(=O)O)c6cnn(c6)Cc7ccncc7,
,Family. Representative Entry is ,2Q46,,,,,,,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1XQ6,,,,,,,
,,,NAP:A:800,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:801,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,1YBM,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,2Q4B,,,,,,,
,,,NAP:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4PEG,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5GP:E:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MN:D:401,Part of Protein,,,,,[Mn+2],
,,,MN:B:401,Part of Protein,,,,,[Mn+2],
,,,MN:A:401,Part of Protein,,,,,[Mn+2],
,,,MN:C:401,Part of Protein,,,,,[Mn+2],
,,,MN:E:401,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4EAX,,,,,,,
,,,S12:B:201,valid,,,,,CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O,
,,,S12:D:201,valid,,,,,CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,6SDK,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,invalid,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,invalid,,,,,[Ca+2],
,,,CA:B:303,invalid,,,,,[Ca+2],
,,,CA:A:303,invalid,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CDP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:B:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:D:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,CDP:C:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6VHX,,,,,,,
,,,QXG:A:501,valid,Kd,=,29.3,nM,c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,QXG:B:502,valid,Kd,=,29.3,nM,c1cc(c(c(c1)O)N)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,PEG:B:503,invalid,,,,,C(COCCO)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,EPE:B:501,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,BR:A:502,invalid,,,,,[Br-],
,,6VHZ,,,,,,,
,,,BR:B:504,invalid,,,,,[Br-],
,,,BR:B:505,invalid,,,,,[Br-],
,,,QXP:A:501,valid,Kd,=,485,nM,c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,QXP:B:501,valid,Kd,=,485,nM,c1ccc(c(c1)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:502,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:A:504,invalid,,,,,[Cl-],
,,6VHW,,,,,,,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,,,BR:B:504,invalid,,,,,[Br-],
,,,BR:A:505,invalid,,,,,[Br-],
,,,BR:B:503,invalid,,,,,[Br-],
,,,R2V:B:501,valid,Kd,=,112,nM,c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,R2V:A:501,valid,Kd,=,112,nM,c1cc(cc(c1)O)C(=O)NS(=O)(=O)NC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,CL:B:505,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3WYG,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4V3I,,,,,,,
,,,GOL:A:1194,invalid,,,,,C(C(CO)O)O,
,,,ASP LEU THR ARG PRO:B:199,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(C)C)C(O)C,
,Family. Representative Entry is ,5E76,,,,,,,
,,,EDO:A:613,invalid,,,,,C(CO)O,
,,,EDO:A:614,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,,EDO:A:611,invalid,,,,,C(CO)O,
,,,CL:A:615,invalid,,,,,[Cl-],
,,,NA:A:616,Part of Protein,,,,,[Na+],
,,,BGC BGC BGC BGC XYS BGC XYS BGC BGC:B:1,valid,Ka,=,300000,M^-1,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(CO)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,6GHJ,,,,,,,
,,,EPE:A:505,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,78M:A:520,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:508,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,78N:A:511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:507,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:517,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:509,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:516,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:519,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:518,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,1PE:A:504,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PHE ALA GLN:B:1,valid,Kd,=,6.89,mM,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)C)CCC(=O)N,
,,5OXM,,,,,,,
,,,ASP GLU:A:521,valid,,,,,O=C([O-])C(NC(=O)C(N)CC(=O)[O-])CCC(=O)[O-],
,,,78N:A:508,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:506,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:520,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:517,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:509,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:519,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:518,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:505,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,78M:A:516,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:507,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,4D2C,,,,,,,
,,,78M:A:505,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:501,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:502,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:504,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78N:A:503,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:506,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,ALA PHE:A:508,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,,PO4:A:507,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5OXO,,,,,,,
,,,78M:A:518,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:521,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:506,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:519,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:509,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78N:A:508,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:523,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:524,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:520,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:507,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:517,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:516,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:522,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:505,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,CIT:A:504,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,1PE:A:503,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:502,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,5OXN,,,,,,,
,,,78N:A:504,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:508,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:507,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:509,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:505,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78M:A:506,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:A:503,Part of Protein,,,,,[Na+],
,,,PHE ALA:A:516,valid,,,,,O=C([O-])C(NC(=O)C(N)Cc1ccccc1)C,
,,5OXK,,,,,,,
,,,78N:A:508,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:511,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:506,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:514,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:517,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:515,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:510,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:509,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:516,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:513,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:512,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,78N:A:505,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@@H](CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ALA GLN:A:518,valid,,,,,O=C([O-])C(NC(=O)C(N)C)CCC(=O)N,
,,,1PE:A:504,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,78M:A:507,invalid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,5D59,,,,,,,
,,,78M:A:505,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:519,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:524,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:508,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:514,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:506,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:512,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:507,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:510,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:522,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:503,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:518,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:513,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:509,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:517,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:515,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:520,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:504,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:521,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:511,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,PHE:A:502,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PE5:A:525,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:526,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PO4:A:516,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ALA PHE:A:501,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,,5D58,,,,,,,
,,,78M:A:505,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:523,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:519,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:524,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:508,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:514,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:506,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:512,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:507,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:510,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:522,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:518,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:513,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:509,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:517,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:515,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:520,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:504,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:516,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:521,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,78M:A:511,valid,,,,,CCCCCCC/C=CCCCCCC(=O)OC[C@H](CO)O,
,,,PO4:A:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PE5:A:525,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE5:A:526,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,ALA PHE:A:501,valid,,,,,O=C([O-])C(NC(=O)C(N)C)Cc1ccccc1,
,Family. Representative Entry is ,2VFK,,,,,,,
,,,AMP:A:1293,valid,Kd,=,194,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,2VFL,,,,,,,
,,,C5P:A:1293,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5C4L,,,,,,,
,,,4XR:A:401,valid,,,,,C1C=C(O[C@@H]([C@@H]1N)O)CN,
,,,SIS:B:401,valid,Kd,=,2.3,uM,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,
,,3SG8,,,,,,,
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,TOY:A:305,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,,TOY:B:305,valid,,,,,C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H](C[C@@H]([C@H](O3)CN)O)N)N,
,,4DTA,,,,,,,
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,4DT8,,,,,,,
,,,ADN:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,ADN:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,3SG9,,,,,,,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,KAN:A:304,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:305,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,4DT9,,,,,,,
,,,GMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,6CD7,,,,,,,
,,,EDS:B:401,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(=O)[C@H](CCN)O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,4DTB,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GMP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,,GMP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6O0Q,,,,,,,
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:B:802,invalid,,,,,[Cl-],
,,,BDR:A:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,BDR:B:801,valid,,,,,C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,5OVV,,,,,,,
,,,SCN:A:701,invalid,,,,,C(#N)[S-],
,,,SCN:B:801,invalid,,,,,C(#N)[S-],
,,,ACE ILE GLU SER THR GLU ILE:B:697,valid,Kd,=,33,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(CC)C)CCC(=O)[O-])CO)C(O)C)CCC(=O)[O-])C(CC)C,
,Family. Representative Entry is ,5IQZ,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,5KTC,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,COA:A:203,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,FUH:A:202,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O,
,,5KTD,,,,,,,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,COA:A:203,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,QUH:A:202,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H](C)O)O,
,Family. Representative Entry is ,5W7R,,,,,,,
,,,9Z7:A:501,valid,,,,,CC(C)(C=C)[C@@]12C=C(C(=O)N3[C@]1(NC(=O)/C3=Cc4c[nH]cn4)N(c5c2cccc5)OC)OC,
,,,SAH:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,5W7P,,,,,,,
,,,SAM:A:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3VY6,,,,,,,
,,,CL:A:704,invalid,,,,,[Cl-],
,,,CL:A:703,invalid,,,,,[Cl-],
,,,BGC BGC:B:1,valid,Kd,=,7,mM,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,3VZE,,,,,,,
,,,MAN MAN:B:1,valid,Kd,=,13,mM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,3VY7,,,,,,,
,,,SER MAN:A:201,valid,,,,,O=C([O-])C([NH3+])COC1C(O)C(O)C(O)C(CO)O1,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3AIA,,,,,,,
,,,PBL:A:207,invalid,,,,,CC(CC(C)(O)O)(O)O,
,,,PBL:B:207,invalid,,,,,CC(CC(C)(O)O)(O)O,
,,,SAM:A:206,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:206,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3AI9,,,,,,,
,,,MG:X:502,invalid,,,,,[Mg+2],
,,,MG:X:503,invalid,,,,,[Mg+2],
,,,SAM:X:501,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3M3R,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:H:1,valid,Kd,=,0.000000064,M,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:I:1,valid,Kd,=,0.000000064,M,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,6U49,,,,,,,
,,,PQJ:D:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:403,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:B:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:B:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:D:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:G:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:C:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:304,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:303,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:404,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:302,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:G:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:301,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:403,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:B:403,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:C:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:D:403,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3M4E,,,,,,,
,,,GLC GLC GLC GLC GLC GLC GLC:H:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,6U4P,,,,,,,
,,,PQJ:D:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:B:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:D:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:C:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:F:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:C:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:B:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:G:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:E:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:G:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,SO4:G:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5G0G,,,,,,,
,,,CL:A:1422,invalid,,,,,[Cl-],
,,,CL:A:1425,invalid,,,,,[Cl-],
,,,CL:A:1423,invalid,,,,,[Cl-],
,,,CL:A:1426,invalid,,,,,[Cl-],
,,,CL:A:1424,invalid,,,,,[Cl-],
,,,NA:A:1420,Part of Protein,,,,,[Na+],
,,,NA:A:1421,Part of Protein,,,,,[Na+],
,,,ZN:A:1419,Part of Protein,,,,,[Zn+2],
,,,TSN:A:1427,valid,ic50,=,5.45,nM,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,6UO5,,,,,,,
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,QCP:A:501,valid,,,,,CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO,
,,6UO2,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,TSN:B:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:A:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,6UO7,,,,,,,
,,,QCP:A:504,valid,,,,,CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,6UO4,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,TSN:B:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:A:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,6UOC,,,,,,,
,,,ZN:A:604,Part of Protein,,,,,[Zn+2],
,,,K:A:605,Part of Protein,,,,,[K+],
,,,K:A:606,Part of Protein,,,,,[K+],
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,QCM:A:607,valid,,,,,CCN(CC)Cc1ccc2cc(ccc2c1)COC(=O)Nc3ccc(cc3)C(=O)NO,
,,6UOB,,,,,,,
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:506,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,K:B:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,PHE:A:501,invalid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,P7D:B:504,valid,,,,,CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO,
,,,P7D:A:505,valid,,,,,CN(C)Cc1ccc(cc1)S(=O)(=O)n2ccc(c2)/C=C/C(=O)NO,
,,5EEF,,,,,,,
,,,TSN:A:2002,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:B:2002,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,NH4:A:2004,invalid,,,,,[NH4+],
,,,NH4:B:2004,invalid,,,,,[NH4+],
,,,NH4:B:2003,invalid,,,,,[NH4+],
,,,NH4:A:2003,invalid,,,,,[NH4+],
,,,ZN:A:2001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2001,Part of Protein,,,,,[Zn+2],
,,,SO4:A:2005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:2005,invalid,,,,,C(CO)O,
,,,EDO:A:2006,invalid,,,,,C(CO)O,
,,6WYQ,,,,,,,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,UFJ:A:504,valid,,,,,c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I,
,,,UFJ:B:504,valid,,,,,c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,6UO3,,,,,,,
,,,QCP:A:504,valid,,,,,CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,6WYP,,,,,,,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,UFS:A:504,valid,,,,,C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO,
,,6WYO,,,,,,,
,,,TSN:B:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,TSN:A:504,valid,,,,,C[C@H](C=C(/C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:503,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6GF3,,,,,,,
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,EX5:B:503,valid,,,,,CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)C[C@H]5[C@@H]2O5)c6cc(c(cc6N3)OC)OC(=O)C)C(=O)OC,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:503,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6U3Y,,,,,,,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:D:307,invalid,,,,,CC(=O)[O-],
,,,ACT:B:305,invalid,,,,,CC(=O)[O-],
,,,ACT:B:308,invalid,,,,,CC(=O)[O-],
,,,ACT:B:307,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,ACT:B:306,invalid,,,,,CC(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PQJ:A:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:403,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,Family. Representative Entry is ,6HJX,,,,,,,
,,,MES:C:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,LMT:B:401,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:D:401,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:A:503,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:E:401,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,LMT:C:401,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,P6G:A:501,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:D:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:E:402,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,PTY:A:502,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,NA:C:403,invalid,,,,,[Na+],
,Family. Representative Entry is ,3SXN,,,,,,,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3NKV,,,,,,,
,,,AMP:A:600,Part of Protein,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:600,Part of Protein,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BA:A:175,Part of Protein,,,,,[Ba+2],
,,,BA:B:175,Part of Protein,,,,,[Ba+2],
,,,GNP:A:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:400,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:500,Part of Protein,,,,,[Mg+2],
,,,MG:B:500,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6OMQ,,,,,,,
,,,MN:B:408,invalid,,,,,[Mn+2],
,,,MN:A:407,Part of Protein,,,,,[Mn+2],
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,MN:A:408,Part of Protein,,,,,[Mn+2],
,,,MN:B:407,Part of Protein,,,,,[Mn+2],
,,,MN:B:409,Part of Protein,,,,,[Mn+2],
,,,MN:B:406,Part of Protein,,,,,[Mn+2],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,MZD:B:405,valid,,,,,C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2[C@@H]5C[C@H](C3)[C@](C4)(O5)C)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O,
,,6OMR,,,,,,,
,,,MN:A:406,Part of Protein,,,,,[Mn+2],
,,,MN:A:405,Part of Protein,,,,,[Mn+2],
,,,MN:B:403,Part of Protein,,,,,[Mn+2],
,,,MN:A:404,Part of Protein,,,,,[Mn+2],
,,,MN:B:404,Part of Protein,,,,,[Mn+2],
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:401,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,MYM:B:402,valid,,,,,C[C@@]12CCC[C@@]([C@H]1C[C@H]([C@]34[C@H]2C[C@H](CC3)C(=C)C4)O)(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O,
,Family. Representative Entry is ,6O5U,,,,,,,
,,,KAN:A:301,valid,Kd,=,42,uM,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,6BC3,,,,,,,
,,,SIS:A:302,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6BC5,,,,,,,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6BC7,,,,,,,
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,SIS:A:301,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,
,,6BC2,,,,,,,
,,,DVM:A:301,valid,,,,,CC(=O)N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]2[C@@H](CC=C(O2)CN)N)O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,6BC4,,,,,,,
,,,ACO:A:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6UPR,,,,,,,
,,,GTP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GDP:A:1401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5N8V,,,,,,,
,,,CL:B:104,invalid,,,,,[Cl-],
,,,CL:A:106,invalid,,,,,[Cl-],
,,,BME:B:103,invalid,,,,,C(CS)O,
,,,BME:F:102,invalid,,,,,C(CS)O,
,,,BME:D:104,invalid,,,,,C(CS)O,
,,,BME:A:105,invalid,,,,,C(CS)O,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KZZ:F:101,valid,Ki,=,0.207,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3,
,,,KZZ:D:101,valid,Ki,=,0.207,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3,
,,,KZZ:A:101,valid,Ki,=,0.207,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3,
,,,KZZ:B:101,valid,Ki,=,0.207,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCN)C(=O)NCc5cccc6c5cccc6)C3,
,,5L87,,,,,,,
,,,6RD:A:101,valid,Ki,=,8.43,uM,Cn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5c[nH]c6c5cccc6,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,6SPT,,,,,,,
,,,CL:A:107,invalid,,,,,[Cl-],
,,,CL:A:106,invalid,,,,,[Cl-],
,,,CL:A:105,invalid,,,,,[Cl-],
,,,CL:A:108,invalid,,,,,[Cl-],
,,,FTW:A:101,valid,,,,,CC(C)(CO)NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(CC2)Cc5ccc(c6c5cccc6)OC,
,,,BME:A:103,invalid,,,,,C(CS)O,
,,,BME:A:104,invalid,,,,,C(CS)O,
,,,BME:A:102,invalid,,,,,C(CS)O,
,,5L8A,,,,,,,
,,,EDO:D:102,invalid,,,,,C(CO)O,
,,,6RB:D:101,valid,Ki,=,12.3,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3,
,,,6RB:B:101,valid,Ki,=,12.3,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3,
,,,6RB:A:101,valid,Ki,=,12.3,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3,
,,,6RB:C:101,valid,Ki,=,12.3,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)NCc5ccccc5)C3,
,,,NA:C:102,Part of Protein,,,,,[Na+],
,,,GLY:A:102,invalid,,,,,C(C(=O)O)N,
,,6RT2,,,,,,,
,,,CV5:B:101,valid,Kd,=,646,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3,
,,,CV5:A:101,valid,Kd,=,646,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3,
,,,CV5:D:101,valid,Kd,=,646,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3,
,,,CV5:C:101,valid,Kd,=,646,uM,COc1ccc(c2c1cccc2)CN3CCc4c(c(nn4CCO)C(=O)N[C@@H](CC(=O)O)c5ccccc5)C3,
,,,BME:A:103,invalid,,,,,C(CS)O,
,,,BME:D:104,invalid,,,,,C(CS)O,
,,,BME:B:105,invalid,,,,,C(CS)O,
,,,BME:C:102,invalid,,,,,C(CS)O,
,,,SO4:B:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4J8B,,,,,,,
,,,LEU LYS THR LYS LEU LEU:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(C)C)CCCC[NH3+])C(O)C)CCCC[NH3+])CC(C)C)CC(C)C,
,Family. Representative Entry is ,3DZT,,,,,,,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,EAH:A:305,valid,Kd,=,60.2,nM,CCCCCC=C/CC=C/C=C/C=CC[C@H](CCCC(=O)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:309,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:306,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,3DYE,,,,,,,
,,,BR:A:304,invalid,,,,,[Br-],
,,,BR:A:305,invalid,,,,,[Br-],
,,,BR:A:371,invalid,,,,,[Br-],
,,,BR:A:526,invalid,,,,,[Br-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,LNR:A:600,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,Family. Representative Entry is ,6BR8,,,,,,,
,,,6OU:B:405,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:B:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:405,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:B:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:B:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,PGV:B:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,Family. Representative Entry is ,6OCL,,,,,,,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:602,invalid,,,,,CC(=O)[O-],
,,,M5A:A:601,valid,Ka,=,63000,M^-1,C[C@@H](c1ccc(cc1)C(=O)c2cccs2)C(=O)O,
,,6OCK,,,,,,,
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,ACT:A:603,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,ACT:A:604,invalid,,,,,CC(=O)[O-],
,,,2J3:A:610,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O,
,,,2J3:A:611,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)O,
,,,9KL:A:602,valid,Ka,=,20400,M^-1,C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O,
,,,9KL:A:601,valid,Ka,=,20400,M^-1,C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O,
,,,POG:A:609,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O,
,,,PGE:A:608,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,4P86,,,,,,,
,,,5GP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4X5Y,,,,,,,
,,,EPE:A:610,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,3XW:A:601,valid,Kd,=,9.3,nM,Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:609,invalid,,,,,C(CO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,5DDE,,,,,,,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,5A0:A:601,valid,ic50,=,65,nM,CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C,
,,,5A0:A:602,valid,ic50,=,65,nM,CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)F)C,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:610,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:A:612,invalid,,,,,C(CO)O,
,,4OG4,,,,,,,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,TBF:A:611,invalid,,,,,CC(C)(C)OC=O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,2VK:A:602,valid,Kd,=,952,nM,c1ccc(cc1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4OG5,,,,,,,
,,,2S7:A:601,valid,ic50,=,302,nM,c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,TBF:A:609,invalid,,,,,CC(C)(C)OC=O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,5DDB,,,,,,,
,,,59Q:A:601,valid,ic50,=,82,nM,c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)F)CC(F)(F)F,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:613,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:606,invalid,,,,,C(COCCO)O,
,,5DB3,,,,,,,
,,,PG4:A:602,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:611,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:601,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,58Q:A:610,valid,ic50,=,12,nM,Cc1c2cc(n(c2cc(c1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)OC)Cc6c[nH]nc6)C#N,
,,5DDC,,,,,,,
,,,59V:A:601,valid,ic50,=,92,nM,c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)C(F)(F)F)CC(F)(F)F,
,,,PEG:A:607,invalid,,,,,C(COCCO)O,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,EPE:A:608,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:A:605,invalid,,,,,C(COCCOCCO)O,
,,4OG3,,,,,,,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,2S6:A:602,valid,Kd,=,285,nM,c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DB1,,,,,,,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,PG4:A:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:612,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:609,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,58O:A:601,valid,ic50,=,22,nM,COc1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N,
,,4OG8,,,,,,,
,,,PGA:A:608,invalid,,,,,C(C(=O)O)OP(=O)(O)O,
,,,TBF:A:611,invalid,,,,,CC(C)(C)OC=O,
,,,TBF:A:601,invalid,,,,,CC(C)(C)OC=O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,2SF:A:602,valid,ic50,=,56,nM,c1ccc(cc1)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)N,
,,5DB2,,,,,,,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,58R:A:601,valid,ic50,=,25,nM,c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2CC(=O)N)C#N,
,,,PEG:A:611,invalid,,,,,C(COCCO)O,
,,5DDA,,,,,,,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:605,invalid,,,,,C(COCCOCCO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:613,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,59M:A:601,valid,ic50,=,1653,nM,c1c(sc2c1c(ncn2)N3CCN(CC3)c4nnc(s4)CF)CC(F)(F)F,
,,5DDF,,,,,,,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,5A1:A:601,valid,ic50,=,674,nM,CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C,
,,4OG6,,,,,,,
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,PG4:A:603,invalid,,,,,C(COCCOCCOCCO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,2S9:A:602,valid,ic50,=,197,nM,c1cc(cc(c1)F)[C@@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)C#N)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5DD9,,,,,,,
,,,59K:A:601,valid,ic50,=,779,nM,Cc1nnc(s1)N2CCN(CC2)c3c4cc(sc4ncn3)CC(F)(F)F,
,,,DMS:A:612,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:613,invalid,,,,,CS(=O)C,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,PG4:A:604,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGE:A:606,invalid,,,,,C(COCCOCCO)O,
,,4X5Z,,,,,,,
,,,3XY:A:605,valid,Kd,=,23.6,nM,c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc([nH]2)C#N,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:606,invalid,,,,,C(COCCOCCOCCO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,4OG7,,,,,,,
,,,2SE:A:602,valid,ic50,=,114,nM,c1ccnc(c1)[C@](C2CCCC2)(C3CCN(CC3)CCCOc4ccc(cc4)S(=O)(=O)N)O,
,,,PEG:A:604,invalid,,,,,C(COCCO)O,
,,,PEG:A:605,invalid,,,,,C(COCCO)O,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,PGE:A:603,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:601,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PKC,,,,,,,
,,,OP4:B:601,valid,,,,,CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F,
,,,OP4:A:601,valid,,,,,CC(C)N(C(C)C)C(=O)c1cc(ccc1Oc2cncnc2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)C)F,
,,5DB0,,,,,,,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:613,invalid,,,,,CS(=O)C,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PG4:A:608,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:601,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:611,invalid,,,,,C(COCCOCCOCCO)O,
,,,6E6:A:612,valid,ic50,=,42,nM,c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@H](CO)O)C#N,
,,,58P:A:610,valid,ic50,=,46,nM,c1cc2c(cc1CN3CCC(CC3)Nc4c5cc(sc5ncn4)CC(F)(F)F)cc(n2C[C@@H](CO)O)C#N,
,,6O5I,,,,,,,
,,,DMS:A:602,invalid,,,,,CS(=O)C,
,,,DMS:A:603,invalid,,,,,CS(=O)C,
,,,DMS:A:604,invalid,,,,,CS(=O)C,
,,,DMS:A:605,invalid,,,,,CS(=O)C,
,,,SO4:A:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LMY:A:601,valid,Ki,=,0.51,mM,Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)CN5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F,
,,,PG4:A:609,invalid,,,,,C(COCCOCCOCCO)O,
,,5DDD,,,,,,,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:610,invalid,,,,,C(COCCO)O,
,,,59X:A:601,valid,ic50,=,260,nM,CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)CCF)C,
,,,DMS:A:607,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,PG4:A:609,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,6NV1,,,,,,,
,,,OLC:G:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:E:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:F:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:H:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:E:102,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:D:101,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,E01:A:102,valid,,,,,C1CC2(CCC1N)C3CC4CC(C3)CC2C4,
,,,E01:F:102,valid,,,,,C1CC2(CCC1N)C3CC4CC(C3)CC2C4,
,,,CL:H:102,invalid,,,,,[Cl-],
,,,CL:B:102,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1W3R,,,,,,,
,,,2MN:A:1198,valid,,,,,Cc1ncc(n1CCO)[N+](=O)[O-],
,,,ACT:A:1196,invalid,,,,,CC(=O)[O-],
,,,PYR:A:1197,valid,,,,,CC(=O)C(=O)O,
,,1W3O,,,,,,,
,,,ACT:A:1207,invalid,,,,,CC(=O)[O-],
,,,PYR:A:1208,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,3KPB,,,,,,,
,,,GOL:B:3000,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4000,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:5000,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1101,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1102,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:1000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:1000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:D:1000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3KPC,,,,,,,
,,,MTA:A:3615,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:1000,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5HCF,,,,,,,
,,,BGC:F:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,ACY:A:401,invalid,,,,,CC(=O)O,
,,,ACY:E:402,invalid,,,,,CC(=O)O,
,,,ACY:A:402,invalid,,,,,CC(=O)O,
,,,ACY:E:401,invalid,,,,,CC(=O)O,
,,,ACY:C:401,invalid,,,,,CC(=O)O,
,Family. Representative Entry is ,3EJW,,,,,,,
,,,PAV:A:400,valid,,,,,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,,,PAV:B:400,valid,,,,,C[C@@]1(C([C@H](CO1)O)(O)O)O,
,Family. Representative Entry is ,1OKC,,,,,,,
,,,CDL:A:800,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:A:801,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:A:802,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CXT:A:401,valid,,,,,CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O,
,,,LDM:A:903,invalid,,,,,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],
,,,LDM:A:904,invalid,,,,,CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-],
,,,PC1:A:980,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:981,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:982,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PC1:A:983,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,5WHU,,,,,,,
,,,CL:A:205,invalid,,,,,[Cl-],
,,,CL:F:205,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,CL:J:207,invalid,,,,,[Cl-],
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:G:206,invalid,,,,,[Cl-],
,,,CL:D:205,invalid,,,,,[Cl-],
,,,CL:I:207,invalid,,,,,[Cl-],
,,,CL:A:206,invalid,,,,,[Cl-],
,,,CL:G:205,invalid,,,,,[Cl-],
,,,CL:F:207,invalid,,,,,[Cl-],
,,,CL:I:208,invalid,,,,,[Cl-],
,,,CL:H:211,invalid,,,,,[Cl-],
,,,CL:E:208,invalid,,,,,[Cl-],
,,,CL:J:208,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:H:210,invalid,,,,,[Cl-],
,,,CL:F:206,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,CL:I:210,invalid,,,,,[Cl-],
,,,CL:C:205,invalid,,,,,[Cl-],
,,,CL:I:209,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,PEG:G:203,invalid,,,,,C(COCCO)O,
,,,PEG:A:204,invalid,,,,,C(COCCO)O,
,,,PEG:H:207,invalid,,,,,C(COCCO)O,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,PEG:H:209,invalid,,,,,C(COCCO)O,
,,,PEG:F:202,invalid,,,,,C(COCCO)O,
,,,PEG:E:207,invalid,,,,,C(COCCO)O,
,,,PEG:J:206,invalid,,,,,C(COCCO)O,
,,,PEG:F:203,invalid,,,,,C(COCCO)O,
,,,PEG:H:208,invalid,,,,,C(COCCO)O,
,,,PEG:G:204,invalid,,,,,C(COCCO)O,
,,,PEG:F:204,invalid,,,,,C(COCCO)O,
,,,SIA:A:203,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,TRS:H:212,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:D:206,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:I:206,Part of Protein,,,,,[Ca+2],
,,,CA:F:201,Part of Protein,,,,,[Ca+2],
,,,CA:G:202,Part of Protein,,,,,[Ca+2],
,,,CA:H:206,Part of Protein,,,,,[Ca+2],
,,,CA:H:205,Part of Protein,,,,,[Ca+2],
,,,CA:E:206,Part of Protein,,,,,[Ca+2],
,,,CA:J:205,Part of Protein,,,,,[Ca+2],
,,,MES:J:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:G:201,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC GAL SIA:P:1,valid,,,,,,
,,,GLC GAL SIA:O:1,valid,,,,,,
,,,GLC GAL SIA:R:1,valid,,,,,,
,,,GLC GAL SIA:L:1,valid,,,,,,
,,,GLC GAL SIA:M:1,valid,,,,,,
,,,GLC GAL SIA:S:1,valid,,,,,,
,,,GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4EMJ,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FES:B:201,Part of Protein,,,,,S1[Fe]S[Fe]1,
,Family. Representative Entry is ,4WEI,,,,,,,
,,,GLC GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,4POS,,,,,,,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:J:402,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:H:404,invalid,,,,,C(CO)O,
,,,EDO:H:402,invalid,,,,,C(CO)O,
,,,EDO:E:402,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:I:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:F:405,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:G:402,invalid,,,,,C(CO)O,
,,,EDO:H:405,invalid,,,,,C(CO)O,
,,,EDO:I:404,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:I:405,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:J:401,Part of Protein,,,,,[Ca+2],
,,,CA:I:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:H:401,Part of Protein,,,,,[Ca+2],
,,,IPA:I:406,invalid,,,,,CC(C)O,
,,,IPA:G:404,invalid,,,,,CC(C)O,
,,,IPA:C:403,invalid,,,,,CC(C)O,
,,,IPA:J:403,invalid,,,,,CC(C)O,
,,,IPA:F:406,invalid,,,,,CC(C)O,
,,,IPA:E:404,invalid,,,,,CC(C)O,
,,,IPA:A:408,invalid,,,,,CC(C)O,
,,,IPA:H:406,invalid,,,,,CC(C)O,
,,,IPA:D:404,invalid,,,,,CC(C)O,
,,,IPA:B:406,invalid,,,,,CC(C)O,
,,,NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:P:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:S:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4POR,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:J:402,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:H:404,invalid,,,,,C(CO)O,
,,,EDO:H:402,invalid,,,,,C(CO)O,
,,,EDO:E:402,invalid,,,,,C(CO)O,
,,,EDO:E:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:G:405,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:I:402,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:G:402,invalid,,,,,C(CO)O,
,,,EDO:H:405,invalid,,,,,C(CO)O,
,,,EDO:I:404,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:J:401,Part of Protein,,,,,[Ca+2],
,,,CA:I:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:H:401,Part of Protein,,,,,[Ca+2],
,,,IPA:E:406,invalid,,,,,CC(C)O,
,,,IPA:A:405,invalid,,,,,CC(C)O,
,,,IPA:D:406,invalid,,,,,CC(C)O,
,,,IPA:C:406,invalid,,,,,CC(C)O,
,,,IPA:F:405,invalid,,,,,CC(C)O,
,,,IPA:B:405,invalid,,,,,CC(C)O,
,,,IPA:J:403,invalid,,,,,CC(C)O,
,,,IPA:I:405,invalid,,,,,CC(C)O,
,,,IPA:H:406,invalid,,,,,CC(C)O,
,,,IPA:G:406,invalid,,,,,CC(C)O,
,,,BGC GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:O:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:M:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:S:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:R:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,4POT,,,,,,,
,,,NAG GAL NGC:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:R:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:M:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:O:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:T:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:S:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,NAG GAL NGC:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:J:402,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:G:406,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:H:402,invalid,,,,,C(CO)O,
,,,EDO:E:402,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:G:405,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:I:402,invalid,,,,,C(CO)O,
,,,EDO:J:403,invalid,,,,,C(CO)O,
,,,EDO:F:402,invalid,,,,,C(CO)O,
,,,EDO:G:402,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:J:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:J:401,Part of Protein,,,,,[Ca+2],
,,,CA:I:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:H:401,Part of Protein,,,,,[Ca+2],
,,,IPA:I:404,invalid,,,,,CC(C)O,
,,,IPA:G:407,invalid,,,,,CC(C)O,
,,,IPA:D:406,invalid,,,,,CC(C)O,
,,,IPA:H:404,invalid,,,,,CC(C)O,
,,,IPA:J:405,invalid,,,,,CC(C)O,
,,,IPA:C:406,invalid,,,,,CC(C)O,
,,,IPA:F:405,invalid,,,,,CC(C)O,
,,,IPA:B:404,invalid,,,,,CC(C)O,
,,,IPA:E:404,invalid,,,,,CC(C)O,
,,,IPA:A:404,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,5DRN,,,,,,,
,,,GOL:L:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:302,invalid,,,,,C(C(CO)O)O,
,,,5CT:L:303,valid,,,,,C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N,
,,,5CT:B:301,valid,,,,,C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5HA0,,,,,,,
,,,LTD:A:201,valid,Kd,<,1,nM,CCCCC/C=CC/C=CC=CC=C[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)N,
,,5HAE,,,,,,,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,EAH:A:201,valid,,,,,CCCCCC=C/CC=C/C=C/C=CC[C@H](CCCC(=O)O)O,
,,5H9L,,,,,,,
,,,GSH:A:202,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,EAH:A:201,valid,,,,,CCCCCC=C/CC=C/C=C/C=CC[C@H](CCCC(=O)O)O,
,,5H9N,,,,,,,
,,,LTX:A:201,valid,Ka,=,21000000,M^-1,CCCCC/C=CC/C=CC=CC=C[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3GXA,,,,,,,
,,,MET:D:400,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:E:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:F:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SO4:A:16,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:14,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:15,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:8,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:9,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:10,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:12,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:13,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3E85,,,,,,,
,,,BSU:A:158,valid,Kd,=,4.2,uM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,,,BSU:A:159,valid,Kd,=,4.2,uM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,,,BSU:A:160,valid,Kd,=,4.2,uM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,,,BSU:A:161,valid,Kd,=,4.2,uM,c1ccc(cc1)NC(=O)Nc2ccccc2,
,,,NA:A:162,Part of Protein,,,,,[Na+],
,,,NA:A:163,Part of Protein,,,,,[Na+],
,,2QIM,,,,,,,
,,,CA:A:158,Part of Protein,,,,,[Ca+2],
,,,GOL:A:163,invalid,,,,,C(C(CO)O)O,
,,,ZEA:A:159,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:160,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:161,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:162,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,5MXB,,,,,,,
,,,ML1:A:222,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:A:220,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,UNL:A:209,invalid,,,,,NULL,
,,,UNL:A:219,invalid,,,,,NULL,
,,,UNL:A:205,invalid,,,,,NULL,
,,,UNL:A:207,invalid,,,,,NULL,
,,,NA:A:221,Part of Protein,,,,,[Na+],
,,,UNL UNL:A:201,invalid,,,,,,
,,5MXW,,,,,,,
,,,UNL:A:203,invalid,,,,,NULL,
,,,UNL:A:210,invalid,,,,,NULL,
,,,UNL:A:205,invalid,,,,,NULL,
,,,UNL:A:215,invalid,,,,,NULL,
,,,UNL:A:214,invalid,,,,,NULL,
,,,UNL:A:216,invalid,,,,,NULL,
,,,UNL:A:201,invalid,,,,,NULL,
,,,UNL:A:202,invalid,,,,,NULL,
,,,UNL:A:211,invalid,,,,,NULL,
,,,UNL:A:208,invalid,,,,,NULL,
,,,UNL:A:204,invalid,,,,,NULL,
,,,UNL:A:206,invalid,,,,,NULL,
,,,NA:A:217,Part of Protein,,,,,[Na+],
,,,ZEA:A:219,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ML1:A:218,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,UNL UNL:A:207,invalid,,,,,,
,,,UNL UNL:A:212,invalid,,,,,,
,Family. Representative Entry is ,6JC7,,,,,,,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,ACY:B:604,invalid,,,,,CC(=O)O,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,ACY:B:603,invalid,,,,,CC(=O)O,
,,,ACY:C:603,invalid,,,,,CC(=O)O,
,,,F0G:D:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,,F0G:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,,F0G:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,,F0G:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](C)C(=O)O)O,
,,5DDW,,,,,,,
,,,5B6:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O,
,,,5B6:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O,
,,,5B6:D:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O,
,,,5B6:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/c2cc(cc(n2)c3ccccn3)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,6JC9,,,,,,,
,,,PLP:A:601,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:601,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:D:601,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:601,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GLN:C:603,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,,ACY:B:602,invalid,,,,,CC(=O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,6JC8,,,,,,,
,,,PL6:D:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,PL6:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,PL6:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,PL6:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@@H](CCC(=O)O)C(=O)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,5DDU,,,,,,,
,,,PGE:A:604,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:603,invalid,,,,,C(C(CO)O)O,
,,,PMP:B:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:601,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,2JHP,,,,,,,
,,,GUN:A:1647,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,GUN:A:1648,valid,,,,,c1[nH]c2c(n1)C(=O)NC(=N2)N,
,,,SAH:A:1645,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:1646,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,2R5A,,,,,,,
,,,MLZ:A:436,valid,Kd,=,2500,uM,CNCCCC[C@@H](C(=O)O)N,
,,2R58,,,,,,,
,,,MLY:A:436,valid,,,,,CN(C)CCCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5MTE,,,,,,,
,,,NI:B:204,Part of Protein,,,,,[Ni+2],
,,,NI:A:203,Part of Protein,,,,,[Ni+2],
,,,NI:B:203,Part of Protein,,,,,[Ni+2],
,,,BB2:A:201,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,BB2:B:201,valid,,,,,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6RHC,,,,,,,
,,,MG:P:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,K48:A:305,valid,,,,,[H]/N=C(c1cc(c(s1)N)c2ccccc2)/N,
,,6RJL,,,,,,,
,,,K5Z:P:201,valid,,,,,[H]/N=C(c1cc(c(s1)CCCN)c2ccccc2)/N,
,,6RP6,,,,,,,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,KDK:A:301,valid,,,,,[H]/N=C(/c1cc(c(s1)CC2CCNCC2)c3ccccc3)N,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,6SLW,,,,,,,
,,,L1T:A:301,valid,,,,,[H]/N=C(c1cc(c(s1)c2ccccc2)C)/N,
,,,L1T:A:302,valid,,,,,[H]/N=C(c1cc(c(s1)c2ccccc2)C)/N,
,,6RJQ,,,,,,,
,,,JT2:A:301,invalid,,,,,[H]/N=C(c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N,
,,,JT2:A:302,valid,,,,,[H]/N=C(c1cc2c(cc(cc2s1)CS)N[C@@H](C)CN)/N,
,Family. Representative Entry is ,6C5K,,,,,,,
,,,NO3:B:301,invalid,,,,,[N+](=O)([O-])[O-],
,,,NAG NAG FUC:E:1,invalid,,,,,,
,,,NAG NAG FUC:C:1,invalid,,,,,,
,,,GP1 Z9M KDO KDO KDO:D:1,valid,Kd,=,68.5,nM,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1)([O-])[O-],
,,,GP1 Z9M KDO KDO KDO:F:1,valid,Kd,=,68.5,nM,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1)([O-])[O-],
,Family. Representative Entry is ,5N18,,,,,,,
,,,8HZ:A:501,valid,Kd,=,2.1,uM,Cc1ccc(cc1)Nc2c(nc3n2cccc3C)c4ccc(cc4)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6U2S,,,,,,,
,,,PQJ:A:401,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,,,PQJ:A:402,valid,,,,,CCCCCCCCCCCCCCOP(=O)(O)OCC[N](C)(C)C,
,Family. Representative Entry is ,2E3N,,,,,,,
,,,6CM:A:600,valid,,,,,CCCCCCCCCCCCCC=C[C@H]([C@H](CO)NC(=O)CCCCC)O,
,,3H3R,,,,,,,
,,,14H:A:600,valid,,,,,CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,,14H:B:600,valid,,,,,CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,2E3R,,,,,,,
,,,18C:A:1100,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,,18C:B:1200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,3H3S,,,,,,,
,,,H15:A:600,valid,,,,,CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO,
,,,H15:B:600,valid,,,,,CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO,
,,2E3P,,,,,,,
,,,16C:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,,16C:B:700,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,2Z9Y,,,,,,,
,,,DDR:A:1,valid,,,,,CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC,
,,3H3Q,,,,,,,
,,,H13:A:600,valid,,,,,CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,,H13:B:600,valid,,,,,CCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,2Z9Z,,,,,,,
,,,DDR:A:1,valid,,,,,CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC,
,,2E3O,,,,,,,
,,,16C:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,,DMS:A:701,invalid,,,,,CS(=O)C,
,,,DMS:A:702,invalid,,,,,CS(=O)C,
,,3H3T,,,,,,,
,,,16H:A:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,,16H:B:600,valid,,,,,CCCCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO,
,,2E3Q,,,,,,,
,,,18C:A:600,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O,
,,,DMS:A:700,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,2O66,,,,,,,
,,,FLC:A:201,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:202,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:203,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,2O67,,,,,,,
,,,MLI:B:135,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:136,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:135,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,3TFC,,,,,,,
,,,CL:A:363,invalid,,,,,[Cl-],
,,,CL:B:363,invalid,,,,,[Cl-],
,,,MN:A:362,Part of Protein,,,,,[Mn+2],
,,,MN:B:362,Part of Protein,,,,,[Mn+2],
,,,PEP:A:1268,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,,,PEP:B:1269,valid,,,,,C=C(C(=O)O)OP(=O)(O)O,
,Family. Representative Entry is ,1I2B,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:1402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,USQ:A:2402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)O)O)O)O)O,
,,1I2C,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1I24,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,1QRR,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,2D5A,,,,,,,
,,,COA:A:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2E6U,,,,,,,
,,,CA:X:201,Part of Protein,,,,,[Ca+2],
,,,CL:X:202,invalid,,,,,[Cl-],
,,,CL:X:203,invalid,,,,,[Cl-],
,,,CL:X:204,invalid,,,,,[Cl-],
,,,COA:X:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,3HZL,,,,,,,
,,,6PC:A:399,valid,Kd,=,3000,uM,c1ccnc(c1)C(=O)O,
,,,FAD:A:398,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:400,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:401,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,2Q6U,,,,,,,
,,,BEZ:A:501,valid,,,,,c1ccc(cc1)C(=O)O,
,,,FAD:A:401,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MET:A:110,Part of Protein,,,,,CSCC[C@@H](C(=O)O)N,
,,2OLN,,,,,,,
,,,6PC:A:5001,valid,,,,,c1ccnc(c1)C(=O)O,
,,,FAD:A:1001,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NA:A:9001,Part of Protein,,,,,[Na+],
,,2OLO,,,,,,,
,,,6PC:A:2001,valid,,,,,c1ccnc(c1)C(=O)O,
,,,FAD:A:1001,Part of Protein,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MPD:A:3001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:3002,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,5E7G,,,,,,,
,,,EDO:A:516,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:517,invalid,,,,,C(CO)O,
,,,SO4:A:512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:510,Part of Protein,,,,,[Ca+2],
,,,BGC BGC BGC XYS BGC XYS BGC XYS BGC:B:1,valid,Ka,=,20000,M^-1,O(CC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(CO)O3)C(COC3C(O)C(O)C(O)CO3)O2)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2COC2C(O)C(O)C(O)CO2)O1)C1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,2RKN,,,,,,,
,,,LP3:A:101,valid,Kd,=,0.06,uM,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LP3:A:102,valid,Kd,=,0.06,uM,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2EXX,,,,,,,
,,,GOL:A:2647,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:3698,valid,Kd,=,13.5,uM,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,1XPJ,,,,,,,
,,,TLA:A:303,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:C:302,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:D:304,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,3BHO,,,,,,,
,,,B4P:A:800,valid,Kd,=,2.44,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N,
,Family. Representative Entry is ,2PXX,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,UNX:A:300,invalid,,,,,*,
,Family. Representative Entry is ,7BVZ,,,,,,,
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,K:A:403,Part of Protein,,,,,[K+],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,7BVY,,,,,,,
,,,MG:A:403,invalid,,,,,[Mg+2],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:404,Part of Protein,,,,,[K+],
,Family. Representative Entry is ,5LNE,,,,,,,
,,,A2G GAL:D:1,valid,Kd,=,17.43,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:C:1,valid,Kd,=,17.43,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NI:B:203,invalid,,,,,[Ni+2],
,Family. Representative Entry is ,3DOE,,,,,,,
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:193,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5MVR,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5NP9,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6MGC,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,C5P:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,6SDU,,,,,,,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC:E:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,6GRG,,,,,,,
,,,MG:D:706,Part of Protein,,,,,[Mg+2],
,,,MG:D:705,Part of Protein,,,,,[Mg+2],
,,,MG:D:704,Part of Protein,,,,,[Mg+2],
,,,EDO:2:403,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:1:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:1:403,invalid,,,,,C(C(CO)O)O,
,,,CL:D:707,invalid,,,,,[Cl-],
,,,ATP:2:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:1:401,Part of Protein,,,,,[Zn+2],
,,,ZN:2:401,Part of Protein,,,,,[Zn+2],
,,,PO4:D:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GOS,,,,,,,
,,,ZN:1:301,Part of Protein,,,,,[Zn+2],
,,,ZN:2:401,Part of Protein,,,,,[Zn+2],
,,,EDO:2:403,invalid,,,,,C(CO)O,
,,,EDO:2:404,invalid,,,,,C(CO)O,
,,,EDO:2:402,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:D:401,invalid,,,,,C(CO)O,
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:1:303,invalid,,,,,[Cl-],
,,,SO4:1:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,FMN:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5ZZA,,,,,,,
,,,LAB:P:201,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,LAB:A:401,valid,,,,,C[C@H]1CC[C@@H]2C[C@H](C[C@@](O2)([C@@H]3CSC(=O)N3)O)OC(=O)C=C(/CCC=C1)C,
,,,CA:A:403,invalid,,,,,[Ca+2],
,,,ATP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3TA2,,,,,,,
,,,AKG:A:120,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:120,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:120,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ATP:A:121,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:121,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:121,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:119,Part of Protein,,,,,[Mg+2],
,,,MG:B:119,Part of Protein,,,,,[Mg+2],
,,,MG:C:119,Part of Protein,,,,,[Mg+2],
,,,NI:B:122,Part of Protein,,,,,[Ni+2],
,,,NI:C:122,Part of Protein,,,,,[Ni+2],
,,3TA1,,,,,,,
,,,ADP:A:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:119,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,3TA0,,,,,,,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4JHG,,,,,,,
,,,ZEA:A:201,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,,,MLI:A:202,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4JHH,,,,,,,
,,,H35:A:201,valid,,,,,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,MLI:A:202,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,4GY9,,,,,,,
,,,MLI:A:208,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,ZIP:A:201,valid,,,,,CC(=CCNc1c2c([nH]cn2)ncn1)C,
,,,NA:A:204,Part of Protein,,,,,[Na+],
,,,NA:A:202,Part of Protein,,,,,[Na+],
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:A:205,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3TAY,,,,,,,
,,,BEN:A:1561,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,EPE:A:2691,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MN0:A:1000,valid,Kd,=,0.42,mM,CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O,
,,,MN0:B:1000,valid,Kd,=,0.42,mM,CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O,
,,,MPD:A:226,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:4210,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:225,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:4210,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1,Part of Protein,,,,,[Na+],
,,,NA:B:1,Part of Protein,,,,,[Na+],
,,,SO4:A:2000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:225,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SIT,,,,,,,
,,,MRD:A:4210,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:4210,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NA:A:3000,Part of Protein,,,,,[Na+],
,,,NA:B:3001,Part of Protein,,,,,[Na+],
,,,GLC GAL SIA:C:1,valid,,,,,,
,,,GLC GAL SIA:D:1,valid,,,,,,
,,5CA6,,,,,,,
,,,VCA:B:305,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:B:304,invalid,,,,,C(=O)O,
,,,PLM:A:307,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2I2S,,,,,,,
,,,GOL:B:4000,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:4001,invalid,,,,,C(C(CO)O)O,
,,,MNA:A:1000,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,MNA:A:1001,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,MNA:B:1002,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,MPD:A:5001,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:5000,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:6000,Part of Protein,,,,,[Na+],
,,,NA:B:6001,Part of Protein,,,,,[Na+],
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SIS,,,,,,,
,,,MN0:A:6535,invalid,,,,,CO[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)CO)O)C(=O)O,
,,,MPD:B:4210,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:3000,Part of Protein,,,,,[Na+],
,,,NA:B:3001,Part of Protein,,,,,[Na+],
,,,GLC GAL NGC:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC2C(O)C(OC3C(O)C(O)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)CO,
,Family. Representative Entry is ,2EQA,,,,,,,
,,,AMP:A:1379,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,4E1B,,,,,,,
,,,MG:A:2001,Part of Protein,,,,,[Mg+2],
,,,TXA:A:2002,valid,,,,,C[C@H]([C@@H](C(=O)O)NC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O,
,Family. Representative Entry is ,5T96,,,,,,,
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:F:401,invalid,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,FMT:C:401,invalid,,,,,C(=O)O,
,,,FMT:C:408,invalid,,,,,C(=O)O,
,,,FMT:F:404,invalid,,,,,C(=O)O,
,,,FMT:B:407,invalid,,,,,C(=O)O,
,,,FMT:F:405,invalid,,,,,C(=O)O,
,,,FMT:D:408,invalid,,,,,C(=O)O,
,,,FMT:B:408,invalid,,,,,C(=O)O,
,,,FMT:A:408,invalid,,,,,C(=O)O,
,,,FMT:B:410,invalid,,,,,C(=O)O,
,,,FMT:A:405,invalid,,,,,C(=O)O,
,,,FMT:C:404,invalid,,,,,C(=O)O,
,,,FMT:D:406,invalid,,,,,C(=O)O,
,,,FMT:C:406,invalid,,,,,C(=O)O,
,,,FMT:C:405,invalid,,,,,C(=O)O,
,,,FMT:E:404,invalid,,,,,C(=O)O,
,,,FMT:B:405,invalid,,,,,C(=O)O,
,,,FMT:F:406,invalid,,,,,C(=O)O,
,,,FMT:D:407,invalid,,,,,C(=O)O,
,,,FMT:D:412,invalid,,,,,C(=O)O,
,,,FMT:A:407,invalid,,,,,C(=O)O,
,,,FMT:A:406,invalid,,,,,C(=O)O,
,,,FMT:D:410,invalid,,,,,C(=O)O,
,,,FMT:C:407,invalid,,,,,C(=O)O,
,,,FMT:E:403,invalid,,,,,C(=O)O,
,,,FMT:D:411,invalid,,,,,C(=O)O,
,,,FMT:B:409,invalid,,,,,C(=O)O,
,,,FMT:D:409,invalid,,,,,C(=O)O,
,,,FMT:B:406,invalid,,,,,C(=O)O,
,,,79J:C:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,79J:B:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,79J:E:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,79J:F:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,79J:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,79J:D:403,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](CO)O)O)(C(=O)O)O)OC(=O)C,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4I4S,,,,,,,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,,4I4V,,,,,,,
,,,NGA:B:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:202,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,TRS:D:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:C:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4I4U,,,,,,,
,,,GLA:D:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:201,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:203,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:202,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:A:203,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,TRS:C:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:203,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4I4Y,,,,,,,
,,,A2G SER GAL:G:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:E:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:J:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:I:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:F:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,A2G SER GAL:H:1,valid,,,,,O=C([O-])C(N)COC1C(NC(=O)C)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4I4X,,,,,,,
,,,A2G GAL:K:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,5KAU,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,RHQ:A:201,valid,Kd,=,0.3,uM,CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]CC)/C=C3O2)C)c4ccccc4C(=O)OCC,
,,5KAT,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,P4P:A:201,valid,Kd,=,78.7,uM,c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,
,,5KCB,,,,,,,
,,,ET:A:201,valid,Kd,=,0.99,uM,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5KAW,,,,,,,
,,,RHQ:A:201,valid,,,,,CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]CC)/C=C3O2)C)c4ccccc4C(=O)OCC,
,,,P4P:A:202,valid,,,,,c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5VM6,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9EG:A:203,valid,ic50,=,78,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,NA:A:206,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2XIG,,,,,,,
,,,CIT:B:1149,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,ZN:A:1149,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1151,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1151,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1152,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1151,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1152,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1153,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1149,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1150,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1151,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3OJO,,,,,,,
,,,EU  PDC PDC:B:501,invalid,,,,,,
,,,NAD:A:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:500,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,PDC:A:503,invalid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:A:504,invalid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC:B:503,invalid,,,,,c1cc(nc(c1)C(=O)O)C(=O)O,
,,,PDC EU:A:502,invalid,,,,,,
,Family. Representative Entry is ,6UP4,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5HPZ,,,,,,,
,,,68G:B:1001,valid,,,,,CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C,
,,,68G:A:1001,valid,,,,,CCc1c(c2n3c1C=C4C(=C5C6=[N]4[Mg]37[N]8=C(C=C9N7C(=C6[C@](C5=O)(C(=O)OC)O)C(=C9C)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C(C8=C2)CC)C)C)C,
,Family. Representative Entry is ,6S2P,,,,,,,
,,,ADP:N:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4PB2,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,DMU:A:503,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,5UD:A:501,valid,Kd,=,16,uM,C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F,
,,4PD6,,,,,,,
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,DMU:A:503,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,URI:A:501,valid,Kd,=,36,uM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,
,Family. Representative Entry is ,5TVJ,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,7LF:A:502,valid,ic50,=,0.08,uM,Cc1ccc(cc1)C(=O)C[n+]2ccn3cccc3c2c4ccc(cc4)F,
,,5EBV,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,5LR:A:502,valid,ic50,=,0.238,uM,CC1=C(S(=O)(=O)N=C1NCCCN2CCc3ccccc3C2)c4ccc(cc4)Cl,
,,6VUS,,,,,,,
,,,RNV:A:502,valid,ic50,=,0.25,uM,CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N,
,,,RNV:A:501,valid,ic50,=,0.25,uM,CCN(CC)CCNC(=O)CSc1nc(c2c3c(sc2n1)CCCC3)N,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,5EC4,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,5LQ:A:502,valid,ic50,=,0.234,uM,CC1=C(S(=O)(=O)N=C1NCCCN2CCOCC2)c3cccc(c3)Cl,
,,5IV0,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,6E9:A:502,valid,ic50,=,5.8,uM,CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3,
,,6VV3,,,,,,,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,RM7:A:501,valid,ic50,=,0.3,uM,C1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)CC1,
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,DMS:A:502,invalid,,,,,CS(=O)C,
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6P3T,,,,,,,
,,,NH4:A:512,invalid,,,,,[NH4+],
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NRS:A:501,valid,,,,,CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC(=O)C(=O)N4,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,6VUR,,,,,,,
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:514,invalid,,,,,[Cl-],
,,,ROG:A:501,valid,ic50,=,0.15,uM,CN1CCC[C@@H](C1)CSc2nc(c3c4c(sc3n2)CCCC4)N,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:513,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,NA:A:508,Part of Protein,,,,,[Na+],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6VUX,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:504,invalid,,,,,CS(=O)C,
,,,DMS:A:507,invalid,,,,,CS(=O)C,
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,H66:A:501,valid,ic50,=,0.68,uM,CC[C@H]1CCc2c(sc3c2c(nc(n3)SCC(=O)NCCN4CCCCC4)N)C1,
,,6B3T,,,,,,,
,,,COA:A:501,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,CJ7:A:502,valid,Ki,=,0.16,uM,Cn1c2ccc(cc2c3c1nc(nn3)SCCN4CCCCC4)F,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:503,invalid,,,,,[Na+],
,,3R1K,,,,,,,
,,,ACM:A:403,valid,,,,,CC(=O)N,
,,,COA:A:500,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6VV1,,,,,,,
,,,NA:A:512,Part of Protein,,,,,[Na+],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,RMJ:A:501,valid,ic50,=,2.5,uM,C1CCN(CC1)CCNC(=O)CSc2nc(c3c4c(sc3n2)CCC4)N,
,,6P3V,,,,,,,
,,,NRV:A:501,valid,,,,,CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1,
,,,DMS:A:503,invalid,,,,,CS(=O)C,
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5D6T,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NGA:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4R2M,,,,,,,
,,,ANP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:A:201,invalid,,,,,[Mg+2],
,,4R2L,,,,,,,
,,,ATP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:A:203,invalid,,,,,[Cl-],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:A:201,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3V2U,,,,,,,
,,,ATP:C:523,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:523,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GLA:C:522,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:D:522,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GOL:A:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:524,invalid,,,,,C(C(CO)O)O,
,,,MG:C:521,Part of Protein,,,,,[Mg+2],
,,,MG:D:521,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3T6E,,,,,,,
,,,BCB:L:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BPB:L:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,DGA:C:730,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGA:H:733,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGA:L:731,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,DGA:M:732,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE2:M:500,Part of Protein,,,,,[Fe+2],
,,,GOL:C:350,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:351,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:352,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:353,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:354,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:355,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:356,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:357,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:358,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:359,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:365,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:269,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:270,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:271,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:272,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:273,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:274,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:333,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:334,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:335,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:338,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:339,invalid,,,,,C(C(CO)O)O,
,,,HEC:C:401,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:402,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:403,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:404,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HTO:C:348,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:C:349,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:266,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:267,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:268,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:274,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:275,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:M:332,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:C:712,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:C:722,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:718,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:719,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:721,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:708,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:709,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:720,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:704,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:705,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:715,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MQ9:M:501,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(C)C,
,,,NS5:M:600,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,,,SO4:C:337,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UQ9:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)C,
,,,UQ9:L:503,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)C,
,,3G7F,,,,,,,
,,,BCB:L:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BPB:L:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:401,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE2:M:500,Part of Protein,,,,,[Fe+2],
,,,HEC:C:401,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:402,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:403,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:404,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HTO:C:706,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:C:707,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:705,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:708,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:709,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:704,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MQ9:M:501,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(C)C,
,,,NS5:M:600,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,,,SO4:C:808,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:809,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:810,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:811,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:813,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:815,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:817,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:814,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:816,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:818,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:819,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UQ1:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,UQ1:M:503,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,2JBL,,,,,,,
,,,BCB:L:1274,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:1275,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:1278,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:1324,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BPB:L:1276,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:1325,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE:M:1326,Part of Protein,,,,,[Fe+3],
,,,LDA:H:1259,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1329,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1330,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1331,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1332,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1333,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MQ7:M:1327,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,NS5:M:1328,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,,,SMA:L:1277,valid,,,,,C/C=C(C)/C=C/C=C[C@@H]([C@@H](C)[C@H]([C@@H](C)CCC1=C(C(=O)c2c(cc(c(c2O1)O)OC)OC)C)OC)OC,
,,,SO4:H:1260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1334,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1335,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:1336,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEC:C:1333,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:1334,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:1335,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:1336,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,3T6D,,,,,,,
,,,BCB:L:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:400,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BPB:L:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:402,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,DGA:C:730,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE2:M:500,Part of Protein,,,,,[Fe+2],
,,,GOL:C:359,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:360,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:361,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:362,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:363,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:364,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:365,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:366,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:367,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:368,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:369,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:370,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:371,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:372,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:373,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:374,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:375,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:376,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:377,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:378,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:275,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:276,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:277,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:278,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:279,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:280,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:286,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:287,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:288,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:289,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:291,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:281,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:282,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:283,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:286,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:287,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:288,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:334,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:335,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:336,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:337,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:338,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:339,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:340,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:341,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:342,invalid,,,,,C(C(CO)O)O,
,,,HEC:C:401,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:402,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:403,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:404,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HTH:M:332,invalid,,,,,CCCC[C@H]([C@H](CO)O)O,
,,,HTO:C:355,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:C:356,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:C:357,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:C:358,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:272,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:273,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:274,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:276,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:277,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:278,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:279,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:280,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:M:333,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:C:716,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:C:722,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:718,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:719,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:720,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:721,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:708,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:709,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:710,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:711,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:712,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:723,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:724,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:704,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:705,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:713,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:714,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:715,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:717,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MQ9:M:501,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(C)C,
,,,NS5:M:600,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,,,SO4:C:337,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:338,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:340,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:341,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:342,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:343,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:344,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:345,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:346,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:347,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:348,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:349,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:350,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:353,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:354,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:260,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:261,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:262,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:263,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:264,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:265,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:266,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:267,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:268,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:269,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:270,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:271,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:274,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:275,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UQ9:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)C,
,,,UQ9:L:503,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(C)C,
,,1VRN,,,,,,,
,,,BCB:L:402,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:404,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:401,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:403,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BPB:L:406,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:405,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE2:M:500,Part of Protein,,,,,[Fe+2],
,,,HEM:C:401,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:402,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:403,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:404,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:704,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:705,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,MQ9:M:501,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)/CCC=C(/C)CCC=C(C)C,
,,,NS5:M:600,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,,,SO4:H:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:807,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:801,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UQ7:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,5NJ4,,,,,,,
,,,LDA:M:415,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:416,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:304,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:414,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,DGA:C:405,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC,
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:704,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:413,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:M:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE2:L:306,Part of Protein,,,,,[Fe+2],
,,,BCB:M:402,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:302,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:L:301,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,BCB:M:403,Part of Protein,,,,,CC=C/1c2cc3c(c4c5n3[Mg]67[n+]2c(cc8n6c(cc9[n+]7c(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]9C)CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(c8C(=O)C)C)[C@@H]1C)C,
,,,HTO:L:305,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:708,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:H:709,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HEC:C:401,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:402,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:403,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:C:404,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,BPB:L:303,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPB:M:404,Part of Protein,,,,,C/C=C1/c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,MQ7:M:401,valid,,,,,CC1=C(C(=O)c2ccccc2C1=O)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,NS5:M:405,invalid,,,,,CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=CC=C(/C)C=CC=C(/C)C=CC=C(/C)CCC=C(C)C)/C)/C)/C,
,Family. Representative Entry is ,5TV1,,,,,,,
,,,IHP:A:401,valid,Kd,=,90,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4V1T,,,,,,,
,,,MG:A:1777,Part of Protein,,,,,[Mg+2],
,,,MG:B:1777,Part of Protein,,,,,[Mg+2],
,,,MG:A:1776,Part of Protein,,,,,[Mg+2],
,,,MG:B:1776,Part of Protein,,,,,[Mg+2],
,,,MG:A:1778,Part of Protein,,,,,[Mg+2],
,,,MG:B:1778,Part of Protein,,,,,[Mg+2],
,,,ZN:A:776,Part of Protein,,,,,[Zn+2],
,,,ZN:B:776,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1779,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1779,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:A:780,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:780,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4W4S,,,,,,,
,,,B29:A:401,valid,ic50,=,9.5,uM,c1ccc2c(c1)c3cccc(c3o2)c4cccc(c4)CC(O)(P(=O)(O)O)P(=O)(O)O,
,,4XLY,,,,,,,
,,,ECP:B:701,valid,,,,,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C,
,,,ECP:A:700,valid,,,,,C/C(=CCOP(=O)(O)OP(=O)(O)O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)C)C,
,Family. Representative Entry is ,5B2E,,,,,,,
,,,HEZ:C:304,invalid,,,,,C(CCCO)CCO,
,,,HEZ:B:303,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:304,invalid,,,,,C(CCCO)CCO,
,,,HEZ:C:303,invalid,,,,,C(CCCO)CCO,
,,,HEZ:A:303,invalid,,,,,C(CCCO)CCO,
,,,MQG:A:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,MQG:C:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,MQG:B:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,,5B2F,,,,,,,
,,,MQG:A:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,MQG:C:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,MQG:B:302,valid,,,,,CP(=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:C:301,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4XOE,,,,,,,
,,,KGM:A:301,valid,Kd,=,9.9,uM,CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CAC:A:302,invalid,,,,,C[As](=O)(C)[O-],
,,6GU0,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MMA MAN:C:1,valid,Kd,=,0.000023,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,6GTV,,,,,,,
,,,1PE:B:101,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:A:301,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:C:304,invalid,,,,,C(COCCO)O,
,,,PEG:C:305,invalid,,,,,C(COCCO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,MAN MAN MAN:E:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,6GTZ,,,,,,,
,,,MMA MAN:F:1,valid,Kd,=,0.000023,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MMA MAN:E:1,valid,Kd,=,0.000023,M,O(CC1C(O)C(O)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5BTX,,,,,,,
,,,CMP:B:201,valid,Kd,=,280,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:201,valid,Kd,=,280,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,5OEC,,,,,,,
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,GDP:B:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3KIV,,,,,,,
,,,ACA:A:100,valid,Kd,=,20,uM,C(CCC(=O)O)CCN,
,Family. Representative Entry is ,4X9D,,,,,,,
,,,PEG:F:101,invalid,,,,,C(COCCO)O,
,,,CL:E:103,invalid,,,,,[Cl-],
,,,CL:C:103,invalid,,,,,[Cl-],
,,,NA:B:103,Part of Protein,,,,,[Na+],
,,,NA:A:103,Part of Protein,,,,,[Na+],
,,,NA:F:103,Part of Protein,,,,,[Na+],
,,,NA:B:102,invalid,,,,,[Na+],
,,,NA:C:102,Part of Protein,,,,,[Na+],
,,,U5P:E:104,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:104,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:F:104,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:104,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:104,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,SO4:F:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:101,invalid,,,,,C(CO)O,
,,,PG4:E:101,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:C:101,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:E:102,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:101,invalid,,,,,C(COCCOCCO)O,
,,5DY9,,,,,,,
,,,GOL:D:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,AMP:E:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:G:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,SO4:E:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:J:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:I:101,invalid,,,,,C(COCCO)O,
,,,PEG:H:101,invalid,,,,,C(COCCO)O,
,,,PEG:G:102,invalid,,,,,C(COCCO)O,
,,,NA:K:103,invalid,,,,,[Na+],
,,,NA:F:102,Part of Protein,,,,,[Na+],
,,,TRS:L:101,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:E:102,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:J:101,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CL:E:104,invalid,,,,,[Cl-],
,,,CL:H:102,invalid,,,,,[Cl-],
,,,CL:K:102,invalid,,,,,[Cl-],
,,,CL:I:102,invalid,,,,,[Cl-],
,,,CL:K:101,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2Y7I,,,,,,,
,,,ACT:A:1249,invalid,,,,,CC(=O)[O-],
,,,ACT:B:2248,invalid,,,,,CC(=O)[O-],
,,,ARG:A:1245,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:1245,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,GOL:A:1250,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2249,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1246,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1247,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1248,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2246,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2247,Part of Protein,,,,,[Zn+2],
,,,ZN:B:2250,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2WCI,,,,,,,
,,,FES:A:1114,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GSH:A:1115,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:1115,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NA:A:1116,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6WT4,,,,,,,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,4BW:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N,
,Family. Representative Entry is ,5N2D,,,,,,,
,,,8J8:B:201,valid,ic50,~,50,uM,Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC,
,,,8J8:D:201,valid,ic50,~,50,uM,Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)OC)CNCCNC(=O)C)OC,
,,5J89,,,,,,,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,6GX:C:201,valid,,,,,Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C,
,,,6GX:B:201,valid,,,,,Cc1c(cccc1c2ccccc2)COc3ccc(c(n3)OC)CNCCNC(=O)C,
,Family. Representative Entry is ,6R7W,,,,,,,
,,,EOH:A:405,invalid,,,,,CCO,
,,,EOH:A:404,invalid,,,,,CCO,
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CIT:A:406,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5WF7,,,,,,,
,,,ZN:B:8003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8007,Part of Protein,,,,,[Zn+2],
,,,A9G:B:8009,valid,ic50,=,98.5,uM,CC[C@H](C)n1cc(c2c1cc(cc2C(=O)NCC3=C(C=C(NC3=O)C)C)c4ccc(nc4)N5CCNCC5)C,
,Family. Representative Entry is ,5W99,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,A1V:A:401,valid,,,,,c1cc(nc(c1c2nc(cs2)C(=O)O)c3csc(n3)c4csc(n4)CN)c5nc(cs5)C(=O)O,
,Family. Representative Entry is ,3GJB,,,,,,,
,,,ACT:A:323,invalid,,,,,CC(=O)[O-],
,,,ACT:A:324,invalid,,,,,CC(=O)[O-],
,,,ACT:A:325,invalid,,,,,CC(=O)[O-],
,,,ACT:B:322,invalid,,,,,CC(=O)[O-],
,,,ACT:B:323,invalid,,,,,CC(=O)[O-],
,,,ACT:B:324,invalid,,,,,CC(=O)[O-],
,,,ACT:B:325,invalid,,,,,CC(=O)[O-],
,,,ACT:B:326,invalid,,,,,CC(=O)[O-],
,,,AKG:A:321,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:322,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:321,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:320,Part of Protein,,,,,[Fe+2],
,,,FE2:B:320,Part of Protein,,,,,[Fe+2],
,,,SO4:A:326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2WBV,,,,,,,
,,,GOL:A:1543,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1544,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1544,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1543,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1543,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:1543,invalid,,,,,C(C(CO)O)O,
,,,SIA:A:1545,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:1543,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:C:1543,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:E:1544,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:F:1544,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6UG7,,,,,,,
,,,EDO:H:303,invalid,,,,,C(CO)O,
,,,EDO:H:302,invalid,,,,,C(CO)O,
,,,EDO:L:302,invalid,,,,,C(CO)O,
,,,EDO:H:301,invalid,,,,,C(CO)O,
,,,EDO:L:301,invalid,,,,,C(CO)O,
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL GLA NGA GAL SIA:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC(CO)C1O)C,
,,6UG8,,,,,,,
,,,BGC GAL GLA NGA GAL SIA:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,3W7T,,,,,,,
,,,BMA:A:1005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1006,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:B:1002,invalid,,,,,[Mg+2],
,,3W7S,,,,,,,
,,,GLC:B:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1006,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1004,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1006,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:A:1005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1002,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1007,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:1005,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,3W7U,,,,,,,
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,GLA:A:1002,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLA:B:1002,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,3W7W,,,,,,,
,,,MG:B:804,Part of Protein,,,,,[Mg+2],
,,,MG:B:801,invalid,,,,,[Mg+2],
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,MG:A:1002,invalid,,,,,[Mg+2],
,,,MG:A:1004,invalid,,,,,[Mg+2],
,,,MG:A:1005,Part of Protein,,,,,[Mg+2],
,,,MG:B:803,invalid,,,,,[Mg+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:B:802,Part of Protein,,,,,[Ca+2],
,,,GLA GLC:D:1,valid,,,,,,
,,,GLA GLC:C:1,valid,,,,,,
,,5CA3,,,,,,,
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,MG:A:1003,invalid,,,,,[Mg+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,GLC:B:1005,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,BGC:B:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GAL:D:1,valid,,,,,,
,,,GLC GAL:C:1,valid,,,,,,
,,5GW7,,,,,,,
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
,,,BGC:A:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:1003,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GAL:C:1,valid,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,Family. Representative Entry is ,5YSQ,,,,,,,
,,,INS:A:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5YSP,,,,,,,
,,,INS:A:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:301,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MDN:A:302,valid,,,,,C(P(=O)(O)O)P(=O)(O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4PI8,,,,,,,
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:316,invalid,,,,,[Cl-],
,,,CL:A:315,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:317,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMU NAG:B:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
,,4PI7,,,,,,,
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,SO4:A:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMU NAG:B:1,valid,,,,,O=C([O-])C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(CO)OC(O)C1NC(=O)C)C,
,,4PI9,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,3LT:A:311,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C,
,Family. Representative Entry is ,5W76,,,,,,,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,GDP:A:404,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PGE:A:403,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3KXC,,,,,,,
,,,PLM:A:181,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4GQP,,,,,,,
,,,B40:H:1201,valid,Kd,=,0.79,nM,C[C@@H](Cc1ccccc1)NC,
,,3GKZ,,,,,,,
,,,B40:A:500,valid,Kd,=,10,nM,C[C@@H](Cc1ccccc1)NC,
,,3GM0,,,,,,,
,,,B41:A:600,valid,Kd,=,17,nM,C[C@@H](Cc1ccc2c(c1)OCO2)NC,
,Family. Representative Entry is ,4LKK,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:C:1,valid,Kd,=,0.33,uM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4N62,,,,,,,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NGS GAL SIA:G:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(NC(=O)C)C(O)O1)[O-],
,,,NGS GAL SIA:F:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(NC(=O)C)C(O)O1)[O-],
,,4BSH,,,,,,,
,,,SO4:A:1319,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1172,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1322,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1173,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1171,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1323,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,6IDB,,,,,,,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:804,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4BSB,,,,,,,
,,,SO4:A:1330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1173,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1332,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1176,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1317,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1318,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4LN8,,,,,,,
,,,NAG:B:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:G:408,Part of Protein,,,,,[Ca+2],
,,,CA:E:410,Part of Protein,,,,,[Ca+2],
,,,CA:K:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:412,Part of Protein,,,,,[Ca+2],
,,,CA:C:411,Part of Protein,,,,,[Ca+2],
,,,CA:I:407,Part of Protein,,,,,[Ca+2],
,,,NAG NAG FUC BMA:M:1,invalid,,,,,,
,,,NAG NAG FUC BMA:P:1,invalid,,,,,,
,,,NAG NAG FUC BMA:S:1,invalid,,,,,,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:V:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:X:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:Z:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:T:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG SIA:U:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)CC(NC(=O)C)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:Y:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:A:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:W:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,4BSD,,,,,,,
,,,SO4:A:1330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1173,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1332,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1329,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1174,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1333,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1326,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1325,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1175,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1324,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1176,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:1319,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1317,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1318,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1320,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5T6S,,,,,,,
,,,NAG:B:204,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:203,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:H:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:K:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:203,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,75U:B:202,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,75U:L:201,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,75U:J:201,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,75U:H:201,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,75U:F:201,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,75U:B:201,valid,,,,,CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3,
,,,NAG NAG BMA:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:R:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:S:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NA:J:204,invalid,,,,,[Na+],
,Family. Representative Entry is ,5D3X,,,,,,,
,,,4IP:A:501,valid,Kd,=,440,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:501,valid,Kd,=,440,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,5D3Y,,,,,,,
,,,4IP:A:501,valid,Kd,=,440,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:501,valid,Kd,=,440,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,5D3V,,,,,,,
,,,FLC:A:501,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,2CBT,,,,,,,
,,,TH2:A:1120,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C,
,,,TH2:B:2120,valid,,,,,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C,
,Family. Representative Entry is ,6SA8,,,,,,,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,Family. Representative Entry is ,6GFA,,,,,,,
,,,ATP:A:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:A:401,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5MY4,,,,,,,
,,,PCA PHE ARG HIS ASP SER GLY TYR GLU VAL:C:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)Cc1ccccc1)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(=O)[O-],
,Family. Representative Entry is ,3R51,,,,,,,
,,,MMA:A:200,valid,Kd,=,142,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4DDN,,,,,,,
,,,AMG:A:200,valid,Kd,=,244,uM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:B:200,valid,Kd,=,244,uM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:C:200,valid,Kd,=,244,uM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,AMG:D:200,valid,Kd,=,244,uM,CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,3R52,,,,,,,
,,,CD:B:250,invalid,,,,,[Cd+2],
,,,CD:C:250,invalid,,,,,[Cd+2],
,,,CD:D:250,invalid,,,,,[Cd+2],
,,,GYP:A:200,valid,Kd,=,498,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:B:200,valid,Kd,=,498,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:C:200,valid,Kd,=,498,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GYP:D:200,valid,Kd,=,498,uM,CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3GXZ,,,,,,,
,,,BMA MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(OC)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:C:1,valid,Kd,=,13,nM,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NHE:A:301,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,3GXY,,,,,,,
,,,MG:A:102,Part of Protein,,,,,[Mg+2],
,,,NHE:A:301,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,OPM MAN MAN:C:1,valid,,,,,O(CCCCC)C1C(O)C(OC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,OPM MAN MAN:D:1,valid,,,,,O(CCCCC)C1C(O)C(OC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,2AWX,,,,,,,
,,,HIS HIS:B:3,valid,,,,,,
,,2AWU,,,,,,,
,,,ALA HIS HIS:C:5,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1)Cc1nc[nH]c1,
,Family. Representative Entry is ,4YG6,,,,,,,
,,,PO4:C:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1003,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC GAL NAG GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,NAG GAL:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6WK9,,,,,,,
,,,DMU:F:201,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:B:201,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:C:103,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,DMU:G:501,invalid,,,,,CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,U4G:C:104,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:C:101,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:E:201,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:F:202,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:G:503,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:F:203,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:C:102,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:B:203,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:B:202,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:A:201,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,,,U4G:G:502,valid,,,,,[H]/N=C(N)/NCCCCCCCC,
,Family. Representative Entry is ,6IS0,,,,,,,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:705,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,B3P:A:707,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,M7G:A:702,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,M7G A2M G  :C:1,valid,,,,,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(O)C(O)C(n3c4N=C(N)NC(=O)c4nc3)O2)[O-])C(OC)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)(OCC1C(O)C(O)C(N2C=3N=C(N)NC(=O)C=3N(C)C2)O1)[O-])[O-],
,,6IRY,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6IRZ,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,M7G:A:705,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,,SAH:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5EHS,,,,,,,
,,,5OY:B:302,valid,,,,,C(C[C@@H](C(=O)O)N)CP(=O)(O)O,
,,,5OY:A:302,valid,,,,,C(C[C@@H](C(=O)O)N)CP(=O)(O)O,
,,,2JJ:B:301,valid,,,,,C(C[C@H](C(=O)O)N)CP(=O)(O)O,
,,,2JJ:A:301,valid,,,,,C(C[C@H](C(=O)O)N)CP(=O)(O)O,
,,5EHM,,,,,,,
,,,OEM:A:301,valid,,,,,CN[C@H](CC(=O)O)C(=O)O,
,,,OEM:B:301,valid,,,,,CN[C@H](CC(=O)O)C(=O)O,
,,5DTB,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GLU:B:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:301,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,NA:B:302,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4YFY,,,,,,,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,0FX:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,1YJ:A:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,1YJ:B:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2)C(=O)NC(=N3)N,
,,,CL:A:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3BRE,,,,,,,
,,,C2E:A:360,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:361,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:360,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:361,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,MG:A:359,Part of Protein,,,,,[Mg+2],
,,,MG:B:359,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6R1D,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,JP5:A:202,valid,Ki,=,4,uM,c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O,
,,,JP5:B:202,valid,Ki,=,4,uM,c1ccc(cc1)COC(=O)N[C@H]2CC(=O)NC2=O,
,,4V2Z,,,,,,,
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,,Y70:A:151,valid,,,,,c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,Y70:B:151,valid,,,,,c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,Y70:C:151,valid,,,,,c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,6R11,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,JOB:A:202,valid,Ki,=,12,uM,c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O,
,,,JOB:B:202,valid,Ki,=,12,uM,c1cc2c(cc1N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5AMJ,,,,,,,
,,,PO4:B:1126,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1127,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1128,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1127,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,,EF2:B:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:A:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,6R0V,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JO2:B:202,valid,,,,,c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O,
,,,JO2:A:202,valid,,,,,c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O,
,,,JO2:C:202,valid,,,,,c1cc(c(cc1[N+](=O)[O-])C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O,
,,,CL:B:204,invalid,,,,,[Cl-],
,,6R19,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,UNK UNK UNK UNK UNK UNK:F:1,invalid,,,,,,
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JON:B:202,valid,,,,,C1C[C@H](NC1)COC(=O)N[C@H]2CC(=O)NC2=O,
,,6R0U,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,JO8:B:202,valid,,,,,c1cc(c(c(c1)N)C(=O)N[C@H]2CC(=O)NC2=O)C(=O)O,
,,,CL:A:204,invalid,,,,,[Cl-],
,,,CL:B:204,invalid,,,,,[Cl-],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JO5:C:202,valid,,,,,c1cc2c(c(c1)N)C(=O)N(C2=O)[C@H]3CC(=O)NC3=O,
,,6R0Q,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:D:201,Part of Protein,,,,,[Zn+2],
,,,UNK UNK UNK UNK:H:1,invalid,,,,,,
,,,UNK UNK UNK:F:1,invalid,,,,,,
,,,UNK UNK UNK:G:1,invalid,,,,,,
,,,UNK UNK UNK:E:1,invalid,,,,,,
,,,JNW:D:202,valid,,,,,c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O,
,,,JNW:C:202,valid,,,,,c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O,
,,,JNW:A:202,valid,,,,,c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O,
,,,JNW:B:202,valid,,,,,c1ccc(c(c1)C(=O)N[C@H]2CCC(=O)NC2=O)C(=O)O,
,,6R0S,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JOE:B:202,valid,,,,,c1cc(c(c(c1)[N+](=O)[O-])C(=O)O)C(=O)N[C@H]2CC(=O)NC2=O,
,,,UNK UNK UNK:F:13,invalid,,,,,,
,,,JOH:C:202,valid,,,,,c1cc2c(c(c1)[N+](=O)[O-])C(=O)N(C2=O)[C@H]3CC(=O)NC3=O,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6R12,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JOT:B:202,valid,,,,,c1ccc(cc1)CC(=O)N[C@H]2CC(=O)NC2=O,
,,,UNK UNK UNK UNK UNK:F:1,invalid,,,,,,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6R1C,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,PO4:A:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:205,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EF2:A:203,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,CL:B:203,invalid,,,,,[Cl-],
,,,ASP:A:201,invalid,,,,,C([C@@H](C(=O)O)N)C(=O)O,
,,,JOW:B:202,valid,,,,,c1cc(ccc1CNC(=O)CCC(=O)O)COC(=O)N[C@H]2CC(=O)NC2=O,
,,6R1X,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,JPQ:B:202,valid,,,,,CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C,
,,,JPQ:A:202,valid,,,,,CC(=CC(=O)N[C@H]1CC(=O)NC1=O)C,
,,6R1K,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,JPB:B:203,valid,Ki,=,9,uM,c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl,
,,,JPB:B:202,valid,Ki,=,9,uM,c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl,
,,,JPB:C:202,valid,Ki,=,9,uM,c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl,
,,,JPB:A:202,valid,Ki,=,9,uM,c1c(cc(c(c1Cl)C(=O)N[C@H]2CC(=O)NC2=O)Cl)Cl,
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4V2Y,,,,,,,
,,,EF2:A:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,5AMI,,,,,,,
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,EF2:A:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,6R1A,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,PO4:B:204,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,JP8:C:202,valid,,,,,C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O,
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,4V30,,,,,,,
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,,LVY:A:151,valid,,,,,c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O,
,,,LVY:B:151,valid,,,,,c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O,
,,,LVY:C:151,valid,,,,,c1cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O,
,,6R18,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,PO4:D:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JOQ:B:202,valid,,,,,c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,UNK UNK UNK:D:1,invalid,,,,,,
,,4V32,,,,,,,
,,,EF2:A:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:C:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,EF2:B:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,6R13,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JOK:B:202,valid,,,,,c1ccc(cc1)CCC(=O)N[C@H]2CC(=O)NC2=O,
,,,CL:B:204,invalid,,,,,[Cl-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6R1W,,,,,,,
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:C:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,PO4:B:202,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:203,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EF2:A:202,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,,JPW:B:204,valid,,,,,C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N,
,,,JPW:C:202,valid,,,,,C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N,
,,5AMH,,,,,,,
,,,CL:A:1130,invalid,,,,,[Cl-],
,,,CL:A:1127,invalid,,,,,[Cl-],
,,,CL:A:1132,invalid,,,,,[Cl-],
,,,CL:A:1128,invalid,,,,,[Cl-],
,,,CL:A:1133,invalid,,,,,[Cl-],
,,,CL:A:1129,invalid,,,,,[Cl-],
,,,CL:A:1131,invalid,,,,,[Cl-],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,NI:A:1134,Part of Protein,,,,,[Ni+2],
,,,CA:A:1126,Part of Protein,,,,,[Ca+2],
,,,EF2:A:151,valid,,,,,c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,,4V31,,,,,,,
,,,ZN:C:150,Part of Protein,,,,,[Zn+2],
,,,ZN:A:150,Part of Protein,,,,,[Zn+2],
,,,ZN:B:150,Part of Protein,,,,,[Zn+2],
,,,DUR:C:151,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:151,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:A:151,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,FLC:B:1124,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3MX2,,,,,,,
,,,TTP:A:800,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:800,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:C:800,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,ZN:A:570,Part of Protein,,,,,[Zn+2],
,,,ZN:B:570,Part of Protein,,,,,[Zn+2],
,,,ZN:C:570,Part of Protein,,,,,[Zn+2],
,,3MX5,,,,,,,
,,,UTP:A:993,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:993,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:C:993,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:570,Part of Protein,,,,,[Zn+2],
,,,ZN:B:570,Part of Protein,,,,,[Zn+2],
,,,ZN:C:570,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1O51,,,,,,,
,,,ADP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ASY,,,,,,,
,,,GOL:A:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:701,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:713,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:716,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:709,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:714,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:711,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:711,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:712,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:710,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:712,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:715,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SO4:B:705,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:710,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:707,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:709,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:706,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:708,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:B:704,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:706,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6UC1,,,,,,,
,,,GLY:D:905,valid,,,,,C(C(=O)O)N,
,,,GLY:A:905,valid,,,,,C(C(=O)O)N,
,,,GLY:A:904,valid,,,,,C(C(=O)O)N,
,,,GLY:D:904,valid,,,,,C(C(=O)O)N,
,,,SO4:B:905,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:D:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:906,Part of Protein,,,,,[Mg+2],
,,,PGE:B:907,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,3IHG,,,,,,,
,,,FAD:A:536,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:536,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:536,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:A:538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:542,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:543,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:544,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:545,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:546,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:542,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:540,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:541,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:542,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,VAK:A:537,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O,
,,,VAK:B:537,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O,
,,,VAK:C:537,valid,,,,,CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O)O,
,Family. Representative Entry is ,5HK9,,,,,,,
,,,64O:D:401,valid,ic50,=,0.29,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl,
,,,64O:B:401,valid,ic50,=,0.29,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl,
,,,64O:A:401,valid,ic50,=,0.29,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)NC(=O)N)O)Cl,
,,5TNP,,,,,,,
,,,FEH:C:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:A:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:B:402,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:C:402,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:A:402,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:B:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:D:401,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,,FEH:D:402,valid,,,,,c1ccc(cc1)[C@H](CO)O,
,,5HKA,,,,,,,
,,,64N:A:401,valid,ic50,=,0.35,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl,
,,,64N:B:401,valid,ic50,=,0.35,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl,
,,,64N:D:401,valid,ic50,=,0.35,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl,
,,,64N:C:401,valid,ic50,=,0.35,uM,CCC(=O)Nc1cc(c(c(c1)Cl)Oc2ccc(c(c2)c3ccc(cc3)C(=O)N)O)Cl,
,,4YX9,,,,,,,
,,,4HY:C:401,valid,Ki,=,4.5,uM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:D:401,valid,Ki,=,4.5,uM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:A:401,valid,Ki,=,4.5,uM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,,4HY:B:401,valid,Ki,=,4.5,uM,c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)O)I)I)O,
,,5HKB,,,,,,,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,64L:D:401,valid,ic50,=,2.6,uM,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br,
,,,64L:B:401,valid,ic50,=,2.6,uM,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br,
,,,64L:C:401,valid,ic50,=,2.6,uM,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br,
,,,64L:A:401,valid,ic50,=,2.6,uM,CC(C)c1cc(ccc1O)Oc2c(cc(cc2Br)NC(=O)CC(=O)O)Br,
,,5TNS,,,,,,,
,,,7EX:D:401,valid,,,,,C1CC[C@H]2[C@@H](C1)O2,
,Family. Representative Entry is ,6T6Y,,,,,,,
,,,MQH:A:301,valid,Kd,=,232,nM,C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)C(C)C,
,,6T6X,,,,,,,
,,,MQW:A:301,valid,,,,,CC(C)[C@H]1C(=O)N[C@H](/C(=N/CC(=O)N2CCC[C@H]2C(=O)N1)/N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(=O)O)C4=N[C@@H](CS4)C(=O)O)C(C)C,
,,6T70,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:304,Part of Protein,,,,,[Zn+2],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,MQZ:A:306,valid,Kd,=,459,nM,C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCS(=O)C,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6T6Z,,,,,,,
,,,MRB:A:301,valid,Kd,=,3.2,uM,C[C@@H]1CCN2[C@@H]1C(=O)N[C@H](C(=O)N[C@H](/C(=N[C@H](C(=O)N[C@@H]([C@@H](C)c3ccccc3)C(=O)N[C@H](CC(=O)OC)c4nccs4)C(C)(C)C)/NCC2=O)C(C)(C)C)CCSC,
,Family. Representative Entry is ,4ZQX,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,4S1K,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,,4S1L,,,,,,,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:302,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,3P9Y,,,,,,,
,,,IMD:A:196,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:197,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:196,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:196,invalid,,,,,c1c[nH+]c[nH]1,
,,,N7P THR SEP PRO SER TYR SET:E:3,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CO)Cc2ccc(O)cc2)CO)CCC1)([O-])[O-],
,,,N7P THR SEP PRO SER TYR SET:F:3,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CO)Cc2ccc(O)cc2)CO)CCC1)([O-])[O-],
,,,N7P THR SEP PRO SER TYR SET:G:3,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CO)Cc2ccc(O)cc2)CO)CCC1)([O-])[O-],
,,,N7P THR SEP PRO SER TYR SET:H:3,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)C(O)C)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CO)Cc2ccc(O)cc2)CO)CCC1)([O-])[O-],
,,,PG4:A:198,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,5YW0,,,,,,,
,,,PG4:A:401,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:403,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,,,ACT:A:410,invalid,,,,,CC(=O)[O-],
,,,ACT:A:412,invalid,,,,,CC(=O)[O-],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:411,invalid,,,,,CC(=O)[O-],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,FE:A:406,Part of Protein,,,,,[Fe+3],
,,,SIN:A:408,valid,,,,,C(CC(=O)O)C(=O)O,
,,5YVZ,,,,,,,
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:406,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:404,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:407,invalid,,,,,C(COCCOCCOCCO)O,
,,,AKG:A:402,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,ACT:A:409,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5A2Z,,,,,,,
,,,MG:B:1529,Part of Protein,,,,,[Mg+2],
,,,MG:A:1529,Part of Protein,,,,,[Mg+2],
,,,GTP:B:1528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1528,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,5A2W,,,,,,,
,,,MG:B:1529,Part of Protein,,,,,[Mg+2],
,,,MG:A:1530,Part of Protein,,,,,[Mg+2],
,,,AGS:A:1528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:A:1529,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:1528,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,PEG:B:1530,invalid,,,,,C(COCCO)O,
,,,PEG:A:1531,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5VHC,,,,,,,
,,,BEF ADP:D:1102,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,MG:D:1101,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4UYE,,,,,,,
,,,9F9:A:1739,valid,Kd,=,9.54,nM,CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC,
,,,9F9:B:1738,valid,Kd,=,9.54,nM,CN1c2cc(c(cc2N(C1=O)C)N3CCCCC3)NC(=O)c4ccccc4OC,
,,,EDO:A:1738,invalid,,,,,C(CO)O,
,,5E3G,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5JQ:A:801,valid,,,,,C12=C(NC(=O)N1)NC(=S)NC2=O,
,,5T4U,,,,,,,
,,,12Q:A:802,valid,ic50,=,4800,nM,CN1c2ccccc2C=CC1=O,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5EWH,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5SG:A:801,valid,Kd,=,170,uM,c1cc2cnccc2c(c1)O,
,,5C85,,,,,,,
,,,4YO:A:802,valid,Kd,=,105,uM,c1cc2c(cc1Br)NCC(=O)N2,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5E3D,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5JL:A:801,valid,Kd,=,95,uM,C12=C(NC(=S)N1)NC(=S)NC2=O,
,,5C87,,,,,,,
,,,4YS:A:802,valid,,,,,c1ccc2c(c1)C=CNC2=O,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5O4T,,,,,,,
,,,9KT:A:801,valid,,,,,CN1c2ccccc2N(C(=O)C1=O)C,
,,5OV8,,,,,,,
,,,AXN:B:801,valid,Kd,=,18,uM,CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C,
,,,AXN:A:801,valid,Kd,=,18,uM,CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCCC4)N(C(=O)C(=O)N3C)C,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,5O4S,,,,,,,
,,,9KW:B:801,valid,ic50,=,3.4,uM,CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5,
,,,9KW:A:801,valid,ic50,=,3.4,uM,CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,5MWH,,,,,,,
,,,NO3:B:803,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,UWX:A:801,valid,Kd,=,1.8,uM,CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C,
,,,UWX:B:801,valid,Kd,=,1.8,uM,CC(C)Cc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2N4CCOCC4)N(C(=O)C(=O)N3C)C,
,,5DY7,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5GT:A:801,valid,,,,,c1cc2c(cc1C(F)(F)F)NC(=O)CN2,
,,5T4V,,,,,,,
,,,FMT:A:803,invalid,,,,,C(=O)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,N48:A:801,valid,ic50,=,60,nM,CC1=CC(=O)N(c2c1cc(c(c2)OC)NS(=O)(=O)c3ccc(cc3)C#N)C,
,,5DYC,,,,,,,
,,,5GU:A:802,valid,,,,,c1cc2c(cc1Br)NC(=O)CN2,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5O55,,,,,,,
,,,9L5:A:802,valid,,,,,CCN1c2ccc(cc2N=C(C1=O)C)C(=O)N[C@@H](C)c3cnn(c3C)C,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5EQ1,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,BEA:A:801,valid,Kd,=,21,uM,Cc1cccc2c1n3cn[nH+]c3s2,
,,5G4S,,,,,,,
,,,8VI:A:1739,valid,ic50,=,1,uM,CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC,
,,,EDO:A:1800,invalid,,,,,C(CO)O,
,,5EWC,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5SJ:A:801,valid,,,,,CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](N2)C,
,,5EPR,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5QY:A:801,valid,Kd,=,91,uM,C[C@H]1C(=O)Nc2ccccc2N1,
,,5EVA,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5S9:A:801,valid,,,,,Cn1c(ccn1)C(=O)Nc2ccc(cc2F)F,
,,5ETD,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5RN:A:801,valid,,,,,CC(=O)c1c[nH]c2c1cccc2,
,,5DYA,,,,,,,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,,5GV:A:802,valid,,,,,CC[C@@H]1C(=O)Nc2cc(ccc2N1)C(=O)O,
,,5EV9,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5SB:A:801,valid,,,,,CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3,
,,5MYG,,,,,,,
,,,LS8:A:801,valid,Kd,=,31,nM,CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N,
,,,LS8:B:801,valid,Kd,=,31,nM,CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N,
,,,LS8:C:801,valid,Kd,=,31,nM,CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N,
,,,LS8:D:801,valid,Kd,=,31,nM,CC1=Cc2cc(ccc2N(C1=O)C)NS(=O)(=O)c3ccc(cc3OC)C#N,
,,5MWZ,,,,,,,
,,,KGU:A:801,valid,Kd,=,7.1,uM,CCN1c2cc(c(cc2N(C(=O)C1=O)CC)N3CCCCC3)NC(=O)CN4CCN(CC4)C,
,,5G4R,,,,,,,
,,,LF1:D:1739,valid,ic50,=,7.943,nM,C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C,
,,,LF1:A:1739,valid,ic50,=,7.943,nM,C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C,
,,,LF1:B:1739,valid,ic50,=,7.943,nM,C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C,
,,,LF1:C:1739,valid,ic50,=,7.943,nM,C[C@@H]1CNCCN1c2cc3c(cc2NC(=O)c4ccccc4OC)N(C(=O)N3C)C,
,,5OWA,,,,,,,
,,,B0H:B:801,valid,Kd,=,3.5,uM,Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C,
,,,B0H:A:801,valid,Kd,=,3.5,uM,Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C,
,,,B0H:C:801,valid,Kd,=,3.5,uM,Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C,
,,5EM3,,,,,,,
,,,NO3:A:804,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:803,invalid,,,,,[N+](=O)([O-])[O-],
,,,5Q0:A:802,valid,,,,,c1cc2c(cccn2)c(c1)O,
,,,5Q0:A:801,valid,,,,,c1cc2c(cccn2)c(c1)O,
,,5ETB,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5RO:A:801,valid,Kd,=,29,uM,Cc1cccc2c1[nH]cc2C(=O)C,
,,5O5F,,,,,,,
,,,NO3:A:803,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,9LT:A:801,valid,,,,,CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N[C@H](c3cccc(c3)F)c4nccn4C,
,,5O5A,,,,,,,
,,,9LN:A:802,valid,,,,,CCN1c2ccc(cc2NC(=O)C1=O)C(=O)N(C)Cc3cnn(c3)c4ccccc4,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,5O5H,,,,,,,
,,,9LK:A:802,valid,,,,,Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl,
,,,9LK:A:801,valid,,,,,Cc1c(oc(n1)C)C(=O)Nc2ccc(nc2)Oc3ccc(cc3)Cl,
,,,NO3:A:803,invalid,,,,,[N+](=O)([O-])[O-],
,,5C7N,,,,,,,
,,,BMF:A:801,valid,Kd,=,0.27,uM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,5EPS,,,,,,,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,5QX:A:801,valid,Kd,=,38,uM,CN1c2ccccc2NCC1=O,
,,5MWG,,,,,,,
,,,WGX:A:801,valid,ic50,=,1.7,uM,CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5,
,,,WGX:B:801,valid,ic50,=,1.7,uM,CN1c2cc(c(cc2N(C(=O)C1=O)C)N3CCCCC3)NS(=O)(=O)c4ccc5c(c4)CCCC5,
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,5D7X,,,,,,,
,,,XZ8:A:802,valid,Kd,=,15,uM,CC1=C(C(=O)NN1)c2cn(c3c2cccc3)C(=O)C,
,,,NO3:A:801,invalid,,,,,[N+](=O)([O-])[O-],
,,6EKQ,,,,,,,
,,,NO3:A:803,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:802,invalid,,,,,[N+](=O)([O-])[O-],
,,,B0H:B:801,valid,Kd,=,10.9,uM,Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C,
,,,B0H:A:801,valid,Kd,=,10.9,uM,Cc1c(oc(n1)C)C(=O)Nc2nc(cs2)CN3C[C@@H](C[C@@H](C3)C)C,
,Family. Representative Entry is ,3E5H,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:200,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4X1Z,,,,,,,
,,,NA:B:607,Part of Protein,,,,,[Na+],
,,,NA:B:601,invalid,,,,,[Na+],
,,,NA:B:605,invalid,,,,,[Na+],
,,,NA:A:602,invalid,,,,,[Na+],
,,,NA:B:604,invalid,,,,,[Na+],
,,,NA:B:603,Part of Protein,,,,,[Na+],
,,,NA:A:606,invalid,,,,,[Na+],
,,,NA:A:603,invalid,,,,,[Na+],
,,,NA:B:606,invalid,,,,,[Na+],
,,,NA:A:601,invalid,,,,,[Na+],
,,,NA:A:605,Part of Protein,,,,,[Na+],
,,,NA:A:607,Part of Protein,,,,,[Na+],
,,,NA:A:604,invalid,,,,,[Na+],
,,,NA:B:602,invalid,,,,,[Na+],
,,,NDG GAL FUC:C:1,valid,,,,,,
,,,NDG GAL FUC:D:1,valid,,,,,,
,,4X1X,,,,,,,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,EDO:B:601,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,NDG GAL FUC:C:1,valid,,,,,,
,Family. Representative Entry is ,5CB7,,,,,,,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,A2G GAL FUC:B:304,valid,,,,,,
,,,CL:B:309,invalid,,,,,[Cl-],
,,,CL:B:310,invalid,,,,,[Cl-],
,,,GLA FUC A2G:D:1,valid,,,,,,
,,,GLA FUC A2G:C:1,valid,,,,,,
,Family. Representative Entry is ,5D9G,,,,,,,
,,,GLU ASN LEU TYR PHE GLN:D:9,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N,
,,,GLU ASN LEU TYR PHE GLN:C:11,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCC(=O)[O-])CC(=O)N)CC(C)C)Cc1ccc(O)cc1)Cc1ccccc1)CCC(=O)N,
,,,NI:A:303,invalid,,,,,[Ni+2],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:B:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5IQN,,,,,,,
,,,SER ARG ILE ARG ILE ARG GLY TYR VAL ARG:F:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)C(CC)C)CCCNC(=[NH2+])N)C(CC)C)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)CCCNC(=[NH2+])N,
,,,SER ARG ILE ARG ILE ARG GLY TYR VAL ARG:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CCCNC(=[NH2+])N)C(CC)C)CCCNC(=[NH2+])N)C(CC)C)CCCNC(=[NH2+])N)Cc1ccc(O)cc1)C(C)C)CCCNC(=[NH2+])N,
,,,CO:A:201,Part of Protein,,,,,[Co+2],
,,,CO:G:201,Part of Protein,,,,,[Co+2],
,,,EDO:G:202,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5AZ1,,,,,,,
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,NDP:A:409,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2Q2A,,,,,,,
,,,ARG:A:904,valid,Kd,=,0.039,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:B:903,valid,Kd,=,0.039,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:902,valid,Kd,=,0.039,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:905,valid,Kd,=,0.039,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,SO4:A:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2PVU,,,,,,,
,,,LYS:A:301,valid,Kd,=,0.49,uM,C(CC[NH3+])C[C@@H](C(=O)O)N,
,,,SO4:A:252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:253,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:254,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Q2C,,,,,,,
,,,GOL:C:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,HIS:A:504,valid,Kd,=,0.42,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:B:506,valid,Kd,=,0.42,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:C:502,valid,Kd,=,0.42,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:D:505,valid,Kd,=,0.42,uM,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2ASF,,,,,,,
,,,CIT:A:1001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:2001,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,NA:A:1157,invalid,,,,,[Na+],
,,5JAB,,,,,,,
,,,6J4:A:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,6J4:C:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,6J4:B:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,6J4:D:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4DN8,,,,,,,
,,,BMA:A:403,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,3IS2,,,,,,,
,,,FAD:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6BT4,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KPM:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C(=O)O)O)NC(=O)C)O,
,Family. Representative Entry is ,3WVR,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:D:506,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:504,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:D:507,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6OQQ,,,,,,,
,,,POP:A:902,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:903,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:C:902,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,EDO:C:909,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:911,invalid,,,,,C(CO)O,
,,,EDO:C:908,invalid,,,,,C(CO)O,
,,,EDO:A:913,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:915,invalid,,,,,C(CO)O,
,,,EDO:C:907,invalid,,,,,C(CO)O,
,,,EDO:A:916,invalid,,,,,C(CO)O,
,,,EDO:A:914,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,EDO:C:910,invalid,,,,,C(CO)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:C:906,Part of Protein,,,,,[Mg+2],
,,,MG:A:906,invalid,,,,,[Mg+2],
,,,MG:C:904,Part of Protein,,,,,[Mg+2],
,,,MG:A:904,invalid,,,,,[Mg+2],
,,,MG:A:905,Part of Protein,,,,,[Mg+2],
,,,MG:C:905,invalid,,,,,[Mg+2],
,,,AMP:C:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CA:B:201,Part of Protein,,,,,[Ca+2],
,,,CA:D:202,Part of Protein,,,,,[Ca+2],
,,,CA:B:202,Part of Protein,,,,,[Ca+2],
,,,CA:D:201,Part of Protein,,,,,[Ca+2],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,NA:B:203,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3TD3,,,,,,,
,,,GLY:D:401,valid,Kd,=,0.59,uM,C(C(=O)O)N,
,,,GLY:E:501,valid,Kd,=,0.59,uM,C(C(=O)O)N,
,,,GLY:F:601,valid,Kd,=,0.59,uM,C(C(=O)O)N,
,,,GLY:G:701,valid,Kd,=,0.59,uM,C(C(=O)O)N,
,,,GLY:H:801,valid,Kd,=,0.59,uM,C(C(=O)O)N,
,,3TD4,,,,,,,
,,,API:A:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:B:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:C:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:D:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:E:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:F:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:G:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,,API:H:401,valid,Kd,=,2.2,uM,C(C[C@H](C(=O)O)N)C[C@@H](C(=O)O)N,
,,3TD5,,,,,,,
,,,ALA FGA API DAL DAL:I:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:J:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:K:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:L:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:M:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:N:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:O:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,ALA FGA API DAL DAL:P:401,valid,,,,,O=C([O-])C([NH3+])CC=CC(NC(=O)CCC(NC(=O)C([NH3+])C)C(=O)[O-])C(=O)NC(C(=O)NC(C(=O)[O-])C)C,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,CL:C:3,invalid,,,,,[Cl-],
,,,CL:E:4,invalid,,,,,[Cl-],
,,,CL:F:5,invalid,,,,,[Cl-],
,,,CL:G:6,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6Q2P,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,B3P:B:401,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:403,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CTP:B:404,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:403,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,5VSM,,,,,,,
,,,5AD:A:402,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:402,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MET:A:403,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:403,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,5VSL,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6Q2Q,,,,,,,
,,,SAH:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,UTP:A:404,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:403,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,B3P:A:406,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,4MA6,,,,,,,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,28E:A:202,valid,,,,,c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O,
,Family. Representative Entry is ,5AAN,,,,,,,
,,,CA:A:1186,Part of Protein,,,,,[Ca+2],
,,,CA:A:1188,Part of Protein,,,,,[Ca+2],
,,,CA:A:1187,Part of Protein,,,,,[Ca+2],
,,,XOC:A:1189,valid,Kd,=,71,uM,c1ccc2c(c1)N(c3ccccc3S2)NC(=O)CN4CCCCC4,
,,,PG0:A:1190,invalid,,,,,COCCOCCO,
,,6EPA,,,,,,,
,,,BNQ:A:204,valid,,,,,c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc4,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,NA:A:206,Part of Protein,,,,,[Na+],
,,,PG0:A:205,invalid,,,,,COCCOCCO,
,Family. Representative Entry is ,4XJ6,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,GH3:A:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,GH3:A:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5DTF,,,,,,,
,,,GLY 5CT GLY ALA:P:3,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+],
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:L:301,invalid,,,,,C(CO)O,
,,,5CT:B:301,valid,,,,,C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2ACO,,,,,,,
,,,VCA:B:501,valid,Kd,=,2.5,uM,CCCCCCC=CCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,2YJ0,,,,,,,
,,,420:A:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,420:B:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,420:C:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,420:D:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,420:E:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,420:F:100,valid,,,,,CN(C)c1cccc2c1cccc2S(=O)(=O)NCCNC(=O)CI,
,,,CL:A:1070,invalid,,,,,[Cl-],
,,,CL:B:1070,invalid,,,,,[Cl-],
,,,CL:B:1071,invalid,,,,,[Cl-],
,,,COA:A:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:200,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FMN:A:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:300,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:D:1070,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1070,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2YIZ,,,,,,,
,,,CL:B:1073,invalid,,,,,[Cl-],
,,,CL:C:1072,invalid,,,,,[Cl-],
,,,COA:A:1069,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1069,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1069,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1069,invalid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FMN:A:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1071,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1072,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1073,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1071,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1072,invalid,,,,,C(C(CO)O)O,
,,,TRS:C:1071,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,4N7C,,,,,,,
,,,AEF:A:202,valid,Ka,=,22200000,M^-1,c1cc(ccc1CCN)O,
,,,CIT:A:201,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4M7F,,,,,,,
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:501,Part of Protein,,,,,[Ca+2],
,,,BM3:A:503,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:B:502,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3GKJ,,,,,,,
,,,HC3:A:253,valid,,,,,C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NAG:A:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,3GKI,,,,,,,
,,,CLR:A:253,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,NAG:A:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5MYO,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,PCA PHE ARG HIS ASP SER GLY TYR GLU VAL:E:1,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]C(=O)CC1)Cc1ccccc1)CCCNC(=[NH2+])N)Cc1nc[nH]c1)CC(=O)[O-],
,Family. Representative Entry is ,6HH2,,,,,,,
,,,GDP:A:201,valid,Kd,=,2.7,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5T7N,,,,,,,
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,5LSV,,,,,,,
,,,ZN:A:404,Part of Protein,,,,,[Zn+2],
,,,ZN:A:406,Part of Protein,,,,,[Zn+2],
,,,ZN:A:409,Part of Protein,,,,,[Zn+2],
,,,ZN:A:410,Part of Protein,,,,,[Zn+2],
,,,ZN:A:411,invalid,,,,,[Zn+2],
,,,ZN:A:407,Part of Protein,,,,,[Zn+2],
,,,ZN:A:408,Part of Protein,,,,,[Zn+2],
,,,ZN:A:405,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2CFU,,,,,,,
,,,1DB:A:1655,valid,,,,,CCCCCCCCCCS(=O)(=O)O,
,,,IPA:A:1664,invalid,,,,,CC(C)O,
,,,PEG:A:1656,invalid,,,,,C(COCCO)O,
,,,PEG:A:1657,invalid,,,,,C(COCCO)O,
,,,PEG:A:1658,invalid,,,,,C(COCCO)O,
,,,PEG:A:1659,invalid,,,,,C(COCCO)O,
,,,PEG:A:1660,invalid,,,,,C(COCCO)O,
,,,PEG:A:1661,invalid,,,,,C(COCCO)O,
,,,PEG:A:1662,invalid,,,,,C(COCCO)O,
,,,PEG:A:1663,invalid,,,,,C(COCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,,2CFZ,,,,,,,
,,,1DO:A:1655,valid,,,,,CCCCCCCCCCCCO,
,,,PEG:A:1656,invalid,,,,,C(COCCO)O,
,,,PEG:A:1657,invalid,,,,,C(COCCO)O,
,,,PEG:A:1658,invalid,,,,,C(COCCO)O,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1002,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4P87,,,,,,,
,,,4NP:A:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,,,4NP:B:401,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)O,
,Family. Representative Entry is ,6I18,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,H0N:A:507,valid,Kd,=,85,nM,c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I12,,,,,,,
,,,H08:A:502,valid,Kd,=,2.7,uM,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(cc4)Cl,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I13,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,H0Q:A:505,valid,Kd,=,7.6,uM,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4cccc(c4)Cl,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I14,,,,,,,
,,,GZN:A:502,valid,Kd,=,1.5,uM,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccc(c(c4)Cl)Cl,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I10,,,,,,,
,,,GZK:A:501,valid,Kd,=,29.5,uM,c1cc(c(cc1CN2C=Nc3c(cnn3[C@@H]4CCS(=O)(=O)C4)C2=O)Cl)Cl,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,6I15,,,,,,,
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,GZT:A:504,valid,,,,,CNC(=O)C1=CC=CN(C1=O)Cc2ccc3c(c2)OC(O3)(F)F,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,6I16,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,H0B:A:502,valid,,,,,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2nccc3)Cc4ccc(c(c4)Cl)Cl,
,,6I11,,,,,,,
,,,H0H:A:502,valid,Kd,=,29.3,uM,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cccc3)Cc4ccccc4,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I17,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,GZW:A:503,valid,Kd,=,0.25,uM,Cn1cc(cn1)NC(=O)C2=CN(C(=O)c3c2cc(nc3)C4CCNCC4)Cc5ccc(c(c5)Cl)Cl,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,6I0Z,,,,,,,
,,,GZQ:B:501,valid,Kd,=,92,uM,CC(=O)N(C)c1ccc(cc1Cl)Cl,
,,,GZQ:A:501,valid,Kd,=,92,uM,CC(=O)N(C)c1ccc(cc1Cl)Cl,
,Family. Representative Entry is ,4RYL,,,,,,,
,,,3ZG:A:601,valid,Kd,=,53,nM,c1cc2cnccc2cc1NC(=O)NCC(=O)N3CCCC3,
,,,UNX:A:603,invalid,,,,,*,
,,,UNX:A:602,invalid,,,,,*,
,Family. Representative Entry is ,4BJX,,,,,,,
,,,73B:A:1169,valid,ic50,=,22,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,4UYD,,,,,,,
,,,EDO:A:1170,invalid,,,,,C(CO)O,
,,,DMS:A:1169,invalid,,,,,CS(=O)C,
,,,V1T:A:1171,valid,ic50,=,79.4,uM,CN1c2ccc(cc2N(C1=O)C)C(=O)N,
,Family. Representative Entry is ,3FRK,,,,,,,
,,,TQP:A:374,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,,,TQP:B:374,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=N[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O)O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=O)NC4=O)C)O)C)O)O,
,Family. Representative Entry is ,4CTA,,,,,,,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NA:A:406,invalid,,,,,[Na+],
,,,NA:B:405,Part of Protein,,,,,[Na+],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3AXY,,,,,,,
,,,LEU GLN ARG VAL LEU SEP ALA PRO PHE:E:189,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])Cc2ccccc2)CCC1)C)([O-])[O-],
,,,LEU GLN ARG VAL LEU SEP ALA PRO PHE:F:189,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])Cc2ccccc2)CCC1)C)([O-])[O-],
,,,LEU GLN ARG VAL LEU SEP ALA PRO PHE:K:189,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])Cc2ccccc2)CCC1)C)([O-])[O-],
,,,LEU GLN ARG VAL LEU SEP ALA PRO PHE:L:189,valid,,,,,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)C(C)C)CC(C)C)C(=O)NC(C(=O)N1C(C(=O)NC(C(=O)[O-])Cc2ccccc2)CCC1)C)([O-])[O-],
,Family. Representative Entry is ,6L1P,,,,,,,
,,,E3X:A:101,valid,Kd,=,0.31,mM,CN1CCC(=CC1)c2ccc(cc2)O,
,,,E3X:D:101,valid,Kd,=,0.31,mM,CN1CCC(=CC1)c2ccc(cc2)O,
,,,E3X:C:101,valid,Kd,=,0.31,mM,CN1CCC(=CC1)c2ccc(cc2)O,
,,,E3X:B:101,valid,Kd,=,0.31,mM,CN1CCC(=CC1)c2ccc(cc2)O,
,,,SO4:A:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:102,invalid,,,,,C(C(CO)O)O,
,,6L1F,,,,,,,
,,,ARG SER MLZ SER ASP GLY:A:140,valid,Kd,=,0.67,mM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC=O)CC(=O)[O-])CO)CCCC[NH2+]C)CO)C([NH3+])CCCNC(=[NH2+])N,
,,6L0X,,,,,,,
,,,CIT:B:103,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:102,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:101,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:101,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:B:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:104,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3BKR,,,,,,,
,,,PLM:A:300,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3BKS,,,,,,,
,,,PLM:A:400,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4BOL,,,,,,,
,,,J0J:B:1261,valid,,,,,C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N,
,,,J0J:A:1260,valid,,,,,C[C@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)N,
,,,ZN:B:1260,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1261,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2V0U,,,,,,,
,,,FMN:A:1547,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1548,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1549,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1550,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1551,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1552,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1553,invalid,,,,,C(C(CO)O)O,
,,2V1A,,,,,,,
,,,FMN:A:1547,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1548,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1549,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6WP9,,,,,,,
,,,XVR:H:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:D:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:F:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:E:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:B:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:G:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:A:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,,,XVR:C:301,valid,,,,,CC[C@](C)(C(=O)CCCC[C@H]1C=CC(=O)O1)O,
,Family. Representative Entry is ,6LAA,,,,,,,
,,,HEM:A:800,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,CO3:A:804,invalid,,,,,C(=O)([O-])[O-],
,,,IMD:A:803,invalid,,,,,c1c[nH+]c[nH]1,
,,,FES:A:801,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FMN:A:802,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6TFB,,,,,,,
,,,N6W:B:202,valid,Kd,=,17,uM,c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N,
,,,N6W:A:203,valid,Kd,=,17,uM,c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5YJ8,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8W9:A:701,valid,Kd,=,0.104,mM,CN1c2ccc(cc2N(C1=O)C)CN,
,Family. Representative Entry is ,4NTC,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3W68,,,,,,,
,,,VIV:C:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,VIV:B:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,VIV:D:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,VIV:A:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,4PT:A:302,valid,,,,,CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4PT:A:303,valid,,,,,CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4PT:B:303,valid,,,,,CCC[C@@H](O)O[C@H](COC(=O)CCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,PBU:B:302,valid,,,,,CCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC,
,,,PO4:D:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3FON,,,,,,,
,,,VAL ASN ASP ILE PHE GLU ALA ILE:E:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(=O)N)CC(=O)[O-])C(CC)C)Cc1ccccc1)CCC(=O)[O-])C)C(CC)C,
,,,VAL ASN ASP ILE PHE GLU ALA ILE:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(C)C)CC(=O)N)CC(=O)[O-])C(CC)C)Cc1ccccc1)CCC(=O)[O-])C)C(CC)C,
,,3FOM,,,,,,,
,,,CL:A:275,invalid,,,,,[Cl-],
,,,ILE GLN GLN SER ILE GLU ARG ILE:P:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(CC)C)CCC(=O)N)CCC(=O)N)CO)C(CC)C)CCC(=O)[O-])CCCNC(=[NH2+])N)C(CC)C,
,Family. Representative Entry is ,5MJI,,,,,,,
,,,7O6:A:301,valid,,,,,Cc1cc2c(cc1C=O)[n+](c3c(n2)C(=O)NC(=O)N3)C[C@H]([C@H]([C@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5C2N,,,,,,,
,,,NAG:L:102,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:O:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:102,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:L:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:J:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:M:102,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:I:101,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:102,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2BTO,,,,,,,
,,,GTP:A:1433,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1433,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5B2D,,,,,,,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:B:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLC GAL SIA:C:1,valid,Kd,=,56,uM,,
,,,GLC GAL SIA:D:1,valid,Kd,=,56,uM,,
,,6JJM,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:A:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL SIA NAG:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NAG:E:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,6JJN,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SO4:B:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAL NAG FUC GAL SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG FUC GAL SIA:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,5UQD,,,,,,,
,,,PG0:A:1703,invalid,,,,,COCCOCCO,
,,,PG0:A:1704,invalid,,,,,COCCOCCO,
,,,AKG:A:1701,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:A:1702,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,1WWZ,,,,,,,
,,,ACO:A:1001,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:1002,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4XUB,,,,,,,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,43D:A:2001,valid,ic50,=,1.07,uM,Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C,
,,4XUA,,,,,,,
,,,43C:A:2005,valid,ic50,=,26,uM,Cc1cn(nn1)CCn2cnc(c2c3ccc(cc3)C#N)c4ccccc4,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,5MGF,,,,,,,
,,,7MW:A:2001,valid,Kd,=,54,uM,CCC(=O)c1cc([nH]c1)C(=O)OC,
,,5E9I,,,,,,,
,,,F60:A:2001,valid,,,,,c1cc(cc2c1cc[nH]2)O,
,,6FGT,,,,,,,
,,,D9T:A:2001,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCC2(CCCCC2)N,
,,4NRB,,,,,,,
,,,2LX:A:2001,valid,ic50,=,38,uM,CNC(=O)c1ccccc1OC2CCOCC2,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,6FH6,,,,,,,
,,,D8Q:A:2001,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCCN,
,,5MGG,,,,,,,
,,,7MU:A:2001,valid,,,,,CNC(=O)c1cc(ccn1)Cl,
,,5ORB,,,,,,,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,JR6:A:2001,valid,,,,,Cn1c(c2c(n1)CCC2)NC(=O)CSc3ccc(cc3)OC,
,,4NRC,,,,,,,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,2LY:A:2001,valid,ic50,=,241,uM,CNC(=O)c1c2c(cs1)OCCO2,
,,,15P:A:2004,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,6FH7,,,,,,,
,,,EN2:A:2001,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCCCNC(=O)c2ccc(cc2)F,
,,5E9K,,,,,,,
,,,5KX:A:2001,valid,,,,,c1cnc([nH]1)Cl,
,,4NRA,,,,,,,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,,EDO:A:2005,invalid,,,,,C(CO)O,
,,,2LW:A:2006,valid,Kd,=,65,uM,CC(=O)N1CCc2c(c3cc(ccc3[nH]2)Cl)C1,
,,5MGE,,,,,,,
,,,7MX:A:2001,valid,Kd,=,87,uM,CCOC(=O)C1=CN(C(=O)C=C1Cl)C,
,,4NR9,,,,,,,
,,,ALY:A:2005,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)N,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2001,invalid,,,,,C(CO)O,
,,5E9L,,,,,,,
,,,6AI:A:2001,valid,,,,,c1cc2cn[nH]c2cc1N,
,,5OR9,,,,,,,
,,,JR5:A:2001,valid,ic50,=,88,uM,Cn1c(c2c(n1)CCC2)NC(=O)[C@@H]3CCCN3S(=O)(=O)c4ccc(cc4)F,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,5E74,,,,,,,
,,,5KH:A:2001,valid,Kd,=,39,uM,Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)c4cccc(c4)C(F)(F)F)O,
,,5E9M,,,,,,,
,,,BAE:A:2001,valid,,,,,CC(C)(C)C(=O)NC,
,,6FGU,,,,,,,
,,,D9Q:A:2001,valid,,,,,CN1C=C(C=CC1=O)C(=O)NCCN2CCCC2,
,,5DYX,,,,,,,
,,,ADE:A:2001,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5DYU,,,,,,,
,,,MZ0:A:2001,valid,,,,,c1c([nH]cn1)CO,
,,,MZ0:A:2002,valid,,,,,c1c([nH]cn1)CO,
,,5E73,,,,,,,
,,,UO1:A:2001,valid,Kd,=,23,uM,Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=O)C)C(=O)C)O,
,Family. Representative Entry is ,3A25,,,,,,,
,,,SAM:A:279,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3A26,,,,,,,
,,,MTA:A:279,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,PG4:A:280,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,6GG9,,,,,,,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3L9W,,,,,,,
,,,AMP:A:2401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:2401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,FMN:A:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GSH:B:1,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:B:1177,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2402,invalid,,,,,[Zn+2],
,,,ZN:B:2402,invalid,,,,,[Zn+2],
,,3EYW,,,,,,,
,,,FMN:A:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:2403,Part of Protein,,,,,[Mg+2],
,,,NAD:A:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:2401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ZN:A:2402,invalid,,,,,[Zn+2],
,,,ZN:B:2402,invalid,,,,,[Zn+2],
,,3L9X,,,,,,,
,,,ESG:B:1177,valid,,,,,CCN1C(=O)C[C@@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,
,,,FMN:A:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:2400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,L9X:B:1178,valid,,,,,CCN1C(=O)C[C@H](C1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N,
,,,SO4:A:1190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1180,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:2402,invalid,,,,,[Zn+2],
,,,ZN:B:2402,invalid,,,,,[Zn+2],
,Family. Representative Entry is ,4EXO,,,,,,,
,,,PYR:A:201,valid,,,,,CC(=O)C(=O)O,
,Family. Representative Entry is ,3CR4,,,,,,,
,,,CA:X:103,Part of Protein,,,,,[Ca+2],
,,,CA:X:104,Part of Protein,,,,,[Ca+2],
,,,PNT:X:101,valid,Kd,=,53,uM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,,PNT:X:102,valid,Kd,=,53,uM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,3GK2,,,,,,,
,,,27A:A:94,valid,Kd,=,2,mM,CN1CCN(CC1)c2ccccc2C/N=NC(=S)N,
,,,CA:A:92,Part of Protein,,,,,[Ca+2],
,,,CA:A:93,Part of Protein,,,,,[Ca+2],
,,,CAC:A:95,invalid,,,,,C[As](=O)(C)[O-],
,,5DKQ,,,,,,,
,,,CA:A:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:101,Part of Protein,,,,,[Ca+2],
,,,5D0:A:103,valid,,,,,c1cc(ccc1C2=NCCCN2)OCCCCCOc3ccc(cc3)C4=NCCCN4,
,,5DKN,,,,,,,
,,,B7I:A:103,valid,Kd,=,202.6,uM,c1cc(ccc1c2[nH]ccn2)OCCCCCCCOc3ccc(cc3)c4[nH]ccn4,
,,,CA:A:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:101,Part of Protein,,,,,[Ca+2],
,,3LK1,,,,,,,
,,,CA:A:90,Part of Protein,,,,,[Ca+2],
,,,CA:A:91,Part of Protein,,,,,[Ca+2],
,,,EMC:A:92,invalid,,,,,CC[Hg+],
,,,JKE:A:93,valid,Kd,=,55.2,uM,c1ccc(c(c1)C(=O)O)S,
,,3GK4,,,,,,,
,,,53A:X:94,valid,Kd,=,120,uM,CCOC(=O)C1=C2N=C(c3ccccc3N2NN1)S[C@H](C(=O)C)C(=O)OCC,
,,,CA:X:92,Part of Protein,,,,,[Ca+2],
,,,CA:X:93,Part of Protein,,,,,[Ca+2],
,,5DKR,,,,,,,
,,,CA:B:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:101,Part of Protein,,,,,[Ca+2],
,,,CA:B:101,Part of Protein,,,,,[Ca+2],
,,,CA:B:103,Part of Protein,,,,,[Ca+2],
,,,5CZ:A:103,valid,Kd,=,6,uM,[H]/N=C(c1ccc(cc1)Oc2ccc(cc2)c3cc4ccc(cc4[nH]3)/C(=N/[H])/N)/N,
,,3HCM,,,,,,,
,,,ACT:A:95,invalid,,,,,CC(=O)[O-],
,,,CA:A:92,Part of Protein,,,,,[Ca+2],
,,,CA:A:93,Part of Protein,,,,,[Ca+2],
,,,CA:B:92,Part of Protein,,,,,[Ca+2],
,,,CA:B:93,Part of Protein,,,,,[Ca+2],
,,,S45:A:94,valid,,,,,c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl,
,,,S45:B:94,valid,,,,,c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl,
,,3LK0,,,,,,,
,,,CA:A:90,Part of Protein,,,,,[Ca+2],
,,,CA:A:91,Part of Protein,,,,,[Ca+2],
,,,CA:B:90,Part of Protein,,,,,[Ca+2],
,,,CA:B:91,Part of Protein,,,,,[Ca+2],
,,,CA:C:90,Part of Protein,,,,,[Ca+2],
,,,CA:C:91,Part of Protein,,,,,[Ca+2],
,,,CA:D:90,Part of Protein,,,,,[Ca+2],
,,,CA:D:91,Part of Protein,,,,,[Ca+2],
,,,Z80:B:92,valid,Kd,=,696.9,uM,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,,,Z80:D:92,valid,Kd,=,696.9,uM,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,,3CR5,,,,,,,
,,,CA:X:92,Part of Protein,,,,,[Ca+2],
,,,CA:X:93,Part of Protein,,,,,[Ca+2],
,,,PNT:X:94,valid,Kd,=,64,uM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,,PNT:X:95,valid,Kd,=,64,uM,c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N,
,,,ZN:X:96,Part of Protein,,,,,[Zn+2],
,,3GK1,,,,,,,
,,,32A:A:94,valid,Kd,=,80,uM,CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC,
,,,CA:A:92,Part of Protein,,,,,[Ca+2],
,,,CA:A:93,Part of Protein,,,,,[Ca+2],
,,,CAC:A:95,invalid,,,,,C[As](=O)(C)[O-],
,Family. Representative Entry is ,3SJ0,,,,,,,
,,,DXC:X:75,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,HEM:X:72,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:73,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:74,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:X:76,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:77,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:78,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SEL,,,,,,,
,,,DXC:X:75,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,HEM:X:72,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:73,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:74,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:X:76,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:77,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:78,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SJ1,,,,,,,
,,,DXC:X:75,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,HEM:X:72,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:73,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:74,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:X:76,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:77,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:78,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3SJ4,,,,,,,
,,,DXC:X:75,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,HEM:X:72,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:73,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:X:74,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:X:76,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:77,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:78,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6Y5Y,,,,,,,
,,,MG:A:410,Part of Protein,,,,,[Mg+2],
,,,MG:H:407,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:G:409,Part of Protein,,,,,[Mg+2],
,,,MG:F:407,Part of Protein,,,,,[Mg+2],
,,,MG:I:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,Part of Protein,,,,,[Mg+2],
,,,MG:D:408,Part of Protein,,,,,[Mg+2],
,,,MG:F:408,Part of Protein,,,,,[Mg+2],
,,,MG:B:409,Part of Protein,,,,,[Mg+2],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL SIA:R:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:T:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:S:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,GLC GAL SIA:O:1,valid,,,,,,
,,,GLC GAL SIA:M:1,valid,,,,,,
,,,GLC GAL SIA:P:1,valid,,,,,,
,,,GLC GAL SIA:K:1,valid,,,,,,
,Family. Representative Entry is ,4DO1,,,,,,,
,,,ANN:A:502,valid,Kd,=,0.28,uM,COc1ccc(cc1)C(=O)O,
,,,ANN:B:502,valid,Kd,=,0.28,uM,COc1ccc(cc1)C(=O)O,
,,,ANN:C:502,valid,Kd,=,0.28,uM,COc1ccc(cc1)C(=O)O,
,,,ANN:D:502,valid,Kd,=,0.28,uM,COc1ccc(cc1)C(=O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:C:505,invalid,,,,,[Cl-],
,,,CL:D:505,invalid,,,,,[Cl-],
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6PQW,,,,,,,
,,,OVV:A:501,valid,Kd,=,89,uM,Cc1cccc(c1)C(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,6U30,,,,,,,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PQM:A:501,valid,Kd,=,2.3,uM,c1cc(cnc1)c2ccc(cc2)C(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,6PQD,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OVP:A:502,valid,Kd,=,33,uM,CSc1cccc(c1)C(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,6PQ6,,,,,,,
,,,OVM:A:501,valid,Kd,=,69,uM,COc1cccc(c1)C(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,6U3K,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:502,invalid,,,,,[Cl-],
,,,PQS:A:503,valid,Kd,=,1,uM,c1ccnc(c1)c2ccc(cc2)C(=O)O,
,,6PQS,,,,,,,
,,,4MA:A:502,valid,Kd,=,0.66,uM,Cc1ccc(cc1)C(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,6PRR,,,,,,,
,,,OW4:A:501,valid,Kd,=,31,uM,CNc1cccc(c1)C(=O)O,
,,,HEM:A:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,4EGN,,,,,,,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,CL:C:507,invalid,,,,,[Cl-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TWO:A:504,valid,Kd,=,29.5,uM,COc1ccc(cc1OC)C(=O)O,
,,,TWO:D:506,valid,Kd,=,29.5,uM,COc1ccc(cc1OC)C(=O)O,
,,,TWO:B:505,valid,Kd,=,29.5,uM,COc1ccc(cc1OC)C(=O)O,
,,,TWO:C:506,valid,Kd,=,29.5,uM,COc1ccc(cc1OC)C(=O)O,
,,4EGO,,,,,,,
,,,1F1:B:502,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:A:503,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:D:503,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:D:501,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:C:502,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:C:503,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:A:504,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:B:503,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,1F1:A:502,valid,Kd,=,44.4,uM,c1cc(cc2c1cc[nH]2)C(=O)O,
,,,SO4:D:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,CL:C:508,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:D:507,invalid,,,,,[Cl-],
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6PRS,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,OW7:A:502,valid,Kd,=,82,uM,CCOc1cccc(c1)C(=O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3MF2,,,,,,,
,,,AMP:A:1010,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1010,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:A:1011,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:327,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1000,Part of Protein,,,,,[Zn+2],
,,3MEY,,,,,,,
,,,ATP:A:1010,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1010,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1001,Part of Protein,,,,,[Mg+2],
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1000,Part of Protein,,,,,[Zn+2],
,,3MF1,,,,,,,
,,,G5A:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,G5A:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)CN)O)O)N,
,,,ZN:A:1000,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1000,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4HXY,,,,,,,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ACA:B:502,valid,,,,,C(CCC(=O)O)CCN,
,Family. Representative Entry is ,1RLJ,,,,,,,
,,,FMN:A:151,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,IOD:A:152,invalid,,,,,[I-],
,,,IOD:A:153,invalid,,,,,[I-],
,Family. Representative Entry is ,6BKK,,,,,,,
,,,308:B:101,valid,,,,,C1C2CC3CC1CC(C2)(C3)N,
,,,308:F:101,valid,,,,,C1C2CC3CC1CC(C2)(C3)N,
,,,CL:C:101,invalid,,,,,[Cl-],
,,,CL:E:101,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6OBD,,,,,,,
,,,ZN:L:301,Part of Protein,,,,,[Zn+2],
,,,ZN:H:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,invalid,,,,,[Zn+2],
,,,ASN ASP THR SER GLN THR SER SER PRO SER OPE:F:3,valid,,,,,P(=O)(OCCNC(O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(=O)[O-])C(O)C)CO)CCC(=O)N)C(O)C)CO)CO)CCC1)CO)([O-])[O-],
,Family. Representative Entry is ,6XTE,,,,,,,
,,,FC0 ARG VAL OAR:B:1,valid,,,,,O=C(NC(C(O)[N-]C(CO)CCCNC(=[NH2+])N)C(C)C)C([N-]C(O)[NH2+]C(C=O)Cc1ccccc1)CCCNC(=[NH2+])N,
,,,NI:A:1201,invalid,,,,,[Ni+2],
,,,NI:A:1202,invalid,,,,,[Ni+2],
,,,CL:A:1203,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6ZAY,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:306,Part of Protein,,,,,[Mg+2],
,,,MG:B:310,Part of Protein,,,,,[Mg+2],
,,,GDP:A:307,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:311,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEG:B:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:307,invalid,,,,,C(COCCO)O,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:309,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:B:308,invalid,,,,,C(COCCO)O,
,,6Y09,,,,,,,
,,,PEG:B:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:305,invalid,,,,,C(COCCO)O,
,,,PEG:A:306,invalid,,,,,C(COCCO)O,
,,,PEG:B:310,invalid,,,,,C(COCCO)O,
,,,PEG:B:311,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,,PEG:B:309,invalid,,,,,C(COCCO)O,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,PEG:B:308,invalid,,,,,C(COCCO)O,
,,,GTP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2QIE,,,,,,,
,,,8CS:A:501,valid,,,,,C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O,
,,,8CS:E:501,valid,,,,,C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O,
,,,8CS:H:501,valid,,,,,C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O,
,,,8CS:K:501,valid,,,,,C1[C@@H]2[C@@H](C(=O)[C@H]3[C@@H](O2)NC4=C(N3)C(=O)NC(=N4)N)O[P@@](=O)(O1)O,
,Family. Representative Entry is ,6R41,,,,,,,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1005,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:A:1001,Part of Protein,,,,,[K+],
,,,GAL BGC SIA:B:1,valid,,,,,,
,Family. Representative Entry is ,4ZI2,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4ZI3,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4MJ0,,,,,,,
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:405,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,SIA SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SIA SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(OC3C(O)C(O)C(O)OC3CO)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,,,GAL SIA SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)CO)OC(OC2C(O)C(O)OC(CO)C2O)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,6LZI,,,,,,,
,,,ADP:A:407,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,6LZJ,,,,,,,
,,,ACP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5W7Q,,,,,,,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6A5Q,,,,,,,
,,,MLA:B:301,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:C:301,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:A:301,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,4JMO,,,,,,,
,,,JAF:A:301,valid,Ki,=,1.61,mM,Cc1cc(cc(c1NS(=O)(=O)c2ccc(cc2)OC)C)O,
,,4L5M,,,,,,,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HRC:A:302,valid,,,,,Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O,
,,4JWL,,,,,,,
,,,HRC:A:301,valid,,,,,Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O,
,,4JXH,,,,,,,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,HRC:A:301,valid,Ki,=,3.72,mM,Cc1cc(cc(c1NS(=O)(=O)c2ccccc2)C)O,
,Family. Representative Entry is ,4ETZ,,,,,,,
,,,C2E:A:501,valid,Kd,~,0.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:501,valid,Kd,~,0.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,4EU0,,,,,,,
,,,C2E:A:501,valid,Kd,=,0.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,4DN0,,,,,,,
,,,C2E:A:501,valid,Kd,=,1.9,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:502,valid,Kd,=,1.9,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4EUV,,,,,,,
,,,C2E:A:501,valid,Kd,~,0.5,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6SR6,,,,,,,
,,,MG:C:701,invalid,,,,,[Mg+2],
,,,MG:A:701,invalid,,,,,[Mg+2],
,,,ATP:C:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5YRJ,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:D:1,valid,,,,,,
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,6GMN,,,,,,,
,,,ACT:F:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:A:201,invalid,,,,,CC(=O)[O-],
,,,ACT:I:301,invalid,,,,,CC(=O)[O-],
,,,ACT:L:301,invalid,,,,,CC(=O)[O-],
,,,F4E:B:201,valid,,,,,COC(=O)c1cc2c([nH]1)cco2,
,,,F4E:K:201,valid,,,,,COC(=O)c1cc2c([nH]1)cco2,
,Family. Representative Entry is ,6C3C,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EJ1:B:409,valid,,,,,[H]/N=C(N)/NCCCC(=N/C=C1/C(=CNC(=C1O)C)COP(=O)(O)O)C(=O)O,
,,,EJ1:A:406,valid,,,,,[H]/N=C(N)/NCCCC(=N/C=C1/C(=CNC(=C1O)C)COP(=O)(O)O)C(=O)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,6C3A,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EGV:A:407,valid,,,,,[H]/N=C(/N)NC[C@H](CC(=O)C(=O)O)O,
,,,EGV:B:407,valid,,,,,[H]/N=C(/N)NC[C@H](CC(=O)C(=O)O)O,
,,,PEG:A:403,invalid,,,,,C(COCCO)O,
,,6C3D,,,,,,,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EMS:A:407,valid,,,,,[H]/N=C(N)/NCC=CC(=N/C=C1/C(=CNC(=C1O)C)COP(=O)(O)O)C(=O)O,
,,,EMS:B:408,valid,,,,,[H]/N=C(N)/NCC=CC(=N/C=C1/C(=CNC(=C1O)C)COP(=O)(O)O)C(=O)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4TM3,,,,,,,
,,,BR:D:503,invalid,,,,,[Br-],
,,,BR:A:502,invalid,,,,,[Br-],
,,,BR:A:504,invalid,,,,,[Br-],
,,,BR:D:506,invalid,,,,,[Br-],
,,,BR:C:508,invalid,,,,,[Br-],
,,,BR:B:507,invalid,,,,,[Br-],
,,,BR:A:505,invalid,,,,,[Br-],
,,,BR:C:505,invalid,,,,,[Br-],
,,,BR:D:513,invalid,,,,,[Br-],
,,,BR:D:509,invalid,,,,,[Br-],
,,,BR:A:514,invalid,,,,,[Br-],
,,,BR:B:506,invalid,,,,,[Br-],
,,,BR:C:504,invalid,,,,,[Br-],
,,,BR:D:510,invalid,,,,,[Br-],
,,,BR:D:507,invalid,,,,,[Br-],
,,,BR:A:506,invalid,,,,,[Br-],
,,,BR:C:509,invalid,,,,,[Br-],
,,,BR:A:510,invalid,,,,,[Br-],
,,,BR:D:512,invalid,,,,,[Br-],
,,,BR:D:511,invalid,,,,,[Br-],
,,,BR:B:508,invalid,,,,,[Br-],
,,,BR:B:504,invalid,,,,,[Br-],
,,,BR:A:511,invalid,,,,,[Br-],
,,,BR:B:503,invalid,,,,,[Br-],
,,,BR:B:510,invalid,,,,,[Br-],
,,,BR:D:505,invalid,,,,,[Br-],
,,,BR:D:502,invalid,,,,,[Br-],
,,,BR:D:504,invalid,,,,,[Br-],
,,,BR:A:512,invalid,,,,,[Br-],
,,,BR:A:507,invalid,,,,,[Br-],
,,,BR:B:509,invalid,,,,,[Br-],
,,,BR:D:508,invalid,,,,,[Br-],
,,,BR:C:503,invalid,,,,,[Br-],
,,,BR:C:507,invalid,,,,,[Br-],
,,,BR:B:505,invalid,,,,,[Br-],
,,,BR:C:510,invalid,,,,,[Br-],
,,,BR:C:502,invalid,,,,,[Br-],
,,,BR:A:513,invalid,,,,,[Br-],
,,,BR:A:515,invalid,,,,,[Br-],
,,,BR:A:503,invalid,,,,,[Br-],
,,,BR:A:508,invalid,,,,,[Br-],
,,,BR:A:509,invalid,,,,,[Br-],
,,,BR:B:511,invalid,,,,,[Br-],
,,,BR:B:512,invalid,,,,,[Br-],
,,,BR:B:502,invalid,,,,,[Br-],
,,,BR:C:506,invalid,,,,,[Br-],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4TLX,,,,,,,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:C:505,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:505,Part of Protein,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,K:D:505,Part of Protein,,,,,[K+],
,,,FDA:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ORN:A:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,4TM1,,,,,,,
,,,BR:D:503,invalid,,,,,[Br-],
,,,BR:D:506,invalid,,,,,[Br-],
,,,BR:A:504,invalid,,,,,[Br-],
,,,BR:C:508,invalid,,,,,[Br-],
,,,BR:B:507,invalid,,,,,[Br-],
,,,BR:A:505,invalid,,,,,[Br-],
,,,BR:C:505,invalid,,,,,[Br-],
,,,BR:D:513,invalid,,,,,[Br-],
,,,BR:D:509,invalid,,,,,[Br-],
,,,BR:B:506,invalid,,,,,[Br-],
,,,BR:C:504,invalid,,,,,[Br-],
,,,BR:D:510,invalid,,,,,[Br-],
,,,BR:D:507,invalid,,,,,[Br-],
,,,BR:A:506,invalid,,,,,[Br-],
,,,BR:C:509,invalid,,,,,[Br-],
,,,BR:A:510,invalid,,,,,[Br-],
,,,BR:D:512,invalid,,,,,[Br-],
,,,BR:D:511,invalid,,,,,[Br-],
,,,BR:B:508,invalid,,,,,[Br-],
,,,BR:B:504,invalid,,,,,[Br-],
,,,BR:D:514,invalid,,,,,[Br-],
,,,BR:B:503,invalid,,,,,[Br-],
,,,BR:A:511,invalid,,,,,[Br-],
,,,BR:D:505,invalid,,,,,[Br-],
,,,BR:D:504,invalid,,,,,[Br-],
,,,BR:D:508,invalid,,,,,[Br-],
,,,BR:B:509,invalid,,,,,[Br-],
,,,BR:A:507,invalid,,,,,[Br-],
,,,BR:C:503,invalid,,,,,[Br-],
,,,BR:C:507,invalid,,,,,[Br-],
,,,BR:B:505,invalid,,,,,[Br-],
,,,BR:A:503,invalid,,,,,[Br-],
,,,BR:A:508,invalid,,,,,[Br-],
,,,BR:A:509,invalid,,,,,[Br-],
,,,BR:C:506,invalid,,,,,[Br-],
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,FDA:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FDA:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=C(N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,4TLZ,,,,,,,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K:A:506,Part of Protein,,,,,[K+],
,,,K:C:505,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,K:B:505,invalid,,,,,[K+],
,,,K:C:504,Part of Protein,,,,,[K+],
,,,K:B:504,Part of Protein,,,,,[K+],
,,,K:D:504,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,NAP:B:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:502,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,ORN:A:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:B:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:D:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,,,ORN:C:503,valid,,,,,C(C[C@@H](C(=O)O)N)CN,
,Family. Representative Entry is ,6UCF,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:A:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,5I8C,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE LEU:C:512,valid,,,,,O=C(NC(C=O)Cc1ccccc1)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C)C)C(C)C,
,,6UCE,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,3IAA,,,,,,,
,,,TYD:A:398,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:398,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4QA8,,,,,,,
,,,PJZ:A:301,valid,,,,,CCCCCCCCCCCC(=O)OC(C)COC(=O)CC/C=C/C=C/C=C/C=C/C=C/CC,
,Family. Representative Entry is ,4NTX,,,,,,,
,,,P6G:A:506,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,AMR:A:507,valid,,,,,c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N,
,,,AMR:A:509,valid,,,,,c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N,
,,,AMR:A:508,valid,,,,,c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,NA:C:201,Part of Protein,,,,,[Na+],
,,,NA:A:504,invalid,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3LF0,,,,,,,
,,,ATP:A:701,valid,Kd,=,1.93,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:701,valid,Kd,=,1.93,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:701,valid,Kd,=,1.93,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1O72,,,,,,,
,,,PC:A:1176,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,PC:B:1176,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,Family. Representative Entry is ,4CZG,,,,,,,
,,,ADP:A:1336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1337,invalid,,,,,[Mg+2],
,,,QH3:A:1335,valid,,,,,[H]/N=C(N)/SCc1ccc(c(c1)Cl)Cl,
,,4CZL,,,,,,,
,,,MG:A:1348,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1349,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CZF,,,,,,,
,,,MG:A:1346,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1347,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4CZH,,,,,,,
,,,ADP:A:1336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1337,invalid,,,,,[Mg+2],
,,,F90:A:1335,valid,,,,,[H]/N=C(N)/SCc1ccc(cc1)Cl,
,,4CZM,,,,,,,
,,,ANP:B:1346,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:1346,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:1345,invalid,,,,,[Mg+2],
,,,MG:A:1345,invalid,,,,,[Mg+2],
,,4CZJ,,,,,,,
,,,MG:A:1335,invalid,,,,,[Mg+2],
,,,MG:B:1335,invalid,,,,,[Mg+2],
,,,ANP:A:1336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:1336,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,5HZX,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2GE:B:201,valid,ic50,=,2.8,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,2GE:A:201,valid,ic50,=,2.8,nM,c1cc(c(c(c1)Cl)Cl)c2cc(nc(n2)N)NC3CC3,
,,,ACT:B:204,invalid,,,,,CC(=O)[O-],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:206,invalid,,,,,C(COCCO)O,
,,5OTN,,,,,,,
,,,EDO:A:216,invalid,,,,,C(CO)O,
,,,EDO:A:215,invalid,,,,,C(CO)O,
,,,EDO:A:214,invalid,,,,,C(CO)O,
,,,CA:A:212,Part of Protein,,,,,[Ca+2],
,,,CA:A:211,Part of Protein,,,,,[Ca+2],
,,,CA:A:213,Part of Protein,,,,,[Ca+2],
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:208,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,CL:A:217,invalid,,,,,[Cl-],
,,,6OG:A:201,valid,,,,,COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,Family. Representative Entry is ,5N0J,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:412,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:402,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5ODE,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:400,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5FQ0,,,,,,,
,,,NI:A:1113,Part of Protein,,,,,[Ni+2],
,,,NI:D:1113,Part of Protein,,,,,[Ni+2],
,,,NI:B:1113,Part of Protein,,,,,[Ni+2],
,,,NI:C:1114,Part of Protein,,,,,[Ni+2],
,,,HIS HIS HIS HIS HIS HIS NI :H:1,invalid,,,,,,
,,,FLC:B:1114,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:1114,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:1114,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:1115,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,3NJQ,,,,,,,
,,,ACT:A:1,invalid,,,,,CC(=O)[O-],
,,,GOL:B:197,invalid,,,,,C(C(CO)O)O,
,,,NJQ:A:197,valid,Kd,=,1.7,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,NJQ:B:198,valid,Kd,=,1.7,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,NJQ:B:199,valid,Kd,=,1.7,uM,c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)C(=O)O,
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6IRL,,,,,,,
,,,ARG ARG GLU VAL HIS THR TYR TYR:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(C)C)Cc1nc[nH]c1)C(O)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1,
,Family. Representative Entry is ,6Q55,,,,,,,
,,,IPA:A:507,invalid,,,,,CC(C)O,
,,,IPA:A:506,invalid,,,,,CC(C)O,
,,,IPA:A:505,invalid,,,,,CC(C)O,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:511,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,MG:A:514,Part of Protein,,,,,[Mg+2],
,,,MG:A:513,Part of Protein,,,,,[Mg+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,HJB:A:503,valid,,,,,[B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O,
,Family. Representative Entry is ,4RM0,,,,,,,
,,,NDG GAL FUC:D:1,valid,,,,,,
,,,NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,6W3Z,,,,,,,
,,,NAD:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:C:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,CL:B:403,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5WGG,,,,,,,
,,,SAM:A:504,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:503,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,Family. Representative Entry is ,5HDA,,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:C:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:C:601,Part of Protein,,,,,[Zn+2],
,,,SER MET PRO GLU LEU SER PRO VAL LEU:B:381,valid,Kd,=,7.4,uM,S(CCC(NC(=O)C([NH3+])CO)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C=O)C(C)C)CCC2)CO)CC(C)C)CCC(=O)[O-])CCC1)C,
,,,SER MET PRO GLU LEU SER PRO VAL LEU:D:381,valid,Kd,=,7.4,uM,S(CCC(NC(=O)C([NH3+])CO)C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C=O)C(C)C)CCC2)CO)CC(C)C)CCC(=O)[O-])CCC1)C,
,Family. Representative Entry is ,4FE9,,,,,,,
,,,EDO:A:509,invalid,,,,,C(CO)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,EDO:A:511,invalid,,,,,C(CO)O,
,,,EDO:A:512,invalid,,,,,C(CO)O,
,,,EDO:A:513,invalid,,,,,C(CO)O,
,,,EDO:A:515,invalid,,,,,C(CO)O,
,,,EDO:A:518,invalid,,,,,C(CO)O,
,,,EDO:A:520,invalid,,,,,C(CO)O,
,,,GOL:A:517,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:519,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:521,invalid,,,,,C(C(CO)O)O,
,,,NA:A:514,Part of Protein,,,,,[Na+],
,,,PO4:A:516,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC GLC GLC GLC:B:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,5N9X,,,,,,,
,,,MG:A:603,invalid,,,,,[Mg+2],
,,,THR:A:601,valid,,,,,C[C@H]([C@@H](C(=O)O)N)O,
,,,ATP:A:602,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,8QN:B:601,valid,,,,,C[C@H]([C@@H](C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O,
,Family. Representative Entry is ,3TLC,,,,,,,
,,,7MD:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N,
,,,7MD:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(NC(=O)[C@H](CC(=O)O)N)OCCCN)O)O)N,
,,,EDO:A:500,invalid,,,,,C(CO)O,
,,,EDO:B:500,invalid,,,,,C(CO)O,
,,3TLB,,,,,,,
,,,DSZ:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,DSZ:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,,3TLE,,,,,,,
,,,EDO:B:500,invalid,,,,,C(CO)O,
,,,GSU:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N,
,,,GSU:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N,
,,3TLZ,,,,,,,
,,,AMP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,EDO:A:345,invalid,,,,,C(CO)O,
,,,EDO:A:346,invalid,,,,,C(CO)O,
,,,EDO:A:347,invalid,,,,,C(CO)O,
,,,EDO:B:345,invalid,,,,,C(CO)O,
,,,EDO:B:346,invalid,,,,,C(CO)O,
,,,EDO:B:347,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4ONT,,,,,,,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:1304,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,4ZH1,,,,,,,
,,,BGC GAL SIA NGA:I:1,valid,,,,,,
,,,BGC GAL SIA NGA GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,5MR6,,,,,,,
,,,GOL:Q:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:W:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:V:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:U:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:X:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:602,invalid,,,,,C(C(CO)O)O,
,,,FAD:I:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:T:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:Q:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:J:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:R:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:O:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:K:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:V:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:W:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:L:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:H:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:M:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:N:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:S:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:U:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:X:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:P:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:F:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6HT0,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,GQ8:A:210,valid,Kd,=,0.0058,uM,C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C6CC6,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6HPY,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GKN:A:205,valid,,,,,CC(C)(C)c1ccc(cc1)C(=O)Nc2ccc(cc2)CCC(=O)O,
,,6HT1,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GQ5:A:210,valid,Kd,=,0.077,uM,C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c4)cnn5C,
,,6HPW,,,,,,,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,GKT:A:209,valid,Kd,~,807,nM,Cc1ccc(cc1I)C(=O)Nc2ccc3c(c2)[nH]c(n3)CN4CCCCC4,
,,6HPZ,,,,,,,
,,,ALY:A:203,valid,,,,,CC(=O)NCCCC[C@@H](C(=O)O)N,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6HPX,,,,,,,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,GKQ:A:205,valid,,,,,c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4,
,Family. Representative Entry is ,6WND,,,,,,,
,,,U5A:B:504,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,,,U5A:C:505,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,,,U5A:A:506,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:C:511,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:C:510,invalid,,,,,[Cl-],
,,,FE:A:507,Part of Protein,,,,,[Fe+3],
,,,FE:B:505,Part of Protein,,,,,[Fe+3],
,,,FE:C:506,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6CI7,,,,,,,
,,,ACP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:E:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:F:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,ACP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:E:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:F:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4MUV,,,,,,,
,,,PCG:A:401,valid,Kd,=,336,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:401,valid,Kd,=,336,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:B:402,Part of Protein,,,,,[Na+],
,,1VP6,,,,,,,
,,,BR:A:356,invalid,,,,,[Br-],
,,,BR:A:357,invalid,,,,,[Br-],
,,,BR:A:358,invalid,,,,,[Br-],
,,,BR:A:359,invalid,,,,,[Br-],
,,,BR:A:360,invalid,,,,,[Br-],
,,,BR:A:361,invalid,,,,,[Br-],
,,,BR:A:362,invalid,,,,,[Br-],
,,,BR:A:363,invalid,,,,,[Br-],
,,,BR:A:364,invalid,,,,,[Br-],
,,,BR:A:365,invalid,,,,,[Br-],
,,,BR:A:366,invalid,,,,,[Br-],
,,,BR:A:367,invalid,,,,,[Br-],
,,,BR:C:356,invalid,,,,,[Br-],
,,,BR:C:357,invalid,,,,,[Br-],
,,,BR:C:358,invalid,,,,,[Br-],
,,,BR:C:359,invalid,,,,,[Br-],
,,,CMP:A:368,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:360,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,3CL1,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:A:2,invalid,,,,,[Cl-],
,,,K:A:356,Part of Protein,,,,,[K+],
,,,K:B:2,Part of Protein,,,,,[K+],
,,,K:B:3,Part of Protein,,,,,[K+],
,,,PCG:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,PCG:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4C(O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N,
,,,POL:B:200,invalid,,,,,CCCO,
,,3CLP,,,,,,,
,,,CMP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:C:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,Family. Representative Entry is ,4YOZ,,,,,,,
,,,ASP LEU TYR CYS TYR GLU GLN LEU ASN:B:21,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(C)C)Cc1ccc(O)cc1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)N)CC(C)C)CCC(=O)N)CCC(=O)[O-])Cc1ccc(O)cc1,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1002,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1JK4,,,,,,,
,,,CD:A:301,invalid,,,,,[Cd+2],
,,,CD:A:302,invalid,,,,,[Cd+2],
,,,CD:A:303,invalid,,,,,[Cd+2],
,,,CYS TYR PHE GLN ASN CYS PRO LYS GLY:B:1,valid,,,,,O=C(N)CCC1C(=O)NC(CC(=O)N)C(=O)NC(C=O)CSSCC([NH3+])C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)N1,
,Family. Representative Entry is ,6V33,,,,,,,
,,,0FX:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,FOL:B:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:A:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,Family. Representative Entry is ,4TZ5,,,,,,,
,,,BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,4PEY,,,,,,,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,4PEX,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,BGC:B:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4TZ3,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:704,invalid,,,,,C(CO)O,
,,,EDO:A:703,invalid,,,,,C(CO)O,
,,,BGC:A:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,4TZ1,,,,,,,
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,4PF0,,,,,,,
,,,EDO:A:712,invalid,,,,,C(CO)O,
,,,EDO:B:712,invalid,,,,,C(CO)O,
,,,BGC BGC BGC BGC BGC:D:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:F:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:E:1,valid,,,,,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,4TYV,,,,,,,
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:704,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:703,invalid,,,,,C(CO)O,
,,,BGC:B:701,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4PEZ,,,,,,,
,,,BGC BGC BGC BGC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,EDO:A:706,invalid,,,,,C(CO)O,
,,,EDO:A:708,invalid,,,,,C(CO)O,
,,,EDO:A:707,invalid,,,,,C(CO)O,
,,,BGC:A:705,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6PDH,,,,,,,
,,,PGE:A:202,invalid,,,,,C(COCCOCCO)O,
,,,OAV:A:201,valid,Kd,=,62,uM,CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N,
,,6PD7,,,,,,,
,,,OAJ:A:201,valid,Kd,=,290,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O,
,,6PBI,,,,,,,
,,,O6Y:A:201,valid,Kd,=,365,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,6PVZ,,,,,,,
,,,OZM:A:201,valid,Kd,=,341,uM,c1ccc(cc1)Cc2ccc3c(c2)occ3CC(=O)O,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,6PLI,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,ONY:A:201,valid,Kd,=,230,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C,
,,6PML,,,,,,,
,,,PEG:A:201,invalid,,,,,C(COCCO)O,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,OR4:A:202,valid,Kd,=,820,uM,c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O,
,,6BR4,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,CU:B:202,Part of Protein,,,,,[Cu+2],
,,,60L:A:201,valid,,,,,CNCc1cccc(c1)c2cccs2,
,,4ZIJ,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,SFQ:A:201,valid,Kd,=,565,uM,c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I,
,,6PMF,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,LD9:A:201,valid,,,,,c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O,
,,4WF4,,,,,,,
,,,WF4:B:201,valid,Kd,=,777,uM,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,6WHD,,,,,,,
,,,CU:B:202,invalid,,,,,[Cu+2],
,,,KFS:B:201,valid,Kd,=,490,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O,
,,,KFS:A:201,valid,Kd,=,490,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)O,
,,4WET,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,WEF:A:201,valid,Kd,=,444,uM,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)O,
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,6PGJ,,,,,,,
,,,CU:B:202,Part of Protein,,,,,[Cu+2],
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,OAJ:B:203,valid,,,,,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@@H]3C(=O)O,
,,,OMJ:A:201,valid,,,,,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOC[C@H]3C(=O)O,
,,6PC9,,,,,,,
,,,O7P:A:201,valid,Kd,=,480,uM,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C,
,,,PGE:B:201,invalid,,,,,C(COCCOCCO)O,
,,6POQ,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,OVJ:A:201,valid,Kd,=,2700,uM,COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O,
,,6BQX,,,,,,,
,,,9AG:A:201,valid,,,,,CNCc1ccc(cc1)Oc2ccccc2,
,,4WF5,,,,,,,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,WF4:A:201,valid,Kd,=,777,uM,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O,
,,,WF4:A:202,valid,Kd,=,777,uM,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,6PG1,,,,,,,
,,,O7P:A:201,valid,,,,,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCN(C(=O)C3)C,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,6PIQ,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,OAV:A:201,valid,,,,,CCN(CCn1cccn1)C(=O)Cc2ccc(cc2)Oc3ccc(c(c3)C)C#N,
,,6POI,,,,,,,
,,,OVS:A:201,valid,Kd,=,326,uM,c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,6PG2,,,,,,,
,,,O6Y:A:201,valid,,,,,Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N3CCOCC3,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,6PVY,,,,,,,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:B:201,invalid,,,,,CS(=O)C,
,,,OZG:A:201,valid,Kd,=,639,uM,COc1cccc(c1)Oc2ccc3c(c2)occ3CC(=O)O,
,,,PEG:A:203,invalid,,,,,C(COCCO)O,
,,,CU:B:202,Part of Protein,,,,,[Cu+2],
,,4WEY,,,,,,,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EG6:B:202,valid,Kd,=,318,uM,Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)C(=O)NC(CO)C(=O)O,
,,6POH,,,,,,,
,,,CU:B:201,Part of Protein,,,,,[Cu+2],
,,,OVG:A:201,valid,Kd,=,1970,uM,CCCCOc1ccc2c(c1)occ2CC(=O)O,
,Family. Representative Entry is ,6YWN,,,,,,,
,,,2TM:A:702,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,6YWO,,,,,,,
,,,MG:B:705,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,invalid,,,,,[Mg+2],
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:C:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:704,invalid,,,,,[Mg+2],
,,,MG:C:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,CL:A:701,invalid,,,,,[Cl-],
,,,CL:B:701,invalid,,,,,[Cl-],
,,,A   A   A  :E:-2,valid,,,,,,
,,,A   A   A  :K:-2,valid,,,,,,
,,,A   A   A  :I:-2,valid,,,,,,
,,,A   A   A  :F:-2,valid,,,,,,
,Family. Representative Entry is ,3LXI,,,,,,,
,,,CAM:A:423,valid,Kd,=,9.1,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:423,valid,Kd,=,9.1,uM,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:A:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PO4:A:424,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:425,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:426,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:424,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4C9O,,,,,,,
,,,CAM:B:423,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:A:423,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:B:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CYN:A:424,invalid,,,,,[C-]#N,
,,,CYN:B:424,invalid,,,,,[C-]#N,
,,6WGW,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CAH:B:502,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,CAH:A:502,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:B:503,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,4C9N,,,,,,,
,,,HEM:B:1418,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:1418,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:A:1419,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:1420,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAH:A:1420,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,CAH:B:1419,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,GOL:A:1421,invalid,,,,,C(C(CO)O)O,
,,4C9P,,,,,,,
,,,GOL:A:1419,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1418,invalid,,,,,C(C(CO)O)O,
,,,CAM:A:423,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:423,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,HEM:B:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,4C9K,,,,,,,
,,,CAH:A:423,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,CAH:B:423,valid,,,,,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,,,HEM:B:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:422,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:B:424,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:A:424,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,4C9L,,,,,,,
,,,HEM:A:1418,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:1418,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CAM:A:1419,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CAM:B:1419,valid,,,,,CC1([C@@H]2CC[C@]1(C(=O)C2)C)C,
,,,CYN:B:1420,invalid,,,,,[C-]#N,
,,,CYN:A:1420,invalid,,,,,[C-]#N,
,Family. Representative Entry is ,1EWJ,,,,,,,
,,,BLM:A:1001,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:B:1002,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:C:1004,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:D:1003,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:E:2001,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:F:2002,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:G:2004,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:H:2003,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,Family. Representative Entry is ,4K7O,,,,,,,
,,,DMS:C:201,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,EKZ:C:202,valid,Kd,=,50,uM,CC(C)(C)c1ccc(c(c1)O)O,
,,,EKZ:B:201,valid,Kd,=,50,uM,CC(C)(C)c1ccc(c(c1)O)O,
,,,EKZ:A:201,valid,Kd,=,50,uM,CC(C)(C)c1ccc(c(c1)O)O,
,,1HD2,,,,,,,
,,,BEZ:A:201,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BR:A:301,invalid,,,,,[Br-],
,,,BR:A:302,invalid,,,,,[Br-],
,,,BR:A:303,invalid,,,,,[Br-],
,,,BR:A:304,invalid,,,,,[Br-],
,,,BR:A:305,invalid,,,,,[Br-],
,,4K7N,,,,,,,
,,,MCT:A:201,valid,Kd,=,330,uM,Cc1ccc(c(c1)O)O,
,,,MCT:B:201,valid,Kd,=,330,uM,Cc1ccc(c(c1)O)O,
,,,MCT:C:201,valid,Kd,=,330,uM,Cc1ccc(c(c1)O)O,
,,4K7I,,,,,,,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:A:202,invalid,,,,,CS(=O)C,
,,,CAQ:A:201,valid,Kd,=,1500,uM,c1ccc(c(c1)O)O,
,,,CAQ:B:201,valid,Kd,=,1500,uM,c1ccc(c(c1)O)O,
,,1OC3,,,,,,,
,,,BEZ:A:201,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:201,valid,,,,,c1ccc(cc1)C(=O)O,
,,4MMM,,,,,,,
,,,BP7:A:201,valid,Kd,=,150,uM,c1ccc(cc1)c2ccc(c(c2)O)O,
,,,BP7:C:201,valid,Kd,=,150,uM,c1ccc(cc1)c2ccc(c(c2)O)O,
,,1H4O,,,,,,,
,,,BEZ:A:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:B:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:C:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:D:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:E:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:F:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:G:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,,,BEZ:H:1162,valid,,,,,c1ccc(cc1)C(=O)O,
,Family. Representative Entry is ,3NCQ,,,,,,,
,,,ACT:A:121,invalid,,,,,CC(=O)[O-],
,,,ACT:B:120,invalid,,,,,CC(=O)[O-],
,,,ACT:C:120,invalid,,,,,CC(=O)[O-],
,,,ATP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP MG:B:202,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,ATP MG:C:200,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-].[Mg+2],
,,,CL:A:120,invalid,,,,,[Cl-],
,,,MG:A:122,Part of Protein,,,,,[Mg+2],
,,,PO4:C:121,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:122,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3NCR,,,,,,,
,,,ACT:B:121,invalid,,,,,CC(=O)[O-],
,,,ACT:C:121,invalid,,,,,CC(=O)[O-],
,,,ADP MG:A:120,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ADP MG:B:120,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,ADP MG:C:120,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,CL:A:121,invalid,,,,,[Cl-],
,,,PO4:A:122,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:123,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:122,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:122,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5HGR,,,,,,,
,,,45D:B:501,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,,,45D:A:501,valid,,,,,CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)C)C)/C)/C,
,Family. Representative Entry is ,5VH4,,,,,,,
,,,NAD:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:H:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:H:303,invalid,,,,,C(CO)O,
,,,EDO:L:301,invalid,,,,,C(CO)O,
,,,EDO:H:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2GGX,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,NPJ:A:700,valid,ic50,=,0.32,mM,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NPJ:B:700,valid,ic50,=,0.32,mM,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,NPJ:C:700,valid,ic50,=,0.32,mM,c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,2RIA,,,,,,,
,,,289:A:356,valid,ic50,=,2.7,mM,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O,
,,,289:B:356,valid,ic50,=,2.7,mM,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O,
,,,289:C:356,valid,ic50,=,2.7,mM,C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,3G81,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MMA:A:500,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:500,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:500,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,2ORJ,,,,,,,
,,,BM3:A:1,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:B:1,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,BM3:C:1,valid,,,,,CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,2RIE,,,,,,,
,,,293:A:356,valid,,,,,C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O,
,,,293:B:356,valid,,,,,C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O,
,,,293:C:356,valid,,,,,C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,2RIC,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,GMH:A:356,invalid,,,,,C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O,
,,,GMH GMH:E:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(C(O)CO)O2)C(O)C(C(O)CO)O1,
,,,GMH GMH:D:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(C(O)CO)O2)C(O)C(C(O)CO)O1,
,,3G84,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,2ORK,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,IPD:B:995,valid,ic50,=,1.4,mM,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,,IPD:C:995,valid,ic50,=,1.4,mM,[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O,
,,2OS9,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,INS:A:631,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:B:632,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,,INS:C:633,valid,,,,,C1(C(C(C(C(C1O)O)O)O)O)O,
,,2GGU,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:F:1,valid,ic50,=,0.94,mM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,ic50,=,0.94,mM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,ic50,=,0.94,mM,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3G83,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,,,MAN MAN:F:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,2RID,,,,,,,
,,,291:A:501,valid,ic50,=,1.7,mM,C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O,
,,,291:B:502,valid,ic50,=,1.7,mM,C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O,
,,,291:C:503,valid,ic50,=,1.7,mM,C=CCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](COC(=O)N)O)O)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:402,Part of Protein,,,,,[Ca+2],
,,,CA:C:403,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4RDN,,,,,,,
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6MD:B:601,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,,,6MD:A:601,valid,,,,,CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,
,Family. Representative Entry is ,1Y7P,,,,,,,
,,,RIP:A:4182,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:B:4183,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RIP:C:4181,valid,,,,,C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:C:302,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2XOD,,,,,,,
,,,CAC:A:1121,invalid,,,,,C[As](=O)(C)[O-],
,,,FMN:A:1119,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:A:1120,Part of Protein,,,,,[Zn+2],
,,2XOE,,,,,,,
,,,ACT:A:1123,invalid,,,,,CC(=O)[O-],
,,,CAC:A:1124,invalid,,,,,C[As](=O)(C)[O-],
,,,FMN:A:1119,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:A:1120,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1121,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1122,Part of Protein,,,,,[Zn+2],
,,2X2O,,,,,,,
,,,CAC:A:1124,invalid,,,,,C[As](=O)(C)[O-],
,,,FMN:A:1119,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:A:1120,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1121,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1122,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1123,Part of Protein,,,,,[Zn+2],
,,2X2P,,,,,,,
,,,CAC:A:1124,invalid,,,,,C[As](=O)(C)[O-],
,,,FMN:A:1119,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ZN:A:1120,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1121,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1122,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1123,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4NCW,,,,,,,
,,,2KN:B:101,valid,,,,,CCNC(=O)c1cc(cc(c1)C(=O)NCC)C(=O)NCC,
,Family. Representative Entry is ,6J18,,,,,,,
,,,MG:A:1402,Part of Protein,,,,,[Mg+2],
,,,ATP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6IN7,,,,,,,
,,,NCA:B:201,valid,,,,,c1cc(cnc1)C(=O)N,
,Family. Representative Entry is ,4GNI,,,,,,,
,,,ATP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:B:501,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5YY4,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASP ILE ASN TYS TYS THR SER GLU PRO:B:2,valid,Kd,=,140,nM,S(=O)(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)CC(=O)N)Cc2ccc(OS(=O)(=O)[O-])cc2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)CCC(=O)[O-])CO)C(O)C)cc1)[O-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,5YD4,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASP ILE ASN TYR TYR ALA SER GLU PRO:F:1,valid,Kd,=,13,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C,
,,,ASP ILE ASN TYR TYR ALA SER GLU PRO:D:2,valid,Kd,=,13,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C,
,,,ASP ILE ASN TYR TYR ALA SER GLU PRO:H:3,valid,Kd,=,13,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C,
,,,ASP ILE ASN TYR TYR ALA SER GLU PRO:B:2,valid,Kd,=,13,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)CC(=O)N)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C,
,,5YD3,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASP ILE ASN TYR TYR THR SER GLU PRO:H:3,valid,Kd,=,480,nM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C)CC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,,,ASP ILE ASN TYR TYR THR SER GLU PRO:D:2,valid,Kd,=,480,nM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C)CC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,,,ASP ILE ASN TYR TYR THR SER GLU PRO:B:2,valid,Kd,=,480,nM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C)CC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,,,ASP ILE ASN TYR TYR THR SER GLU PRO:F:1,valid,Kd,=,480,nM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])C(CC)C)CC(=O)N)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,5YD5,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASP ILE ALA TYR TYR THR SER GLU PRO:D:2,valid,Kd,=,1.3,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,,,ASP ILE ALA TYR TYR THR SER GLU PRO:B:2,valid,Kd,=,1.3,uM,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(CC)C)C)Cc1ccc(O)cc1)Cc1ccc(O)cc1)C(O)C,
,Family. Representative Entry is ,3PUN,,,,,,,
,,,NDG FUC GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,3PVD,,,,,,,
,,,NDG FUC GAL SIA:D:1,valid,,,,,,
,,,NDG FUC GAL SIA:C:1,valid,,,,,,
,Family. Representative Entry is ,2J4D,,,,,,,
,,,FAD:A:1498,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MHF:A:1499,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,,,MHF:B:1502,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,,2IJG,,,,,,,
,,,FAD:X:526,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,MHF:X:527,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNC4=C([N@]3C2)C(=O)N=C(N4)N,
,Family. Representative Entry is ,2NLQ,,,,,,,
,,,GLY:D:401,valid,,,,,C(C(=O)O)N,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3GAC,,,,,,,
,,,ACY:C:1,invalid,,,,,CC(=O)O,
,,,ACY:E:121,invalid,,,,,CC(=O)O,
,,,ACY:F:1,invalid,,,,,CC(=O)O,
,,,ENO:E:122,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,SO4:A:119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:119,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:120,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:119,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3DJL,,,,,,,
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,FAD:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5THY,,,,,,,
,,,GDS:B:502,invalid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4XSH,,,,,,,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GSP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,5BWM,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NAI:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,4XSG,,,,,,,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GSP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6EJI,,,,,,,
,,,UD2:B:401,valid,ic50,=,303,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,UD2:A:401,valid,ic50,=,303,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O,
,,,K:B:402,invalid,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,CL:B:406,invalid,,,,,[Cl-],
,,,CL:A:407,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,NA:B:404,invalid,,,,,[Na+],
,,,NA:A:405,invalid,,,,,[Na+],
,,,NA:B:405,invalid,,,,,[Na+],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6HRO,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GKZ:A:607,valid,ic50,=,0.05,uM,Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl,
,,,GKZ:B:709,valid,ic50,=,0.05,uM,Cc1c(c([nH]n1)c2ccc(cc2O)OCC[NH+]3CCC(CC3)C(=O)N)c4ccc(cc4)Cl,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,UNK UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6HS4,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,DMS:A:609,invalid,,,,,CS(=O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,GON:A:608,valid,ic50,=,3.1,uM,c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N,
,,,GON:A:607,valid,ic50,=,3.1,uM,c1ccc(cc1)c2cn[nH]c2c3ccc(cc3O)OCCN4CCC(CC4)C(=O)N,
,,,UNK UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6G95,,,,,,,
,,,DMS:A:608,invalid,,,,,CS(=O)C,
,,,DMS:A:606,invalid,,,,,CS(=O)C,
,,,DMS:B:707,invalid,,,,,CS(=O)C,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,RTZ:B:708,valid,,,,,C[N@]1CCCC[C@@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6F6I,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:B:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:705,invalid,,,,,C(C(CO)O)O,
,,,8PR:A:509,valid,Kd,=,0.65,mM,c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,DMS:A:505,invalid,,,,,CS(=O)C,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6G9I,,,,,,,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:B:701,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG BMA MAN:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CXX:B:707,valid,Kd,=,118,uM,CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6F6N,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,NAG NAG BMA MAN MAN:C:1,invalid,,,,,,
,,,SRE:A:508,valid,Kd,=,0.95,mM,CN[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,6G9B,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:A:611,invalid,,,,,CS(=O)C,
,,,DMS:A:610,invalid,,,,,CS(=O)C,
,,,IXX:A:609,valid,Kd,=,584,uM,CN(C)CCCN1c2ccccc2CCc3c1cccc3,
,,,IXX:B:705,valid,Kd,=,584,uM,CN(C)CCCN1c2ccccc2CCc3c1cccc3,
,,,UNK UNK UNK UNK UNK UNK UNK:A:471,invalid,,,,,,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,6F6S,,,,,,,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:702,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:703,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,DMS:B:710,invalid,,,,,CS(=O)C,
,,,DMS:A:509,invalid,,,,,CS(=O)C,
,,,DMS:A:510,invalid,,,,,CS(=O)C,
,,,DMS:B:708,invalid,,,,,CS(=O)C,
,,,DMS:A:513,invalid,,,,,CS(=O)C,
,,,DMS:A:512,invalid,,,,,CS(=O)C,
,,,DMS:A:511,invalid,,,,,CS(=O)C,
,,,DMS:A:514,invalid,,,,,CS(=O)C,
,,,DMS:B:706,invalid,,,,,CS(=O)C,
,,,DMS:B:707,invalid,,,,,CS(=O)C,
,,,DMS:A:508,invalid,,,,,CS(=O)C,
,,,DMS:B:711,invalid,,,,,CS(=O)C,
,,,DMS:B:709,invalid,,,,,CS(=O)C,
,,,CXQ:B:705,valid,Kd,=,1.3,mM,CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4,
,,,CXQ:A:507,valid,Kd,=,1.3,mM,CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4,
,,,UNK UNK UNK UNK UNK UNK:A:472,invalid,,,,,,
,Family. Representative Entry is ,5H7K,,,,,,,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4J7Q,,,,,,,
,,,B7N:B:401,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,B7N:A:401,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCC=C/CCCCCCCC,
,Family. Representative Entry is ,1U4L,,,,,,,
,,,ACY:B:201,invalid,,,,,CC(=O)O,
,,,SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,1U4M,,,,,,,
,,,ACY:B:201,invalid,,,,,CC(=O)O,
,,,GNS UAP:C:1,valid,,,,,S(=O)(=O)(OC1C(OC2C(O)C(NS(=O)(=O)[O-])C(O)OC2CO)OC(C(=O)[O-])=CC1O)[O-],
,Family. Representative Entry is ,3DNT,,,,,,,
,,,ATP:A:500,valid,Kd,=,18,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:501,valid,Kd,=,18,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:441,Part of Protein,,,,,[Mg+2],
,,,MG:A:442,Part of Protein,,,,,[Mg+2],
,,,MG:B:441,Part of Protein,,,,,[Mg+2],
,,,MG:B:442,Part of Protein,,,,,[Mg+2],
,,,SO4:A:833,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:834,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MNS,,,,,,,
,,,2AX:A:201,valid,,,,,C[C@H]1CS[C@@H]2[C@H](C[C@H]1C(=O)O)C(=O)c3ccncc3C2=O,
,,4A87,,,,,,,
,,,MPD:A:1160,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1169,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1162,Part of Protein,,,,,[Na+],
,,,NAR:A:1161,valid,,,,,c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O,
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1166,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1167,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1168,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A8V,,,,,,,
,,,2AN:A:1160,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,MPD:A:1161,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1165,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1167,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1166,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4A86,,,,,,,
,,,2AN:A:1160,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,H35:A:1161,valid,,,,,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A85,,,,,,,
,,,H35:A:1160,valid,,,,,c1cc(oc1)CNc2c3c(nc[nH]3)ncn2,
,,,MPD:A:1167,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1168,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1169,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:1166,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,4A83,,,,,,,
,,,DXC:A:1160,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:A:1161,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,MPD:A:1167,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1165,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1166,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A80,,,,,,,
,,,2AN:A:1160,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,SO4:A:1161,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1162,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1164,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1FM4,,,,,,,
,,,DXC:A:1001,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:A:1002,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,4A81,,,,,,,
,,,2AN:A:1162,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,DXC:A:1161,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,MPD:A:1163,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:1164,Part of Protein,,,,,[Na+],
,,,SO4:A:1160,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4A84,,,,,,,
,,,DXC:A:1160,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DXC:A:1161,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,MPD:A:1162,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SO4:A:1163,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6ET8,,,,,,,
,,,BWH:A:301,valid,Kd,=,5.6,nM,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O,
,,,BWH:B:301,valid,Kd,=,5.6,nM,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@@H](CC#N)C(=O)Nc3ccc(cc3)C(=O)Nc4ccc(c(c4OC)O)C(=O)Nc5ccc(c(c5OC)O)C(=O)O,
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6H96,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FWE:A:301,valid,,,,,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N,
,,,FWE:B:301,valid,,,,,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N,
,,6HAI,,,,,,,
,,,FWW:A:302,valid,,,,,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O,
,,,FWW:B:301,valid,,,,,C/C(=Cc1ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3CC(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4ZNO,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,EPE:B:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,4ZNR,,,,,,,
,,,PEG:B:409,invalid,,,,,C(COCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:408,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,EPE:B:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:411,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:407,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:410,invalid,,,,,C(COCCOCCO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,1PE:B:413,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:B:412,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:409,invalid,,,,,C(COCCOCCOCCO)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,4ZNQ,,,,,,,
,,,EPE:B:404,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PGE:A:405,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:408,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:409,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:407,invalid,,,,,C(COCCOCCO)O,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,PG4:A:408,invalid,,,,,C(COCCOCCOCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5KEW,,,,,,,
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,6SB:A:301,valid,Kd,=,315.4,nM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,6SB:D:301,valid,Kd,=,315.4,nM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,6SB:F:301,valid,Kd,=,315.4,nM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,6SB:B:301,valid,Kd,=,315.4,nM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3OII,,,,,,,
,,,GOL:A:254,invalid,,,,,C(C(CO)O)O,
,,,SAH:A:253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:253,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,2V3K,,,,,,,
,,,SAM:A:1254,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SO4:A:1252,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1253,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3WUR,,,,,,,
,,,O4B:A:201,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:204,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:203,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:B:201,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,O4B:A:202,valid,,,,,C1COCCOCCOCCOCCOCCO1,
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TLA:B:207,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4UUW,,,,,,,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,4UUX,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,APR:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,4UOC,,,,,,,
,,,NCN:A:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,,,NCN:B:400,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-])O)O)C(=O)O,
,Family. Representative Entry is ,6OHK,,,,,,,
,,,FMN:A:201,valid,Kd,=,9,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,6OHL,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FMN:A:201,valid,Kd,=,34,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3S0E,,,,,,,
,,,EOL:A:120,valid,Kd,=,90,nM,COc1cc(ccc1O)CC=C,
,,3S0B,,,,,,,
,,,FNA:A:120,valid,Kd,=,0.32,uM,c1ccc(cc1)Nc2cccc3c2cccc3,
,,3S0D,,,,,,,
,,,CTV:A:120,valid,Kd,=,280,nM,CC(=CCC/C(=CC#N)/C)C,
,Family. Representative Entry is ,5MFI,,,,,,,
,,,LYS ARG LYS ARG LYS ARG LYS ARG:D:1,valid,,,,,O=CC(N)CCCNC(=[NH2+])N,
,,,LYS ARG LYS ARG LYS ARG LYS ARG:C:1,valid,,,,,O=CC(N)CCCNC(=[NH2+])N,
,,5MFK,,,,,,,
,,,LYS ARG LYS ARG LYS ARG LYS ARG:D:1,valid,,,,,O=CC(N)CCCNC(=[NH2+])N,
,,,LYS ARG LYS ARG LYS ARG LYS ARG:C:1,valid,,,,,O=CC(N)CCCNC(=[NH2+])N,
,,4D49,,,,,,,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:G:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:H:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:C:1,invalid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:D:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG:D:1011,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:E:1011,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,5MFJ,,,,,,,
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:C:4,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:D:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,Family. Representative Entry is ,3TII,,,,,,,
,,,ANP:B:710,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP MG:A:700,valid,,,,,P(=O)(OP(=O)([O-])NP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[Mg+2],
,,,MG:A:381,Part of Protein,,,,,[Mg+2],
,,,MG:A:382,Part of Protein,,,,,[Mg+2],
,,,MG:B:381,Part of Protein,,,,,[Mg+2],
,,,MG:B:382,Part of Protein,,,,,[Mg+2],
,,,MG:B:383,Part of Protein,,,,,[Mg+2],
,,,MG:B:384,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4OCX,,,,,,,
,,,MT1:L:301,valid,Kd,~,3.6,pM,CN(Cc1cnc2c(n1)c(nc([nH+]2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,Family. Representative Entry is ,2OBD,,,,,,,
,,,1PE:A:490,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:491,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,2OB:A:485,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,
,,,2OB:A:486,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C,
,,,CL:A:493,invalid,,,,,[Cl-],
,,,EPE:A:489,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PCW:A:487,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,PCW:A:488,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,PG4:A:492,invalid,,,,,C(COCCOCCOCCO)O,
,,,NAG NDG FUC:B:1,Part of Protein,,,,,,
,Family. Representative Entry is ,4NS0,,,,,,,
,,,PIO:A:601,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4NP9,,,,,,,
,,,I3P:A:601,valid,,,,,[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5HZ7,,,,,,,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:A:509,Part of Protein,,,,,[Na+],
,,,NA:A:506,Part of Protein,,,,,[Na+],
,,,NA:A:508,invalid,,,,,[Na+],
,,,NA:A:505,Part of Protein,,,,,[Na+],
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,BGC:A:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC GLC GLC:B:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5E6O,,,,,,,
,,,TRP GLU GLU LEU:H:1,valid,Kd,=,76.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,,,TRP GLU GLU LEU:F:1,valid,Kd,=,76.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,,,TRP GLU GLU LEU:G:1,valid,Kd,=,76.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,,,TRP GLU GLU LEU:E:1,valid,Kd,=,76.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])CCC(=O)[O-])CC(C)C,
,Family. Representative Entry is ,5F74,,,,,,,
,,,AMP:A:301,valid,Kd,=,7.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5LN8,,,,,,,
,,,GAL:A:201,valid,Kd,=,44.3,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4OUJ,,,,,,,
,,,GLC GAL:C:1,valid,Kd,=,1.39,mM,,
,,,GLC GAL:D:1,valid,Kd,=,1.39,mM,,
,Family. Representative Entry is ,6EGN,,,,,,,
,,,PRO:B:102,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:102,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,ZN:C:101,Part of Protein,,,,,[Zn+2],
,,,ZN:A:101,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,15P:A:104,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,15P:A:103,invalid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,CL:A:105,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4KVG,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4TU8,,,,,,,
,,,DIO:B:401,invalid,,,,,C1COCCO1,
,,,DIO:B:402,invalid,,,,,C1COCCO1,
,,,DIO:B:403,invalid,,,,,C1COCCO1,
,,,DIO:B:404,invalid,,,,,C1COCCO1,
,,,DIO:A:401,invalid,,,,,C1COCCO1,
,,,DIO:A:402,invalid,,,,,C1COCCO1,
,,,DIO:B:405,invalid,,,,,C1COCCO1,
,,,DU  DU  DU  DU  BRU DA  DU :E:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)CC(N5C(=O)NC(=O)C=C5)O4)[O-])CC(n4c5ncnc(N)c5nc4)O3)[O-])C2)C=1,
,,,DU  DU  DU  DU  BRU DA  DU :P:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)CC(N5C(=O)NC(=O)C=C5)O4)[O-])CC(n4c5ncnc(N)c5nc4)O3)[O-])C2)C=1,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CPQ:B:406,invalid,,,,,C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,4TU9,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DIO:B:401,invalid,,,,,C1COCCO1,
,,,DIO:A:403,invalid,,,,,C1COCCO1,
,,,DIO:A:401,invalid,,,,,C1COCCO1,
,,,DIO:A:402,invalid,,,,,C1COCCO1,
,,,DIO:B:402,invalid,,,,,C1COCCO1,
,,,CPQ:B:403,invalid,,,,,C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DU  DU  DU  DU  BRU DG  DU :P:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)([O-])[O-])CC(n4c5N=C(N)NC(=O)c5nc4)O3)[O-])C2)C=1,
,,,DU  DU  DU  DU  BRU DG  DU :E:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)([O-])[O-])CC(n4c5N=C(N)NC(=O)c5nc4)O3)[O-])C2)C=1,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,4TU7,,,,,,,
,,,DIO:B:401,invalid,,,,,C1COCCO1,
,,,DIO:B:402,invalid,,,,,C1COCCO1,
,,,DIO:A:401,invalid,,,,,C1COCCO1,
,,,DIO:A:402,invalid,,,,,C1COCCO1,
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,CPQ:B:403,invalid,,,,,C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,DU  DU  DU  DU  BRU DU  DU :P:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)CC(N5C(=O)NC(=O)C=C5)O4)[O-])CC(N4C(=O)NC(=O)C=C4)O3)[O-])C2)C=1,
,,,DU  DU  DU  DU  BRU DU  DU :E:1,valid,,,,,BrC=1C(=O)NC(=O)N(C2OC(COP(=O)(OC3C(COP(=O)(OC4C(COP(=O)(OC5C(COP(=O)(OC6C(CO)OC(N7C(=O)NC(=O)C=C7)C6)[O-])OC(N6C(=O)NC(=O)C=C6)C5)[O-])OC(N5C(=O)NC(=O)C=C5)C4)[O-])OC(N4C(=O)NC(=O)C=C4)C3)[O-])C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)CC(N5C(=O)NC(=O)C=C5)O4)[O-])CC(N4C(=O)NC(=O)C=C4)O3)[O-])C2)C=1,
,Family. Representative Entry is ,6J0G,,,,,,,
,,,H6P:A:501,valid,Kd,=,2.3,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:D:501,valid,Kd,=,2.3,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:C:501,valid,Kd,=,2.3,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:501,valid,Kd,=,2.3,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,6J0K,,,,,,,
,,,H6P:A:501,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,,H6P:B:501,valid,,,,,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,Family. Representative Entry is ,3TNF,,,,,,,
,,,GNP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:199,Part of Protein,,,,,[Mg+2],
,,,MPD:A:1,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:177,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:2,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:3,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6WMA,,,,,,,
,,,DC  DC :B:1,valid,,,,,,
,,,ZN:A:401,Part of Protein,,,,,[Zn+2],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5DKK,,,,,,,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6RQP,,,,,,,
,,,LI1:A:503,invalid,,,,,CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C,
,,,LI1:A:505,invalid,,,,,CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C,
,,,LI1:A:504,invalid,,,,,CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C,
,,,LI1:A:502,invalid,,,,,CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C,
,,,OLC:A:508,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:506,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:507,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,RET:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,6RQO,,,,,,,
,,,RET:A:501,valid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,6Q8J,,,,,,,
,,,XS4:A:601,valid,,,,,CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC,
,,,XS4:A:602,valid,,,,,CC(C)(C)NC(=O)Nc1c(cc2cnc(nc2n1)NCc3cn(nn3)C4CCN(CC4)Cc5ccccc5)c6cc(cc(c6)OC)OC,
,Family. Representative Entry is ,5KWW,,,,,,,
,,,SO4:F:611,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:609,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:610,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:612,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:F:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,6YA:F:613,valid,Kd,=,7.4,nM,CS(=O)(=O)CCCn1c2ccc(cc2cc1CN3c4cnccc4N(C3=O)CC(F)(F)F)Cl,
,,,NHE:F:602,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,5EA4,,,,,,,
,,,NHE:F:601,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:F:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5NM:F:607,valid,Kd,=,7.8,nM,CS(=O)(=O)CCCn1c2ccc(cc2nc1CN3c4cnccc4N(C3=O)C5CC5)Br,
,,6VKE,,,,,,,
,,,SO4:F:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:F:604,invalid,,,,,[Cl-],
,,,CL:F:603,invalid,,,,,[Cl-],
,,,R0S:F:602,valid,,,,,COc1ccc(cc1OC)N2c3ccncc3N(C2=O)Cc4cc5cc(ccc5n4CCCC#N)Cl,
,,,NHE:F:601,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,6VKD,,,,,,,
,,,SO4:F:607,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:608,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:606,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:F:602,invalid,,,,,[Cl-],
,,,R0P:F:601,valid,,,,,CS(=O)(=O)CCCn1c2ccncc2cc1CN3c4cnccc4N(C3=O)C5CC5,
,Family. Representative Entry is ,4S1D,,,,,,,
,,,41M:P:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2,
,,,41M:E:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2,
,,,41M:H:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2,
,,,41M:D:301,valid,,,,,C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2,
,,,SO4:O:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2NS1,,,,,,,
,,,ADP:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BOG:A:601,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:602,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:603,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:604,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:605,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:606,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:607,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:608,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,TRS:A:701,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:702,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2NUU,,,,,,,
,,,ADP:G:1200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:1400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:1300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:1500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:1700,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:1600,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5CAD,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,PCA:A:403,valid,,,,,C1CC(=O)N[C@@H]1C(=O)O,
,Family. Representative Entry is ,4KAX,,,,,,,
,,,GOL:B:1102,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1103,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1104,invalid,,,,,C(C(CO)O)O,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,K:A:205,Part of Protein,,,,,[K+],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,4IP:B:1101,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,6EGU,,,,,,,
,,,NAG:A:1301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1302,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,43Y:B:1305,valid,,,,,CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC,
,,,43Y:C:1303,valid,,,,,CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC,
,,,43Y:A:1305,valid,,,,,CCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC,
,,,NAG FUL:D:1,invalid,,,,,,
,,,NAG FUL:E:1,invalid,,,,,,
,Family. Representative Entry is ,6DMF,,,,,,,
,,,EDO:E:610,invalid,,,,,C(CO)O,
,,,EDO:B:611,invalid,,,,,C(CO)O,
,,,EDO:D:609,invalid,,,,,C(CO)O,
,,,EDO:H:609,invalid,,,,,C(CO)O,
,,,EDO:A:610,invalid,,,,,C(CO)O,
,,,EDO:B:612,invalid,,,,,C(CO)O,
,,,EDO:G:609,invalid,,,,,C(CO)O,
,,,EDO:C:610,invalid,,,,,C(CO)O,
,,,EDO:E:611,invalid,,,,,C(CO)O,
,,,EDO:G:608,invalid,,,,,C(CO)O,
,,,EDO:G:612,invalid,,,,,C(CO)O,
,,,EDO:E:612,invalid,,,,,C(CO)O,
,,,EDO:G:610,invalid,,,,,C(CO)O,
,,,EDO:I:609,invalid,,,,,C(CO)O,
,,,EDO:C:611,invalid,,,,,C(CO)O,
,,,EDO:C:609,invalid,,,,,C(CO)O,
,,,EDO:E:609,invalid,,,,,C(CO)O,
,,,EDO:G:611,invalid,,,,,C(CO)O,
,,,BGC BGC BGC BGC BGC BGC:L:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:Q:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:M:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:R:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:N:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:T:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:S:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:P:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC BGC:O:1,valid,Ka,=,3390,M^-1,O(C1C(O)C(OC2C(O)C(OC3C(O)C(O)OC(CO)C3O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,PEG:B:610,invalid,,,,,C(COCCO)O,
,,,PEG:A:608,invalid,,,,,C(COCCO)O,
,,,PEG:A:609,invalid,,,,,C(COCCO)O,
,,,PEG:B:609,invalid,,,,,C(COCCO)O,
,,,PEG:J:609,invalid,,,,,C(COCCO)O,
,,,MG:E:607,Part of Protein,,,,,[Mg+2],
,,,MG:F:607,Part of Protein,,,,,[Mg+2],
,,,MG:B:607,Part of Protein,,,,,[Mg+2],
,,,MG:D:607,Part of Protein,,,,,[Mg+2],
,,,MG:H:607,Part of Protein,,,,,[Mg+2],
,,,MG:I:607,Part of Protein,,,,,[Mg+2],
,,,MG:A:606,Part of Protein,,,,,[Mg+2],
,,,MG:G:607,Part of Protein,,,,,[Mg+2],
,,,MG:J:607,Part of Protein,,,,,[Mg+2],
,,,MG:C:607,Part of Protein,,,,,[Mg+2],
,,,ACT:B:608,invalid,,,,,CC(=O)[O-],
,,,ACT:J:608,invalid,,,,,CC(=O)[O-],
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,ACT:D:608,invalid,,,,,CC(=O)[O-],
,,,ACT:E:608,invalid,,,,,CC(=O)[O-],
,,,ACT:C:608,invalid,,,,,CC(=O)[O-],
,,,ACT:F:608,invalid,,,,,CC(=O)[O-],
,,,ACT:I:608,invalid,,,,,CC(=O)[O-],
,,,ACT:H:608,invalid,,,,,CC(=O)[O-],
,,,BGC BGC BGC BGC BGC:K:1,valid,,,,,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,3WYF,,,,,,,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5C8C,,,,,,,
,,,STE:A:301,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,K:A:303,invalid,,,,,[K+],
,Family. Representative Entry is ,3PMD,,,,,,,
,,,11A:A:151,valid,,,,,CCCCCCCCCCC(=O)O,
,,,CL:A:152,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6H5E,,,,,,,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:505,invalid,,,,,C(C(CO)O)O,
,,,ZN:D:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,PEG:C:305,invalid,,,,,C(COCCO)O,
,,,PEG:D:506,invalid,,,,,C(COCCO)O,
,,,PEG:D:507,invalid,,,,,C(COCCO)O,
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:D:503,Part of Protein,,,,,[Mg+2],
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,144:C:301,invalid,,,,,C[N+](CO)(CO)CO,
,Family. Representative Entry is ,5ZDN,,,,,,,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,CDP:A:301,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6J7M,,,,,,,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5IQL,,,,,,,
,,,ALA ALA ARG KCR SER ALA PRO ALA:B:24,valid,Kd,=,31.7,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CCCNC(=[NH2+])N)CCCC=NC(=O)C=CC)CO)C)CCC1)C,
,,6LSD,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACE ALA ALA ARG LBZ SER ALA PRO ALA:D:23,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)CCCNC(=[NH2+])N)CCCCNC(=O)c2ccccc2)CO)C)CCC1)C,
,,,ACE ALA ALA ARG LBZ SER ALA PRO ALA:C:23,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C)C)CCCNC(=[NH2+])N)CCCCNC(=O)c2ccccc2)CO)C)CCC1)C,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5JOP,,,,,,,
,,,GOL:L:313,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,PO4:H:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:305,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NAG GAL BGC GAL:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(COC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)OC1O)C,
,,,NAG GAL BGC GAL:A:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(COC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)OC1O)C,
,Family. Representative Entry is ,5LJI,,,,,,,
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:206,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,FMN:A:201,valid,Kd,=,83,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:201,valid,Kd,=,83,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3W21,,,,,,,
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,6CWH,,,,,,,
,,,6LA:A:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:C:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:B:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:D:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,6CWN,,,,,,,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,6LA:A:301,valid,Kd,=,226,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,6CWF,,,,,,,
,,,6LA:A:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:B:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,6CWI,,,,,,,
,,,6LA:A:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:B:201,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,6LA:A:202,valid,Kd,=,29,nM,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6CWR,,,,,,,
,,,6LA:A:201,valid,,,,,CC(=O)N[C@H]1[C@H]([C@H]2[C@@H](CO[C@](O2)(C)C(=O)O)O[C@H]1OC)O,
,,6CWL,,,,,,,
,,,FHY:B:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O,
,,,FHY:A:201,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)O)OC)NC(=O)C)CO)O)O,
,Family. Representative Entry is ,5J1J,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:504,Part of Protein,,,,,[Mg+2],
,,,MG:A:305,Part of Protein,,,,,[Mg+2],
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6Y64,,,,,,,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:405,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:G:406,invalid,,,,,C(CO)O,
,,,EDO:I:406,invalid,,,,,C(CO)O,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:F:404,invalid,,,,,C(CO)O,
,,,EDO:H:405,invalid,,,,,C(CO)O,
,,,EDO:J:404,invalid,,,,,C(CO)O,
,,,GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,MG:H:407,Part of Protein,,,,,[Mg+2],
,,,MG:F:405,Part of Protein,,,,,[Mg+2],
,,,MG:F:406,Part of Protein,,,,,[Mg+2],
,,,MG:C:405,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:406,Part of Protein,,,,,[Mg+2],
,,,MG:F:407,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:I:408,Part of Protein,,,,,[Mg+2],
,,,MG:I:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:G:407,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MG:H:406,Part of Protein,,,,,[Mg+2],
,,,SIA:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3H4L,,,,,,,
,,,ANP:A:397,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:397,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4XFR,,,,,,,
,,,CIT:A:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:502,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5AEI,,,,,,,
,,,ACT:C:1294,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1293,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1293,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1292,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1293,invalid,,,,,CC(=O)[O-],
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:F:1,valid,Kd,=,1.1,nM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:E:1,valid,Kd,=,1.1,nM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,,,LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG:D:1,valid,Kd,=,1.1,nM,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CCCNC(=[NH2+])N)CCCC[NH3+])C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCC[NH3+])CCCNC(=[NH2+])N,
,,,CA:C:1298,Part of Protein,,,,,[Ca+2],
,,,CA:B:1295,Part of Protein,,,,,[Ca+2],
,,,CA:C:1297,Part of Protein,,,,,[Ca+2],
,,,CA:B:1299,Part of Protein,,,,,[Ca+2],
,,,CA:B:1294,Part of Protein,,,,,[Ca+2],
,,,CA:B:1297,Part of Protein,,,,,[Ca+2],
,,,CA:A:1295,Part of Protein,,,,,[Ca+2],
,,,CA:B:1298,Part of Protein,,,,,[Ca+2],
,,,CA:C:1296,Part of Protein,,,,,[Ca+2],
,,,CA:A:1297,Part of Protein,,,,,[Ca+2],
,,,CA:A:1296,Part of Protein,,,,,[Ca+2],
,,,CA:C:1295,Part of Protein,,,,,[Ca+2],
,,,CA:B:1296,Part of Protein,,,,,[Ca+2],
,,,GOL:A:1294,invalid,,,,,C(C(CO)O)O,
,,5MFH,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:307,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,5MFF,,,,,,,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:F:101,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:E:101,invalid,,,,,C(CO)O,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,5MFE,,,,,,,
,,,CA:C:308,Part of Protein,,,,,[Ca+2],
,,,CA:C:309,Part of Protein,,,,,[Ca+2],
,,,CA:C:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:D:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:C:310,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:311,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:A:310,Part of Protein,,,,,[Ca+2],
,,,CA:A:311,Part of Protein,,,,,[Ca+2],
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:D:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,ARG ARG ARG ARG ARG ARG ARG ARG:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,,5MFG,,,,,,,
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:307,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,ARG ARG ARG ARG ARG ARG ARG ARG ARG ARG:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N,
,Family. Representative Entry is ,6WPL,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,K:A:503,invalid,,,,,[K+],
,,,CAH:A:502,valid,Kd,=,0.702,uM,CC1([C@H]2CC(=O)[C@@]1(C[C@H]2O)C)C,
,Family. Representative Entry is ,6CIB,,,,,,,
,,,OXM:C:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:B:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:E:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:F:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:D:403,valid,,,,,C(=O)(C(=O)O)N,
,,,OXM:A:403,valid,,,,,C(=O)(C(=O)O)N,
,,,MG:E:402,Part of Protein,,,,,[Mg+2],
,,,MG:F:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,ADP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4WBD,,,,,,,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CIT:A:602,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4K76,,,,,,,
,,,ALA ASN SER ARG TRP PRO THR THR ARG LEU:E:3,valid,Ki,=,4.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,,ALA ASN SER ARG TRP PRO THR THR ARG LEU:G:4,valid,Ki,=,4.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,,ALA ASN SER ARG TRP PRO THR THR ARG LEU:F:2,valid,Ki,=,4.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,,ALA ASN SER ARG TRP PRO THR THR ARG LEU:H:5,valid,Ki,=,4.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,,GOL:F:101,invalid,,,,,C(C(CO)O)O,
,,4NMT,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP PRO THR SER FAK ILE:D:1,valid,Kd,=,22.3,uM,FC(F)(F)C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C,
,,,ALA ASN SER ARG TRP PRO THR SER FAK ILE:C:4,valid,Kd,=,22.3,uM,FC(F)(F)C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C,
,,4K78,,,,,,,
,,,ALA ASN SER ARG TRP GLN ASP THR ARG LEU:B:1,valid,Ki,=,16.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)CC(=O)[O-])C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,4K6Y,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP GLN THR SER ILE ILE:C:3,valid,Ki,=,14.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG TRP GLN THR SER ILE ILE:D:1,valid,Ki,=,14.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)C(O)C)CO)C(CC)C)C(CC)C,
,,4JOE,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG ALA PRO THR SER ILE ILE:C:1,valid,Ki,=,275,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG ALA PRO THR SER ILE ILE:D:1,valid,Ki,=,275,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4JOJ,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG PHE PRO THR SER ILE ILE:C:3,valid,Ki,=,110,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG PHE PRO THR SER ILE ILE:D:1,valid,Ki,=,110,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2ccccc2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4JOR,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ARG LEU GLN ARG ARG ARG GLU THR GLN VAL:D:6,valid,Ki,=,490,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC(=O)N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,,,ARG LEU GLN ARG ARG ARG GLU THR GLN VAL:C:1,valid,Ki,=,490,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CCCNC(=[NH2+])N)CC(C)C)CCC(=O)N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,,6OV7,,,,,,,
,,,ALA ASN SER ARG TRP GLN VAL THR ARG VAL:C:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)C(C)C)C(O)C)CCCNC(=[NH2+])N)C(C)C,
,,,ALA ASN SER ARG TRP GLN VAL THR ARG VAL:D:3,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)C(C)C)C(O)C)CCCNC(=[NH2+])N)C(C)C,
,,4JOG,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG VAL PRO THR SER ILE ILE:D:3,valid,Ki,=,190,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CO)CCCNC(=[NH2+])N)C(C)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG VAL PRO THR SER ILE ILE:C:3,valid,Ki,=,190,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CO)CCCNC(=[NH2+])N)C(C)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4K72,,,,,,,
,,,ALA ASN SER ARG VAL GLN ASP SER ILE ILE:D:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)C(C)C)CCC(=O)N)CC(=O)[O-])CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG VAL GLN ASP SER ILE ILE:C:7,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)C(C)C)CCC(=O)N)CC(=O)[O-])CO)C(CC)C)C(CC)C,
,,4NMO,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP PRO THR SER ALY ILE:C:4,valid,Kd,=,39.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)CO)CCCCNC(=O)C)C(CC)C,
,,,ALA ASN SER ARG TRP PRO THR SER ALY ILE:D:1,valid,Kd,=,39.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)C(O)C)CO)CCCCNC(=O)C)C(CC)C,
,,4JOK,,,,,,,
,,,ALA ASN SER ARG TYR PRO THR SER ILE ILE:C:2,valid,Ki,=,85.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG TYR PRO THR SER ILE ILE:D:5,valid,Ki,=,85.3,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2ccc(O)cc2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,4K75,,,,,,,
,,,ALA ASN SER ARG TRP GLN ASP THR ARG LEU:B:4,valid,Ki,=,56.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCC(=O)N)CC(=O)[O-])C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,4JOP,,,,,,,
,,,THR ARG ARG GLU THR GLN LEU:C:4,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)CC(C)C,
,,,THR ARG ARG GLU THR GLN LEU:D:4,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)CC(C)C,
,,4JOH,,,,,,,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG HIS PRO THR SER ILE ILE:C:4,valid,Ki,=,450,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)Cc2nc[nH]c2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG HIS PRO THR SER ILE ILE:D:6,valid,Ki,=,450,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)Cc2nc[nH]c2)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4NMP,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP PRO ALY SER ILE ILE:D:1,valid,Kd,=,122,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)CCCCNC(=O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG TRP PRO ALY SER ILE ILE:C:5,valid,Kd,=,122,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc2c3c([nH]c2)cccc3)CCC1)CCCCNC(=O)C)CO)C(CC)C)C(CC)C,
,,4NMQ,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP ALY THR SER ILE ILE:C:1,valid,Kd,=,64.6,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)C(CC)C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCCNC(=O)C)C(O)C,
,,,ALA ASN SER ARG TRP ALY THR SER ILE ILE:D:1,valid,Kd,=,64.6,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)C(CC)C)CO)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2)CCCCNC(=O)C)C(O)C,
,,4NMR,,,,,,,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG ALY PRO THR SER ILE ILE:C:1,valid,Kd,=,298,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)CCCCNC(=O)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG ALY PRO THR SER ILE ILE:D:5,valid,Kd,=,298,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)CCCCNC(=O)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4NMV,,,,,,,
,,,ALA ASN SER ARG TRP PRO THR SER 2KP ILE:C:5,valid,Kd,=,20,uM,Brc1ccc(C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc3c4c([nH]c3)cccc4)CCC2)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C)cc1,
,,,ALA ASN SER ARG TRP PRO THR SER 2KP ILE:D:1,valid,Kd,=,20,uM,Brc1ccc(C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc3c4c([nH]c3)cccc4)CCC2)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C)cc1,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,4JOF,,,,,,,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG LEU PRO THR SER ILE ILE:C:4,valid,Ki,=,68,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CC(C)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,,ALA ASN SER ARG LEU PRO THR SER ILE ILE:D:5,valid,Ki,=,68,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CCCNC(=[NH2+])N)CC(C)C)CCC1)C(O)C)CO)C(CC)C)C(CC)C,
,,4NMS,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,ALA ASN SER ARG TRP PRO THR SER 2KK ILE:D:1,valid,Kd,=,27.9,uM,Fc1ccc(C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc3c4c([nH]c3)cccc4)CCC2)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C)cc1,
,,,ALA ASN SER ARG TRP PRO THR SER 2KK ILE:C:5,valid,Kd,=,27.9,uM,Fc1ccc(C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)CO)CCCNC(=[NH2+])N)Cc3c4c([nH]c3)cccc4)CCC2)C(O)C)CO)C(=O)NC(C(=O)[O-])C(CC)C)cc1,
,Family. Representative Entry is ,4EO3,,,,,,,
,,,FMN:A:401,valid,Kd,=,68,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,Kd,=,68,nM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MRD:A:404,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4D57,,,,,,,
,,,ARG AMP:A:1491,valid,,,,,P(=O)(OC(=O)C([NH3+])CCCNC(=[NH2+])N)(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-],
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1493,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1494,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4D4G,,,,,,,
,,,ANP:A:1489,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1492,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1490,invalid,,,,,C(C(CO)O)O,
,,4D56,,,,,,,
,,,GOL:A:1494,invalid,,,,,C(C(CO)O)O,
,,,TYR AMP:A:1491,valid,,,,,P(=O)(OC(O)C([NH3+])Cc1ccc(O)cc1)(OCC1C(O)C(O)C([NH+]2C3[NH2+]C[NH2+]C([NH3+])C3[NH2+]C2)O1)[O-],
,,,PO4:A:1493,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1492,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4D4I,,,,,,,
,,,ANP:A:1490,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1493,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1492,invalid,,,,,C(C(CO)O)O,
,,,ARG:A:1491,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,1I36,,,,,,,
,,,NAP:A:1350,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1750,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4FBV,,,,,,,
,,,BMA MAN MAN MAN MAN:B:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,BMA MAN MAN MAN MAN:C:1,valid,,,,,O=C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)O1,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:312,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6S9E,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,IMD:C:504,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:504,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,AF3:B:507,invalid,,,,,F[Al](F)F,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:F:502,Part of Protein,,,,,[Mg+2],
,,,ACP:F:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,CL:A:504,invalid,,,,,[Cl-],
,,6GZE,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:C:503,Part of Protein,,,,,[Ca+2],
,,,MG:C:502,invalid,,,,,[Mg+2],
,,,MG:B:504,invalid,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MG:D:502,invalid,,,,,[Mg+2],
,,,GTP:C:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACP:F:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,,,MES:B:505,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GDP BEF:D:501,valid,,,,,P(=O)(OP(=O)(O[Be])[O-])(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-].[F-].[F-].[F-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4FBL,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,CL:D:301,invalid,,,,,[Cl-],
,,,SPD:A:301,valid,,,,,C(CCNCCCN)CN,
,,,SPD:B:301,valid,,,,,C(CCNCCCN)CN,
,,,SPD:C:301,valid,,,,,C(CCNCCCN)CN,
,Family. Representative Entry is ,2YP9,,,,,,,
,,,EPE:A:1504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1505,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1506,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1038,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1063,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1126,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1133,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1285,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,SIA CMO:A:1508,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC)(C(=O)[O-])CC1O)C,
,,,TAM:A:1507,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,2YP8,,,,,,,
,,,EPE:A:1504,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1505,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1506,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1038,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1063,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1126,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1133,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1285,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1483,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,SIA:A:1508,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,TAM:A:1507,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,2YP4,,,,,,,
,,,EPE:A:1512,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,TAM:A:1519,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,BGC GAL NAG GAL SIA:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,4WEA,,,,,,,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,SIA:A:610,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,2YP5,,,,,,,
,,,EPE:A:811,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:812,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:813,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:801,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:802,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:809,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:803,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,TAM:A:816,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,GAL SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,2YP3,,,,,,,
,,,EPE:A:1513,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:1514,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,NAG:A:1504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,invalid,,,,,,
,,,TAM:A:1518,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,NAG GAL SIA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4AKB,,,,,,,
,,,P6G:A:1134,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,GAL:E:1134,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:1134,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:C:1134,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,4AKC,,,,,,,
,,,A2G GAL:L:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:K:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:I:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,5HC8,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,PIS:A:402,valid,,,,,OP(=O)(O)O[P@](=O)(O)[S-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,61G:A:403,valid,,,,,CC(=C)C=C,
,,,ISY:A:405,valid,,,,,CC(=C)CCS[P@@](=O)(O)OP(=O)(O)O,
,,5HC7,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,DST:A:403,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,,,DST:A:402,valid,,,,,CC(=CCS[P@@](=O)(O)OP(=O)(O)O)C,
,Family. Representative Entry is ,2PZE,,,,,,,
,,,ASP PHE SER SER LYS LEU MET:A:639,invalid,,,,,,
,,,ATP:A:1,valid,Kd,=,0.84,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,Kd,=,0.84,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,5TGK,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,DTP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,2PZF,,,,,,,
,,,ASP PHE SER SER LYS LEU MET GLY:A:639,invalid,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,2PZG,,,,,,,
,,,ATP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:6,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:5,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:7,invalid,,,,,C(C(CO)O)O,
,,,MG:A:3,Part of Protein,,,,,[Mg+2],
,,,MG:B:4,Part of Protein,,,,,[Mg+2],
,,,PRO ASP PHE SER SER LYS LEU MET GLY:A:638,invalid,,,,,,
,Family. Representative Entry is ,6MP7,,,,,,,
,,,NAG:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:A:503,invalid,,,,,[Na+],
,,,FLC:A:502,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,6MOY,,,,,,,
,,,NAG:B:481,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,6MPA,,,,,,,
,,,FLC:B:501,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NAG:B:502,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,1I31,,,,,,,
,,,PHE TYR ARG ALA LEU MET:P:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])Cc1ccccc1)Cc1ccc(O)cc1)CCCNC(=[NH2+])N)C)CC(C)C)C(=O)[O-])C,
,Family. Representative Entry is ,2JKG,,,,,,,
,,,MG:A:1170,Part of Protein,,,,,[Mg+2],
,,,PRO PRO PRO PRO PRO PRO PRO PRO:P:0,valid,,,,,O=C(N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C=O)CCC4)CCC3)CCC2)CCC1)C1N(C(=O)C2N(C(=O)C3N(C(=O)C4[NH2+]CCC4)CCC3)CCC2)CCC1,
,Family. Representative Entry is ,5VYQ,,,,,,,
,,,K:B:307,Part of Protein,,,,,[K+],
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,NA:A:310,Part of Protein,,,,,[Na+],
,,,NA:A:305,Part of Protein,,,,,[Na+],
,,,NA:A:306,Part of Protein,,,,,[Na+],
,,,NA:B:306,Part of Protein,,,,,[Na+],
,,,EP1:B:305,invalid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,,EP1:A:308,invalid,,,,,C1CN(CCN1CCCS(=O)(=O)O)CCO,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,LI:A:311,Part of Protein,,,,,[Li+],
,,,FON:A:301,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H]2CNC3=C(N2C=O)C(=O)N=C(N3)N,
,,,TYD:B:301,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,0FX:A:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,Family. Representative Entry is ,4QO5,,,,,,,
,,,HEC:A:608,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:603,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:604,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:601,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:607,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:602,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:606,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:605,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,CA:A:609,Part of Protein,,,,,[Ca+2],
,,,NAG:A:610,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,4RDL,,,,,,,
,,,NDG FUC GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NDG FUC GAL FUC:D:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,4RDK,,,,,,,
,,,NDG GAL FUC FUC:D:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,,,NDG GAL FUC FUC:C:1,valid,,,,,O(C1C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC(O)C1[NH2+]C(O)C)C1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,1RP0,,,,,,,
,,,AHZ:A:600,valid,,,,,Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,AHZ:B:601,valid,,,,,Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,HTO:A:450,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,ZN:A:500,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7C6B,,,,,,,
,,,K2R:B:601,valid,Kd,=,42,uM,c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O,
,,,K2R:C:601,valid,Kd,=,42,uM,c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O,
,,,K2R:A:601,valid,Kd,=,42,uM,c1cc(cc(c1)c2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)O)O)O)CCC(=O)O,
,,,PO4:C:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3LUH,,,,,,,
,,,5GP:A:3,valid,Kd,=,3.3,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:1,valid,Kd,=,3.3,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:4,valid,Kd,=,3.3,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PO4:C:2,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3LUD,,,,,,,
,,,AMP:A:600,valid,Kd,=,0.26,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:600,valid,Kd,=,0.26,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:600,valid,Kd,=,0.26,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,PO4:A:9,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:10,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:11,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:8,invalid,,,,,[O-]P(=O)([O-])[O-],
,,7D7U,,,,,,,
,,,8BR:A:601,valid,Kd,=,100,uM,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8BR:C:601,valid,Kd,=,100,uM,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,8BR:B:601,valid,Kd,=,100,uM,c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3LUJ,,,,,,,
,,,U5P:A:1,valid,Kd,=,0.12,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:1,valid,Kd,=,0.12,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:1,valid,Kd,=,0.12,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,3QX8,,,,,,,
,,,GTG:A:28,valid,Kd,=,1.37,mM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GTG:B:28,valid,Kd,=,1.37,mM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GTG:C:28,valid,Kd,=,1.37,mM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,3LUG,,,,,,,
,,,C5P:A:10,valid,Kd,=,3.6,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:2,valid,Kd,=,3.6,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:C:9,valid,Kd,=,3.6,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,PO4:A:7,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:4,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:6,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:5,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:8,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3QX9,,,,,,,
,,,ATP:A:1,valid,Kd,=,0.09,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1,valid,Kd,=,0.09,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1,valid,Kd,=,0.09,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3U3Z,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,SEP GLN GLU PTR:B:1,valid,Kd,=,4.4,uM,P(=O)(OCC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCC(=O)[O-])CCC(=O)N)([O-])[O-],
,Family. Representative Entry is ,4LRL,,,,,,,
,,,TTP:D:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TTP:B:503,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O,
,,,TRS:B:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:506,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,NI:C:501,Part of Protein,,,,,[Ni+2],
,,,NI:D:501,Part of Protein,,,,,[Ni+2],
,,,NI:A:501,Part of Protein,,,,,[Ni+2],
,,,NI:B:501,Part of Protein,,,,,[Ni+2],
,,,MLI:B:504,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:503,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,DGT:C:502,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:502,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:502,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:A:502,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,3IRH,,,,,,,
,,,CA:A:457,Part of Protein,,,,,[Ca+2],
,,,CA:B:457,Part of Protein,,,,,[Ca+2],
,,,CA:C:457,Part of Protein,,,,,[Ca+2],
,,,CA:D:457,Part of Protein,,,,,[Ca+2],
,,,DGT:A:458,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:B:458,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:C:458,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DGT:D:458,valid,,,,,c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N,
,,,DTP:B:459,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,,,DTP:D:459,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,4OZJ,,,,,,,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4OZL,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3PXP,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:C:305,invalid,,,,,[Cl-],
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,EDO:A:311,invalid,,,,,C(CO)O,
,,,EDO:A:313,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:B:312,invalid,,,,,C(CO)O,
,,,EDO:B:316,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,EDO:C:314,invalid,,,,,C(CO)O,
,,,EDO:C:315,invalid,,,,,C(CO)O,
,,,MYR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:C:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4AVV,,,,,,,
,,,MAN:G:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:G:8,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,CD:B:1211,invalid,,,,,[Cd+2],
,,,CD:D:6041,invalid,,,,,[Cd+2],
,,,CD:A:1210,invalid,,,,,[Cd+2],
,,,CD:C:1205,invalid,,,,,[Cd+2],
,,,CD:D:6044,invalid,,,,,[Cd+2],
,,,CD:A:1209,invalid,,,,,[Cd+2],
,,,CD:D:6042,invalid,,,,,[Cd+2],
,,,CD:B:1212,invalid,,,,,[Cd+2],
,,,CD:C:1210,invalid,,,,,[Cd+2],
,,,CD:E:1219,invalid,,,,,[Cd+2],
,,,CD:D:6040,invalid,,,,,[Cd+2],
,,,CD:B:1210,valid,,,,,[Cd+2],
,,,CD:C:1212,invalid,,,,,[Cd+2],
,,,CD:E:1218,invalid,,,,,[Cd+2],
,,,CD:E:1217,invalid,,,,,[Cd+2],
,,,CD:C:1208,invalid,,,,,[Cd+2],
,,,CD:A:1212,invalid,,,,,[Cd+2],
,,,CD:E:1209,invalid,,,,,[Cd+2],
,,,CD:B:1214,invalid,,,,,[Cd+2],
,,,CD:A:1218,invalid,,,,,[Cd+2],
,,,CD:E:1208,invalid,,,,,[Cd+2],
,,,CD:E:1216,invalid,,,,,[Cd+2],
,,,CD:C:1211,invalid,,,,,[Cd+2],
,,,CD:B:1216,invalid,,,,,[Cd+2],
,,,CD:A:1211,invalid,,,,,[Cd+2],
,,,CD:E:1211,invalid,,,,,[Cd+2],
,,,CD:E:1212,invalid,,,,,[Cd+2],
,,,CD:C:1206,invalid,,,,,[Cd+2],
,,,CD:D:6043,invalid,,,,,[Cd+2],
,,,CD:A:1216,invalid,,,,,[Cd+2],
,,,CD:A:1219,invalid,,,,,[Cd+2],
,,,CD:B:1215,invalid,,,,,[Cd+2],
,,,CD:B:1209,invalid,,,,,[Cd+2],
,,,CD:A:1213,invalid,,,,,[Cd+2],
,,,CD:E:1210,invalid,,,,,[Cd+2],
,,,NAG:E:1213,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:5,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1214,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:9,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1209,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GHE:A:1207,invalid,Kd,=,0.0088,uM,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,
,,,GHE:E:1207,valid,Kd,=,0.0088,uM,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,
,,,GHE:D:1207,valid,Kd,=,0.0088,uM,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,
,,,GHE:C:1207,valid,Kd,=,0.0088,uM,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,
,,,GHE:B:1207,valid,Kd,=,0.0088,uM,C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]2C(=O)O)C(=O)O,
,,,SIA:G:11,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:G:7,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:1213,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,ACT:E:1214,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1206,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1208,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1215,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1208,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1205,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1206,invalid,,,,,CC(=O)[O-],
,,,GAL:G:10,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:G:6,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BMA:G:3,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,2A3Y,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:602,Part of Protein,,,,,[Ca+2],
,,,CA:B:603,Part of Protein,,,,,[Ca+2],
,,,CA:C:604,Part of Protein,,,,,[Ca+2],
,,,CA:C:605,Part of Protein,,,,,[Ca+2],
,,,CA:D:606,Part of Protein,,,,,[Ca+2],
,,,CA:D:607,Part of Protein,,,,,[Ca+2],
,,,CA:E:608,Part of Protein,,,,,[Ca+2],
,,,CA:E:609,Part of Protein,,,,,[Ca+2],
,,,CPJ:A:610,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:B:611,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:C:612,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:D:614,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:E:613,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,4AYU,,,,,,,
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:C:206,Part of Protein,,,,,[Ca+2],
,,,CA:E:205,Part of Protein,,,,,[Ca+2],
,,,CA:D:205,Part of Protein,,,,,[Ca+2],
,,,CA:C:205,Part of Protein,,,,,[Ca+2],
,,,CA:D:206,Part of Protein,,,,,[Ca+2],
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,CA:E:206,Part of Protein,,,,,[Ca+2],
,,,NAG:B:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:500,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,N8P:E:499,valid,Kd,=,18.6,uM,CC(=O)N1CCC[C@@H]1C(=O)O,
,,,N8P:C:499,valid,Kd,=,18.6,uM,CC(=O)N1CCC[C@@H]1C(=O)O,
,,,N8P:B:499,valid,Kd,=,18.6,uM,CC(=O)N1CCC[C@@H]1C(=O)O,
,,,N8P:D:499,valid,Kd,=,18.6,uM,CC(=O)N1CCC[C@@H]1C(=O)O,
,,,N8P:A:499,valid,Kd,=,18.6,uM,CC(=O)N1CCC[C@@H]1C(=O)O,
,,,GOL:E:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1206,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1205,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1206,invalid,,,,,C(C(CO)O)O,
,,2A3W,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:307,Part of Protein,,,,,[Ca+2],
,,,CA:D:308,Part of Protein,,,,,[Ca+2],
,,,CA:E:309,Part of Protein,,,,,[Ca+2],
,,,CA:E:310,Part of Protein,,,,,[Ca+2],
,,,CA:F:311,Part of Protein,,,,,[Ca+2],
,,,CA:F:312,Part of Protein,,,,,[Ca+2],
,,,CA:G:313,Part of Protein,,,,,[Ca+2],
,,,CA:G:314,Part of Protein,,,,,[Ca+2],
,,,CA:H:315,Part of Protein,,,,,[Ca+2],
,,,CA:H:316,Part of Protein,,,,,[Ca+2],
,,,CA:I:317,Part of Protein,,,,,[Ca+2],
,,,CA:I:318,Part of Protein,,,,,[Ca+2],
,,,CA:J:319,Part of Protein,,,,,[Ca+2],
,,,CA:J:320,Part of Protein,,,,,[Ca+2],
,,,CA:K:321,Part of Protein,,,,,[Ca+2],
,,,CA:K:322,Part of Protein,,,,,[Ca+2],
,,,CA:L:323,Part of Protein,,,,,[Ca+2],
,,,CA:L:324,Part of Protein,,,,,[Ca+2],
,,,CA:M:325,Part of Protein,,,,,[Ca+2],
,,,CA:M:326,Part of Protein,,,,,[Ca+2],
,,,CA:N:327,Part of Protein,,,,,[Ca+2],
,,,CA:N:328,Part of Protein,,,,,[Ca+2],
,,,CA:O:329,Part of Protein,,,,,[Ca+2],
,,,CA:O:330,Part of Protein,,,,,[Ca+2],
,,,CA:P:331,Part of Protein,,,,,[Ca+2],
,,,CA:P:332,Part of Protein,,,,,[Ca+2],
,,,CA:Q:333,Part of Protein,,,,,[Ca+2],
,,,CA:Q:334,Part of Protein,,,,,[Ca+2],
,,,CA:R:335,Part of Protein,,,,,[Ca+2],
,,,CA:R:336,Part of Protein,,,,,[Ca+2],
,,,CA:S:337,Part of Protein,,,,,[Ca+2],
,,,CA:S:338,Part of Protein,,,,,[Ca+2],
,,,CA:T:339,Part of Protein,,,,,[Ca+2],
,,,CA:T:340,Part of Protein,,,,,[Ca+2],
,,,CPJ:A:341,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:B:342,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:C:343,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:D:344,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:E:345,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:L:347,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:M:348,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:N:349,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:P:346,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,,CPJ:Q:350,valid,ic50,=,3.8,uM,CC1(OCC(CO1)OC(=O)NCCNC(=O)OC2COC(OC2)(C)C(=O)O)C(=O)O,
,,1GYK,,,,,,,
,,,CA:A:1205,Part of Protein,,,,,[Ca+2],
,,,CA:A:1206,Part of Protein,,,,,[Ca+2],
,,,CA:B:1205,Part of Protein,,,,,[Ca+2],
,,,CA:B:1206,Part of Protein,,,,,[Ca+2],
,,,CA:C:1205,Part of Protein,,,,,[Ca+2],
,,,CA:C:1206,Part of Protein,,,,,[Ca+2],
,,,CA:D:1205,Part of Protein,,,,,[Ca+2],
,,,CA:D:1206,Part of Protein,,,,,[Ca+2],
,,,CA:E:1205,Part of Protein,,,,,[Ca+2],
,,,CDG:A:1207,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O,
,,,CDG:B:1207,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O,
,,,CDG:C:1207,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O,
,,,CDG:D:1207,valid,,,,,C[C@]1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]([C@@H](O2)OC)O)O)C(=O)O,
,,3KQR,,,,,,,
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,CA:C:205,Part of Protein,,,,,[Ca+2],
,,,CA:C:206,Part of Protein,,,,,[Ca+2],
,,,CA:D:205,Part of Protein,,,,,[Ca+2],
,,,CA:D:206,Part of Protein,,,,,[Ca+2],
,,,CA:E:205,Part of Protein,,,,,[Ca+2],
,,,CA:E:206,Part of Protein,,,,,[Ca+2],
,,,NAG:A:207,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:207,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:207,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:207,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:207,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,OPE:A:700,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:B:1700,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:C:2700,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:D:3700,valid,,,,,C(COP(=O)(O)O)N,
,,,OPE:E:4700,valid,,,,,C(COP(=O)(O)O)N,
,,2W08,,,,,,,
,,,CA:A:205,Part of Protein,,,,,[Ca+2],
,,,CA:A:206,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:B:206,Part of Protein,,,,,[Ca+2],
,,,CA:C:205,Part of Protein,,,,,[Ca+2],
,,,CA:C:206,Part of Protein,,,,,[Ca+2],
,,,CA:D:205,Part of Protein,,,,,[Ca+2],
,,,CA:D:206,Part of Protein,,,,,[Ca+2],
,,,CA:E:205,Part of Protein,,,,,[Ca+2],
,,,CA:E:206,Part of Protein,,,,,[Ca+2],
,,,NAG:A:207,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:207,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:207,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:207,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:207,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TPO:A:500,valid,Kd,=,380,uM,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,TPO:B:500,valid,Kd,=,380,uM,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,TPO:C:500,valid,Kd,=,380,uM,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,TPO:D:500,valid,Kd,=,380,uM,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,TPO:E:500,valid,Kd,=,380,uM,C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,5KLP,,,,,,,
,,,CIT:C:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:402,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:403,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,IHP:B:401,valid,Kd,=,22.7,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:A:401,valid,Kd,=,22.7,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:401,valid,Kd,=,22.7,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,7K6S,,,,,,,
,,,CL:A:3104,invalid,,,,,[Cl-],
,,,EDO:A:3102,invalid,,,,,C(CO)O,
,,,GOL:A:3103,invalid,,,,,C(C(CO)O)O,
,,,VYM:A:3101,valid,,,,,c1cc2c(cc1N)N(CCC2)C(=O)C3CC3,
,,7K6R,,,,,,,
,,,EDO:A:3102,invalid,,,,,C(CO)O,
,,,EDO:A:3103,invalid,,,,,C(CO)O,
,,,9ST:A:3101,valid,,,,,CN1C[C@H](C[C@H](C1)NC2=C(C(=O)N(N=C2)C)Br)c3ccccc3,
,,7KDW,,,,,,,
,,,EDO:A:3102,invalid,,,,,C(CO)O,
,,,WCV:A:3101,valid,,,,,C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4,
,,,WCV:B:3101,valid,,,,,C#CCNc1nccc(n1)Nc2ccc3c(c2)N(CCC3)C(=O)C4CC4,
,,7KDZ,,,,,,,
,,,WCS:A:3102,valid,,,,,CN(C)CCCOc1ccc(cc1)c2cc(nc(n2)S(=O)(=O)C)NCCCn3cccn3,
,,,EDO:A:3101,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6QKJ,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,CL:B:504,invalid,,,,,[Cl-],
,,,CL:A:503,invalid,,,,,[Cl-],
,,,AVJ:B:502,valid,,,,,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,,AVJ:A:502,valid,,,,,C[N+](C)(C)[C@@H](Cc1cnc[nH]1)C(=O)O,
,,,IMD:B:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:506,invalid,,,,,c1c[nH+]c[nH]1,
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:A:505,Part of Protein,,,,,[Fe+3],
,,,FE:B:505,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,3R5Z,,,,,,,
,,,F42:A:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:201,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VV1,,,,,,,
,,,MG:B:203,invalid,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:B:204,invalid,,,,,[Mg+2],
,,,FUC GAL:D:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(O)C(O)C(O)C(CO)O1,
,,,FUC GAL:C:1,valid,,,,,O(C1C(O)C(O)C(O)OC1C)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,6MJF,,,,,,,
,,,SAH:C:500,valid,Kd,=,6.88,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:500,valid,Kd,=,6.88,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:F:500,valid,Kd,=,6.88,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:500,valid,Kd,=,6.88,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:500,valid,Kd,=,6.88,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6MJG,,,,,,,
,,,SAH:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5VX9,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GAL NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,5DQY,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,BEZ:A:401,valid,,,,,c1ccc(cc1)C(=O)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4GOJ,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5IUY,,,,,,,
,,,PLM:A:501,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:502,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:502,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:501,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:501,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,BOG:C:503,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:503,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:504,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CL:A:503,invalid,,,,,[Cl-],
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,5NSW,,,,,,,
,,,PLM:C:503,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:505,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:504,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:501,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:502,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:502,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,XE:C:508,invalid,,,,,[Xe],
,,,XE:A:503,invalid,,,,,[Xe],
,,,XE:B:503,invalid,,,,,[Xe],
,,,XE:A:507,invalid,,,,,[Xe],
,,,XE:A:504,invalid,,,,,[Xe],
,,,XE:C:506,invalid,,,,,[Xe],
,,,XE:B:507,invalid,,,,,[Xe],
,,,XE:A:506,invalid,,,,,[Xe],
,,,XE:B:508,invalid,,,,,[Xe],
,,,XE:C:507,invalid,,,,,[Xe],
,,,XE:C:501,invalid,,,,,[Xe],
,,,XE:C:505,invalid,,,,,[Xe],
,,,XE:A:508,invalid,,,,,[Xe],
,,,XE:B:501,invalid,,,,,[Xe],
,,,XE:A:505,invalid,,,,,[Xe],
,,,XE:B:502,invalid,,,,,[Xe],
,,,XE:B:506,invalid,,,,,[Xe],
,,,NA:A:510,Part of Protein,,,,,[Na+],
,,,NI:C:504,Part of Protein,,,,,[Ni+2],
,,,BOG:B:510,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:509,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:C:509,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:B:509,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,6W7F,,,,,,,
,,,Q3D:A:502,valid,ic50,=,0.2,nM,CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6,
,,,Q3D:A:501,valid,ic50,=,0.2,nM,CS(=O)(=O)c1c2c(cnc(n2cn1)NCc3c(ccc4c3CCO4)F)c5ccc(nc5)C6CC6,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,6W7G,,,,,,,
,,,Q3A:A:502,valid,ic50,=,0.5,nM,Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F,
,,,Q3A:A:503,valid,ic50,=,0.5,nM,Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F,
,,,Q3A:A:501,valid,ic50,=,0.5,nM,Cc1ccc(c(n1)C)c2cnc(n3c2c(nc3)S(=O)(=O)C)NCc4c(ccc5c4CCO5)F,
,,,NA:A:504,Part of Protein,,,,,[Na+],
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,5U8A,,,,,,,
,,,82D:A:501,valid,Ki,=,13,nM,Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4c(cccc4Br)F,
,,5TTW,,,,,,,
,,,UNX:A:511,invalid,,,,,*,
,,,UNX:A:505,invalid,,,,,*,
,,,UNX:A:508,invalid,,,,,*,
,,,UNX:C:510,invalid,,,,,*,
,,,UNX:A:504,invalid,,,,,*,
,,,UNX:C:507,invalid,,,,,*,
,,,UNX:A:510,invalid,,,,,*,
,,,UNX:C:508,invalid,,,,,*,
,,,UNX:C:509,invalid,,,,,*,
,,,UNX:A:502,invalid,,,,,*,
,,,UNX:C:506,invalid,,,,,*,
,,,UNX:C:505,invalid,,,,,*,
,,,UNX:A:503,invalid,,,,,*,
,,,UNX:A:509,invalid,,,,,*,
,,,UNX:C:502,invalid,,,,,*,
,,,UNX:A:506,invalid,,,,,*,
,,,UNX UNX:C:503,invalid,,,,,,
,,,UNX UNX:A:507,invalid,,,,,,
,,,UNX UNX:D:101,invalid,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PRO SER M3L PHE NLW:D:1,valid,Kd,=,1.09,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)Cc1ccccc1)CCCC[N+](C)(C)C)C(NC(=O)C1[NH2+]CCC1)CO,
,,,PRO SER M3L PHE NLW:B:1,valid,Kd,=,1.09,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)N)CC(C)C)Cc1ccccc1)CCCC[N+](C)(C)C)C(NC(=O)C1[NH2+]CCC1)CO,
,,5U69,,,,,,,
,,,LQD:A:501,valid,Ki,=,600,nM,Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)Cc4ccccc4OC,
,,5U5H,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,7VV:A:501,valid,ic50,=,1.3,uM,CC(C)c1c2n(c(n1)N)C[C@@H](CC2)Cc3cc(ccc3F)OC,
,,3JZG,,,,,,,
,,,ALA ARG M3L SER:B:25,valid,,,,,O=C(NC(C(=O)NC(C=O)CO)CCCC[N+](C)(C)C)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N,
,,5U8F,,,,,,,
,,,82G:A:501,valid,Ki,=,11,nM,Cn1cc(c2c1cccc2)[C@H]3CN(C[C@@H]3N(C)C)[C@H]4CCc5c4c(ccc5)F,
,,5H13,,,,,,,
,,,PR:A:502,invalid,,,,,[Pr+3],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,LQA:A:503,valid,ic50,=,11.58,uM,[H]/N=C1/C(=C(C=C2N1CCc3c2cc4c(c3)OCO4)c5ccc(c(c5)OC)OC(C)C)C#N,
,,5U5K,,,,,,,
,,,7VY:A:502,valid,ic50,=,95,uM,COc1cccc(c1)C[C@H]2CCCNC2,
,,,FMT:A:501,invalid,,,,,C(=O)O,
,,5U6D,,,,,,,
,,,7XG:A:501,valid,Ki,=,2.6,nM,Cc1cccc(c1CN2C[C@@H]([C@H](C2)N(C)C)c3ccc(cc3)c4cnn(c4)CC(=O)N)F,
,,6SFB,,,,,,,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,L9K:A:501,valid,,,,,CS(=O)(=O)c1ccc(cc1)C2=CN/C(=NCc3cccc4c3cco4)/n5c2nnc5,
,,,L9K:B:502,valid,,,,,CS(=O)(=O)c1ccc(cc1)C2=CN/C(=NCc3cccc4c3cco4)/n5c2nnc5,
,,6SFC,,,,,,,
,,,L9T:B:501,valid,Kd,=,5.2,uM,Cc1c(sc(n1)NCc2cccc3c2OCO3)c4ccn(n4)C,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,L9W:A:503,valid,,,,,CS(=O)(=O)c1ccc(cc1)c2cnc(n3c2nnc3)NCc4cccc5c4CCO5,
,,3JZH,,,,,,,
,,,ASP PHE M3L THR ASP:B:77,valid,,,,,O=C(NC(C=O)CC(=O)[O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1ccccc1)CCCC[N+](C)(C)C)C(O)C,
,,3K27,,,,,,,
,,,LYS GLN THR ALA ARG M3L SER THR GLY:B:6,valid,,,,,O=C(NCC=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(O)C)C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO)C(O)C,
,Family. Representative Entry is ,2JLB,,,,,,,
,,,CL:B:1571,invalid,,,,,[Cl-],
,,,MN:A:1570,Part of Protein,,,,,[Mn+2],
,,,MN:B:1570,Part of Protein,,,,,[Mn+2],
,,,UDM:A:1569,valid,Kd,=,4.2,uM,CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,,UDM:B:1569,valid,Kd,=,4.2,uM,CC(=O)N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O)CO)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O,
,,2XGS,,,,,,,
,,,44P:A:1569,valid,Kd,=,0.53,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O,
,,,44P:B:1569,valid,Kd,=,0.53,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(CP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,1MWW,,,,,,,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,GLU:C:402,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4ZEV,,,,,,,
,,,M6P:A:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4ZEW,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,G6P:A:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4ZEX,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,G3H:A:302,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6J19,,,,,,,
,,,ATP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3M7S,,,,,,,
,,,ACT:A:275,invalid,,,,,CC(=O)[O-],
,,,PO4:A:273,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,7BQK,,,,,,,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,F56:A:501,valid,,,,,C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O,
,,,F56:B:501,valid,,,,,C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O,
,,7BQL,,,,,,,
,,,F5F:A:501,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C,
,,,F5F:B:501,valid,,,,,C[C@@H]1C[C@@H]([C@H]([C@@H](C1)C=C)C2=C(C=CNC2=O)O)C,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3P3Z,,,,,,,
,,,CL:A:409,invalid,,,,,[Cl-],
,,,CL:A:410,invalid,,,,,[Cl-],
,,,CL:A:411,invalid,,,,,[Cl-],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P3Z:A:502,valid,,,,,COc1ccc(cc1)[C@](c2cncnc2)(C3CC3)O,
,Family. Representative Entry is ,3LL2,,,,,,,
,,,EDO:A:130,invalid,,,,,C(CO)O,
,,,EDO:A:131,invalid,,,,,C(CO)O,
,,,EDO:A:132,invalid,,,,,C(CO)O,
,,,EDO:A:133,invalid,,,,,C(CO)O,
,,,EDO:A:134,invalid,,,,,C(CO)O,
,,,EDO:A:135,invalid,,,,,C(CO)O,
,,,EDO:A:137,invalid,,,,,C(CO)O,
,,,MAN MAN MAN MAN MAN MAN MAN MAN:B:1,valid,Kd,=,0.51,uM,O(CC1C(O)C(OC2C(OC3C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(OC2C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C2C(OC3C(O)C(O)C(O)C(CO)O3)[O+]12,
,,,PEG:A:136,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4B2G,,,,,,,
,,,MLI:A:1598,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:1599,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1597,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:1598,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,V1N:A:1600,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,,,V1N:B:1600,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCOP(=O)(O)O[C@H]3[C@@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O,
,Family. Representative Entry is ,5XFH,,,,,,,
,,,BMA MAN MAN NAG GAL NAG:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)OC(COC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C1O)C,
,Family. Representative Entry is ,5LEF,,,,,,,
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,,,IPA:B:205,invalid,,,,,CC(C)O,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GTP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6HTO,,,,,,,
,,,5AD:B:503,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:503,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:A:508,invalid,,,,,[Cl-],
,,,CL:A:510,invalid,,,,,[Cl-],
,,,CL:A:512,invalid,,,,,[Cl-],
,,,CL:A:509,invalid,,,,,[Cl-],
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:B:507,invalid,,,,,[Cl-],
,,,CL:A:511,invalid,,,,,[Cl-],
,,,CL:A:506,invalid,,,,,[Cl-],
,,,CL:B:508,invalid,,,,,[Cl-],
,,,CL:A:507,invalid,,,,,[Cl-],
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MET:B:502,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:502,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,4R33,,,,,,,
,,,TRP:A:503,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:B:503,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,K:B:508,Part of Protein,,,,,[K+],
,,,K:A:505,Part of Protein,,,,,[K+],
,,,NA:B:507,Part of Protein,,,,,[Na+],
,,,CL:B:510,invalid,,,,,[Cl-],
,,,CL:B:509,invalid,,,,,[Cl-],
,,,SF4:B:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6HTK,,,,,,,
,,,SAH:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,NA:A:507,Part of Protein,,,,,[Na+],
,,,NA:B:511,Part of Protein,,,,,[Na+],
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MET:B:503,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:509,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,K:B:513,Part of Protein,,,,,[K+],
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,BR:A:506,invalid,,,,,[Br-],
,,,BR:B:512,invalid,,,,,[Br-],
,,,BR:A:504,invalid,,,,,[Br-],
,,,BR:B:509,invalid,,,,,[Br-],
,,,BR:B:510,invalid,,,,,[Br-],
,,,BR:A:505,invalid,,,,,[Br-],
,,,ICB:B:505,valid,,,,,c1ccc2c(c1)cc([nH]2)C(=O)O,
,,,ICB:A:511,valid,,,,,c1ccc2c(c1)cc([nH]2)C(=O)O,
,,,5AD:B:504,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:510,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,4R34,,,,,,,
,,,BR:B:510,invalid,,,,,[Br-],
,,,BR:B:509,invalid,,,,,[Br-],
,,,BR:A:507,invalid,,,,,[Br-],
,,,BR:B:514,invalid,,,,,[Br-],
,,,BR:A:508,invalid,,,,,[Br-],
,,,BR:A:509,invalid,,,,,[Br-],
,,,BR:B:511,invalid,,,,,[Br-],
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,SAH:B:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,NA:A:510,Part of Protein,,,,,[Na+],
,,,NA:B:512,Part of Protein,,,,,[Na+],
,,,5AD:A:502,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:B:502,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SF4:A:504,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:504,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,ZN:B:513,Part of Protein,,,,,[Zn+2],
,,,TRP:B:505,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,TRP:A:505,valid,,,,,c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N,
,,,MET:A:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:501,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,6HTM,,,,,,,
,,,BR:A:2507,invalid,,,,,[Br-],
,,,BR:A:2508,invalid,,,,,[Br-],
,,,BR:B:509,invalid,,,,,[Br-],
,,,BR:B:510,invalid,,,,,[Br-],
,,,BR:B:511,invalid,,,,,[Br-],
,,,BR:A:2509,invalid,,,,,[Br-],
,,,CL:A:2510,invalid,,,,,[Cl-],
,,,CL:B:514,invalid,,,,,[Cl-],
,,,CL:A:2511,invalid,,,,,[Cl-],
,,,CL:B:513,invalid,,,,,[Cl-],
,,,CL:B:512,invalid,,,,,[Cl-],
,,,SF4:A:2502,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:501,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MET:B:503,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:2503,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,GOL:A:2505,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:508,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,TSS:A:2501,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,,TSS:B:502,valid,,,,,c1ccc2c(c1)c(c[nH]2)CCN,
,,,5AD:B:504,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:2504,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:B:515,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4LO6,,,,,,,
,,,CL:B:703,invalid,,,,,[Cl-],
,,,GAL SIA:C:1,valid,Kd,~,0.5,mM,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4B8V,,,,,,,
,,,NDG NAG NAG NAG:C:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NAG:A:1198,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,4B9H,,,,,,,
,,,NDG NAG NAG NAG:C:1,valid,,,,,O(C1C(O)C([NH2+]C(O)C)C(OC2C(O)C([NH2+]C(O)C)C(O)OC2CO)OC1CO)C1C([NH2+]C(O)C)C(O)C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(CO)O1,
,,,NAG:A:1198,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,I3C:A:1203,invalid,,,,,c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3VSE,,,,,,,
,,,SAH:C:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3R96,,,,,,,
,,,ACO:A:400,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:400,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,AMP:A:500,valid,Kd,=,1.03,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:500,valid,Kd,=,1.03,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,3R95,,,,,,,
,,,ACO:A:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:601,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3R9E,,,,,,,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,DSZ:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,,,DSZ:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CC(=O)O)N)O)O)N,
,,3R9G,,,,,,,
,,,7MC:A:500,valid,,,,,CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,7MC:B:500,valid,,,,,CC(=O)N[C@@H](CC(=O)O)C(=O)N[P@@](=O)(OCCCN)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,COA:A:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:400,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,3R9F,,,,,,,
,,,COA:A:400,Part of Protein,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:400,Part of Protein,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,GSU:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N,
,,,GSU:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N,
,Family. Representative Entry is ,6QIP,,,,,,,
,,,CYS:B:301,invalid,,,,,C([C@@H](C(=O)O)N)S,
,,,MES:A:601,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,HDW:A:602,valid,,,,,C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O,
,Family. Representative Entry is ,3N1S,,,,,,,
,,,5GP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:E:203,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:I:205,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:J:204,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:M:207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:N:206,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,EDO:A:120,invalid,,,,,C(CO)O,
,,,EDO:A:121,invalid,,,,,C(CO)O,
,,,EDO:A:122,invalid,,,,,C(CO)O,
,,,EDO:B:120,invalid,,,,,C(CO)O,
,,,EDO:B:121,invalid,,,,,C(CO)O,
,,,EDO:B:122,invalid,,,,,C(CO)O,
,,,EDO:B:123,invalid,,,,,C(CO)O,
,,,EDO:B:124,invalid,,,,,C(CO)O,
,,,EDO:B:125,invalid,,,,,C(CO)O,
,,,EDO:E:120,invalid,,,,,C(CO)O,
,,,EDO:F:120,invalid,,,,,C(CO)O,
,,,EDO:I:120,invalid,,,,,C(CO)O,
,,,EDO:I:121,invalid,,,,,C(CO)O,
,,,EDO:I:122,invalid,,,,,C(CO)O,
,,,EDO:I:123,invalid,,,,,C(CO)O,
,,,EDO:J:120,invalid,,,,,C(CO)O,
,,,EDO:J:121,invalid,,,,,C(CO)O,
,,,EDO:M:120,invalid,,,,,C(CO)O,
,,,EDO:M:121,invalid,,,,,C(CO)O,
,,,EDO:N:120,invalid,,,,,C(CO)O,
,,,EDO:N:121,invalid,,,,,C(CO)O,
,,,EDO:N:122,invalid,,,,,C(CO)O,
,,,EDO:N:123,invalid,,,,,C(CO)O,
,,,EDO:N:124,invalid,,,,,C(CO)O,
,,,EDO:N:125,invalid,,,,,C(CO)O,
,,3N1T,,,,,,,
,,,5GP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:E:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,5GP:F:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6J7L,,,,,,,
,,,TYD:A:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MES:A:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6J7K,,,,,,,
,,,TRH:A:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,MES:A:402,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,3CQO,,,,,,,
,,,CA:A:4001,Part of Protein,,,,,[Ca+2],
,,,CA:A:4004,Part of Protein,,,,,[Ca+2],
,,,CA:B:4002,Part of Protein,,,,,[Ca+2],
,,,CA:B:4006,Part of Protein,,,,,[Ca+2],
,,,CA:C:4003,Part of Protein,,,,,[Ca+2],
,,,CA:C:4005,Part of Protein,,,,,[Ca+2],
,,,CL:A:5001,invalid,,,,,[Cl-],
,,,CL:A:5002,invalid,,,,,[Cl-],
,,,CL:A:5003,invalid,,,,,[Cl-],
,,,FUC:A:1294,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:A:1295,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:2294,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:2295,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:3294,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:C:3295,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,Family. Representative Entry is ,4M5S,,,,,,,
,,,GLY GLU ARG THR ILE PRO ILE THR ARG GLU:B:155,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CCC(=O)[O-])CCCNC(=[NH2+])N)C(O)C)C(CC)C)CCC1)C(CC)C)C(O)C)CCCNC(=[NH2+])N)CC,
,,,SIN:A:201,invalid,,,,,C(CC(=O)O)C(=O)O,
,,4M5T,,,,,,,
,,,GLU ARG THR ILE PRO ILE THR ARG GLU:H:156,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C(O)C)C(CC)C)CCC1)C(CC)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,GLU ARG THR ILE PRO ILE THR ARG GLU:F:156,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C(O)C)C(CC)C)CCC1)C(CC)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,GLU ARG THR ILE PRO ILE THR ARG GLU:B:156,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C(O)C)C(CC)C)CCC1)C(CC)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,GLU ARG THR ILE PRO ILE THR ARG GLU:D:156,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)C(O)C)C(CC)C)CCC1)C(CC)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KMS,,,,,,,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:A:602,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4NWZ,,,,,,,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5WED,,,,,,,
,,,FAD:B:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:C:601,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4P42,,,,,,,
,,,EGC:B:701,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,EGC:A:701,invalid,,,,,CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PEE:B:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:A:702,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,Family. Representative Entry is ,6E4P,,,,,,,
,,,U   U   U   U  :K:1,valid,,,,,,
,,,U   U   U   U  :J:1,valid,,,,,,
,Family. Representative Entry is ,2BRY,,,,,,,
,,,CL:A:1490,invalid,,,,,[Cl-],
,,,CL:B:1490,invalid,,,,,[Cl-],
,,,FAD:A:1493,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1492,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:1491,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1492,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1491,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2BRA,,,,,,,
,,,CL:B:1486,invalid,,,,,[Cl-],
,,,FAD:A:1485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1485,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6BN0,,,,,,,
,,,CL:A:208,invalid,,,,,[Cl-],
,,,CL:A:207,invalid,,,,,[Cl-],
,,,NAG NAG NAG NAG NAG NAG:E:1,valid,Kd,=,6.73,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:G:1,valid,Kd,=,6.73,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:F:1,valid,Kd,=,6.73,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:H:1,valid,Kd,=,6.73,uM,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,Family. Representative Entry is ,5KXE,,,,,,,
,,,PO4:A:309,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:310,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:312,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:311,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,6Y2:B:308,valid,Kd,=,5.45,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:C:303,valid,Kd,=,5.45,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:A:306,valid,Kd,=,5.45,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:D:303,valid,Kd,=,5.45,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,CA:D:305,Part of Protein,,,,,[Ca+2],
,,,CA:C:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:B:310,Part of Protein,,,,,[Ca+2],
,,,MN:B:309,Part of Protein,,,,,[Mn+2],
,,,MN:C:304,Part of Protein,,,,,[Mn+2],
,,,MN:A:307,Part of Protein,,,,,[Mn+2],
,,,MN:D:304,Part of Protein,,,,,[Mn+2],
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:H:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,SO4:B:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG FUC NAG BMA MAN:E:1,invalid,,,,,,
,,,NAG FUC NAG BMA XYP MAN MAN:F:1,invalid,,,,,,
,,5KXB,,,,,,,
,,,NAG FUC NAG BMA XYP MAN:E:1,invalid,,,,,,
,,,CA:B:306,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:308,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,MN:D:303,Part of Protein,,,,,[Mn+2],
,,,MN:B:307,Part of Protein,,,,,[Mn+2],
,,,MN:A:309,Part of Protein,,,,,[Mn+2],
,,,MN:C:307,Part of Protein,,,,,[Mn+2],
,,,NAG FUC NAG BMA:G:1,invalid,,,,,,
,,,NAG FUC NAG BMA:F:1,invalid,,,,,,
,,,NGA:A:307,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:305,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:301,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:C:305,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,5KXC,,,,,,,
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:C:306,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,6Y2:C:305,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:B:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:D:302,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:A:303,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA:F:1,invalid,,,,,,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,MN:C:307,Part of Protein,,,,,[Mn+2],
,,,MN:A:305,Part of Protein,,,,,[Mn+2],
,,,MN:D:304,Part of Protein,,,,,[Mn+2],
,,,MN:B:304,Part of Protein,,,,,[Mn+2],
,,5KXD,,,,,,,
,,,CA:C:308,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ACT:D:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:311,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:D:306,invalid,,,,,CC(=O)[O-],
,,,ACT:C:310,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,NAG FUC NAG BMA XYP MAN MAN:F:1,invalid,,,,,,
,,,NAG:B:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC:E:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,NAG FUC:G:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,6Y2:B:305,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:C:312,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:D:307,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,6Y2:A:306,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[O-])CO)CO)O)O,
,,,MN:A:304,Part of Protein,,,,,[Mn+2],
,,,MN:D:304,Part of Protein,,,,,[Mn+2],
,,,MN:C:309,Part of Protein,,,,,[Mn+2],
,,,MN:B:303,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,2J9C,,,,,,,
,,,ACT:A:1121,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1122,invalid,,,,,CC(=O)[O-],
,,,ACT:C:1120,invalid,,,,,CC(=O)[O-],
,,,ATP:C:1116,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1116,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1116,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1117,invalid,,,,,[Mg+2],
,,,MG:B:1117,invalid,,,,,[Mg+2],
,,,MG:C:1117,invalid,,,,,[Mg+2],
,,,CL:A:1118,invalid,,,,,[Cl-],
,,,CL:A:1119,invalid,,,,,[Cl-],
,,,CL:B:1118,invalid,,,,,[Cl-],
,,,CL:C:1118,invalid,,,,,[Cl-],
,,,EDO:A:1120,invalid,,,,,C(CO)O,
,,,EDO:B:1119,invalid,,,,,C(CO)O,
,,,EDO:B:1120,invalid,,,,,C(CO)O,
,,,EDO:C:1119,invalid,,,,,C(CO)O,
,,2J9E,,,,,,,
,,,ACT:A:1116,invalid,,,,,CC(=O)[O-],
,,,AKG:C:1119,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ATP:A:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1118,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1117,invalid,,,,,[Cl-],
,,,CL:A:1118,invalid,,,,,[Cl-],
,,,CL:C:1117,invalid,,,,,[Cl-],
,,,CL:C:1118,invalid,,,,,[Cl-],
,,,MG:C:1116,invalid,,,,,[Mg+2],
,,,NA:B:1119,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2WR8,,,,,,,
,,,SAH:A:1257,valid,Ki,=,3.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5DUB,,,,,,,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:305,invalid,,,,,C(CO)O,
,,,EDO:H:302,invalid,,,,,C(CO)O,
,,,EDO:H:301,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:H:304,invalid,,,,,C(CO)O,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:H:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,SO4:H:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:309,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GLY 5GG GLY ALA:P:3,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)C[NH3+])CCCC[NH2+]CCCC[NH3+],
,Family. Representative Entry is ,3GWZ,,,,,,,
,,,CA:A:350,Part of Protein,,,,,[Ca+2],
,,,CA:D:350,Part of Protein,,,,,[Ca+2],
,,,CA:D:351,Part of Protein,,,,,[Ca+2],
,,,CA:D:352,Part of Protein,,,,,[Ca+2],
,,,MPD:A:351,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:350,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:350,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:353,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,SAH:A:352,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:351,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:354,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,4RYV,,,,,,,
,,,ZEA:A:204,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:203,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:205,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:202,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,ZEA:A:201,valid,,,,,C/C(=CCNc1c2c([nH]cn2)ncn1)/CO,
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5EB3,,,,,,,
,,,UEG:A:202,valid,Kd,=,35.2,mM,Cc1c(c(c(cn1)CO)CO)O,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6MFL,,,,,,,
,,,OPV:A:403,valid,Kd,=,160,nM,C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O,
,,,OPV:B:402,valid,Kd,=,160,nM,C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O,
,,,OPV:B:403,valid,Kd,=,160,nM,C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O,
,,,OPV:A:402,valid,Kd,=,160,nM,C[C@H]1[C@@H](C(=O)N(O1)CCc2c[nH]cn2)NC(=O)c3cccc(c3O)O,
,,,FE:B:401,invalid,,,,,[Fe+3],
,,,FE:A:401,invalid,,,,,[Fe+3],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6JD5,,,,,,,
,,,ATP:B:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1402,Part of Protein,,,,,[Mg+2],
,,,MG:B:1402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6Q4Z,,,,,,,
,,,MAN BMA:D:1,valid,,,,,,
,,,MAN BMA:C:1,valid,,,,,,
,,6Q4Y,,,,,,,
,,,MAN:A:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:402,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,BMA:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,7BRN,,,,,,,
,,,ALE:A:201,valid,,,,,CNC[C@@H](c1ccc(c(c1)O)O)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,2FF3,,,,,,,
,,,ATP:B:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:701,Part of Protein,,,,,[Ca+2],
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4JLV,,,,,,,
,,,MG:A:1302,invalid,,,,,[Mg+2],
,,,ADP:A:1301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5KBE,,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,IPH:B:302,valid,Kd,=,0.46,uM,c1ccc(cc1)O,
,,,IPH:A:602,valid,Kd,=,0.46,uM,c1ccc(cc1)O,
,Family. Representative Entry is ,3GZ8,,,,,,,
,,,APR:A:302,valid,Kd,=,17.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:302,valid,Kd,=,17.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:C:302,valid,Kd,=,17.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:D:302,valid,Kd,=,17.9,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,3X1Z,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,3X1Y,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,CD:A:204,invalid,,,,,[Cd+2],
,,3X1W,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,3X1X,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,CD:A:203,invalid,,,,,[Cd+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3UST,,,,,,,
,,,FAD:A:266,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,4XW2,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,SIM:A:402,valid,,,,,CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)C,
,Family. Representative Entry is ,3VMF,,,,,,,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5KTI,,,,,,,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,PGE:A:306,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC 6X6:B:1,valid,,,,,O(C(O)c1c(OC)c(OC)ccc1)CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)O1,
,,5KTH,,,,,,,
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,PGE:A:307,invalid,,,,,C(COCCOCCO)O,
,,,GLC GLC 6X7 6X7:B:1,valid,,,,,O=C(OCC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)C(COC(=O)c3c(O)cc(O)cc3C)O2)O1)c1c(O)cc(O)cc1C,
,Family. Representative Entry is ,6UBB,,,,,,,
,,,BGC BGC:M:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:R:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:L:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:S:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:P:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:Q:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:T:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:K:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:N:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:O:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,6UBA,,,,,,,
,,,BGC BGC BGC:M:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:K:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:A:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:C:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:Y:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:O:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:U:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:W:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:Q:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC:X:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:Z:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:R:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:S:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:V:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:B:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:L:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:P:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:T:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:D:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC BGC:N:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,Family. Representative Entry is ,3A3B,,,,,,,
,,,FMN:B:191,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,RBF:A:191,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,3A3G,,,,,,,
,,,DLZ:A:191,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,,DLZ:B:191,valid,,,,,CC1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)C,
,,3A35,,,,,,,
,,,RBF:A:191,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,RBF:B:191,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,5URY,,,,,,,
,,,NAG FUC FUC FUC:C:1,invalid,,,,,,
,,,PAM:B:201,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,PAM:A:205,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,5URZ,,,,,,,
,,,NAG FUC FUC:C:1,invalid,,,,,,
,,,BOG:B:201,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,Family. Representative Entry is ,3RYC,,,,,,,
,,,GDP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:C:601,invalid,,,,,[Mg+2],
,,,MG:D:601,invalid,,,,,[Mg+2],
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3RYI,,,,,,,
,,,GDP:B:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:600,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:455,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:452,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:453,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:456,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:457,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:146,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:601,invalid,,,,,[Mg+2],
,,,MG:C:601,invalid,,,,,[Mg+2],
,,6TDE,,,,,,,
,,,SO4:C:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,N3Z:B:504,valid,,,,,CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC,
,,,N3Z:D:505,valid,,,,,CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc4c(c3)C(=C)CO4)OC)OC)OC,
,,,MG:C:505,invalid,,,,,[Mg+2],
,,,MG:A:503,invalid,,,,,[Mg+2],
,,,GTP:C:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:503,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:504,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5OF1,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,SAL:A:301,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:B:301,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,Family. Representative Entry is ,3NNF,,,,,,,
,,,AKG:A:500,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,CL:A:321,invalid,,,,,[Cl-],
,,,FE:A:600,Part of Protein,,,,,[Fe+3],
,,,FMT:A:750,invalid,,,,,C(=O)O,
,,,FMT:A:751,invalid,,,,,C(=O)O,
,,,FMT:A:752,invalid,,,,,C(=O)O,
,,,FMT:A:753,invalid,,,,,C(=O)O,
,,,FMT:A:754,invalid,,,,,C(=O)O,
,,,FMT:A:755,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,3EWA,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,3EW9,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,K:A:503,Part of Protein,,,,,[K+],
,,,K:A:504,Part of Protein,,,,,[K+],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,3ETL,,,,,,,
,,,ANP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3AJ4,,,,,,,
,,,EDO:A:112,invalid,,,,,C(CO)O,
,,,EDO:B:111,invalid,,,,,C(CO)O,
,,,EDO:B:112,invalid,,,,,C(CO)O,
,,,SEP:A:111,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,2J9D,,,,,,,
,,,ACT:A:1116,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1117,invalid,,,,,CC(=O)[O-],
,,,ACT:E:1116,invalid,,,,,CC(=O)[O-],
,,,ACT:H:1113,invalid,,,,,CC(=O)[O-],
,,,ACT:J:1116,invalid,,,,,CC(=O)[O-],
,,,ADP:B:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:1114,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AMP:E:1115,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:J:1114,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4NTO,,,,,,,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,,,1PW:C:302,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,,1PW:B:302,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,,1PW:C:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,,1PW:B:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,,1PW:A:302,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,,1PW:A:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O,
,,4NT2,,,,,,,
,,,SPU:A:301,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,,SPU:A:302,valid,,,,,CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)N)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,3ERR,,,,,,,
,,,AMP:A:1507,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1508,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2P39,,,,,,,
,,,GU4 YYJ:B:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,6NCO,,,,,,,
,,,KQP:A:201,valid,Kd,=,30,uM,[H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3)C(C)(C)O)N,
,,6NCN,,,,,,,
,,,KJM:A:201,valid,Kd,=,900,uM,[H]/N=C(C1(CCC1)c2cccc(c2)Cl)/N,
,Family. Representative Entry is ,6EBQ,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5K5Z,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:D:702,Part of Protein,,,,,[Mg+2],
,,,ANP:A:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:701,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,6CS9,,,,,,,
,,,PIO:A:101,valid,ic50,=,2.2,uM,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,,PIO:B:101,valid,ic50,=,2.2,uM,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,Family. Representative Entry is ,5XNA,,,,,,,
,,,ZN:B:203,Part of Protein,,,,,[Zn+2],
,,,ZN:B:204,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,ZN:B:201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,EDO:A:208,invalid,,,,,C(CO)O,
,,,EDO:B:211,invalid,,,,,C(CO)O,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:B:208,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:209,invalid,,,,,C(CO)O,
,,,EDO:B:210,invalid,,,,,C(CO)O,
,,,EDO:A:210,invalid,,,,,C(CO)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:A:209,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,CL:A:212,invalid,,,,,[Cl-],
,,,CL:B:212,invalid,,,,,[Cl-],
,,,ACY:B:213,invalid,,,,,CC(=O)O,
,,,SHV:A:213,valid,,,,,CCCCCCC(=O)O,
,Family. Representative Entry is ,4KGM,,,,,,,
,,,ATP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:304,Part of Protein,,,,,[Mg+2],
,,,MG:D:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:D:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6M90,,,,,,,
,,,J91:A:601,valid,,,,,c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F,
,,,J91:A:602,valid,,,,,c1ccc(c(c1)Oc2c(cccc2NC(=O)C3=CC=C(NC3=O)C(F)(F)F)C(=O)O)F,
,,,PO4:A:603,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6M93,,,,,,,
,,,J8Y:A:601,valid,,,,,c1cc(cc(c1)NC(=O)C2=CC=C(NC2=O)C(F)(F)F)c3[nH]nnn3,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6M92,,,,,,,
,,,J8V:A:601,valid,,,,,c1ccc(cc1)OC2=C(C(=O)NC(=C2)C(F)(F)F)C(=O)Nc3cccc(c3)C(=O)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6M91,,,,,,,
,,,CL:C:101,invalid,,,,,[Cl-],
,,,J97:A:601,valid,,,,,c1cc(cc(c1)NC(=O)C2=C(C=C(NC2=O)C(F)(F)F)Sc3c(cccc3Cl)Cl)C(=O)O,
,,,PO4:A:602,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5A7C,,,,,,,
,,,5D4:A:500,valid,ic50,=,0.00018,M,CC(=O)NCCCCCCNC(=O)C,
,,,5D4:D:500,valid,ic50,=,0.00018,M,CC(=O)NCCCCCCNC(=O)C,
,,,5D4:C:500,valid,ic50,=,0.00018,M,CC(=O)NCCCCCCNC(=O)C,
,,,5D4:B:500,valid,ic50,=,0.00018,M,CC(=O)NCCCCCCNC(=O)C,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:C:501,invalid,,,,,C(CO)O,
,,,EDO:D:501,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,4USI,,,,,,,
,,,MG:A:1151,Part of Protein,,,,,[Mg+2],
,,,MG:B:1151,Part of Protein,,,,,[Mg+2],
,,,SO4:C:1152,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ATP:A:1152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1152,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,AKG:B:1153,valid,Kd,=,38.9,uM,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:1153,valid,Kd,=,38.9,uM,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,3UYW,,,,,,,
,,,TAU:A:1,valid,,,,,C(CS(=O)(=O)O)N,
,,,TAU:C:1,valid,,,,,C(CS(=O)(=O)O)N,
,Family. Representative Entry is ,3O01,,,,,,,
,,,DXC:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NI:A:1,Part of Protein,,,,,[Ni+2],
,,3O02,,,,,,,
,,,JN3:B:1,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,NI:A:1,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,4H75,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C)CCCC[N+](C)(C)C)CCC(=O)N)C(O)C)C)CCCNC(=[NH2+])N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,NHE:A:304,invalid,,,,,C1CCC(CC1)NCCS(=O)(=O)O,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6K05,,,,,,,
,,,CQF:A:201,valid,Ki,=,95.5,nM,Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C,
,,,CQF:B:201,valid,Ki,=,95.5,nM,Cc1nnc2n1-c3ccc(cc3[C@@H](CC2)Nc4ccc(cc4)Cl)c5cnn(c5)C,
,,,MES:B:202,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,6MO8,,,,,,,
,,,JWD:A:202,valid,,,,,Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C,
,,,JWD:A:201,valid,,,,,Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C,
,,,JWD:B:202,valid,,,,,Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6ONY,,,,,,,
,,,HWV:A:202,valid,,,,,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C,
,,,HWV:B:201,valid,,,,,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cc(cc4C)F)C)C(C)(C)O)C,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,6JKE,,,,,,,
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,DMS:C:201,invalid,,,,,CS(=O)C,
,,,PGE:B:203,invalid,,,,,C(COCCOCCO)O,
,,,DTT:A:203,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,BUX:A:201,valid,,,,,c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl,
,,6MO7,,,,,,,
,,,JWA:B:201,valid,,,,,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C,
,,,JWA:A:201,valid,,,,,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C,
,,,JWA:C:201,valid,,,,,Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc3CNC(=O)C)C,
,,6MO9,,,,,,,
,,,JVY:A:202,valid,,,,,Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4,
,,,JVY:A:201,valid,,,,,Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4,
,,,JVY:B:201,valid,,,,,Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4,
,,3AQA,,,,,,,
,,,BYH:A:201,valid,,,,,CN1c2ccccc2N(C1=S)CCSc3[nH]c4ccccc4n3,
,,,MES:A:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,3UFH,,,,,,,
,,,CA:A:913,Part of Protein,,,,,[Ca+2],
,,,FE:A:915,invalid,,,,,[Fe+3],
,,,FE:A:916,invalid,,,,,[Fe+3],
,,,FE:A:917,invalid,,,,,[Fe+3],
,,,FLC:A:918,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:919,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:920,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:922,invalid,,,,,C(C(CO)O)O,
,,,HEC:A:901,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:902,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:903,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:904,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:905,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:906,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:907,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:908,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:909,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:910,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:911,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,MG:A:912,Part of Protein,,,,,[Mg+2],
,,,MG:A:914,Part of Protein,,,,,[Mg+2],
,,,O:A:921,invalid,,,,,O,
,Family. Representative Entry is ,4LO2,,,,,,,
,,,BGC GAL:D:1,valid,Kd,~,1,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,,BGC GAL:E:1,valid,Kd,~,1,mM,OCC1C(O)C(O)C(O)C(O)O1,
,,5BP5,,,,,,,
,,,IPT:A:301,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:301,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,4LO3,,,,,,,
,,,NDG GAL:E:1,valid,Kd,~,1,mM,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,NDG GAL:D:1,valid,Kd,~,1,mM,O(C1C(O)C(N2C(C)O2)C(O)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,4LO1,,,,,,,
,,,GAL:A:301,valid,Kd,~,1.8,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GAL:B:301,valid,Kd,~,1.8,mM,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,5BQU,,,,,,,
,,,FRU GAL:D:1,valid,Kd,=,1.37,mM,,
,,,FRU GAL:E:1,valid,Kd,=,1.37,mM,,
,Family. Representative Entry is ,6EV2,,,,,,,
,,,BGC BGC:I:1,valid,,,,,OCC1C(O)C(O)C(O)CO1.OCC1C(O)C(O)C(O)CO1,
,,,BGC:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6RYN,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,GN1:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO)O)O,
,,6RYM,,,,,,,
,,,NAG:A:404,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NDG:A:403,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5GMV,,,,,,,
,,,ASP SEP TYR GLU VAL LEU ASP LEU:D:16,valid,Kd,=,0.59,uM,P(=O)(OCC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])CC(C)C)C(C)C)CCC(=O)[O-])Cc1ccc(O)cc1)([O-])[O-],
,,,ASP SEP TYR GLU VAL LEU ASP LEU:C:16,valid,Kd,=,0.59,uM,P(=O)(OCC(NC(=O)C([NH3+])CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CC(=O)[O-])CC(C)C)C(C)C)CCC(=O)[O-])Cc1ccc(O)cc1)([O-])[O-],
,Family. Representative Entry is ,3R6K,,,,,,,
,,,EDO:A:526,invalid,,,,,C(CO)O,
,,,EDO:A:527,invalid,,,,,C(CO)O,
,,,GAL FUC GLA:B:1,valid,,,,,,
,Family. Representative Entry is ,4FMS,,,,,,,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PGV:A:409,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:B:408,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:407,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,PGV:A:408,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,,,BDP:B:401,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,BDP:A:401,valid,,,,,[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O,
,,,C8E:B:405,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:404,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:406,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:405,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:406,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:407,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:404,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,5N1X,,,,,,,
,,,8HH:B:201,valid,Kd,=,689,uM,CCNc1cc(nc2n1ncc2)c3cccnc3,
,,,8HH:B:202,valid,Kd,=,689,uM,CCNc1cc(nc2n1ncc2)c3cccnc3,
,,,8HH:D:201,valid,Kd,=,689,uM,CCNc1cc(nc2n1ncc2)c3cccnc3,
,,,8HH:C:201,valid,Kd,=,689,uM,CCNc1cc(nc2n1ncc2)c3cccnc3,
,Family. Representative Entry is ,2VOH,,,,,,,
,,,CIT:A:1151,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,SO4:B:1088,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6TH0,,,,,,,
,,,ACO:A:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:301,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,6TGX,,,,,,,
,,,MET VAL ASN ALA CMC:C:2,valid,,,,,S(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)[CH-][O-])CC(=O)N)C(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,,,MET VAL ASN ALA CMC:D:2,valid,,,,,S(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)[CH-][O-])CC(=O)N)C(C)C)CCSC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,Family. Representative Entry is ,6TE4,,,,,,,
,,,PRO PRO LEU ALA SER LYS:C:564,valid,Kd,=,24,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)CC(C)C)C)CO)CCCC[NH3+],
,Family. Representative Entry is ,5NV9,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,SLB:A:503,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,LMT:A:504,invalid,,,,,CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,PO4:A:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,5NVA,,,,,,,
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,SLB:A:503,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3N5C,,,,,,,
,,,CL:A:1,invalid,,,,,[Cl-],
,,,CL:A:180,invalid,,,,,[Cl-],
,,,CL:B:2,invalid,,,,,[Cl-],
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1E0S,,,,,,,
,,,BME:A:201,invalid,,,,,C(CS)O,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,NH4:A:202,invalid,,,,,[NH4+],
,Family. Representative Entry is ,2XBK,,,,,,,
,,,HEM:A:1398,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,XBK:A:1399,valid,Kd,=,4,uM,C[C@@H]1CC=CC=CC=CC=C[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](CC=CC=CC(=O)O1)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O,
,Family. Representative Entry is ,3AGY,,,,,,,
,,,GLY PRO THR ILE GLU GLU VAL ASP:C:634,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,,,GLY PRO THR ILE GLU GLU VAL ASP:D:634,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,,,GLY PRO THR ILE GLU GLU VAL ASP:F:635,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(CC)C)C(NC(=O)C1N(C(=O)C[NH3+])CCC1)C(O)C,
,Family. Representative Entry is ,2FNA,,,,,,,
,,,ADP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:B:501,invalid,,,,,C(CO)O,
,,,MG:A:400,Part of Protein,,,,,[Mg+2],
,,,MG:B:400,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6N9L,,,,,,,
,,,ADP:A:1003,valid,Kd,=,0.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:1002,valid,Kd,=,0.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6RIR,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GTP:B:900,valid,Kd,=,3.3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:201,valid,Kd,=,3.3,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6ZI3,,,,,,,
,,,FMT:B:537,invalid,,,,,C(=O)O,
,,,FMT:B:512,invalid,,,,,C(=O)O,
,,,FMT:F:710,invalid,,,,,C(=O)O,
,,,FMT:E:511,invalid,,,,,C(=O)O,
,,,FMT:B:519,invalid,,,,,C(=O)O,
,,,FMT:F:706,invalid,,,,,C(=O)O,
,,,FMT:C:509,invalid,,,,,C(=O)O,
,,,FMT:B:548,invalid,,,,,C(=O)O,
,,,FMT:B:546,invalid,,,,,C(=O)O,
,,,FMT:A:531,invalid,,,,,C(=O)O,
,,,FMT:F:711,invalid,,,,,C(=O)O,
,,,FMT:B:564,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:F:708,invalid,,,,,C(=O)O,
,,,FMT:C:513,invalid,,,,,C(=O)O,
,,,FMT:F:718,invalid,,,,,C(=O)O,
,,,FMT:A:526,invalid,,,,,C(=O)O,
,,,FMT:B:523,invalid,,,,,C(=O)O,
,,,FMT:C:530,invalid,,,,,C(=O)O,
,,,FMT:C:557,invalid,,,,,C(=O)O,
,,,FMT:B:568,invalid,,,,,C(=O)O,
,,,FMT:C:538,invalid,,,,,C(=O)O,
,,,FMT:F:714,invalid,,,,,C(=O)O,
,,,FMT:D:509,invalid,,,,,C(=O)O,
,,,FMT:C:539,invalid,,,,,C(=O)O,
,,,FMT:E:505,invalid,,,,,C(=O)O,
,,,FMT:C:511,invalid,,,,,C(=O)O,
,,,FMT:C:512,invalid,,,,,C(=O)O,
,,,FMT:C:533,invalid,,,,,C(=O)O,
,,,FMT:B:553,invalid,,,,,C(=O)O,
,,,FMT:B:514,invalid,,,,,C(=O)O,
,,,FMT:B:538,invalid,,,,,C(=O)O,
,,,FMT:C:542,invalid,,,,,C(=O)O,
,,,FMT:B:542,invalid,,,,,C(=O)O,
,,,FMT:C:537,invalid,,,,,C(=O)O,
,,,FMT:C:562,invalid,,,,,C(=O)O,
,,,FMT:B:511,invalid,,,,,C(=O)O,
,,,FMT:B:540,invalid,,,,,C(=O)O,
,,,FMT:A:542,invalid,,,,,C(=O)O,
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,FMT:C:528,invalid,,,,,C(=O)O,
,,,FMT:B:513,invalid,,,,,C(=O)O,
,,,FMT:E:514,invalid,,,,,C(=O)O,
,,,FMT:A:529,invalid,,,,,C(=O)O,
,,,FMT:C:563,invalid,,,,,C(=O)O,
,,,FMT:E:512,invalid,,,,,C(=O)O,
,,,FMT:B:550,invalid,,,,,C(=O)O,
,,,FMT:B:547,invalid,,,,,C(=O)O,
,,,FMT:A:544,invalid,,,,,C(=O)O,
,,,FMT:C:519,invalid,,,,,C(=O)O,
,,,FMT:A:533,invalid,,,,,C(=O)O,
,,,FMT:B:518,invalid,,,,,C(=O)O,
,,,FMT:E:509,invalid,,,,,C(=O)O,
,,,FMT:C:555,invalid,,,,,C(=O)O,
,,,FMT:A:519,invalid,,,,,C(=O)O,
,,,FMT:F:712,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:D:518,invalid,,,,,C(=O)O,
,,,FMT:B:560,invalid,,,,,C(=O)O,
,,,FMT:C:534,invalid,,,,,C(=O)O,
,,,FMT:A:520,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:C:514,invalid,,,,,C(=O)O,
,,,FMT:D:510,invalid,,,,,C(=O)O,
,,,FMT:A:535,invalid,,,,,C(=O)O,
,,,FMT:C:532,invalid,,,,,C(=O)O,
,,,FMT:C:564,invalid,,,,,C(=O)O,
,,,FMT:E:513,invalid,,,,,C(=O)O,
,,,FMT:B:535,invalid,,,,,C(=O)O,
,,,FMT:C:523,invalid,,,,,C(=O)O,
,,,FMT:C:535,invalid,,,,,C(=O)O,
,,,FMT:B:565,invalid,,,,,C(=O)O,
,,,FMT:C:529,invalid,,,,,C(=O)O,
,,,FMT:C:543,invalid,,,,,C(=O)O,
,,,FMT:B:527,invalid,,,,,C(=O)O,
,,,FMT:D:511,invalid,,,,,C(=O)O,
,,,FMT:A:514,invalid,,,,,C(=O)O,
,,,FMT:D:514,invalid,,,,,C(=O)O,
,,,FMT:C:551,invalid,,,,,C(=O)O,
,,,FMT:B:529,invalid,,,,,C(=O)O,
,,,FMT:C:521,invalid,,,,,C(=O)O,
,,,FMT:C:531,invalid,,,,,C(=O)O,
,,,FMT:B:510,invalid,,,,,C(=O)O,
,,,FMT:E:507,invalid,,,,,C(=O)O,
,,,FMT:A:528,invalid,,,,,C(=O)O,
,,,FMT:A:510,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:B:515,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:C:554,invalid,,,,,C(=O)O,
,,,FMT:D:515,invalid,,,,,C(=O)O,
,,,FMT:A:516,invalid,,,,,C(=O)O,
,,,FMT:F:719,invalid,,,,,C(=O)O,
,,,FMT:B:533,invalid,,,,,C(=O)O,
,,,FMT:C:547,invalid,,,,,C(=O)O,
,,,FMT:A:532,invalid,,,,,C(=O)O,
,,,FMT:B:530,invalid,,,,,C(=O)O,
,,,FMT:C:560,invalid,,,,,C(=O)O,
,,,FMT:D:516,invalid,,,,,C(=O)O,
,,,FMT:B:549,invalid,,,,,C(=O)O,
,,,FMT:B:545,invalid,,,,,C(=O)O,
,,,FMT:B:569,invalid,,,,,C(=O)O,
,,,FMT:C:552,invalid,,,,,C(=O)O,
,,,FMT:E:504,invalid,,,,,C(=O)O,
,,,FMT:C:516,invalid,,,,,C(=O)O,
,,,FMT:A:515,invalid,,,,,C(=O)O,
,,,FMT:A:540,invalid,,,,,C(=O)O,
,,,FMT:B:524,invalid,,,,,C(=O)O,
,,,FMT:C:536,invalid,,,,,C(=O)O,
,,,FMT:B:567,invalid,,,,,C(=O)O,
,,,FMT:A:513,invalid,,,,,C(=O)O,
,,,FMT:B:563,invalid,,,,,C(=O)O,
,,,FMT:C:544,invalid,,,,,C(=O)O,
,,,FMT:B:554,invalid,,,,,C(=O)O,
,,,FMT:C:565,invalid,,,,,C(=O)O,
,,,FMT:B:557,invalid,,,,,C(=O)O,
,,,FMT:C:558,invalid,,,,,C(=O)O,
,,,FMT:A:538,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:C:515,invalid,,,,,C(=O)O,
,,,FMT:C:545,invalid,,,,,C(=O)O,
,,,FMT:C:518,invalid,,,,,C(=O)O,
,,,FMT:B:543,invalid,,,,,C(=O)O,
,,,FMT:B:531,invalid,,,,,C(=O)O,
,,,FMT:B:551,invalid,,,,,C(=O)O,
,,,FMT:C:541,invalid,,,,,C(=O)O,
,,,FMT:B:525,invalid,,,,,C(=O)O,
,,,FMT:A:534,invalid,,,,,C(=O)O,
,,,FMT:C:510,invalid,,,,,C(=O)O,
,,,FMT:F:707,invalid,,,,,C(=O)O,
,,,FMT:A:523,invalid,,,,,C(=O)O,
,,,FMT:E:510,invalid,,,,,C(=O)O,
,,,FMT:B:544,invalid,,,,,C(=O)O,
,,,FMT:B:541,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:B:566,invalid,,,,,C(=O)O,
,,,FMT:B:534,invalid,,,,,C(=O)O,
,,,FMT:D:512,invalid,,,,,C(=O)O,
,,,FMT:C:520,invalid,,,,,C(=O)O,
,,,FMT:B:520,invalid,,,,,C(=O)O,
,,,FMT:A:512,invalid,,,,,C(=O)O,
,,,FMT:F:716,invalid,,,,,C(=O)O,
,,,FMT:A:518,invalid,,,,,C(=O)O,
,,,FMT:B:517,invalid,,,,,C(=O)O,
,,,FMT:C:517,invalid,,,,,C(=O)O,
,,,FMT:B:539,invalid,,,,,C(=O)O,
,,,FMT:B:562,invalid,,,,,C(=O)O,
,,,FMT:C:525,invalid,,,,,C(=O)O,
,,,FMT:D:517,invalid,,,,,C(=O)O,
,,,FMT:C:553,invalid,,,,,C(=O)O,
,,,FMT:C:548,invalid,,,,,C(=O)O,
,,,FMT:F:715,invalid,,,,,C(=O)O,
,,,FMT:C:556,invalid,,,,,C(=O)O,
,,,FMT:A:511,invalid,,,,,C(=O)O,
,,,FMT:B:536,invalid,,,,,C(=O)O,
,,,FMT:B:526,invalid,,,,,C(=O)O,
,,,FMT:B:555,invalid,,,,,C(=O)O,
,,,FMT:B:516,invalid,,,,,C(=O)O,
,,,FMT:A:524,invalid,,,,,C(=O)O,
,,,FMT:A:530,invalid,,,,,C(=O)O,
,,,FMT:C:561,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:A:539,invalid,,,,,C(=O)O,
,,,FMT:C:527,invalid,,,,,C(=O)O,
,,,FMT:C:540,invalid,,,,,C(=O)O,
,,,FMT:A:543,invalid,,,,,C(=O)O,
,,,FMT:B:558,invalid,,,,,C(=O)O,
,,,FMT:A:545,invalid,,,,,C(=O)O,
,,,FMT:B:532,invalid,,,,,C(=O)O,
,,,FMT:C:559,invalid,,,,,C(=O)O,
,,,FMT:C:526,invalid,,,,,C(=O)O,
,,,FMT:A:517,invalid,,,,,C(=O)O,
,,,FMT:C:550,invalid,,,,,C(=O)O,
,,,FMT:D:519,invalid,,,,,C(=O)O,
,,,FMT:A:537,invalid,,,,,C(=O)O,
,,,FMT:F:717,invalid,,,,,C(=O)O,
,,,FMT:C:546,invalid,,,,,C(=O)O,
,,,FMT:C:524,invalid,,,,,C(=O)O,
,,,FMT:A:521,invalid,,,,,C(=O)O,
,,,FMT:A:536,invalid,,,,,C(=O)O,
,,,FMT:B:521,invalid,,,,,C(=O)O,
,,,FMT:F:709,invalid,,,,,C(=O)O,
,,,FMT:B:528,invalid,,,,,C(=O)O,
,,,FMT:A:527,invalid,,,,,C(=O)O,
,,,FMT:F:713,invalid,,,,,C(=O)O,
,,,FMT:E:508,invalid,,,,,C(=O)O,
,,,FMT:E:506,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:B:556,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:B:561,invalid,,,,,C(=O)O,
,,,FMT:A:541,invalid,,,,,C(=O)O,
,,,FMT:D:513,invalid,,,,,C(=O)O,
,,,FMT:B:509,invalid,,,,,C(=O)O,
,,,FMT:B:559,invalid,,,,,C(=O)O,
,,,FMT:B:522,invalid,,,,,C(=O)O,
,,,FMT:A:522,invalid,,,,,C(=O)O,
,,,FMT:C:522,invalid,,,,,C(=O)O,
,,,FMT:C:508,invalid,,,,,C(=O)O,
,,,FMT:A:525,invalid,,,,,C(=O)O,
,,,FMT:B:552,invalid,,,,,C(=O)O,
,,,FMT:C:549,invalid,,,,,C(=O)O,
,,,DEB:F:703,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,DEB:C:502,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,DEB:A:502,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,DEB:B:502,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,DEB:E:502,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,DEB:D:502,valid,,,,,CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:704,invalid,,,,,C(C(CO)O)O,
,,,NA:A:546,invalid,,,,,[Na+],
,,,NA:B:570,invalid,,,,,[Na+],
,,,NA:C:566,Part of Protein,,,,,[Na+],
,,,NA:A:547,Part of Protein,,,,,[Na+],
,,,NA:E:515,invalid,,,,,[Na+],
,,,NA:F:720,invalid,,,,,[Na+],
,,,NA:D:520,invalid,,,,,[Na+],
,,,RAM:C:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:D:503,invalid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:B:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:C:504,invalid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:F:701,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:E:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:702,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:705,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6ZI7,,,,,,,
,,,FMT:B:537,invalid,,,,,C(=O)O,
,,,FMT:B:512,invalid,,,,,C(=O)O,
,,,FMT:D:529,invalid,,,,,C(=O)O,
,,,FMT:E:511,invalid,,,,,C(=O)O,
,,,FMT:A:558,invalid,,,,,C(=O)O,
,,,FMT:C:509,invalid,,,,,C(=O)O,
,,,FMT:B:519,invalid,,,,,C(=O)O,
,,,FMT:F:507,invalid,,,,,C(=O)O,
,,,FMT:A:531,invalid,,,,,C(=O)O,
,,,FMT:A:570,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:D:530,invalid,,,,,C(=O)O,
,,,FMT:C:513,invalid,,,,,C(=O)O,
,,,FMT:D:521,invalid,,,,,C(=O)O,
,,,FMT:B:523,invalid,,,,,C(=O)O,
,,,FMT:C:530,invalid,,,,,C(=O)O,
,,,FMT:C:505,invalid,,,,,C(=O)O,
,,,FMT:A:572,invalid,,,,,C(=O)O,
,,,FMT:D:526,invalid,,,,,C(=O)O,
,,,FMT:A:556,invalid,,,,,C(=O)O,
,,,FMT:C:538,invalid,,,,,C(=O)O,
,,,FMT:C:539,invalid,,,,,C(=O)O,
,,,FMT:D:509,invalid,,,,,C(=O)O,
,,,FMT:E:515,invalid,,,,,C(=O)O,
,,,FMT:E:505,invalid,,,,,C(=O)O,
,,,FMT:C:511,invalid,,,,,C(=O)O,
,,,FMT:F:504,invalid,,,,,C(=O)O,
,,,FMT:C:512,invalid,,,,,C(=O)O,
,,,FMT:C:533,invalid,,,,,C(=O)O,
,,,FMT:D:520,invalid,,,,,C(=O)O,
,,,FMT:A:547,invalid,,,,,C(=O)O,
,,,FMT:B:514,invalid,,,,,C(=O)O,
,,,FMT:B:538,invalid,,,,,C(=O)O,
,,,FMT:C:542,invalid,,,,,C(=O)O,
,,,FMT:C:537,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:511,invalid,,,,,C(=O)O,
,,,FMT:B:540,invalid,,,,,C(=O)O,
,,,FMT:A:542,invalid,,,,,C(=O)O,
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,FMT:F:513,invalid,,,,,C(=O)O,
,,,FMT:C:528,invalid,,,,,C(=O)O,
,,,FMT:E:514,invalid,,,,,C(=O)O,
,,,FMT:D:536,invalid,,,,,C(=O)O,
,,,FMT:A:551,invalid,,,,,C(=O)O,
,,,FMT:A:529,invalid,,,,,C(=O)O,
,,,FMT:E:512,invalid,,,,,C(=O)O,
,,,FMT:A:554,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:A:544,invalid,,,,,C(=O)O,
,,,FMT:C:519,invalid,,,,,C(=O)O,
,,,FMT:D:532,invalid,,,,,C(=O)O,
,,,FMT:A:533,invalid,,,,,C(=O)O,
,,,FMT:B:518,invalid,,,,,C(=O)O,
,,,FMT:E:509,invalid,,,,,C(=O)O,
,,,FMT:A:519,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:D:518,invalid,,,,,C(=O)O,
,,,FMT:A:520,invalid,,,,,C(=O)O,
,,,FMT:C:534,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:C:514,invalid,,,,,C(=O)O,
,,,FMT:D:510,invalid,,,,,C(=O)O,
,,,FMT:A:535,invalid,,,,,C(=O)O,
,,,FMT:C:532,invalid,,,,,C(=O)O,
,,,FMT:C:506,invalid,,,,,C(=O)O,
,,,FMT:A:548,invalid,,,,,C(=O)O,
,,,FMT:E:513,invalid,,,,,C(=O)O,
,,,FMT:B:535,invalid,,,,,C(=O)O,
,,,FMT:C:523,invalid,,,,,C(=O)O,
,,,FMT:A:552,invalid,,,,,C(=O)O,
,,,FMT:C:535,invalid,,,,,C(=O)O,
,,,FMT:D:525,invalid,,,,,C(=O)O,
,,,FMT:C:543,invalid,,,,,C(=O)O,
,,,FMT:C:529,invalid,,,,,C(=O)O,
,,,FMT:D:511,invalid,,,,,C(=O)O,
,,,FMT:B:527,invalid,,,,,C(=O)O,
,,,FMT:F:510,invalid,,,,,C(=O)O,
,,,FMT:A:549,invalid,,,,,C(=O)O,
,,,FMT:A:514,invalid,,,,,C(=O)O,
,,,FMT:D:514,invalid,,,,,C(=O)O,
,,,FMT:C:551,invalid,,,,,C(=O)O,
,,,FMT:B:529,invalid,,,,,C(=O)O,
,,,FMT:A:566,invalid,,,,,C(=O)O,
,,,FMT:C:521,invalid,,,,,C(=O)O,
,,,FMT:C:531,invalid,,,,,C(=O)O,
,,,FMT:B:510,invalid,,,,,C(=O)O,
,,,FMT:C:503,invalid,,,,,C(=O)O,
,,,FMT:A:528,invalid,,,,,C(=O)O,
,,,FMT:A:510,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:D:537,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:D:531,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:D:524,invalid,,,,,C(=O)O,
,,,FMT:A:516,invalid,,,,,C(=O)O,
,,,FMT:D:515,invalid,,,,,C(=O)O,
,,,FMT:A:546,invalid,,,,,C(=O)O,
,,,FMT:B:533,invalid,,,,,C(=O)O,
,,,FMT:A:573,invalid,,,,,C(=O)O,
,,,FMT:C:547,invalid,,,,,C(=O)O,
,,,FMT:A:532,invalid,,,,,C(=O)O,
,,,FMT:B:530,invalid,,,,,C(=O)O,
,,,FMT:F:506,invalid,,,,,C(=O)O,
,,,FMT:D:516,invalid,,,,,C(=O)O,
,,,FMT:A:565,invalid,,,,,C(=O)O,
,,,FMT:C:552,invalid,,,,,C(=O)O,
,,,FMT:E:517,invalid,,,,,C(=O)O,
,,,FMT:E:504,invalid,,,,,C(=O)O,
,,,FMT:C:516,invalid,,,,,C(=O)O,
,,,FMT:A:515,invalid,,,,,C(=O)O,
,,,FMT:A:540,invalid,,,,,C(=O)O,
,,,FMT:A:571,invalid,,,,,C(=O)O,
,,,FMT:B:524,invalid,,,,,C(=O)O,
,,,FMT:E:501,invalid,,,,,C(=O)O,
,,,FMT:F:512,invalid,,,,,C(=O)O,
,,,FMT:C:536,invalid,,,,,C(=O)O,
,,,FMT:A:513,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:C:544,invalid,,,,,C(=O)O,
,,,FMT:A:538,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:C:515,invalid,,,,,C(=O)O,
,,,FMT:C:545,invalid,,,,,C(=O)O,
,,,FMT:C:518,invalid,,,,,C(=O)O,
,,,FMT:F:515,invalid,,,,,C(=O)O,
,,,FMT:B:531,invalid,,,,,C(=O)O,
,,,FMT:C:504,invalid,,,,,C(=O)O,
,,,FMT:C:541,invalid,,,,,C(=O)O,
,,,FMT:B:525,invalid,,,,,C(=O)O,
,,,FMT:A:534,invalid,,,,,C(=O)O,
,,,FMT:C:510,invalid,,,,,C(=O)O,
,,,FMT:A:559,invalid,,,,,C(=O)O,
,,,FMT:A:523,invalid,,,,,C(=O)O,
,,,FMT:D:523,invalid,,,,,C(=O)O,
,,,FMT:E:510,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:B:534,invalid,,,,,C(=O)O,
,,,FMT:C:507,invalid,,,,,C(=O)O,
,,,FMT:D:512,invalid,,,,,C(=O)O,
,,,FMT:A:553,invalid,,,,,C(=O)O,
,,,FMT:D:528,invalid,,,,,C(=O)O,
,,,FMT:C:520,invalid,,,,,C(=O)O,
,,,FMT:B:520,invalid,,,,,C(=O)O,
,,,FMT:A:512,invalid,,,,,C(=O)O,
,,,FMT:F:509,invalid,,,,,C(=O)O,
,,,FMT:A:518,invalid,,,,,C(=O)O,
,,,FMT:B:517,invalid,,,,,C(=O)O,
,,,FMT:C:517,invalid,,,,,C(=O)O,
,,,FMT:B:539,invalid,,,,,C(=O)O,
,,,FMT:D:533,invalid,,,,,C(=O)O,
,,,FMT:A:574,invalid,,,,,C(=O)O,
,,,FMT:F:514,invalid,,,,,C(=O)O,
,,,FMT:C:525,invalid,,,,,C(=O)O,
,,,FMT:D:517,invalid,,,,,C(=O)O,
,,,FMT:C:548,invalid,,,,,C(=O)O,
,,,FMT:A:562,invalid,,,,,C(=O)O,
,,,FMT:A:568,invalid,,,,,C(=O)O,
,,,FMT:A:555,invalid,,,,,C(=O)O,
,,,FMT:F:501,invalid,,,,,C(=O)O,
,,,FMT:A:511,invalid,,,,,C(=O)O,
,,,FMT:B:536,invalid,,,,,C(=O)O,
,,,FMT:B:526,invalid,,,,,C(=O)O,
,,,FMT:F:511,invalid,,,,,C(=O)O,
,,,FMT:B:516,invalid,,,,,C(=O)O,
,,,FMT:A:524,invalid,,,,,C(=O)O,
,,,FMT:A:530,invalid,,,,,C(=O)O,
,,,FMT:A:557,invalid,,,,,C(=O)O,
,,,FMT:A:560,invalid,,,,,C(=O)O,
,,,FMT:A:569,invalid,,,,,C(=O)O,
,,,FMT:E:516,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:A:539,invalid,,,,,C(=O)O,
,,,FMT:A:543,invalid,,,,,C(=O)O,
,,,FMT:C:540,invalid,,,,,C(=O)O,
,,,FMT:A:567,invalid,,,,,C(=O)O,
,,,FMT:D:535,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:A:545,invalid,,,,,C(=O)O,
,,,FMT:B:532,invalid,,,,,C(=O)O,
,,,FMT:D:534,invalid,,,,,C(=O)O,
,,,FMT:C:526,invalid,,,,,C(=O)O,
,,,FMT:D:522,invalid,,,,,C(=O)O,
,,,FMT:A:517,invalid,,,,,C(=O)O,
,,,FMT:C:550,invalid,,,,,C(=O)O,
,,,FMT:D:519,invalid,,,,,C(=O)O,
,,,FMT:A:537,invalid,,,,,C(=O)O,
,,,FMT:C:546,invalid,,,,,C(=O)O,
,,,FMT:C:524,invalid,,,,,C(=O)O,
,,,FMT:A:521,invalid,,,,,C(=O)O,
,,,FMT:A:536,invalid,,,,,C(=O)O,
,,,FMT:F:505,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:A:564,invalid,,,,,C(=O)O,
,,,FMT:B:521,invalid,,,,,C(=O)O,
,,,FMT:B:528,invalid,,,,,C(=O)O,
,,,FMT:A:527,invalid,,,,,C(=O)O,
,,,FMT:E:508,invalid,,,,,C(=O)O,
,,,FMT:E:506,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:A:541,invalid,,,,,C(=O)O,
,,,FMT:A:561,invalid,,,,,C(=O)O,
,,,FMT:B:509,invalid,,,,,C(=O)O,
,,,FMT:B:522,invalid,,,,,C(=O)O,
,,,FMT:C:522,invalid,,,,,C(=O)O,
,,,FMT:A:522,invalid,,,,,C(=O)O,
,,,FMT:C:508,invalid,,,,,C(=O)O,
,,,FMT:A:525,invalid,,,,,C(=O)O,
,,,FMT:A:550,invalid,,,,,C(=O)O,
,,,FMT:A:563,invalid,,,,,C(=O)O,
,,,FMT:C:549,invalid,,,,,C(=O)O,
,,,FMT:D:527,invalid,,,,,C(=O)O,
,,,QR8:B:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:D:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:A:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:C:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:E:503,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:F:503,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,RAM:B:513,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:D:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,RAM:A:503,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O,
,,,NA:F:508,invalid,,,,,[Na+],
,,,NA:C:527,Part of Protein,,,,,[Na+],
,,,NA:D:513,invalid,,,,,[Na+],
,,,NA:B:515,invalid,,,,,[Na+],
,,,NA:A:526,invalid,,,,,[Na+],
,,,NA:E:507,invalid,,,,,[Na+],
,,,HEM:E:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:502,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,6ZHZ,,,,,,,
,,,FMT:B:512,invalid,,,,,C(=O)O,
,,,FMT:E:504,invalid,,,,,C(=O)O,
,,,FMT:B:519,invalid,,,,,C(=O)O,
,,,FMT:C:509,invalid,,,,,C(=O)O,
,,,FMT:C:516,invalid,,,,,C(=O)O,
,,,FMT:A:515,invalid,,,,,C(=O)O,
,,,FMT:F:507,invalid,,,,,C(=O)O,
,,,FMT:B:524,invalid,,,,,C(=O)O,
,,,FMT:A:513,invalid,,,,,C(=O)O,
,,,FMT:D:508,invalid,,,,,C(=O)O,
,,,FMT:B:504,invalid,,,,,C(=O)O,
,,,FMT:C:513,invalid,,,,,C(=O)O,
,,,FMT:A:507,invalid,,,,,C(=O)O,
,,,FMT:C:515,invalid,,,,,C(=O)O,
,,,FMT:E:503,invalid,,,,,C(=O)O,
,,,FMT:B:523,invalid,,,,,C(=O)O,
,,,FMT:C:518,invalid,,,,,C(=O)O,
,,,FMT:C:505,invalid,,,,,C(=O)O,
,,,FMT:C:504,invalid,,,,,C(=O)O,
,,,FMT:B:525,invalid,,,,,C(=O)O,
,,,FMT:D:509,invalid,,,,,C(=O)O,
,,,FMT:C:510,invalid,,,,,C(=O)O,
,,,FMT:E:505,invalid,,,,,C(=O)O,
,,,FMT:C:511,invalid,,,,,C(=O)O,
,,,FMT:E:510,invalid,,,,,C(=O)O,
,,,FMT:F:504,invalid,,,,,C(=O)O,
,,,FMT:C:512,invalid,,,,,C(=O)O,
,,,FMT:B:514,invalid,,,,,C(=O)O,
,,,FMT:D:504,invalid,,,,,C(=O)O,
,,,FMT:B:506,invalid,,,,,C(=O)O,
,,,FMT:B:511,invalid,,,,,C(=O)O,
,,,FMT:C:507,invalid,,,,,C(=O)O,
,,,FMT:C:520,invalid,,,,,C(=O)O,
,,,FMT:A:512,invalid,,,,,C(=O)O,
,,,FMT:B:520,invalid,,,,,C(=O)O,
,,,FMT:F:509,invalid,,,,,C(=O)O,
,,,FMT:A:508,invalid,,,,,C(=O)O,
,,,FMT:B:517,invalid,,,,,C(=O)O,
,,,FMT:B:513,invalid,,,,,C(=O)O,
,,,FMT:C:517,invalid,,,,,C(=O)O,
,,,FMT:B:503,invalid,,,,,C(=O)O,
,,,FMT:C:519,invalid,,,,,C(=O)O,
,,,FMT:B:518,invalid,,,,,C(=O)O,
,,,FMT:E:509,invalid,,,,,C(=O)O,
,,,FMT:A:511,invalid,,,,,C(=O)O,
,,,FMT:B:526,invalid,,,,,C(=O)O,
,,,FMT:B:508,invalid,,,,,C(=O)O,
,,,FMT:F:511,invalid,,,,,C(=O)O,
,,,FMT:F:508,invalid,,,,,C(=O)O,
,,,FMT:A:505,invalid,,,,,C(=O)O,
,,,FMT:C:514,invalid,,,,,C(=O)O,
,,,FMT:D:510,invalid,,,,,C(=O)O,
,,,FMT:C:506,invalid,,,,,C(=O)O,
,,,FMT:B:516,invalid,,,,,C(=O)O,
,,,FMT:C:523,invalid,,,,,C(=O)O,
,,,FMT:D:507,invalid,,,,,C(=O)O,
,,,FMT:D:511,invalid,,,,,C(=O)O,
,,,FMT:F:510,invalid,,,,,C(=O)O,
,,,FMT:A:514,invalid,,,,,C(=O)O,
,,,FMT:B:505,invalid,,,,,C(=O)O,
,,,FMT:C:521,invalid,,,,,C(=O)O,
,,,FMT:B:510,invalid,,,,,C(=O)O,
,,,FMT:C:503,invalid,,,,,C(=O)O,
,,,FMT:E:507,invalid,,,,,C(=O)O,
,,,FMT:A:517,invalid,,,,,C(=O)O,
,,,FMT:A:510,invalid,,,,,C(=O)O,
,,,FMT:D:506,invalid,,,,,C(=O)O,
,,,FMT:B:515,invalid,,,,,C(=O)O,
,,,FMT:F:505,invalid,,,,,C(=O)O,
,,,FMT:B:507,invalid,,,,,C(=O)O,
,,,FMT:A:504,invalid,,,,,C(=O)O,
,,,FMT:B:521,invalid,,,,,C(=O)O,
,,,FMT:A:506,invalid,,,,,C(=O)O,
,,,FMT:A:516,invalid,,,,,C(=O)O,
,,,FMT:E:508,invalid,,,,,C(=O)O,
,,,FMT:E:506,invalid,,,,,C(=O)O,
,,,FMT:D:505,invalid,,,,,C(=O)O,
,,,FMT:A:509,invalid,,,,,C(=O)O,
,,,FMT:F:506,invalid,,,,,C(=O)O,
,,,FMT:B:509,invalid,,,,,C(=O)O,
,,,FMT:C:522,invalid,,,,,C(=O)O,
,,,FMT:B:522,invalid,,,,,C(=O)O,
,,,FMT:C:508,invalid,,,,,C(=O)O,
,,,GOL:C:529,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:527,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:528,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:512,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:530,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:526,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:532,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:525,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:529,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:518,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:524,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:531,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:527,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:528,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,NA:F:513,invalid,,,,,[Na+],
,,,NA:D:513,invalid,,,,,[Na+],
,,,NA:C:530,Part of Protein,,,,,[Na+],
,,,NA:B:533,invalid,,,,,[Na+],
,,,NA:A:519,invalid,,,,,[Na+],
,,,TRS:D:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:F:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,QR8:E:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:F:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:D:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:A:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:C:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,,,QR8:B:502,valid,,,,,C[C@H]1C[C@@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C,
,Family. Representative Entry is ,2DUR,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CL:A:10,invalid,,,,,[Cl-],
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:A:8,invalid,,,,,[Cl-],
,,,CL:A:9,invalid,,,,,[Cl-],
,,,CL:B:4,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,CL:B:7,invalid,,,,,[Cl-],
,,,GOL:A:11,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:12,invalid,,,,,C(C(CO)O)O,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,2E6V,,,,,,,
,,,BMA MAN MAN:F:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BMA MAN MAN:G:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:8,Part of Protein,,,,,[Ca+2],
,,,CA:B:9,Part of Protein,,,,,[Ca+2],
,,,CA:C:10,Part of Protein,,,,,[Ca+2],
,,,CA:D:11,Part of Protein,,,,,[Ca+2],
,,,CA:E:12,Part of Protein,,,,,[Ca+2],
,,,MAN:C:7,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,2DUQ,,,,,,,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CL:A:12,invalid,,,,,[Cl-],
,,,CL:A:13,invalid,,,,,[Cl-],
,,,CL:A:15,invalid,,,,,[Cl-],
,,,CL:A:3,invalid,,,,,[Cl-],
,,,CL:A:5,invalid,,,,,[Cl-],
,,,CL:A:7,invalid,,,,,[Cl-],
,,,CL:A:9,invalid,,,,,[Cl-],
,,,CL:B:10,invalid,,,,,[Cl-],
,,,CL:B:11,invalid,,,,,[Cl-],
,,,CL:B:14,invalid,,,,,[Cl-],
,,,CL:B:4,invalid,,,,,[Cl-],
,,,CL:B:6,invalid,,,,,[Cl-],
,,,CL:B:8,invalid,,,,,[Cl-],
,,,MAN:A:16,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:17,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,2R4V,,,,,,,
,,,GSH:A:248,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:249,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5XLA,,,,,,,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:602,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:602,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,5XL9,,,,,,,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,1XS5,,,,,,,
,,,MET:A:301,valid,,,,,CSCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,1G5N,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,SGN IDS SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,SGN IDS SGN UAP:B:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,1A8B,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,GPE:A:999,valid,,,,,C(CO[P@](=O)(O)OC[C@@H](CO)O)N,
,,1A8A,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,CA:A:405,Part of Protein,,,,,[Ca+2],
,,,CA:A:406,Part of Protein,,,,,[Ca+2],
,,,CA:A:407,Part of Protein,,,,,[Ca+2],
,,,CA:A:408,Part of Protein,,,,,[Ca+2],
,,,CA:A:409,Part of Protein,,,,,[Ca+2],
,,,CA:A:410,Part of Protein,,,,,[Ca+2],
,,,GSE:A:997,valid,,,,,C([C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O)O,
,Family. Representative Entry is ,6V1H,,,,,,,
,,,BMF:A:301,valid,Kd,=,114,nM,CCOC(=O)Nc1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,6V1E,,,,,,,
,,,5SW:A:301,valid,Kd,=,121,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(c(c3)OC)CN(C)C)OC,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,6V17,,,,,,,
,,,H1B:A:302,valid,Kd,=,148,nM,CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,,H1B:B:301,valid,Kd,=,148,nM,CCN1C=C(c2c(cc(s2)/C(=N/C3CCS(=O)(=O)CC3)/N)C1=O)c4cccc(c4)C(F)(F)F,
,,,CL:A:301,invalid,,,,,[Cl-],
,,6V0Q,,,,,,,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:301,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,EAE:C:302,valid,Kd,=,4200,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EAE:D:302,valid,Kd,=,4200,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EAE:B:301,valid,Kd,=,4200,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,,EAE:A:305,valid,Kd,=,4200,nM,CCN1c2cc(ccc2S/C1=CC(=O)C)OC,
,,6V16,,,,,,,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,HEZ:B:302,invalid,,,,,C(CCCO)CCO,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,QMG:B:301,valid,Kd,=,556,nM,Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4,
,,,QMG:A:301,valid,Kd,=,556,nM,Cc1ccc(cc1c2cc(n3c2nccc3)C(=O)C)C(=O)NC4CC4,
,,6V1F,,,,,,,
,,,5U6:A:301,valid,Kd,=,418,nM,CN1C=C(c2ccncc2C1=O)c3cc(c(cc3OC)CN(C)C)OC,
,Family. Representative Entry is ,3DX5,,,,,,,
,,,CL:A:288,invalid,,,,,[Cl-],
,,,DHB:A:289,valid,,,,,c1cc(c(cc1C(=O)O)O)O,
,,,GOL:A:291,invalid,,,,,C(C(CO)O)O,
,,,MN:A:287,Part of Protein,,,,,[Mn+2],
,,,TRS:A:290,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,3PG7,,,,,,,
,,,POP:B:601,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,PTY:A:400,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:500,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,2E2X,,,,,,,
,,,PEV:A:400,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PEV:B:500,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,POP:B:601,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:B:602,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,Family. Representative Entry is ,3LQV,,,,,,,
,,,ADE:A:1,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,ADE:B:2,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,Family. Representative Entry is ,5WUU,,,,,,,
,,,7UU:A:201,valid,ic50,=,0.81,uM,CN(CCCNC1=CC(=O)Oc2c1cccc2)C(=O)c3cccs3,
,Family. Representative Entry is ,5GJH,,,,,,,
,,,SER ASP PTR MET ASN MET THR PRO:B:189,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCSC)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)C,
,,,SER ASP PTR MET ASN MET THR PRO:D:189,valid,,,,,S(CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(=O)[O-])Cc1ccc(OP(=O)([O-])[O-])cc1)CCSC)CC(=O)N)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)C(O)C)C,
,Family. Representative Entry is ,3LXR,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:182,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:189,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:190,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3LWN,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,invalid,,,,,[Mg+2],
,,,MG:B:301,invalid,,,,,[Mg+2],
,,3LW8,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:C:301,Part of Protein,,,,,[Mg+2],
,,,MG:D:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6DCH,,,,,,,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,ZN:A:403,Part of Protein,,,,,[Zn+2],
,,,CHT:A:404,valid,,,,,C[N+](C)(C)CCO,
,,,CL:A:402,invalid,,,,,[Cl-],
,,6L6W,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FMT:A:403,invalid,,,,,C(=O)O,
,,,E79:A:402,valid,,,,,C[C@H](CC(=O)O)N[C@@H](C(=O)O)O,
,,6L6X,,,,,,,
,,,7UC:A:401,valid,,,,,C[C@H](CC(=O)O)NCC(=O)O,
,,,TAR:A:403,valid,,,,,[C@H]([C@@H](C(=O)O)O)(C(=O)O)O,
,,,FE2:A:402,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,5CX8,,,,,,,
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:605,invalid,,,,,CC(=O)[O-],
,,,RP3:B:601,valid,,,,,C1[C@H](O[C@H]([C@@H]1O)O)COP(=O)(O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:602,invalid,,,,,C(C(CO)O)O,
,,,3DO:A:601,valid,,,,,C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O,
,,,TG6:A:602,valid,,,,,C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2YY8,,,,,,,
,,,MTA:A:400,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,1T9F,,,,,,,
,,,MLI:A:207,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5H3A,,,,,,,
,,,UMP:A:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:402,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,D16:A:401,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,D16:B:401,valid,,,,,CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,5H39,,,,,,,
,,,UMP:B:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:401,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,6K2Z,,,,,,,
,,,GLC GAL:D:1,valid,,,,,,
,,,BGC GAL:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,4UAI,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3GG:A:101,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3[nH]nnn3,
,,2NWG,,,,,,,
,,,SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,,,SGN UAP:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)CC(=C(O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(O)O1)[O-],
,Family. Representative Entry is ,5Y0N,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4G9Z,,,,,,,
,,,G   C   C   C  :E:4,valid,,,,,,
,,,G   G   G   C  :F:4,valid,,,,,,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6YUQ,,,,,,,
,,,BMX BMX BMX BM3:A:404,valid,,,,,P(=O)(OCC1C(O)C(O)C(NC(=O)C)C(OP(=O)(OCC2C(O)C(O)C(NC(=O)C)C(O)O2)[O-])O1)(OC1C(NC(=O)C)C(O)C(O)C(COP(=O)(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)[O-])O1)[O-],
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:B:302,invalid,,,,,[Cl-],
,,,PGE:B:301,invalid,,,,,C(COCCOCCO)O,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,6YUS,,,,,,,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,PEG:B:303,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4YHY,,,,,,,
,,,M3L:B:301,valid,,,,,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,
,,,M3L:H:301,valid,,,,,C[N+](C)(C)CCCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2C63,,,,,,,
,,,ARG ALA ILE SEP LEU PRO:P:3,valid,,,,,P(=O)(OCC(NC(=O)C(N)C(CC)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)([O-])[O-],
,,,ARG ALA ILE SEP LEU PRO:Q:3,valid,,,,,P(=O)(OCC(NC(=O)C(N)C(CC)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)([O-])[O-],
,,,ARG ALA ILE SEP LEU PRO:R:3,valid,,,,,P(=O)(OCC(NC(=O)C(N)C(CC)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)([O-])[O-],
,,,ARG ALA ILE SEP LEU PRO:S:3,valid,,,,,P(=O)(OCC(NC(=O)C(N)C(CC)C)C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CC(C)C)([O-])[O-],
,Family. Representative Entry is ,5H7Q,,,,,,,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5WPZ,,,,,,,
,,,GLC GLC:J:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:L:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:I:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:K:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,5WQ6,,,,,,,
,,,EDO:C:503,invalid,,,,,C(CO)O,
,,,EDO:C:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:C:504,invalid,,,,,C(CO)O,
,,,ACT:D:502,invalid,,,,,CC(=O)[O-],
,,,ACT:B:502,invalid,,,,,CC(=O)[O-],
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6QB4,,,,,,,
,,,HVN:A:401,valid,,,,,Cc1c(c(n(n1)C)C)c2cccc3c2[nH]c(c3CCCO[C@@H]4CCCc5c4cccc5)C(=O)O,
,Family. Representative Entry is ,3UWB,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,ZN:A:200,Part of Protein,,,,,[Zn+2],
,,,BB2:A:154,valid,ic50,=,10,nM,CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO,
,Family. Representative Entry is ,5XL4,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,5XL7,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5XL6,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,5XLC,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,5XL3,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA:A:603,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5XLD,,,,,,,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:602,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3PCR,,,,,,,
,,,GTP:B:1230,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1231,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3TV3,,,,,,,
,,,EPE:H:313,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,GOL:H:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:310,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:312,invalid,,,,,C(C(CO)O)O,
,,,MAN AML MAN MAN MAN MAN MAN MAN MAN:A:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OCC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CCCC)O2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,3TWC,,,,,,,
,,,MAN AML MAN MAN MAN MAN MAN MAN MAN:A:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OCC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(CCCC)O2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,6B3D,,,,,,,
,,,IPA:H:312,invalid,,,,,CC(C)O,
,,,IPA:L:308,invalid,,,,,CC(C)O,
,,,IPA:H:311,invalid,,,,,CC(C)O,
,,,GOL:L:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:301,invalid,,,,,C(C(CO)O)O,
,,,EDO:H:309,invalid,,,,,C(CO)O,
,,,EDO:L:305,invalid,,,,,C(CO)O,
,,,EDO:L:304,invalid,,,,,C(CO)O,
,,,EDO:L:306,invalid,,,,,C(CO)O,
,,,EDO:L:307,invalid,,,,,C(CO)O,
,,,EDO:H:310,invalid,,,,,C(CO)O,
,,,MAN MAN MAN MAN MAN MAN MAN:A:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OCC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(O)O2)O1)C1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1,
,,,EPE:H:308,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,5H67,,,,,,,
,,,ATP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3G2O,,,,,,,
,,,SAM:A:500,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:600,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,3G2Q,,,,,,,
,,,SFG:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,Family. Representative Entry is ,2V17,,,,,,,
,,,THR ASP HIS GLY ALA GLU:A:386,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])C(O)C)CC(=O)[O-])Cc1nc[nH]c1)C)CCC(=O)[O-],
,Family. Representative Entry is ,6JQ8,,,,,,,
,,,GNH:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,invalid,,,,,[Mg+2],
,,,CIT:A:303,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4PXZ,,,,,,,
,,,PEG:A:1206,invalid,,,,,C(COCCO)O,
,,,OLC:A:1205,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1204,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:1203,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,CLR:A:1202,invalid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,6AD:A:1201,valid,,,,,CSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5VX5,,,,,,,
,,,BGC GAL NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,Family. Representative Entry is ,1WDT,,,,,,,
,,,GTP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VWA,,,,,,,
,,,PTY:A:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:B:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:C:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:D:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:E:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,,,PTY:F:1230,valid,,,,,CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN,
,Family. Representative Entry is ,5XG5,,,,,,,
,,,A2G:A:201,valid,Kd,=,0.33,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:203,valid,Kd,=,0.33,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,A2G:A:202,valid,Kd,=,0.33,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,Family. Representative Entry is ,6O0W,,,,,,,
,,,A2P:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)OP(=O)(O)O)N,
,,,BTB:A:202,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,Family. Representative Entry is ,2ZTS,,,,,,,
,,,ADP:A:1903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:1903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:1903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1904,Part of Protein,,,,,[Mg+2],
,,,MG:B:1904,Part of Protein,,,,,[Mg+2],
,,,MG:C:1904,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4ZW9,,,,,,,
,,,OLC:A:503,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:501,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:502,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,BGC:A:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GLC:A:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,4ZWB,,,,,,,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3OTH,,,,,,,
,,,CLJ:A:394,valid,,,,,Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=CC#C[C@@]6(CC(=O)C(=C5/C6=CCSSSC)NC(=O)OC)O)C)C,
,,,CLJ:B:394,valid,,,,,Cc1c(c(c(c(c1I)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)OC)O)OC)OC)C(=O)S[C@@H]3[C@H](O[C@H](C[C@@H]3O)ON[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O[C@H]5C#C/C=CC#C[C@@]6(CC(=O)C(=C5/C6=CCSSSC)NC(=O)OC)O)C)C,
,,,TYD:A:393,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:393,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,3OTG,,,,,,,
,,,CL:A:394,invalid,,,,,[Cl-],
,,,CL:A:395,invalid,,,,,[Cl-],
,,,CL:A:396,invalid,,,,,[Cl-],
,,,CL:A:397,invalid,,,,,[Cl-],
,,,CL:A:398,invalid,,,,,[Cl-],
,,,TYD:A:393,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5HIP,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,61O:A:403,valid,Kd,=,0.9,uM,c1ccc(c(c1)c2cccnc2)C(=O)O,
,,2Q0I,,,,,,,
,,,BEZ:A:990,valid,Kd,=,29.1,uM,c1ccc(cc1)C(=O)O,
,,,FE:A:998,Part of Protein,,,,,[Fe+3],
,,,FE:A:999,Part of Protein,,,,,[Fe+3],
,,3DH8,,,,,,,
,,,B4N:A:1000,valid,,,,,c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-],
,,,FE:A:998,Part of Protein,,,,,[Fe+3],
,,,FE:A:999,Part of Protein,,,,,[Fe+3],
,,5HIO,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,61M:A:403,valid,,,,,c1ccc(c(c1)C(=O)CC(=O)O)N,
,,5HIS,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,60P:A:403,valid,Kd,=,19.6,uM,Cc1ccsc1C(=O)O,
,,2Q0J,,,,,,,
,,,BEZ:A:500,valid,Kd,=,29.1,uM,c1ccc(cc1)C(=O)O,
,,,BEZ:B:500,valid,Kd,=,29.1,uM,c1ccc(cc1)C(=O)O,
,,,FE:A:997,Part of Protein,,,,,[Fe+3],
,,,FE:A:998,Part of Protein,,,,,[Fe+3],
,,,FE:B:997,Part of Protein,,,,,[Fe+3],
,,,FE:B:998,Part of Protein,,,,,[Fe+3],
,,5HIQ,,,,,,,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:402,Part of Protein,,,,,[Fe+3],
,,,60Q:A:403,valid,,,,,c1ccc(c(c1)C(=O)O)n2cccc2,
,Family. Representative Entry is ,6VIK,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,GSP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,6VIJ,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GDP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6VII,,,,,,,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,GSP:B:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3NHT,,,,,,,
,,,SO4:A:298,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U46:A:1,valid,Kd,=,98,nM,CCCCC[C@H](C=C[C@H]1[C@H]2C[C@@H]([C@@H]1CC=C/CCCC(=O)O)CO2)O,
,,3NHI,,,,,,,
,,,EAH:A:1,valid,,,,,CCCCCC=C/CC=C/C=C/C=CC[C@H](CCCC(=O)O)O,
,,,GOL:A:298,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:299,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3KFF,,,,,,,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,XBT:A:301,valid,,,,,CC[C@@H](C)C1=NCCS1,
,,,ZBT:A:302,valid,,,,,CC[C@H](C)C1=NCCS1,
,,3KFG,,,,,,,
,,,2EH:A:301,valid,,,,,CCCC[C@H](CC)CO,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,,HTX:A:302,valid,,,,,CCCCCC(=O)C,
,,3KFI,,,,,,,
,,,25R:A:301,valid,,,,,Cc1cnc(cn1)C,
,,,CL:A:201,invalid,,,,,[Cl-],
,,,CL:A:202,invalid,,,,,[Cl-],
,,3KFH,,,,,,,
,,,2EH:A:301,valid,,,,,CCCC[C@H](CC)CO,
,,,CL:A:201,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6TQ5,,,,,,,
,,,IPA:A:302,invalid,,,,,CC(C)O,
,,,IPA:C:302,invalid,,,,,CC(C)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,NAP:D:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,2PUY,,,,,,,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:E:1,valid,Kd,~,30,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ZN:A:355,Part of Protein,,,,,[Zn+2],
,,,ZN:A:356,Part of Protein,,,,,[Zn+2],
,,,ZN:B:357,Part of Protein,,,,,[Zn+2],
,,,ZN:B:358,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6MU7,,,,,,,
,,,JYY:G:637,valid,Kd,=,0.002,uM,COc1cnc(c2c1c(c[nH]2)C(=O)C(=O)N3CCC(CC3)C(C#N)c4ccccc4)c5csc(n5)C(=O)NCCO,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:617,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:634,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:613,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:633,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:632,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN:A:1,invalid,,,,,,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,6MTJ,,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:617,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:634,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:613,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:633,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:632,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:703,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,83G:G:637,valid,,,,,C[C@@H]1CN(CCN1C(=O)C(=O)c2c[nH]c3c2c(ccn3)OC)C(=O)c4ccccc4,
,,,NAG NAG BMA MAN MAN MAN:A:1,invalid,,,,,,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,6MTN,,,,,,,
,,,JYJ:G:638,valid,,,,,c1cc(cc(c1)Cl)C2(CC2)C(=O)N3CCN(CC3)C(=O)c4ccsc4,
,,,NAG:B:702,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:617,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:635,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:634,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:613,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:633,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:612,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:611,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:632,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN MAN:C:1,invalid,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(OC4C(O)C(O)C(O)C(CO)O4)C(O)C(COC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,Family. Representative Entry is ,3FPZ,,,,,,,
,,,AHZ:A:1100,valid,,,,,Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,AHZ:B:1101,valid,,,,,Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O,
,,,SO4:A:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:328,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:327,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4Y4L,,,,,,,
,,,48N:A:401,valid,,,,,C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O,
,,,48N:B:401,valid,,,,,C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O,
,,,48N:D:401,valid,,,,,C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O,
,,,48N:C:401,valid,,,,,C[C@@H](C(=O)[C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)/N=C/C(=O)O,
,Family. Representative Entry is ,5N17,,,,,,,
,,,8FK:B:401,valid,Kd,=,4.8,uM,CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4,
,,,8FK:A:401,valid,Kd,=,4.8,uM,CN1c2ccc(cc2Sc3ccccc3C1=O)NC(=O)[C@@H]4CCCO4,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5N16,,,,,,,
,,,NI:A:402,Part of Protein,,,,,[Ni+2],
,,,NI:D:402,Part of Protein,,,,,[Ni+2],
,,,NI:B:401,Part of Protein,,,,,[Ni+2],
,,,NI:C:403,Part of Protein,,,,,[Ni+2],
,,,NI:A:403,invalid,,,,,[Ni+2],
,,,8FN:A:404,valid,Kd,=,5,uM,c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6,
,,,8FN:A:401,valid,Kd,=,5,uM,c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6,
,,,8FN:C:401,valid,Kd,=,5,uM,c1ccc2c(c1)C(=O)N(c3ccc(cc3S2)c4nc(on4)c5cnccn5)C6CC6,
,,,GOL 8FN:C:402,valid,,,,,O(C(CO)CO)N1C(=C2ON=C(c3cc4Sc5c(C(=O)N(C6CC6)c4cc3)cccc5)N2)C=NC=C1,
,Family. Representative Entry is ,2IW1,,,,,,,
,,,U2F:A:900,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)F)O)O,
,,2IV7,,,,,,,
,,,UDP:A:1372,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,5ITZ,,,,,,,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,LOC:B:502,invalid,,,,,CC(=O)N[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,
,Family. Representative Entry is ,4R29,,,,,,,
,,,CIT:C:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:302,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,SAM:D:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:C:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:B:301,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6RRP,,,,,,,
,,,URS:B:601,valid,ic50,=,174.4,uM,c1ccc(cc1)NC(=S)N,
,,,URS:A:601,valid,ic50,=,174.4,uM,c1ccc(cc1)NC(=S)N,
,,,CU:B:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:602,Part of Protein,,,,,[Cu+2],
,,,CU:A:603,Part of Protein,,,,,[Cu+2],
,,,CU:B:603,Part of Protein,,,,,[Cu+2],
,Family. Representative Entry is ,6IYB,,,,,,,
,,,GTP:C:1302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:1302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1301,Part of Protein,,,,,[Mg+2],
,,,MG:C:1301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4P83,,,,,,,
,,,U5P:B:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:C:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:D:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,5KZV,,,,,,,
,,,HCD:A:400,valid,,,,,CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O,
,,5KZY,,,,,,,
,,,CY8:B:1201,valid,,,,,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1,
,,,CY8:A:1201,valid,,,,,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1,
,Family. Representative Entry is ,4GLJ,,,,,,,
,,,RHB:A:302,valid,,,,,CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O,
,,,RHB:A:301,valid,,,,,CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O,
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4ZB6,,,,,,,
,,,GDS:A:300,valid,Kd,=,0.53,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:C:300,valid,Kd,=,0.53,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:B:300,valid,Kd,=,0.53,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:D:300,valid,Kd,=,0.53,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,NA:C:301,invalid,,,,,[Na+],
,,,NA:A:301,invalid,,,,,[Na+],
,,,NA:D:301,invalid,,,,,[Na+],
,,,NA:B:301,invalid,,,,,[Na+],
,Family. Representative Entry is ,6ZPD,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,VIV:A:301,valid,Kd,=,14.25,nM,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,TRS:A:305,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,5MUG,,,,,,,
,,,VIV:A:301,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ETA:A:305,invalid,,,,,C(CO)N,
,,5MUE,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ETA:A:304,invalid,,,,,C(CO)N,
,,,VIV:A:302,valid,,,,,Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C,
,,,CL:A:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5NIU,,,,,,,
,,,8YZ:A:201,valid,,,,,Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O,
,,,8YZ:D:201,valid,,,,,Cc1cc(c(cc1OCc2cccc(c2C)c3ccc4c(c3)OCCO4)OCc5cccc(c5)C#N)CN[C@H](CO)C(=O)O,
,,,EDO:C:201,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,6NOJ,,,,,,,
,,,KW7:A:400,valid,,,,,COC(=O)c1c(c(c[nH]1)c2ccccc2F)N,
,,5J8O,,,,,,,
,,,6GZ:A:201,valid,,,,,Cc1c(cccc1c2ccccc2)COc3ccc(cc3Br)CN4CCCC[C@@H]4C(=O)O,
,,6NM7,,,,,,,
,,,22L:B:201,valid,,,,,c1ccc(cc1)c2csc3c2C(=O)NC=N3,
,Family. Representative Entry is ,4RT1,,,,,,,
,,,C2E:A:201,valid,Kd,=,0.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:201,valid,Kd,=,0.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:201,valid,Kd,=,0.73,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,NA:B:202,Part of Protein,,,,,[Na+],
,,4RT0,,,,,,,
,,,C2E:A:201,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:201,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:201,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:202,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:202,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:C:202,valid,Kd,=,3.13,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6M4P,,,,,,,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,F4O:B:502,valid,,,,,Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=CC=C(C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O,
,,,F4O:A:502,valid,,,,,Cc1c2c(c3c(c1OC(=O)C)c(c(c(c3O)C)OC)C(=O)/C(=C/[C@@](C([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@@H](/C=CC=C(C(=O)N2)/C)C)O)C)O)C(=O)OC)O)C)O)(C)O)/C)O,
,Family. Representative Entry is ,5V3D,,,,,,,
,,,K:B:202,Part of Protein,,,,,[K+],
,,,K:A:202,Part of Protein,,,,,[K+],
,,,MN:A:204,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,FCN:A:205,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,FCN:A:203,valid,,,,,C[C@H]1[C@H](O1)P(=O)(O)O,
,,,PEG:A:201,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5OF9,,,,,,,
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,ANP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,5OFB,,,,,,,
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,Part of Protein,,,,,[Mg+2],
,,,MG:B:704,Part of Protein,,,,,[Mg+2],
,,,ZN:A:701,Part of Protein,,,,,[Zn+2],
,,,ZN:B:701,Part of Protein,,,,,[Zn+2],
,,,ATP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5OKU,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,0L1:A:401,valid,Kd,=,0.55,uM,C(CCC(=O)O)CC(=O)O,
,,,ACY:A:407,invalid,,,,,CC(=O)O,
,,5OEI,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,OOG:A:401,valid,Kd,=,1.6,uM,C(CC(=O)C(=O)O)CC(=O)O,
,Family. Representative Entry is ,6B4H,,,,,,,
,,,IHP:A:603,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:603,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:601,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,MES:A:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:604,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,IHP IHP ZN  ZN :A:602,invalid,,,,,,
,,,ZN:C:606,invalid,,,,,[Zn+2],
,,,IHP ZN :C:602,invalid,,,,,,
,Family. Representative Entry is ,4DOL,,,,,,,
,,,PLM:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4WX0,,,,,,,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,HXD:B:302,valid,,,,,CCCCCCCCC[C@H](CC(=O)O)O,
,,,HXD:A:302,valid,,,,,CCCCCCCCC[C@H](CC(=O)O)O,
,,,PER:A:303,invalid,,,,,[O-][O-],
,,,PER:B:303,invalid,,,,,[O-][O-],
,,4WWZ,,,,,,,
,,,3X1:A:302,valid,,,,,CCCCCCCCC/C=C/C(=O)O,
,,,3X1:B:302,valid,,,,,CCCCCCCCC/C=C/C(=O)O,
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:308,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,FE:A:301,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,OXY:B:303,invalid,,,,,O=O,
,,,PSL:A:303,invalid,,,,,[O-]S(=O)(=O)OS(=O)(=O)[O-],
,,,PSL:B:304,invalid,,,,,[O-]S(=O)(=O)OS(=O)(=O)[O-],
,Family. Representative Entry is ,6C5J,,,,,,,
,,,GP1 Z9M KDO KDO KDO:A:1,valid,Kd,=,68.5,nM,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1)([O-])[O-],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,4M7J,,,,,,,
,,,K:H:302,Part of Protein,,,,,[K+],
,,,NAG:H:301,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PEG:L:301,invalid,,,,,C(COCCO)O,
,,,KDA KDO KDO:A:1,valid,Kd,=,0.781,uM,O=C([O-])C1(OCCC)OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1,
,,6C5H,,,,,,,
,,,NAG FUC:A:1,invalid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(O)C(CO)OC1O)C,
,,,CL:L:301,invalid,,,,,[Cl-],
,,,GP1 Z9M KDO KDO KDO:B:1,valid,Kd,=,370,nM,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1COC1(C(=O)[O-])OC(C(O)CO)C(O)C(OC2(C(=O)[O-])OC(C(O)COC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C(O)C(O)C2)C1)([O-])[O-],
,,,PEG:H:404,invalid,,,,,C(COCCO)O,
,,,PEG:H:405,invalid,,,,,C(COCCO)O,
,,,TAM:H:406,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,PG4:H:403,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,2UYN,,,,,,,
,,,2KT:A:1129,valid,,,,,CCC(=O)C(=O)O,
,,,2KT:B:1129,valid,,,,,CCC(=O)C(=O)O,
,,,2KT:C:1129,valid,,,,,CCC(=O)C(=O)O,
,Family. Representative Entry is ,5TPU,,,,,,,
,,,TYD:D:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:200,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:200,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6VIW,,,,,,,
,,,QYV:A:201,valid,Ki,=,21.6,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,,QYV:C:201,valid,Ki,=,21.6,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,,QYV:B:201,valid,Ki,=,21.6,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4ccc(cc4F)F)S(=O)(=O)C)C,
,,6VIZ,,,,,,,
,,,QYY:C:201,valid,Ki,=,120,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C,
,,,QYY:A:201,valid,Ki,=,120,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C,
,,,QYY:B:201,valid,Ki,=,120,nM,CCNC(=O)c1cc2c([nH]1)C(=O)N(C=C2c3cc(ccc3Oc4c(cccc4C)C)S(=O)(=O)CC)C,
,Family. Representative Entry is ,4PC3,,,,,,,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,4PC6,,,,,,,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,4PC2,,,,,,,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:D:301,invalid,,,,,[Cl-],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,GOL:C:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5SVI,,,,,,,
,,,ZN:B:100,Part of Protein,,,,,[Zn+2],
,,,ZN:A:501,invalid,,,,,[Zn+2],
,,,ALA ARG THR LYS GLN THR ALA ARG:C:92,valid,,,,,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG:D:92,valid,,,,,O=C(NC(C(=O)NC(C=O)CCC(=O)N)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,Family. Representative Entry is ,5BU3,,,,,,,
,,,4W9:D:203,valid,,,,,CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C,
,,,4W9:B:201,valid,,,,,CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C,
,,,4W9:A:203,valid,,,,,CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C,
,,,4W9:C:205,valid,,,,,CC[C@@H]1C[C@@]2(C=C([C@@H](C[C@@]23C(=C(C(=O)[C@@]4([C@@H](CC[C@H]5[C@H]4CCC[C@@H]5O)C[C@H]1O)C)C(=O)N3)O)C)C)C,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4G8R,,,,,,,
,,,96P:B:403,valid,Kd,=,22,nM,c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F,
,,,96P:B:402,valid,Kd,=,22,nM,c1cc(cc(c1)OC(=O)NC[C@@H](COC(=O)c2cc(c(c(c2)O)O)O)OC(=O)c3cc(c(c(c3)O)O)O)C(F)(F)F,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1A7C,,,,,,,
,,,ACE THR VAL ALA SER SER NH2:B:900,valid,Kd,<,100,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)C(C)C)C)CO)CO,
,,,ACE THR VAL ALA SER SER NH2:C:910,valid,Kd,<,100,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)C(C)C)C)CO)CO,
,,,NAG:A:954,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG RIP:D:1,Part of Protein,,,,,,
,Family. Representative Entry is ,5VM0,,,,,,,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:B:201,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,9EG:A:202,valid,Kd,=,1.6,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:B:203,valid,Kd,=,1.6,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,Family. Representative Entry is ,7D2A,,,,,,,
,,,LGU MAW:C:1,valid,,,,,O=C([O-])C=1OC(OC2C(O)C(O)C(O)OC2C(=O)[O-])C(O)C(O)C=1,
,,,CA:A:401,invalid,,,,,[Ca+2],
,,,NA:A:403,invalid,,,,,[Na+],
,,,PG4:A:402,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,4REI,,,,,,,
,,,3MV:A:201,valid,,,,,CC[C@@H](C)C[C@@H](CC)C(C)C,
,Family. Representative Entry is ,3RF4,,,,,,,
,,,ACT:A:120,invalid,,,,,CC(=O)[O-],
,,,ACT:A:121,invalid,,,,,CC(=O)[O-],
,,,ACT:B:121,invalid,,,,,CC(=O)[O-],
,,,ACT:B:122,invalid,,,,,CC(=O)[O-],
,,,ACT:B:123,invalid,,,,,CC(=O)[O-],
,,,ACT:C:121,invalid,,,,,CC(=O)[O-],
,,,ACT:C:122,invalid,,,,,CC(=O)[O-],
,,,FUN:A:201,valid,Ki,=,0.56,uM,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,
,,,FUN:B:202,valid,Ki,=,0.56,uM,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,
,,,FUN:C:203,valid,Ki,=,0.56,uM,c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl,
,,,IMD:A:117,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:117,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:B:118,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:117,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:118,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:118,Part of Protein,,,,,[Zn+2],
,,,ZN:A:119,Part of Protein,,,,,[Zn+2],
,,,ZN:B:119,Part of Protein,,,,,[Zn+2],
,,,ZN:B:120,Part of Protein,,,,,[Zn+2],
,,,ZN:C:119,Part of Protein,,,,,[Zn+2],
,,,ZN:C:120,Part of Protein,,,,,[Zn+2],
,,3RF5,,,,,,,
,,,ACT:A:122,invalid,,,,,CC(=O)[O-],
,,,ACT:A:123,invalid,,,,,CC(=O)[O-],
,,,ACT:A:124,invalid,,,,,CC(=O)[O-],
,,,ACT:C:120,invalid,,,,,CC(=O)[O-],
,,,FUZ:A:202,valid,Ki,=,2.37,uM,c1ccc(c(c1)C(=O)O)NCc2ccco2,
,,,FUZ:B:201,valid,Ki,=,2.37,uM,c1ccc(c(c1)C(=O)O)NCc2ccco2,
,,,FUZ:C:203,valid,Ki,=,2.37,uM,c1ccc(c(c1)C(=O)O)NCc2ccco2,
,,,IMD:A:117,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:A:118,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:C:117,invalid,,,,,c1c[nH+]c[nH]1,
,,,ZN:A:119,Part of Protein,,,,,[Zn+2],
,,,ZN:A:120,Part of Protein,,,,,[Zn+2],
,,,ZN:A:121,Part of Protein,,,,,[Zn+2],
,,,ZN:B:117,Part of Protein,,,,,[Zn+2],
,,,ZN:B:118,Part of Protein,,,,,[Zn+2],
,,,ZN:C:118,Part of Protein,,,,,[Zn+2],
,,,ZN:C:119,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6EIZ,,,,,,,
,,,FOF:F:101,valid,Ki,=,0.6,uM,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C,
,Family. Representative Entry is ,5G0H,,,,,,,
,,,EDO:A:1811,invalid,,,,,C(CO)O,
,,,EDO:A:1808,invalid,,,,,C(CO)O,
,,,EDO:A:1813,invalid,,,,,C(CO)O,
,,,EDO:A:1809,invalid,,,,,C(CO)O,
,,,EDO:A:1814,invalid,,,,,C(CO)O,
,,,EDO:A:1806,invalid,,,,,C(CO)O,
,,,EDO:A:1810,invalid,,,,,C(CO)O,
,,,EDO:A:1807,invalid,,,,,C(CO)O,
,,,EDO:A:1812,invalid,,,,,C(CO)O,
,,,EDO:A:1805,invalid,,,,,C(CO)O,
,,,ZN:A:1804,Part of Protein,,,,,[Zn+2],
,,,K:A:1802,Part of Protein,,,,,[K+],
,,,K:A:1803,Part of Protein,,,,,[K+],
,,,E1Z:A:1801,valid,ic50,=,9.88,nM,C[C@@H](/C=C(C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C,
,,5G0I,,,,,,,
,,,K:A:1805,Part of Protein,,,,,[K+],
,,,K:B:1804,Part of Protein,,,,,[K+],
,,,K:B:1807,Part of Protein,,,,,[K+],
,,,K:A:1806,Part of Protein,,,,,[K+],
,,,K:A:1804,Part of Protein,,,,,[K+],
,,,K:B:1806,Part of Protein,,,,,[K+],
,,,K:A:1807,Part of Protein,,,,,[K+],
,,,K:B:1805,Part of Protein,,,,,[K+],
,,,EDO:B:1810,invalid,,,,,C(CO)O,
,,,EDO:A:1811,invalid,,,,,C(CO)O,
,,,ZN:B:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1803,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1803,Part of Protein,,,,,[Zn+2],
,,,CL:A:1810,invalid,,,,,[Cl-],
,,,N4R:B:1809,valid,,,,,CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2,
,,,N4R:B:1808,valid,,,,,CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2,
,,,N4R:A:1808,valid,,,,,CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2,
,,,N4R:A:1809,valid,,,,,CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2,
,Family. Representative Entry is ,5CI9,,,,,,,
,,,549:A:401,valid,,,,,CC(C)n1cnc2c1ccc(c2)C(=O)O,
,,,549:A:402,valid,,,,,CC(C)n1cnc2c1ccc(c2)C(=O)O,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,4OES,,,,,,,
,,,SO4:A:604,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:605,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:603,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:606,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:608,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:607,invalid,,,,,C(C(CO)O)O,
,,,FE:A:602,invalid,,,,,[Fe+3],
,,,EDT:A:601,valid,,,,,C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O,
,Family. Representative Entry is ,6L8P,,,,,,,
,,,MLI:B:201,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:201,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:C:201,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5JCM,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ISD:B:502,valid,,,,,C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ISD:A:502,valid,,,,,C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5JCI,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5JCN,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,NAD:B:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,ASC:A:502,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ASC:B:502,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5JCL,,,,,,,
,,,NDP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,FAD:B:502,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,5JCK,,,,,,,
,,,NAD:A:501,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5EZ7,,,,,,,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2XEM,,,,,,,
,,,SSV:B:1145,valid,,,,,CC=CC=CC=CC=CC=CC=CC(=O)C,
,Family. Representative Entry is ,3CNL,,,,,,,
,,,GNP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,3CNN,,,,,,,
,,,GTP:A:263,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,3CNO,,,,,,,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5VEG,,,,,,,
,,,NA:C:202,Part of Protein,,,,,[Na+],
,,,NA:B:204,Part of Protein,,,,,[Na+],
,,,NA:C:203,Part of Protein,,,,,[Na+],
,,,NA:C:205,Part of Protein,,,,,[Na+],
,,,NA:A:203,Part of Protein,,,,,[Na+],
,,,NA:C:204,Part of Protein,,,,,[Na+],
,,,CD:B:203,invalid,,,,,[Cd+2],
,,,CD:B:202,invalid,,,,,[Cd+2],
,,,CD:A:202,invalid,,,,,[Cd+2],
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6ZYL,,,,,,,
,,,TLA:A:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,4U7W,,,,,,,
,,,NDP:B:1601,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:A:1601,valid,Kd,=,45,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,ACT:B:1602,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1602,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6BHQ,,,,,,,
,,,GOL:A:509,invalid,,,,,C(C(CO)O)O,
,,,NAG NAG FUL BMA MAN MAN NAG GAL:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)COC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,,,NAG NAG FUL BMA MAN MAN NAG GAL:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)COC3COC3C(O)C(O)C(O)C(C)O3)OC2CO)O1)C,
,Family. Representative Entry is ,6GD6,,,,,,,
,,,GLU:A:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,5KLU,,,,,,,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,6UZ:A:202,valid,,,,,C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,6UZ:B:202,valid,,,,,C=CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O,
,,,GLU:B:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,5T7H,,,,,,,
,,,HEM:B:205,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:203,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:205,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:204,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZE7:D:202,valid,,,,,C1CCC(CC1)CCCCCCO,
,,,ZE7:B:204,valid,,,,,C1CCC(CC1)CCCCCCO,
,,,ZE7:C:203,valid,,,,,C1CCC(CC1)CCCCCCO,
,,,ZE7:A:204,valid,,,,,C1CCC(CC1)CCCCCCO,
,,6S8Y,,,,,,,
,,,ACT:A:205,invalid,,,,,CC(=O)[O-],
,,,ACT:A:204,invalid,,,,,CC(=O)[O-],
,,,L0T:A:207,valid,,,,,CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O,
,,,L0T:A:206,valid,,,,,CC(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc3cccc4c3nc(cc4S(=O)(=O)[O-])C(=O)Nc5cccc6c5nc(cc6S(=O)(=O)[O-])C(=O)Nc7cccc8c7nc(cc8S(=O)(=O)[O-])C(=O)Nc9cccc1c9nc(cc1S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)Nc1cccc2c1nc(cc2S(=O)(=O)[O-])C(=O)O,
,,,ZN:A:208,invalid,,,,,[Zn+2],
,,,ZN:A:203,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6GD7,,,,,,,
,,,GLU:A:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,6RSJ,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:211,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:212,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:210,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:213,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:209,invalid,,,,,C(C(CO)O)O,
,,,EVB:A:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,SPM:A:205,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:206,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6GD8,,,,,,,
,,,GLU:C:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:A:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:D:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,EVB:B:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:C:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,HEC:C:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:D:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6RSI,,,,,,,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,EVB:A:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,GOL:A:206,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:205,invalid,,,,,C(C(CO)O)O,
,,6EGZ,,,,,,,
,,,GLU:A:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:103,invalid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,B4X:B:203,valid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,B4X:B:204,valid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,B4X:B:202,valid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,B4X:A:202,valid,,,,,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc1c2cc(cc1Cc3cc(cc(c3O)Cc4cc(cc(c4OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O,
,,,NA:A:205,invalid,,,,,[Na+],
,,,NA:A:204,invalid,,,,,[Na+],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6RSL,,,,,,,
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EVB:B:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:B:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:B:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,SPM:B:208,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:206,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:208,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:205,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:206,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:207,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:207,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:205,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6RSK,,,,,,,
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:210,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SPM:A:211,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:211,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:A:212,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,SPM:B:210,invalid,,,,,C(CCNCCCN)CNCCCN,
,,,EVB:B:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:B:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:204,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:A:203,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,EVB:B:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,6SUY,,,,,,,
,,,SO4:A:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:203,invalid,,,,,[Na+],
,,,NA:B:203,invalid,,,,,[Na+],
,,,LVT:B:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O,
,,,LVT:A:202,valid,,,,,c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O)(=O)O,
,,,HEC:A:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,,,HEC:B:201,Part of Protein,,,,,CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C,
,Family. Representative Entry is ,6FS0,,,,,,,
,,,E4W:A:401,valid,Kd,=,0.00017,uM,Cc1c-2c(nn1C)CSCc3cc(n(n3)C)CSc4cc5ccccc5c(c4)OCCCc6c7ccc(c2c7n(c6C(=O)O)C)Cl,
,,5MES,,,,,,,
,,,7LT:A:401,valid,Kd,=,0.34,uM,CN1CCCN[C@H](CC(=O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)N[C@@H](CC1=O)Cc4ccc(c(c4)CCc5ccccc5)Cl)Cc6ccc(cc6)Cl,
,Family. Representative Entry is ,6IF2,,,,,,,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,GTP:B:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5KVS,,,,,,,
,,,NAP:B:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,6XR:B:402,valid,,,,,c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O,
,,,6XR:A:402,valid,,,,,c1ccc(c(c1)c2nc(cs2)C3=N[C@@H](CS3)C(=O)O)O,
,,,FMT:B:404,invalid,,,,,C(=O)O,
,,,FMT:A:404,invalid,,,,,C(=O)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,5KVQ,,,,,,,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:B:401,invalid,,,,,C(CO)O,
,,,NAP:B:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:A:402,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,7BQO,,,,,,,
,,,F56:A:501,valid,,,,,C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O,
,,,IMD:A:502,invalid,,,,,c1c[nH+]c[nH]1,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,B3P:A:504,invalid,,,,,C(CNC(CO)(CO)CO)CNC(CO)(CO)CO,
,Family. Representative Entry is ,5WOU,,,,,,,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:A:105,invalid,,,,,C(CO)O,
,,,EDO:A:104,invalid,,,,,C(CO)O,
,,,EDO:A:106,invalid,,,,,C(CO)O,
,,,EDO:A:107,invalid,,,,,C(CO)O,
,,,LEU PRO SER PHE GLU THR ALA LEU:V:98,valid,Kd,=,664,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CC(C)C)CCC1)CO)Cc1ccccc1)CCC(=O)[O-])C(O)C)C)CC(C)C,
,,,PGE:A:108,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,5L83,,,,,,,
,,,ASP TRP GLU ILE VAL:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])C(CC)C)C(C)C,
,,,ASP TRP GLU ILE VAL:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CCC(=O)[O-])C(CC)C)C(C)C,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6XW7,,,,,,,
,,,CHO:E:603,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:A:603,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:B:601,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,CHO:F:900,valid,,,,,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,EDO:E:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:H:700,invalid,,,,,C(CO)O,
,,,EDO:D:700,invalid,,,,,C(CO)O,
,,,EDO:G:700,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:C:700,invalid,,,,,C(CO)O,
,,,EDO:E:601,invalid,,,,,C(CO)O,
,,,MG:B:602,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5JJU,,,,,,,
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:A:1001,Part of Protein,,,,,[Mn+2],
,,,MN:B:1001,Part of Protein,,,,,[Mn+2],
,,,AMP:B:1004,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:1003,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,A   A  :C:1003,valid,,,,,,
,Family. Representative Entry is ,5GZK,,,,,,,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,1PE:B:505,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BGC:A:503,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC BGC BGC:D:1,valid,Ki,=,1.9,mM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC:C:1,valid,Ki,=,1.9,mM,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,PG4:A:504,invalid,,,,,C(COCCOCCOCCO)O,
,,,K:A:502,Part of Protein,,,,,[K+],
,,,K:B:502,Part of Protein,,,,,[K+],
,,,CL:B:503,invalid,,,,,[Cl-],
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2R7G,,,,,,,
,,,PRO PRO THR LEU HIS GLU LEU TYR ASP LEU:B:40,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)[O-])Cc1nc[nH]c1)CC(C)C)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)C(O)C,
,,,PRO PRO THR LEU HIS GLU LEU TYR ASP LEU:D:40,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)[O-])Cc1nc[nH]c1)CC(C)C)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)C(O)C,
,,,PRO PRO THR LEU HIS GLU LEU TYR ASP LEU:E:40,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])Cc1ccc(O)cc1)CC(C)C)CCC(=O)[O-])Cc1nc[nH]c1)CC(C)C)C(NC(=O)C1N(C(=O)C2[NH2+]CCC2)CCC1)C(O)C,
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6SSG,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LUK:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NOC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O,
,,,LUK:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NOC[C@@H]2C(=O)N[C@@H](C(=O)N2)CON)O,
,,6SSF,,,,,,,
,,,LUH:B:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NOC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O,
,,,LUH:A:502,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=NOC[C@H]2C(=O)N[C@H](C(=O)N2)CON)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6SSE,,,,,,,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PMP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,3OQJ,,,,,,,
,,,3CX:A:258,valid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:B:258,valid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,Family. Representative Entry is ,3FKQ,,,,,,,
,,,2PE:A:356,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,2PE:A:357,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:355,invalid,,,,,[Cl-],
,,,GOL:A:358,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:359,invalid,,,,,C(C(CO)O)O,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,SO4:A:360,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MN7,,,,,,,
,,,SME:B:500,valid,,,,,C[S@@](=O)CC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5H06,,,,,,,
,,,CA:A:702,Part of Protein,,,,,[Ca+2],
,,,CA:D:703,Part of Protein,,,,,[Ca+2],
,,,CA:D:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:703,Part of Protein,,,,,[Ca+2],
,,,CA:A:703,Part of Protein,,,,,[Ca+2],
,,,CA:B:702,Part of Protein,,,,,[Ca+2],
,,,CA:C:702,Part of Protein,,,,,[Ca+2],
,,,GLC GLC:H:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:G:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6CJL,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,RDC:A:301,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,,RDC:B:301,valid,,,,,C[C@@H]1C[C@@H]2[C@H](O2)C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1,
,,6CJS,,,,,,,
,,,2GJ:A:301,valid,,,,,CCNC(=O)c1c(c(on1)c2cc(c(cc2O)O)C(C)C)c3ccc(cc3)CN4CCOCC4,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,6CJR,,,,,,,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,E0G:A:301,valid,,,,,CC1(Cc2c(c(nn2c3ccc(c(c3)NC4CCC(CC4)O)C(=O)N)C(F)(F)F)C(=O)C1)C,
,,6CJJ,,,,,,,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,ADP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5YRF,,,,,,,
,,,GLC GLC:A:201,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5LW0,,,,,,,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,AR6:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,4FEM,,,,,,,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC:B:1,valid,Kd,=,86.96,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,3M89,,,,,,,
,,,GSP:A:408,valid,Kd,=,0.69,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4R9W,,,,,,,
,,,ZDO IDS SUS BDP SGN:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(O)C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(O)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(OS(=O)(=O)[O-])C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,5JBQ,,,,,,,
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6FI2,,,,,,,
,,,DJB DJB DJE:B:1,valid,,,,,O=C(OC1C(OC2C(NC(=O)C)C(O)C(O)C(C(=O)[O-])O2)C(C(=O)[O-])OC(OC2C(OC(=O)C)C(NC(=O)C)C(O)OC2C(=O)[O-])C1NC(=O)C)C,
,,,MLI:A:501,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,Family. Representative Entry is ,5N70,,,,,,,
,,,ALA PHE ARG ILE PRO LEU THR ARG:B:5,valid,Kd,~,3,nM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc2ccccc2)CCCNC(=[NH2+])N)C(CC)C)CCC1)CC(C)C)C(O)C)CCCNC(=[NH2+])N,
,,5N7Q,,,,,,,
,,,IVA VAL VAL STA ALA STA:I:501,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,IVA VAL VAL STA ALA STA:J:501,valid,,,,,O=C(NC(C=O)C(C)C)C([NH3+])C(C)C.O=C([O-])CC(O)C([NH3+])CC(C)C.O=CC([NH3+])C.O=CCC(O)C([NH3+])CC(C)C.O=CCC(C)C,
,,,PEG:A:401,invalid,,,,,C(COCCO)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4XAC,,,,,,,
,,,IMD:A:302,invalid,,,,,c1c[nH+]c[nH]1,
,,,AKG:A:303,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NI:A:301,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5K62,,,,,,,
,,,ASN VAL:A:501,valid,,,,,O=C(NC(C=O)C(C)C)C(N)CC(=O)N,
,,5K66,,,,,,,
,,,ASN GLU:A:501,valid,,,,,O=C(NC(C=O)CCC(=O)[O-])C(N)CC(=O)N,
,,5K61,,,,,,,
,,,GLN:A:501,valid,,,,,C(CC(=O)N)[C@@H](C(=O)O)N,
,,5K60,,,,,,,
,,,GLN VAL:A:501,valid,,,,,O=C(NC(C=O)C(C)C)C(N)CCC(=O)N,
,,5K63,,,,,,,
,,,ASN GLY:A:501,valid,,,,,O=C(NCC=O)C(N)CC(=O)N,
,Family. Representative Entry is ,4IIL,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,K:A:404,Part of Protein,,,,,[K+],
,,,RBF:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,Family. Representative Entry is ,5C9J,,,,,,,
,,,DAO:A:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:A:302,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,PO4:A:308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:306,invalid,,,,,C(C(CO)O)O,
,,,STE:A:303,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6J17,,,,,,,
,,,MG:A:1402,Part of Protein,,,,,[Mg+2],
,,,ATP:A:1401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2P1O,,,,,,,
,,,IHP:B:701,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,NLA:B:801,valid,,,,,c1ccc2c(c1)cccc2CC(=O)O,
,,2P1N,,,,,,,
,,,CFA:B:602,valid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)O,
,,,CFA:E:602,valid,,,,,c1cc(c(cc1Cl)Cl)OCC(=O)O,
,,,IHP:B:601,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:E:601,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,2P1Q,,,,,,,
,,,IAC:B:901,valid,,,,,c1ccc2c(c1)c(c[nH]2)CC(=O)O,
,,,IHP:B:801,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6IE8,,,,,,,
,,,CHD:A:201,valid,Kd,=,60.5,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,SO4:A:200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3VW1,,,,,,,
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CVI:B:301,valid,,,,,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,CVI:D:301,valid,,,,,CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C,
,,,CL:A:202,invalid,,,,,[Cl-],
,,3VW2,,,,,,,
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BER:B:301,valid,,,,,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,,BER:D:301,valid,,,,,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,,BER:C:301,valid,,,,,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,,BER:A:301,valid,,,,,COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5,
,,3VVY,,,,,,,
,,,ET:A:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:B:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:D:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:C:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,6KO9,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,XZ1:A:201,valid,,,,,COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F,
,,,XZ1:D:201,valid,,,,,COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F,
,,,XZ1:C:201,valid,,,,,COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F,
,,,XZ1:B:201,valid,,,,,COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F,
,,6IE9,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,JN3:A:200,valid,Kd,=,65.3,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,6KO7,,,,,,,
,,,ET:A:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:D:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:B:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,ET:C:301,valid,,,,,CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N,
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6KO8,,,,,,,
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CHD:A:201,valid,,,,,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,2CBO,,,,,,,
,,,SO4:A:117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TH2:A:120,valid,Kd,=,40.15,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C,
,,,TH2:A:121,valid,Kd,=,40.15,uM,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC(=O)O)CCC4=CC(=O)CC[C@]34C,
,,1NCO,,,,,,,
,,,CHR:B:114,valid,,,,,Cc1cc(cc2c1ccc(c2C(=O)O[C@@H]3C=C4C#C[C@]5([C@H](O5)C#CC=C4[C@H]3O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O)NC)[C@H]7COC(=O)O7)O)OC,
,,,MRD:A:114,invalid,,,,,C[C@H](CC(C)(C)O)O,
,Family. Representative Entry is ,4IKN,,,,,,,
,,,SER ASP TYR GLN ARG LEU:B:1,valid,Kd,=,14,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1ccc(O)cc1)CCC(=O)N)CCCNC(=[NH2+])N)CC(C)C,
,Family. Representative Entry is ,5ENQ,,,,,,,
,,,5QE:C:901,valid,,,,,C[C@@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C)C#N)CC(OC3)(C)C,
,,5ENT,,,,,,,
,,,PEG:C:902,invalid,,,,,C(COCCO)O,
,,,MIY:C:901,valid,,,,,CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O,
,,5ENR,,,,,,,
,,,MBX:C:901,valid,,,,,C[C@H]1CN(C[C@@H](O1)C)c2c3c(c(c(n2)SCCc4ccc(cc4)NC(=O)C=C)C#N)CC(OC3)(C)C,
,,5ENO,,,,,,,
,,,5QG:C:901,valid,,,,,CC1(Cc2c(c(nc(c2C#N)SCCc3ccccc3)N4CCOCC4)CO1)C,
,,5ENP,,,,,,,
,,,5QF:C:901,valid,,,,,CC1(Cc2c(c(nc(c2C#N)SCCc3ccc(c(c3)OC)OC)N4CCN(CC4)CCOC)CO1)C,
,Family. Representative Entry is ,3CKJ,,,,,,,
,,,CIT:A:331,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,MRD:A:332,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:333,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:A:334,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,PO4:A:330,invalid,,,,,[O-]P(=O)([O-])[O-],
,,3CKO,,,,,,,
,,,GOL:A:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:331,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3CKV,,,,,,,
,,,GOL:A:332,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:333,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:330,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:331,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,3CKN,,,,,,,
,,,MN:A:330,Part of Protein,,,,,[Mn+2],
,,,SO4:A:331,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UDP:A:332,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,4TR1,,,,,,,
,,,GSH:A:101,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:101,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4TR0,,,,,,,
,,,ACT:A:100,invalid,,,,,CC(=O)[O-],
,,,ACT:B:100,invalid,,,,,CC(=O)[O-],
,,,GDS:B:101,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GDS:A:101,valid,,,,,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3GPO,,,,,,,
,,,APR:A:161,valid,Kd,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:161,valid,Kd,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:C:161,valid,Kd,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:D:161,valid,Kd,=,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,3GPQ,,,,,,,
,,,A   A   A  :E:1,valid,,,,,,
,,,A   A   A  :F:1,valid,,,,,,
,Family. Representative Entry is ,4J0Q,,,,,,,
,,,MG:C:401,Part of Protein,,,,,[Mg+2],
,,,MG:E:401,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:D:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,,,GDP:C:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:E:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MES:E:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MPD:A:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:E:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:403,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6C74,,,,,,,
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,PC:A:201,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,Family. Representative Entry is ,2DVZ,,,,,,,
,,,CD:A:1001,invalid,,,,,[Cd+2],
,,,CD:A:1002,invalid,,,,,[Cd+2],
,,,CD:A:1003,invalid,,,,,[Cd+2],
,,,CD:A:1004,invalid,,,,,[Cd+2],
,,,CD:A:1005,invalid,,,,,[Cd+2],
,,,GLU:A:1055,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2RIF,,,,,,,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CS:A:139,invalid,,,,,[Cs+],
,,,CS:A:140,invalid,,,,,[Cs+],
,,,CS:B:139,invalid,,,,,[Cs+],
,,,CS:B:140,invalid,,,,,[Cs+],
,,,CS:B:141,invalid,,,,,[Cs+],
,,,CS:B:142,invalid,,,,,[Cs+],
,,,CS:C:139,invalid,,,,,[Cs+],
,,,CS:C:140,invalid,,,,,[Cs+],
,,,CS:C:141,invalid,,,,,[Cs+],
,,,CS:D:139,invalid,,,,,[Cs+],
,,,CS:D:140,invalid,,,,,[Cs+],
,Family. Representative Entry is ,6B3P,,,,,,,
,,,EDO:B:414,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:B:411,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:B:412,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:B:413,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:B:409,invalid,,,,,C(CO)O,
,,,EDO:B:415,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:B:410,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,FMT:A:421,invalid,,,,,C(=O)O,
,,,FMT:A:418,invalid,,,,,C(=O)O,
,,,FMT:B:424,invalid,,,,,C(=O)O,
,,,FMT:B:417,invalid,,,,,C(=O)O,
,,,FMT:B:418,invalid,,,,,C(=O)O,
,,,FMT:B:423,invalid,,,,,C(=O)O,
,,,FMT:B:425,invalid,,,,,C(=O)O,
,,,FMT:B:421,invalid,,,,,C(=O)O,
,,,FMT:A:417,invalid,,,,,C(=O)O,
,,,FMT:B:416,invalid,,,,,C(=O)O,
,,,FMT:A:416,invalid,,,,,C(=O)O,
,,,FMT:A:423,invalid,,,,,C(=O)O,
,,,FMT:B:420,invalid,,,,,C(=O)O,
,,,FMT:B:419,invalid,,,,,C(=O)O,
,,,FMT:A:424,invalid,,,,,C(=O)O,
,,,FMT:A:419,invalid,,,,,C(=O)O,
,,,FMT:B:422,invalid,,,,,C(=O)O,
,,,FMT:A:420,invalid,,,,,C(=O)O,
,,,FMT:A:422,invalid,,,,,C(=O)O,
,,,GLC GLC GLC GLC:F:1,valid,Kd,=,0.0005,M,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:C:1,valid,Kd,=,0.0005,M,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC:D:1,valid,Kd,=,0.0005,M,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:E:1,valid,Kd,=,0.0005,M,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,3A27,,,,,,,
,,,SAM:A:250,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6BWQ,,,,,,,
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,invalid,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:501,invalid,,,,,[Mn+2],
,,,CTP:B:504,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:A:504,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CL:B:506,invalid,,,,,[Cl-],
,,,CL:A:505,invalid,,,,,[Cl-],
,,,CL:B:505,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6W6Z,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6W72,,,,,,,
,,,FMN:A:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,4V03,,,,,,,
,,,ADP:A:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3WHB,,,,,,,
,,,DCC:A:201,valid,,,,,CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3WHC,,,,,,,
,,,ST9:F:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:C:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:B:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:D:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:E:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ST9:A:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3FS8,,,,,,,
,,,ACO:A:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,TDR:A:301,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:B:301,valid,,,,,CC1=CNC(=O)NC1=O,
,,3FSC,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,T3F:A:301,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3F:B:301,valid,,,,,C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,3FSB,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,T3Q:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,,,T3Q:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N)O,
,Family. Representative Entry is ,1AUX,,,,,,,
,,,AGS:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,AGS:B:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,CA:A:801,Part of Protein,,,,,[Ca+2],
,,,CA:B:801,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,6O9U,,,,,,,
,,,PCW:A:415,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,PCW:A:416,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,,,K:A:410,invalid,,,,,[K+],
,,,K:A:407,Part of Protein,,,,,[K+],
,,,K:A:404,invalid,,,,,[K+],
,,,K:A:406,Part of Protein,,,,,[K+],
,,,K:A:411,invalid,,,,,[K+],
,,,K:A:408,invalid,,,,,[K+],
,,,K:A:405,Part of Protein,,,,,[K+],
,,,K:A:412,invalid,,,,,[K+],
,,,K:A:409,invalid,,,,,[K+],
,,,Z3P:A:417,valid,,,,,C(CP(=O)(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,TMO:A:402,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:401,valid,,,,,C[N+](C)(C)[O-],
,,,TMO:A:403,valid,,,,,C[N+](C)(C)[O-],
,,,BA:A:413,Part of Protein,,,,,[Ba+2],
,,,CL:A:414,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4K6B,,,,,,,
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GLU:A:401,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:B:401,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,,,GLU:C:401,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4YLU,,,,,,,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:403,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,,,R30:A:401,valid,,,,,CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,
,,,R30:D:401,valid,,,,,CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,
,,,R30:B:401,valid,,,,,CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,
,,,R30:C:401,valid,,,,,CCC(=O)Nc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4nn3,
,Family. Representative Entry is ,4OHY,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,2PE:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,G   C  :B:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3N=C(N)NC(=O)c3nc2)OC1CO)[O-],
,,4OHZ,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,G   A   A   A  :B:1,valid,,,,,,
,,,2PE:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,SAR:A:503,invalid,,,,,CNCC(=O)O,
,,4OI0,,,,,,,
,,,SAR:A:505,invalid,,,,,CNCC(=O)O,
,,,SAR:A:504,invalid,,,,,CNCC(=O)O,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,ADP ALF:A:501,valid,,,,,,
,,,2PE:A:506,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,G   C  :B:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3N=C(N)NC(=O)c3nc2)OC1CO)[O-],
,,4OHW,,,,,,,
,,,2PE:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,ATP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,4OHV,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,2PE:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,4OI1,,,,,,,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,2PE:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,ADP ALF:A:501,valid,,,,,,
,,,G   C  :B:1,valid,,,,,P(=O)(OCC1C(O)C(O)C(N2C(=O)N=C(N)C=C2)O1)(OC1C(O)C(n2c3N=C(N)NC(=O)c3nc2)OC1CO)[O-],
,,4OHX,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,2PE:A:503,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,3D2U,,,,,,,
,,,ALA LEU PRO HIS ALA ILE LEU ARG LEU:C:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCC1)Cc1nc[nH]c1)C)C(CC)C)CC(C)C)CCCNC(=[NH2+])N)CC(C)C,
,,,ALA LEU PRO HIS ALA ILE LEU ARG LEU:G:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])C)CC(C)C)CCC1)Cc1nc[nH]c1)C)C(CC)C)CC(C)C)CCCNC(=[NH2+])N)CC(C)C,
,,,BMA:A:813,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,FUC:A:814,invalid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,MAN:A:812,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:A:861,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:871,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:891,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:810,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:861,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:871,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:891,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:A:810,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:A:831,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:831,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,6EWR,,,,,,,
,,,PMP:A:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:D:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:500,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,4B2H,,,,,,,
,,,C3F:A:103,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CCCNC(=O)O,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:104,invalid,,,,,[Na+],
,,,NA:A:101,invalid,,,,,[Na+],
,,,MG:A:105,Part of Protein,,,,,[Mg+2],
,,,CL:A:106,invalid,,,,,[Cl-],
,,4B2J,,,,,,,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:102,invalid,,,,,[Mg+2],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,RBF:A:1067,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,NA:A:103,invalid,,,,,[Na+],
,,4B2M,,,,,,,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:102,invalid,,,,,[Mg+2],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,RBF:A:1067,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,NA:A:103,invalid,,,,,[Na+],
,,4B2K,,,,,,,
,,,MG:A:101,Part of Protein,,,,,[Mg+2],
,,,MG:A:102,invalid,,,,,[Mg+2],
,,,SO4:A:300,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,RBF:A:1067,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O,
,,,NA:A:103,invalid,,,,,[Na+],
,Family. Representative Entry is ,2PFY,,,,,,,
,,,PCA:A:302,valid,Kd,=,0.3,uM,C1CC(=O)N[C@@H]1C(=O)O,
,,,PCA:B:302,valid,Kd,=,0.3,uM,C1CC(=O)N[C@@H]1C(=O)O,
,,,PCA:C:302,valid,Kd,=,0.3,uM,C1CC(=O)N[C@@H]1C(=O)O,
,,,PCA:D:302,valid,Kd,=,0.3,uM,C1CC(=O)N[C@@H]1C(=O)O,
,Family. Representative Entry is ,2JAC,,,,,,,
,,,GSH:A:1000,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,5W3Y,,,,,,,
,,,ACO:D:502,valid,Kd,=,57.2,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:A:502,valid,Kd,=,57.2,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:502,valid,Kd,=,57.2,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:502,valid,Kd,=,57.2,uM,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,IHP:D:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,5W3T,,,,,,,
,,,IHP:A:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:D:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:501,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2EI4,,,,,,,
,,,22B:A:270,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,GLC L2P:A:281,invalid,,,,,,
,,,RET:A:260,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,2Z55,,,,,,,
,,,22B:A:270,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,22B:B:270,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,22B:D:270,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,22B:E:270,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,GLC L2P MAN GAL:F:1,invalid,,,,,,
,,,GLC L2P MAN GAL:G:1,invalid,,,,,,
,,,GLC L2P MAN GAL:H:1,invalid,,,,,,
,,,GLC L2P MAN GAL:C:1,invalid,,,,,,
,,,RET:A:260,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:B:260,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:D:260,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:E:260,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,5CSD,,,,,,,
,,,ACD:D:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:202,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:A:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:A:202,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:C:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,GOL:D:200,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:200,invalid,,,,,C(C(CO)O)O,
,,5FB7,,,,,,,
,,,ACD:C:202,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:202,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:D:301,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:A:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:B:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:A:202,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:C:201,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,,,ACD:D:302,valid,Kd,=,0.000000064,M,CCCCCC=C/CC=C/CC=C/CC=C/CCCC(=O)O,
,Family. Representative Entry is ,6X23,,,,,,,
,,,LEU PRO PRO PRO GLU SER GLU SER LYS VAL:B:4,valid,ic50,=,3.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CCC(=O)[O-])CO)CCC(=O)[O-])CO)CCCC[NH3+])C(C)C,
,Family. Representative Entry is ,4OWK,,,,,,,
,,,NGA:C:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:A:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:G:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:D:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:E:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:F:501,valid,Kd,=,131,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:F:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:502,invalid,,,,,C(C(CO)O)O,
,,4OWL,,,,,,,
,,,GOL:E:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:503,invalid,,,,,C(C(CO)O)O,
,,,GAL:G:501,valid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,NAG GAL:I:1,valid,Kd,=,152,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:H:1,valid,Kd,=,152,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:L:1,valid,Kd,=,152,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:K:1,valid,Kd,=,152,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL:J:1,valid,Kd,=,152,uM,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,5EO8,,,,,,,
,,,TFU:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,,TFU:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,,TFU:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,,TFU:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,,TFU:A:406,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,,TFU:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)[Se]C)O)O)O,
,,5H47,,,,,,,
,,,FSW:G:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:G:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:G:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:C:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:G:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:I:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:G:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:J:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:F:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:K:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:B:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1003,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:D:1001,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:H:1006,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:E:1005,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:A:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:G:1002,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,,FSW:L:1004,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)[Se]C)O)O,
,,5EO7,,,,,,,
,,,SFU:A:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:401,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:C:403,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:A:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:405,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:402,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SFU:B:404,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O,
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6KY9,,,,,,,
,,,UMP:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:B:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,6LJ3,,,,,,,
,,,DUP:A:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,DUP:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(N[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:A:203,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,,6LIS,,,,,,,
,,,UMP:C:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:E:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:F:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:D:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,2HZQ,,,,,,,
,,,STR:A:300,valid,Kd,~,1,uM,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,
,Family. Representative Entry is ,6I3V,,,,,,,
,,,MYR:B:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:F:201,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,CL:B:208,invalid,,,,,[Cl-],
,,,CL:C:101,invalid,,,,,[Cl-],
,,,CL:B:206,invalid,,,,,[Cl-],
,,,CL:B:212,invalid,,,,,[Cl-],
,,,CL:F:204,invalid,,,,,[Cl-],
,,,CL:B:207,invalid,,,,,[Cl-],
,,,CL:F:202,invalid,,,,,[Cl-],
,,,CL:B:210,invalid,,,,,[Cl-],
,,,CL:F:203,invalid,,,,,[Cl-],
,,,CL:B:213,invalid,,,,,[Cl-],
,,,CL:B:211,invalid,,,,,[Cl-],
,,,CL:B:209,invalid,,,,,[Cl-],
,,,CL:B:205,invalid,,,,,[Cl-],
,,,NA:B:204,invalid,,,,,[Na+],
,,,NA:B:203,invalid,,,,,[Na+],
,,,NA:B:202,invalid,,,,,[Na+],
,Family. Representative Entry is ,3X0Y,,,,,,,
,,,FMN:C:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,3MHA,,,,,,,
,,,Z69:A:1,valid,,,,,CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)OC[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCCCC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O)O)O)O,
,Family. Representative Entry is ,2X3J,,,,,,,
,,,ATP:A:1589,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1588,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:1591,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1592,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1593,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1590,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1591,invalid,,,,,C(C(CO)O)O,
,,,MG:A:1590,Part of Protein,,,,,[Mg+2],
,,,MG:B:1589,Part of Protein,,,,,[Mg+2],
,,,X3J:B:1592,valid,,,,,C(CNC(=O)C[C@](CC(=O)O)(C(=O)O)O)N,
,,2W02,,,,,,,
,,,ATP:A:1588,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1588,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1589,Part of Protein,,,,,[Mg+2],
,,,MG:B:1589,Part of Protein,,,,,[Mg+2],
,,,SER:B:1590,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,2UWN,,,,,,,
,,,ACT:A:1509,invalid,,,,,CC(=O)[O-],
,,,CL:A:1510,invalid,,,,,[Cl-],
,,,CL:A:1511,invalid,,,,,[Cl-],
,,,SO4:A:1512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1513,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1514,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GU4 YYJ:B:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,2V8E,,,,,,,
,,,CL:A:1508,invalid,,,,,[Cl-],
,,,CL:A:1509,invalid,,,,,[Cl-],
,,,GOL:A:1513,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1512,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GU4 YYJ:B:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,4DFB,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,KAN:A:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,,,KAN:B:401,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N,
,Family. Representative Entry is ,5XVR,,,,,,,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRH:A:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:B:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,5WXI,,,,,,,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,,,TRH:B:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,TRH:A:401,valid,,,,,C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)O,
,,,BME:B:402,invalid,,,,,C(CS)O,
,,,BME:A:403,invalid,,,,,C(CS)O,
,,,BME:B:403,invalid,,,,,C(CS)O,
,,,BME:A:404,invalid,,,,,C(CS)O,
,,,BME:A:402,invalid,,,,,C(CS)O,
,,,BME:B:404,invalid,,,,,C(CS)O,
,Family. Representative Entry is ,6IAM,,,,,,,
,,,K:A:401,Part of Protein,,,,,[K+],
,,,K:A:403,Part of Protein,,,,,[K+],
,,,K:A:402,Part of Protein,,,,,[K+],
,,,GLU ALA LYS PRO:C:1,valid,Ki,=,207,nM,O=C(NC(C(=O)NC(C(=O)N1C(C=O)CCC1)CCCC[NH3+])C)C([NH3+])CCC(=O)[O-],
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,,NA:A:405,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3TO3,,,,,,,
,,,ATP:B:617,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:617,invalid,,,,,[Cl-],
,,,CL:B:621,invalid,,,,,[Cl-],
,,,EDO:A:618,invalid,,,,,C(CO)O,
,,,EDO:B:619,invalid,,,,,C(CO)O,
,,,EDO:B:620,invalid,,,,,C(CO)O,
,,,MG:B:618,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3GXO,,,,,,,
,,,CA:D:352,Part of Protein,,,,,[Ca+2],
,,,CA:D:353,Part of Protein,,,,,[Ca+2],
,,,MQA:A:351,valid,,,,,CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC,
,,,MQA:B:351,valid,,,,,CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC,
,,,MQA:C:351,valid,,,,,CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC,
,,,MQA:D:351,valid,,,,,CC1=C(C(=O)C2=C(C1=O)[N@@]3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)OC,
,,,SAH:A:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:C:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:350,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,3KYF,,,,,,,
,,,5GP 5GP:A:501,valid,Kd,=,165,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,,,5GP 5GP:A:503,valid,Kd,=,165,nM,O=P1([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2COP(=O)([O-])OC2C(O)C(n3c4N=C(N)NC(=O)c4nc3)OC2CO1,
,Family. Representative Entry is ,4WK0,,,,,,,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:516,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,ARG GLY ASP:C:1524,valid,,,,,O=C(NCC(=O)NC(C=O)CC(=O)[O-])C([NH3+])CCCNC(=[NH2+])N,
,,4WK2,,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:520,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,NAG NAG BMA MAN MAN MAN MAN:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,GLY ARG GLY ASP SER PRO:C:5000,valid,,,,,O=C(NC(C=O)CO)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCNC(=[NH2+])N)CC(=O)[O-],
,,4WK4,,,,,,,
,,,ALA CYS ARG GLY ASP GLY TRP CYS:C:1,valid,,,,,O=C(NC1C(=O)NC(CCCNC(=[NH2+])N)C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)NC(C=O)CSSC1)C([NH3+])C,
,,,NAG NAG BMA MAN:F:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN MAN:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(OC4C(OC5C(O)C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN MAN MAN:D:1,invalid,,,,,,
,,,NAG:B:510,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:511,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:509,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,CA:A:501,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4XOI,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,GTP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3FYS,,,,,,,
,,,BR:A:701,invalid,,,,,[Br-],
,,,BR:A:702,invalid,,,,,[Br-],
,,,BR:A:703,invalid,,,,,[Br-],
,,,BR:A:704,invalid,,,,,[Br-],
,,,BR:A:705,invalid,,,,,[Br-],
,,,BR:A:706,invalid,,,,,[Br-],
,,,BR:A:707,invalid,,,,,[Br-],
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,PLM:A:501,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6MB9,,,,,,,
,,,NMY:B:302,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:A:303,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:C:302,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,NMY:D:302,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,,2PE:A:302,invalid,,,,,C(COCCOCCOCCOCCOCCOCCOCCOCCO)O,
,,,COA:B:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6MB6,,,,,,,
,,,MLI:D:301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:301,invalid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,COA:C:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:301,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,6MB4,,,,,,,
,,,SIS:B:301,valid,,,,,C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N)N)O,
,,6MB5,,,,,,,
,,,NMY:A:301,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,,6MB7,,,,,,,
,,,PAR:A:900,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N,
,Family. Representative Entry is ,6GJH,,,,,,,
,,,LEU SER:J:77,valid,,,,,,
,,,ALA LEU SER ARG:I:76,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,,,ALA LEU SER ARG:L:76,valid,,,,,O=C(NC(C=O)C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,ALA LEU SER ARG GLN:K:76,valid,,,,,O=C(NC(C(=O)NC(C=O)C)C)C(NC(=O)C(NC(=O)C([NH3+])C)C)CO,
,,,GLY VAL:J:84,valid,,,,,O=C(NC(C=O)C)CN,
,Family. Representative Entry is ,5OKL,,,,,,,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,CL:A:801,invalid,,,,,[Cl-],
,,,CL:A:802,invalid,,,,,[Cl-],
,,,CL:B:801,invalid,,,,,[Cl-],
,,,PAM:B:800,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,,NAG:B:741,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4PNG,,,,,,,
,,,GSF:B:2001,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSF:A:2001,valid,,,,,C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6QU6,,,,,,,
,,,PEG:A:406,invalid,,,,,C(COCCO)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SLB:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,6QU8,,,,,,,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,SLB:A:402,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,6LM1,,,,,,,
,,,R16:A:320,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:A:324,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:C:319,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:A:321,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:C:320,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:B:319,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:A:322,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:A:323,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,R16:C:321,invalid,,,,,CCCCCCCCCCCCCCCC,
,,,HEX:A:304,invalid,,,,,CCCCCC,
,,,HEX:C:310,invalid,,,,,CCCCCC,
,,,HEX:A:305,invalid,,,,,CCCCCC,
,,,HEX:B:305,invalid,,,,,CCCCCC,
,,,HEX:C:309,invalid,,,,,CCCCCC,
,,,HEX:C:307,invalid,,,,,CCCCCC,
,,,HEX:B:307,invalid,,,,,CCCCCC,
,,,HEX:B:306,invalid,,,,,CCCCCC,
,,,HEX:C:312,invalid,,,,,CCCCCC,
,,,HEX:C:311,invalid,,,,,CCCCCC,
,,,HEX:B:303,invalid,,,,,CCCCCC,
,,,HEX:C:303,invalid,,,,,CCCCCC,
,,,HEX:B:304,invalid,,,,,CCCCCC,
,,,HEX:A:303,invalid,,,,,CCCCCC,
,,,HEX:C:308,invalid,,,,,CCCCCC,
,,,HEX:A:307,invalid,,,,,CCCCCC,
,,,HEX:C:306,invalid,,,,,CCCCCC,
,,,HEX:C:305,invalid,,,,,CCCCCC,
,,,HEX:A:306,invalid,,,,,CCCCCC,
,,,HEX:C:304,invalid,,,,,CCCCCC,
,,,OCT:C:315,valid,,,,,CCCCCCCC,
,,,OCT:A:315,valid,,,,,CCCCCCCC,
,,,OCT:A:311,valid,,,,,CCCCCCCC,
,,,OCT:C:317,valid,,,,,CCCCCCCC,
,,,OCT:B:312,valid,,,,,CCCCCCCC,
,,,OCT:B:313,valid,,,,,CCCCCCCC,
,,,OCT:A:310,valid,,,,,CCCCCCCC,
,,,OCT:B:309,valid,,,,,CCCCCCCC,
,,,OCT:C:313,valid,,,,,CCCCCCCC,
,,,OCT:B:311,valid,,,,,CCCCCCCC,
,,,OCT:A:308,valid,,,,,CCCCCCCC,
,,,OCT:A:313,valid,,,,,CCCCCCCC,
,,,OCT:A:309,valid,,,,,CCCCCCCC,
,,,OCT:B:310,valid,,,,,CCCCCCCC,
,,,OCT:A:314,valid,,,,,CCCCCCCC,
,,,OCT:B:308,valid,,,,,CCCCCCCC,
,,,OCT:A:312,valid,,,,,CCCCCCCC,
,,,OCT:C:316,valid,,,,,CCCCCCCC,
,,,OCT:C:314,valid,,,,,CCCCCCCC,
,,,C14:B:320,valid,,,,,CCCCCCCCCCCCCC,
,,,C14:A:325,valid,,,,,CCCCCCCCCCCCCC,
,,,C14:C:324,valid,,,,,CCCCCCCCCCCCCC,
,,,D10:B:314,valid,,,,,CCCCCCCCCC,
,,,D10:B:315,valid,,,,,CCCCCCCCCC,
,,,D10:A:317,valid,,,,,CCCCCCCCCC,
,,,D10:A:316,valid,,,,,CCCCCCCCCC,
,,,NO3:C:323,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:322,invalid,,,,,[N+](=O)([O-])[O-],
,,,MG:C:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,D12:B:317,invalid,,,,,CCCCCCCCCCCC,
,,,D12:B:318,invalid,,,,,CCCCCCCCCCCC,
,,,D12:B:316,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:319,invalid,,,,,CCCCCCCCCCCC,
,,,D12:C:318,invalid,,,,,CCCCCCCCCCCC,
,,,D12:A:318,invalid,,,,,CCCCCCCCCCCC,
,,,RET:B:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:A:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:C:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,6WNB,,,,,,,
,,,SO4:C:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:511,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,FES:A:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:B:501,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FE:C:505,Part of Protein,,,,,[Fe+3],
,,,FE:A:505,Part of Protein,,,,,[Fe+3],
,,,FE:B:506,Part of Protein,,,,,[Fe+3],
,,,U5A:A:504,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,,,U5A:C:504,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,,,U5A:B:505,valid,,,,,[H]/N=C1/N[C@H]2[C@@H](N/C(=N/[H])/N3[C@]2(N1)CCC3)COC(=O)N,
,Family. Representative Entry is ,3LDJ,,,,,,,
,,,ACT:C:1209,invalid,,,,,CC(=O)[O-],
,,,GU4 YYJ:D:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,6BOC,,,,,,,
,,,EU7:A:102,valid,,,,,C[C@@H](C12CC3CC(C1)CC(C3)C2)N,
,,,NA:C:102,Part of Protein,,,,,[Na+],
,,,CL:A:101,invalid,,,,,[Cl-],
,,,RIM:C:101,valid,,,,,C[C@H](C12CC3CC(C1)CC(C3)C2)N,
,Family. Representative Entry is ,5BVB,,,,,,,
,,,DOG:A:201,valid,Kd,=,0.498,uM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:C:201,valid,Kd,=,0.498,uM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:D:201,valid,Kd,=,0.498,uM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,,,DOG:B:201,valid,Kd,=,0.498,uM,C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O,
,Family. Representative Entry is ,6BCA,,,,,,,
,,,GSP:C:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5DQW,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,NI:B:302,Part of Protein,,,,,[Ni+2],
,,,NI:A:302,Part of Protein,,,,,[Ni+2],
,Family. Representative Entry is ,5ZBF,,,,,,,
,,,ENO:A:301,valid,,,,,c1cc(ccc1CC(=O)C(=O)O)O,
,,,FE2:A:302,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,5XCS,,,,,,,
,,,SO4:B:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR PRO TYR ASP VAL PRO ASP TYR ALA:C:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)Cc2ccc(O)cc2)CC(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)Cc1ccc(O)cc1)CC(=O)[O-],
,,5XCU,,,,,,,
,,,SO4:E:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR PRO TYR ASP VAL PRO ASP TYR ALA:F:2,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)Cc2ccc(O)cc2)CC(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)Cc1ccc(O)cc1)CC(=O)[O-],
,,,TYR PRO TYR ASP VAL PRO ASP TYR ALA:C:2,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)Cc2ccc(O)cc2)CC(=O)[O-])CCC1)C(C)C)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])Cc2ccc(O)cc2)CCC1)Cc1ccc(O)cc1)CC(=O)[O-],
,Family. Representative Entry is ,4LED,,,,,,,
,,,XXR:B:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:A:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:A:302,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:B:304,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:B:303,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,,,XXR:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,2QEH,,,,,,,
,,,SRO:A:145,valid,Kd,=,2.4,nM,c1cc2c(cc1O)c(c[nH]2)CCN,
,,2QEB,,,,,,,
,,,GOL:A:663,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:664,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:665,invalid,,,,,C(C(CO)O)O,
,,,HSM:A:145,valid,,,,,c1c(nc[nH]1)CCN,
,,,HSM:B:145,valid,,,,,c1c(nc[nH]1)CCN,
,,2QEO,,,,,,,
,,,LNR:A:200,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,,,LNR:B:200,valid,,,,,c1cc(c(cc1[C@H](CN)O)O)O,
,,2PQL,,,,,,,
,,,TSS:A:145,valid,Kd,=,53,nM,c1ccc2c(c1)c(c[nH]2)CCN,
,Family. Representative Entry is ,3U6K,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:394,Part of Protein,,,,,[Mg+2],
,,,MG:B:394,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3CYQ,,,,,,,
,,,AMU:D:5,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C,
,,,AMU:K:2,valid,,,,,C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C,
,Family. Representative Entry is ,5IRN,,,,,,,
,,,ADP:A:1101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3O07,,,,,,,
,,,G3H:A:1,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:B:1,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,,G3H:C:1,valid,,,,,C([C@H](C=O)O)OP(=O)(O)O,
,,3O05,,,,,,,
,,,PLP:A:1,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:1,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,3QYY,,,,,,,
,,,C2E:A:487,valid,Kd,=,8.26,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:486,valid,Kd,=,8.26,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,MG:A:505,Part of Protein,,,,,[Mg+2],
,,,MG:B:506,Part of Protein,,,,,[Mg+2],
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,PEG:B:502,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4EIP,,,,,,,
,,,FAD:A:602,valid,Kd,=,20,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:600,valid,Kd,=,20,uM,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K2C:A:601,valid,,,,,c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4,
,,2R0C,,,,,,,
,,,CL:A:1429,invalid,,,,,[Cl-],
,,,FAD:A:1430,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2R0G,,,,,,,
,,,7CK:A:1355,valid,,,,,c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O,
,,,7CK:B:1357,valid,,,,,c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)c([nH]c4C(=O)O)O,
,,,FAD:A:1354,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1356,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,2R0P,,,,,,,
,,,CL:A:1183,invalid,,,,,[Cl-],
,,,FAD:A:1184,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,K2C:A:1185,valid,,,,,c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4,
,Family. Representative Entry is ,4G0P,,,,,,,
,,,U5P:A:801,valid,Kd,=,0.98,mM,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4G0Q,,,,,,,
,,,C5P:A:801,valid,Kd,=,3,mM,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4G0Y,,,,,,,
,,,AMP:A:801,valid,Kd,=,4.99,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4G0Z,,,,,,,
,,,5GP:A:801,valid,Kd,=,6.13,mM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,3WCS,,,,,,,
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,MAN NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:1011,invalid,,,,,C(CO)O,
,,,EDO:A:1010,invalid,,,,,C(CO)O,
,,,EDO:A:1007,invalid,,,,,C(CO)O,
,,,EDO:A:1008,invalid,,,,,C(CO)O,
,,,EDO:A:1009,invalid,,,,,C(CO)O,
,,,MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,3WOG,,,,,,,
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,MAN NAG:D:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MAN NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1O)C,
,,,MN:B:1002,Part of Protein,,,,,[Mn+2],
,,,MN:A:1002,Part of Protein,,,,,[Mn+2],
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2W83,,,,,,,
,,,DIO:A:1175,invalid,,,,,C1COCCO1,
,,,DIO:C:1453,invalid,,,,,C1COCCO1,
,,,DIO:C:1454,invalid,,,,,C1COCCO1,
,,,DIO:E:1175,invalid,,,,,C1COCCO1,
,,,DIO:E:1176,invalid,,,,,C1COCCO1,
,,,DIO:E:1177,invalid,,,,,C1COCCO1,
,,,GOL:A:1176,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:1173,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1173,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:1173,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1174,Part of Protein,,,,,[Mg+2],
,,,MG:B:1174,Part of Protein,,,,,[Mg+2],
,,,MG:E:1174,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4ZV1,,,,,,,
,,,ARG:A:301,valid,Kd,=,5.73,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,4ZV2,,,,,,,
,,,GLN:A:301,valid,Kd,=,1170,uM,C(CC(=O)N)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6MYJ,,,,,,,
,,,EDO:D:205,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:C:203,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:C:207,invalid,,,,,C(CO)O,
,,,EDO:B:204,invalid,,,,,C(CO)O,
,,,EDO:C:202,invalid,,,,,C(CO)O,
,,,EDO:B:205,invalid,,,,,C(CO)O,
,,,EDO:B:203,invalid,,,,,C(CO)O,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:C:205,invalid,,,,,C(CO)O,
,,,EDO:C:206,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:D:202,invalid,,,,,C(CO)O,
,,,EDO:D:204,invalid,,,,,C(CO)O,
,,,EDO:D:203,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:C:204,invalid,,,,,C(CO)O,
,,,NA:A:201,Part of Protein,,,,,[Na+],
,,,NA:D:201,Part of Protein,,,,,[Na+],
,,,NA:B:201,Part of Protein,,,,,[Na+],
,,,NA:C:201,Part of Protein,,,,,[Na+],
,,,K6V:D:206,valid,,,,,CCCC(=O)N[C@@H](C)CO,
,Family. Representative Entry is ,2HYR,,,,,,,
,,,BGC GLC:H:1,valid,Kd,=,394,uM,,
,,,BGC GLC:F:1,valid,Kd,=,394,uM,,
,,,BGC GLC:D:1,valid,Kd,=,394,uM,,
,,,BGC GLC:G:1,valid,Kd,=,394,uM,,
,,,BGC GLC:C:1,valid,Kd,=,394,uM,,
,,,BGC GLC:E:1,valid,Kd,=,394,uM,,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4PYW,,,,,,,
,,,ACE THR THR ALA ILE NH2:B:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)C(O)C)C)C(CC)C,
,,,ACE THR THR ALA ILE NH2:C:1,valid,,,,,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)C(O)C)C(O)C)C)C(CC)C,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5MWE,,,,,,,
,,,TCE:B:1201,valid,,,,,C(CP(CCC(=O)O)CCC(=O)O)C(=O)O,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,EDO:D:601,invalid,,,,,C(CO)O,
,,,EDO:C:601,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,5Y79,,,,,,,
,,,OLC:A:514,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:512,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:515,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:513,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:504,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:505,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:516,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:512,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:517,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:509,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:504,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:501,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:506,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:515,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:501,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:511,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:507,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:503,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:514,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:505,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:A:502,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:508,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:B:510,invalid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC OLC:A:507,invalid,,,,,,
,,,OLC OLC:B:503,invalid,,,,,,
,,,FLC:A:517,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,3PG:B:518,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,,,3PG:A:516,valid,,,,,C([C@H](C(=O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,2J59,,,,,,,
,,,DIO:A:1183,invalid,,,,,C1COCCO1,
,,,DIO:B:1183,invalid,,,,,C1COCCO1,
,,,DIO:F:1183,invalid,,,,,C1COCCO1,
,,,EDO:C:1183,invalid,,,,,C(CO)O,
,,,EDO:E:1183,invalid,,,,,C(CO)O,
,,,EDO:O:2063,invalid,,,,,C(CO)O,
,,,GTP:A:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:1181,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1182,Part of Protein,,,,,[Mg+2],
,,,MG:B:1182,Part of Protein,,,,,[Mg+2],
,,,MG:C:1182,Part of Protein,,,,,[Mg+2],
,,,MG:D:1182,Part of Protein,,,,,[Mg+2],
,,,MG:E:1182,Part of Protein,,,,,[Mg+2],
,,,MG:F:1182,Part of Protein,,,,,[Mg+2],
,,,SO4:M:2064,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:N:2064,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:O:2062,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:2064,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:2064,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:R:2064,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3F5A,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL SIA:B:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,3F53,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,2FG SIA:B:1,valid,,,,,FC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(CO)OC1O,
,,2JH7,,,,,,,
,,,ACT:A:1242,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1246,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1247,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1248,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1249,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1250,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1251,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1253,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1254,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1255,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1256,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1257,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1258,invalid,,,,,CC(=O)[O-],
,,,CL:A:1243,invalid,,,,,[Cl-],
,,,CL:A:1252,invalid,,,,,[Cl-],
,,,GOL:A:1244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1245,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,2JHD,,,,,,,
,,,ACT:A:1242,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1246,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1247,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1248,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1250,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1251,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1252,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1253,invalid,,,,,CC(=O)[O-],
,,,CL:A:1243,invalid,,,,,[Cl-],
,,,GOL:A:1244,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1245,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1249,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:B:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,3F5E,,,,,,,
,,,ACT:A:501,invalid,,,,,CC(=O)[O-],
,,,ACT:A:502,invalid,,,,,CC(=O)[O-],
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,,ACT:A:504,invalid,,,,,CC(=O)[O-],
,,,ACT:A:505,invalid,,,,,CC(=O)[O-],
,,,ACT:A:506,invalid,,,,,CC(=O)[O-],
,,,ACT:A:507,invalid,,,,,CC(=O)[O-],
,,,ACT:A:508,invalid,,,,,CC(=O)[O-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,NAG 2FG SIA:B:1,valid,,,,,FC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(CO)OC1OC1C(O)C(CO)OC(O)C1NC(=O)C,
,Family. Representative Entry is ,5YJS,,,,,,,
,,,CU1:A:604,Part of Protein,,,,,[Cu+],
,,,CU1:B:602,Part of Protein,,,,,[Cu+],
,,,SAL:B:601,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,SAL:A:603,valid,,,,,c1ccc(c(c1)C(=O)O)O,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,NA:A:602,invalid,,,,,[Na+],
,,,PG4:A:605,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3TKL,,,,,,,
,,,GTP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4XU6,,,,,,,
,,,TDA:A:305,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,TDA:A:304,valid,,,,,CCCCCCCCCCCCC(=O)O,
,,,BOG:A:301,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:303,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:302,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,4XU5,,,,,,,
,,,D10:A:303,invalid,,,,,CCCCCCCCCC,
,,,D10:A:304,invalid,,,,,CCCCCCCCCC,
,,,D10:A:306,invalid,,,,,CCCCCCCCCC,
,,,D10:A:305,invalid,,,,,CCCCCCCCCC,
,,,D10:A:302,invalid,,,,,CCCCCCCCCC,
,,,BOG:A:307,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,LBR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr,
,Family. Representative Entry is ,4UYF,,,,,,,
,,,73B:B:1185,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:A:1191,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,73B:C:1183,valid,Kd,=,4.4,nM,C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccc(cc3)C(=O)O)Nc4ccc(cc4)Cl,
,,,EDO:C:1182,invalid,,,,,C(CO)O,
,,,EDO:A:1190,invalid,,,,,C(CO)O,
,,,EDO:B:1184,invalid,,,,,C(CO)O,
,,,SO4:A:1192,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:1184,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1186,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2J8C,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1288,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1286,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1308,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1311,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1307,Part of Protein,,,,,[Fe+3],
,,,GGD:M:1313,invalid,,,,,CCCCCCCCC=CCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)COC(=O)CCCCCCCC=CCCCCCCCC,
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1293,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1294,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1290,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:1291,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1285,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PC1:M:1312,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC,
,,,PO4:L:1289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1310,valid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:L:1287,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:1309,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2UX3,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1286,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1284,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1313,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1316,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1312,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1289,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1290,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1288,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1711,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1287,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1315,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1314,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1285,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,2UXK,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1289,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1287,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1311,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1314,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1310,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1293,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1315,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1291,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1285,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1286,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1290,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1313,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1312,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1288,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,2HHK,,,,,,,
,,,BCL:L:312,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:314,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:311,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:313,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:402,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:401,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:800,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CL:M:701,invalid,,,,,[Cl-],
,,,FE:M:500,Part of Protein,,,,,[Fe+3],
,,,GOL:H:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:709,invalid,,,,,C(C(CO)O)O,
,,,K:H:700,Part of Protein,,,,,[K+],
,,,LDA:H:901,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:903,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:904,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:902,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:907,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:920,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PGK:M:802,invalid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br,
,,,PGT:H:801,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PO4:H:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U10:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:501,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2UXJ,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1287,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1285,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1313,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1316,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1312,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1290,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1291,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1292,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1289,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:1904,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1315,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1314,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1286,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,3ZUW,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1285,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1311,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE:M:1305,Part of Protein,,,,,[Fe+3],
,,,LDA:H:1252,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:1253,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:1254,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:1255,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:1256,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:M:1306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:1307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPN:M:1312,valid,,,,,CC(CCC=C(/C)CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C,
,,,U10:L:1286,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:1313,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2UWU,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1288,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1286,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1312,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1315,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1311,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1293,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1290,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:1291,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1285,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1314,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1313,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1287,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,1YF6,,,,,,,
,,,BCL:L:852,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:854,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:851,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:853,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:856,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:855,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:862,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CL:M:861,invalid,,,,,[Cl-],
,,,FE2:M:850,Part of Protein,,,,,[Fe+2],
,,,GOL:L:869,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:863,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:864,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:865,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:866,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:M:867,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:868,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:860,valid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:L:858,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:L:859,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:857,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2J8D,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1308,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1309,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1287,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1317,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1320,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1316,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1261,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1262,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1263,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1264,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1292,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1293,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1294,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1290,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:1291,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1285,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1286,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1312,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1313,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1314,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1315,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1289,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1319,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:L:1288,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:1318,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2JIY,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1284,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1285,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1304,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CL:M:1311,invalid,,,,,[Cl-],
,,,D12:M:1314,invalid,,,,,CCCCCCCCCCCC,
,,,FE:M:1306,Part of Protein,,,,,[Fe+3],
,,,LDA:H:1251,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:M:1307,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPN:M:1309,valid,,,,,CC(CCC=C(/C)CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C,
,,,U10:L:1286,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:1310,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,3ZUM,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1302,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1284,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1305,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE:M:1304,Part of Protein,,,,,[Fe+3],
,,,LDA:L:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:703,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:704,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:705,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:706,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:707,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:H:1246,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:1306,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPN:M:1307,valid,,,,,CC(CCC=C(/C)CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C,
,,,U10:L:1285,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:1308,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,4TQQ,,,,,,,
,,,U10:M:401,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,BPH:M:404,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:L:301,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BCL:L:303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:403,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:302,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:402,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,UQ1:L:304,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C,
,,,FE2:L:305,Part of Protein,,,,,[Fe+2],
,,2UWT,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1284,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1312,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE:M:1311,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1288,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1315,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1287,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1286,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1314,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1313,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1285,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,6Z02,,,,,,,
,,,EDO:H:708,invalid,,,,,C(CO)O,
,,,EDO:L:312,invalid,,,,,C(CO)O,
,,,EDO:L:313,invalid,,,,,C(CO)O,
,,,EDO:L:310,invalid,,,,,C(CO)O,
,,,EDO:H:709,invalid,,,,,C(CO)O,
,,,EDO:M:418,invalid,,,,,C(CO)O,
,,,EDO:H:711,invalid,,,,,C(CO)O,
,,,EDO:H:710,invalid,,,,,C(CO)O,
,,,EDO:H:712,invalid,,,,,C(CO)O,
,,,EDO:M:417,invalid,,,,,C(CO)O,
,,,EDO:M:419,invalid,,,,,C(CO)O,
,,,EDO:L:311,invalid,,,,,C(CO)O,
,,,EDO:L:309,invalid,,,,,C(CO)O,
,,,D10:L:307,valid,,,,,CCCCCCCCCC,
,,,LDA:M:410,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:409,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:304,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:420,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,BPH:M:404,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:L:302,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BCL:L:301,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:402,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:403,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:401,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,D12:L:305,invalid,,,,,CCCCCCCCCCCC,
,,,D12:H:703,invalid,,,,,CCCCCCCCCCCC,
,,,D12:H:705,invalid,,,,,CCCCCCCCCCCC,
,,,D12:M:412,invalid,,,,,CCCCCCCCCCCC,
,,,D12:H:704,invalid,,,,,CCCCCCCCCCCC,
,,,D12:M:413,invalid,,,,,CCCCCCCCCCCC,
,,,MYS:H:706,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:L:306,invalid,,,,,CCCCCCCCCCCCCCC,
,,,MYS:M:411,invalid,,,,,CCCCCCCCCCCCCCC,
,,,CDL:M:414,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,U10:M:406,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:L:303,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,SPN:M:407,valid,,,,,CC(CCC=C(/C)CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C,
,,,HTO:L:315,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:314,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,HTO:L:316,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,FE:M:405,Part of Protein,,,,,[Fe+3],
,,,PO4:M:415,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:416,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:707,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,NA:H:713,Part of Protein,,,,,[Na+],
,,,DIO:L:308,invalid,,,,,C1COCCO1,
,,,K:H:714,Part of Protein,,,,,[K+],
,,2UWW,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1290,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1305,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1288,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1311,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1314,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1310,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1255,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1293,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1294,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1315,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1292,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1285,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1286,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1287,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1291,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1313,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1312,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1289,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,6Z1J,,,,,,,
,,,UNL:M:411,invalid,,,,,NULL,
,,,UNL:M:412,invalid,,,,,NULL,
,,,UNL:L:304,invalid,,,,,NULL,
,,,UNL:M:410,invalid,,,,,NULL,
,,,UNL:L:305,invalid,,,,,NULL,
,,,NKP:M:415,valid,,,,,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,NKP:M:414,valid,,,,,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O,
,,,BPH:L:303,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:403,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,LDA:M:407,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:301,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:409,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:408,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,BCL:L:301,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:302,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:402,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:401,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,FE:M:404,Part of Protein,,,,,[Fe+3],
,,,U10:M:405,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,OLC:L:306,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,PO4:M:413,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPN:M:406,valid,,,,,CC(CCC=C(/C)CCCC/C(=C/CCC(=CCCC(=CCC(=O)C(C)(C)OC)C)C)/C)CCC=C(C)CCC=C(C)C,
,,2HG9,,,,,,,
,,,BCL:L:312,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:314,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:311,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:313,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:402,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:401,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:800,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CL:L:712,invalid,,,,,[Cl-],
,,,CL:M:711,invalid,,,,,[Cl-],
,,,FE:M:500,Part of Protein,,,,,[Fe+3],
,,,GOL:H:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:706,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:708,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:709,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:710,invalid,,,,,C(C(CO)O)O,
,,,K:H:700,Part of Protein,,,,,[K+],
,,,LDA:H:901,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:903,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:904,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:908,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:902,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:907,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:920,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PC7:H:801,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@](=O)(O)OCC[N+](C)(C)C,
,,,PCK:M:802,invalid,,,,,CCCCCCCC[C@H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br)Br)Br,
,,,PO4:H:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:L:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:701,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:702,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U10:L:502,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,U10:M:501,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,2UWV,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1286,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1284,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1313,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,FE:M:1312,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1251,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1289,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1290,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1316,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1288,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1305,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1287,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1315,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1314,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1285,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,2UX5,,,,,,,
,,,BCL:L:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:L:1287,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1304,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:1305,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BPH:L:1285,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:1314,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,CDL:M:1317,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,FE:M:1313,Part of Protein,,,,,[Fe+3],
,,,GOL:H:1252,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1253,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1254,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:1255,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1290,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:1291,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:1318,invalid,,,,,C(C(CO)O)O,
,,,HTO:L:1289,invalid,,,,,CCCC[C@H]([C@@H](CO)O)O,
,,,LDA:L:1283,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:1284,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1306,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1307,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1308,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1309,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1310,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1311,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:1312,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:L:1288,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SPO:M:1316,invalid,,,,,CC(=CCCC(=CCC/C(=C/C=CC(=CC=CC=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=CCC(C)(C)OC)C)/C)C)C,
,,,U10:M:1315,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,UQ2:L:1286,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(C)C,
,,2BNS,,,,,,,
,,,BCL:A:1282,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:A:1283,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:B:1302,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:B:1303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,CL:B:1307,invalid,,,,,[Cl-],
,,,FE2:B:1305,Part of Protein,,,,,[Fe+2],
,,,MST:A:1285,valid,,,,,CCNc1nc(nc(n1)SC)NC(C)(C)C,
,,,PO4:B:1308,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1309,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,U10:B:1306,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,BPH:A:1284,invalid,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:B:1304,invalid,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,6Z27,,,,,,,
,,,LDA:M:410,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:L:302,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:409,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:411,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:M:402,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:702,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,LDA:H:701,invalid,,,,,CCCCCCCCCCCC[N+](C)(C)[O-],
,,,PO4:M:415,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:414,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:412,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:703,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:704,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:416,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:M:413,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:705,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,BPH:L:304,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,BPH:M:406,Part of Protein,,,,,CCC1c2/cc3/c(c4c([nH]3)c(c5n/c(cc6c(c(c([nH]6)/cc(n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C,
,,,OLC:M:401,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,OLC:L:301,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@@H](CO)O,
,,,U10:M:408,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,,FE:M:407,Part of Protein,,,,,[Fe+3],
,,,BCL:L:303,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:404,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:405,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,BCL:M:403,Part of Protein,,,,,CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg@+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OCC=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C,
,,,EDO:M:417,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,6RTW,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,Y01:A:504,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C,
,Family. Representative Entry is ,6Y4E,,,,,,,
,,,TLA:A:202,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,6Y4F,,,,,,,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,GLU:A:202,valid,,,,,C(CC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,6C7N,,,,,,,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1006,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1002,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:1003,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1007,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1004,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1008,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1008,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:C:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:D:1001,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,PYR:B:1003,valid,,,,,CC(=O)C(=O)O,
,,,PYR:C:1002,valid,,,,,CC(=O)C(=O)O,
,,,PYR:B:1002,valid,,,,,CC(=O)C(=O)O,
,,,PEG:B:1009,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,1AF6,,,,,,,
,,,GLC FRU:F:1,valid,Kd,=,15,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,Kd,=,15,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,Kd,=,15,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,MG:A:424,Part of Protein,,,,,[Mg+2],
,,,MG:A:425,Part of Protein,,,,,[Mg+2],
,,,MG:B:424,Part of Protein,,,,,[Mg+2],
,,,MG:C:424,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6V2T,,,,,,,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,PO4:A:304,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,0FX:B:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,0FX:A:301,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O)N,
,,,FOL:B:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,FOL:A:302,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,Family. Representative Entry is ,6J31,,,,,,,
,,,DBB DSG VAL MEA VAL GLY GLY DVA DLE BG9:E:2,invalid,,,,,O=C(NC1C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)OC1C)C=Cc1c(C=CCO)cccc1,
,,,DBB DSG VAL MEA VAL GLY GLY DVA DLE BG9:H:2,invalid,,,,,O=C(NC1C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)OC1C)C=Cc1c(C=CCO)cccc1,
,,,DBB DSG VAL MEA VAL GLY GLY DVA DLE BG9:G:2,valid,,,,,O=C(NC1C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)OC1C)C=Cc1c(C=CCO)cccc1,
,,,DBB DSG VAL MEA VAL GLY GLY DVA DLE BG9:F:2,invalid,,,,,O=C(NC1C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)N(C)C(Cc2ccccc2)C(=O)NC(C(C)C)C(=O)NCC(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)OC1C)C=Cc1c(C=CCO)cccc1,
,Family. Representative Entry is ,5URV,,,,,,,
,,,1PG:B:204,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:202,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:B:203,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NAG:A:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NER:A:201,valid,,,,,CCCCCCCCC=C/CCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4WN5,,,,,,,
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,P6G:B:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:405,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:B:404,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,P6G:A:403,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,MVC:B:402,valid,,,,,CCCCCC/C=CCCCCCCCCCC(=O)OC[C@@H](CO)O,
,,,MVC:A:402,valid,,,,,CCCCCC/C=CCCCCCCCCCC(=O)OC[C@@H](CO)O,
,Family. Representative Entry is ,2PFC,,,,,,,
,,,PLM:A:184,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,4X17,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:C:305,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:D:307,Part of Protein,,,,,[K+],
,,,SIA SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SIA SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SIA:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,3NXD,,,,,,,
,,,EDO:A:5,invalid,,,,,C(CO)O,
,,,EDO:A:6,invalid,,,,,C(CO)O,
,,,EDO:C:291,invalid,,,,,C(CO)O,
,,,EDO:D:290,invalid,,,,,C(CO)O,
,,,EDO:E:290,invalid,,,,,C(CO)O,
,,,EDO:E:4,invalid,,,,,C(CO)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:290,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:3,invalid,,,,,C(C(CO)O)O,
,,,BGC GAL NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,4X16,,,,,,,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,K:A:304,Part of Protein,,,,,[K+],
,,,K:A:303,Part of Protein,,,,,[K+],
,,,K:B:306,Part of Protein,,,,,[K+],
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,SIA:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:D:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:C:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4X15,,,,,,,
,,,GOL:D:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:C:306,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:D:309,Part of Protein,,,,,[K+],
,,,BGC GAL SIA NGA:G:1,valid,,,,,,
,,,BGC GAL SIA NGA:H:1,valid,,,,,,
,,,BGC NGA GAL SIA:F:1,valid,,,,,,
,,4X10,,,,,,,
,,,GOL:D:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,K:E:305,Part of Protein,,,,,[K+],
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:D:309,Part of Protein,,,,,[K+],
,,,K:C:309,Part of Protein,,,,,[K+],
,,,K:D:308,Part of Protein,,,,,[K+],
,,,K:B:310,Part of Protein,,,,,[K+],
,,,K:A:305,Part of Protein,,,,,[K+],
,,,GAL SIA NGA:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,,BGC GAL SIA NGA:F:1,valid,,,,,,
,,,BGC GAL SIA NGA:G:1,valid,,,,,,
,,4X0Z,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:D:309,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:D:311,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:C:310,invalid,,,,,C(CO)O,
,,,EDO:D:310,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,GOL:D:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,K:E:308,Part of Protein,,,,,[K+],
,,,K:A:310,Part of Protein,,,,,[K+],
,,,K:C:314,Part of Protein,,,,,[K+],
,,,K:A:309,Part of Protein,,,,,[K+],
,,,K:B:311,Part of Protein,,,,,[K+],
,,,K:C:313,Part of Protein,,,,,[K+],
,,,K:B:312,Part of Protein,,,,,[K+],
,,,K:D:313,Part of Protein,,,,,[K+],
,,,K:D:312,Part of Protein,,,,,[K+],
,,,K:A:311,Part of Protein,,,,,[K+],
,,,BGC GAL SIA NGA GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,GAL SIA NGA GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)COC1CO)C,
,,,GAL SIA NGA GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)COC1CO)C,
,,4JCF,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4X12,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:E:305,invalid,,,,,C(CO)O,
,,,EDO:D:305,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:B:304,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:D:302,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:D:306,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,K:A:308,Part of Protein,,,,,[K+],
,,,K:E:308,Part of Protein,,,,,[K+],
,,,K:A:310,Part of Protein,,,,,[K+],
,,,K:A:309,Part of Protein,,,,,[K+],
,,,K:C:307,Part of Protein,,,,,[K+],
,,,K:B:308,Part of Protein,,,,,[K+],
,,,K:B:309,Part of Protein,,,,,[K+],
,,,K:D:309,Part of Protein,,,,,[K+],
,,,K:D:308,Part of Protein,,,,,[K+],
,,,K:C:306,Part of Protein,,,,,[K+],
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,SIA SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SIA SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,SIA SIA:F:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,4X14,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:D:308,invalid,,,,,C(CO)O,
,,,EDO:D:307,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:C:308,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:C:309,invalid,,,,,C(CO)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:301,invalid,,,,,C(C(CO)O)O,
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:A:307,Part of Protein,,,,,[K+],
,,,K:D:309,Part of Protein,,,,,[K+],
,,,K:B:309,Part of Protein,,,,,[K+],
,,,K:C:310,Part of Protein,,,,,[K+],
,,,BGC GAL SIA NGA GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,BGC GAL SIA NGA GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(OC2C(O)C(O)C(O)OC2CO)OC1CO)C,
,,,SIA GAL NGA GAL:F:4,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(OC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)C(O)C(O)OC1CO)C,
,,4X11,,,,,,,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:E:302,invalid,,,,,C(CO)O,
,,,EDO:E:303,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:E:304,invalid,,,,,C(CO)O,
,,,EDO:B:303,invalid,,,,,C(CO)O,
,,,EDO:C:301,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,K:C:305,Part of Protein,,,,,[K+],
,,,K:B:305,Part of Protein,,,,,[K+],
,,,K:A:307,Part of Protein,,,,,[K+],
,,,K:E:307,Part of Protein,,,,,[K+],
,,,K:D:302,Part of Protein,,,,,[K+],
,,,K:C:306,Part of Protein,,,,,[K+],
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:304,invalid,,,,,C(C(CO)O)O,
,,,SIA:E:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:B:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:A:301,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4X13,,,,,,,
,,,EDO:B:306,invalid,,,,,C(CO)O,
,,,EDO:B:313,invalid,,,,,C(CO)O,
,,,EDO:B:307,invalid,,,,,C(CO)O,
,,,EDO:B:309,invalid,,,,,C(CO)O,
,,,EDO:C:307,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:B:310,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:E:308,invalid,,,,,C(CO)O,
,,,EDO:E:306,invalid,,,,,C(CO)O,
,,,EDO:E:309,invalid,,,,,C(CO)O,
,,,EDO:B:308,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:D:303,invalid,,,,,C(CO)O,
,,,EDO:E:307,invalid,,,,,C(CO)O,
,,,GOL:D:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:311,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:312,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:305,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:309,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:308,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:306,invalid,,,,,C(C(CO)O)O,
,,,K:E:310,Part of Protein,,,,,[K+],
,,,K:A:306,Part of Protein,,,,,[K+],
,,,K:C:310,Part of Protein,,,,,[K+],
,,,K:D:305,Part of Protein,,,,,[K+],
,,,K:B:314,Part of Protein,,,,,[K+],
,,,BGC GAL NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,BGC GAL NAG GAL SIA:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(COC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)O2)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,5OSW,,,,,,,
,,,JEF:A:608,invalid,,,,,C[C@@H](COC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@H](C)OCC(C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OCCOC)N,
,,,DIU:A:604,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:606,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:605,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:603,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:601,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,DIU:A:602,valid,,,,,c1c(cc(c(c1C(=O)O)O)I)I,
,,,AE4:A:609,valid,,,,,CCOCCOCCOCCOCCOCCO,
,,,CIT:A:607,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5OTB,,,,,,,
,,,PGE:B:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:601,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:601,invalid,,,,,C(COCCOCCO)O,
,,,PEG:D:601,invalid,,,,,C(COCCO)O,
,,,PEG:C:602,invalid,,,,,C(COCCO)O,
,,,PRO:A:603,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:602,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:605,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:603,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:603,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:602,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:604,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:C:604,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:B:603,valid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:D:605,invalid,,,,,C1C[C@H](NC1)C(=O)O,
,,,PRO:A:602,valid,,,,,C1C[C@H](NC1)C(=O)O,
,Family. Representative Entry is ,5KDS,,,,,,,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1108,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,TLA:A:1102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,A2G THR ALA PRO GLY GLY NAG SIA:B:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)NCC(=O)NCC=O)CCC1)C)C([NH3+])C(OC1C(NC(=O)C)C(OC2C(NC(=O)C)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)O1)C,
,,,EPE:A:1103,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,ZN:A:1101,Part of Protein,,,,,[Zn+2],
,,5KDU,,,,,,,
,,,EDO:A:1106,invalid,,,,,C(CO)O,
,,,EDO:A:1108,invalid,,,,,C(CO)O,
,,,EDO:A:1109,invalid,,,,,C(CO)O,
,,,EDO:A:1111,invalid,,,,,C(CO)O,
,,,EDO:A:1110,invalid,,,,,C(CO)O,
,,,EDO:A:1112,invalid,,,,,C(CO)O,
,,,EDO:A:1105,invalid,,,,,C(CO)O,
,,,EDO:A:1107,invalid,,,,,C(CO)O,
,,,EDO:A:1104,invalid,,,,,C(CO)O,
,,,ZN:A:1113,Part of Protein,,,,,[Zn+2],
,,,A2G GAL SIA:B:1,valid,,,,,O=C(NC1C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,2B3D,,,,,,,
,,,FAD:A:1205,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:1206,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,6QB9,,,,,,,
,,,TLA:X:301,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:X:302,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,6V4C,,,,,,,
,,,EDO:A:309,invalid,,,,,C(CO)O,
,,,EDO:A:310,invalid,,,,,C(CO)O,
,,,ZN:A:311,Part of Protein,,,,,[Zn+2],
,,,ZN:A:312,Part of Protein,,,,,[Zn+2],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:305,invalid,,,,,C(C(CO)O)O,
,,,ETX:A:306,invalid,,,,,CCOCCO,
,,,ETX:A:307,invalid,,,,,CCOCCO,
,,,ADP:A:301,valid,Kd,=,32.68,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PEG:A:308,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4JLZ,,,,,,,
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,UTP:B:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6UBI,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:F:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,3E1I,,,,,,,
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:501,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:E:503,Part of Protein,,,,,[Ca+2],
,,,CA:E:502,Part of Protein,,,,,[Ca+2],
,,,CA:F:501,Part of Protein,,,,,[Ca+2],
,,,GLY HIS ARG PRO NH2:G:1,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO NH2:H:1,valid,,,,,O=C(NC(C(=O)N1C(C=O)CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,NAG:B:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:501,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,1FZG,,,,,,,
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:B:3,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:C:4,Part of Protein,,,,,[Ca+2],
,,,CA:E:2,Part of Protein,,,,,[Ca+2],
,,,CA:E:3,Part of Protein,,,,,[Ca+2],
,,,CA:F:1,Part of Protein,,,,,[Ca+2],
,,,CA:F:4,Part of Protein,,,,,[Ca+2],
,,,GLY HIS ARG PRO:M:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:N:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:S:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:T:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,1FZC,,,,,,,
,,,CA:B:2,Part of Protein,,,,,[Ca+2],
,,,CA:C:1,Part of Protein,,,,,[Ca+2],
,,,CA:E:2,Part of Protein,,,,,[Ca+2],
,,,CA:F:1,Part of Protein,,,,,[Ca+2],
,,,GLY HIS ARG PRO:I:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY HIS ARG PRO:J:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1nc[nH]c1,
,,,GLY PRO ARG PRO:G:1,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C[NH3+])CCC1)CCCNC(=[NH2+])N)N1C(C=O)CCC1,
,,,GLY PRO ARG PRO:H:1,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C[NH3+])CCC1)CCCNC(=[NH2+])N)N1C(C=O)CCC1,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:472,Part of Protein,,,,,,
,Family. Representative Entry is ,2CM4,,,,,,,
,,,ACT:A:1169,invalid,,,,,CC(=O)[O-],
,,,RCL:A:1170,valid,,,,,CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O,
,,2CM9,,,,,,,
,,,ACT:A:1170,invalid,,,,,CC(=O)[O-],
,,,RCL:A:1169,valid,,,,,CCCCCC[C@H](CC=CCCCCCCCC(=O)O)O,
,Family. Representative Entry is ,3CK8,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:A:720,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,,,CA:B:710,Part of Protein,,,,,[Ca+2],
,,,EDO:A:730,invalid,,,,,C(CO)O,
,,,EDO:A:731,invalid,,,,,C(CO)O,
,,,EDO:A:734,invalid,,,,,C(CO)O,
,,,EDO:A:737,invalid,,,,,C(CO)O,
,,,EDO:A:747,invalid,,,,,C(CO)O,
,,,EDO:A:754,invalid,,,,,C(CO)O,
,,,EDO:B:741,invalid,,,,,C(CO)O,
,,,EDO:B:744,invalid,,,,,C(CO)O,
,,,EDO:B:748,invalid,,,,,C(CO)O,
,,,EDO:B:749,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3CK7,,,,,,,
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CA:B:720,Part of Protein,,,,,[Ca+2],
,,,CA:C:700,Part of Protein,,,,,[Ca+2],
,,,CA:D:730,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC GLC GLC GLC:E:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC:F:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,3CKB,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,,,GLC GLC GLC:C:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,GLC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)COC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,3CK9,,,,,,,
,,,CA:A:600,Part of Protein,,,,,[Ca+2],
,,,CA:A:710,Part of Protein,,,,,[Ca+2],
,,,CA:B:700,Part of Protein,,,,,[Ca+2],
,,,CA:B:720,Part of Protein,,,,,[Ca+2],
,,,EDO:A:730,invalid,,,,,C(CO)O,
,,,EDO:A:731,invalid,,,,,C(CO)O,
,,,EDO:A:736,invalid,,,,,C(CO)O,
,,,EDO:A:737,invalid,,,,,C(CO)O,
,,,EDO:A:747,invalid,,,,,C(CO)O,
,,,EDO:B:732,invalid,,,,,C(CO)O,
,,,EDO:B:733,invalid,,,,,C(CO)O,
,,,EDO:B:734,invalid,,,,,C(CO)O,
,,,EDO:B:741,invalid,,,,,C(CO)O,
,,,EDO:B:742,invalid,,,,,C(CO)O,
,,,EDO:B:744,invalid,,,,,C(CO)O,
,,,EDO:B:748,invalid,,,,,C(CO)O,
,,,EDO:B:749,invalid,,,,,C(CO)O,
,,,GLC GLC GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,,,GLC GLC GLC GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(C(CO)O1)O2,
,Family. Representative Entry is ,6I24,,,,,,,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:415,invalid,,,,,C(CO)O,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,EDO:A:411,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:410,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,5DD:A:418,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ACT:A:401,invalid,,,,,CC(=O)[O-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,9O9:A:419,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,PEG:A:417,invalid,,,,,C(COCCO)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,6I25,,,,,,,
,,,5DD:A:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,,,9O9:A:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6I21,,,,,,,
,,,PEG:A:411,invalid,,,,,C(COCCO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:412,invalid,,,,,C(COCCO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:401,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,FMN:A:414,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:413,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:408,Part of Protein,,,,,[Mg+2],
,,,MG:A:409,invalid,,,,,[Mg+2],
,,,CL:A:407,invalid,,,,,[Cl-],
,,6I22,,,,,,,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,6I23,,,,,,,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,ACT:B:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:403,invalid,,,,,CC(=O)[O-],
,,,9O9:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,9O9:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5B0W,,,,,,,
,,,L3P:A:304,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:F:302,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:F:303,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:B:302,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:G:302,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:303,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,BNG:A:305,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:306,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:303,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:F:304,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:307,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:G:303,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:G:304,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,RET:A:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:E:302,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:D:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:G:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,22B:A:302,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,RET RET:B:301,invalid,,,,,,
,,5ETZ,,,,,,,
,,,L3P:A:304,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:B:302,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:303,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:D:302,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:D:303,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:B:303,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,BNG:A:305,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:306,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:304,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:D:304,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:307,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:305,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,RET:A:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:D:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:B:301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,22B:A:302,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,3A7K,,,,,,,
,,,22B:A:300,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,22B:B:300,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,22B:D:300,valid,,,,,CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(C)C=C[C@H](CCC(C)(C)O)C(C)(C)O)C=CC=C(/C)C=CC=C(/C)C=C[C@H](CCC(C)(C)O)C(C)(C)O,
,,,CL:A:401,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:401,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:D:401,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,L1P:A:293,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L1P:B:293,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L1P:B:294,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:A:294,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:A:295,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:B:295,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:B:296,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:D:293,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L2P:D:294,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:296,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:297,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:298,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:299,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:301,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:331,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:A:333,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:B:331,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,L3P:D:330,invalid,,,,,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,
,,,RET:A:292,Part of Protein,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:B:292,Part of Protein,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,RET:D:292,Part of Protein,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,Family. Representative Entry is ,4X1B,,,,,,,
,,,FE:A:701,Part of Protein,,,,,[Fe+3],
,,,MLI:A:702,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,GOL:A:703,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5L9N,,,,,,,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,ATP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,1NA3,,,,,,,
,,,IPT:A:201,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,IPT:B:151,valid,,,,,CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,,MG:B:301,invalid,,,,,[Mg+2],
,,,MG:B:336,invalid,,,,,[Mg+2],
,,,TRS:A:101,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,2UYP,,,,,,,
,,,PPI:B:1129,valid,,,,,CCC(=O)O,
,,,PPI:C:1129,valid,,,,,CCC(=O)O,
,Family. Representative Entry is ,5MRH,,,,,,,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,Q9Z:A:805,valid,ic50,=,0.0000631,M,CC(C)CCN1CC(=O)N=N1,
,,,PGE:A:806,invalid,,,,,C(COCCOCCO)O,
,,5MRI,,,,,,,
,,,Q9Y:A:807,valid,,,,,CC(C)CCn1c(c(nn1)O)C(=O)NC,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:806,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,5LYN,,,,,,,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:D:101,invalid,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:304,invalid,,,,,[Zn+2],
,,,ZN:B:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:305,Part of Protein,,,,,[Zn+2],
,,,ZN:A:301,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:B:301,Part of Protein,,,,,[Zn+2],
,,,PRO THR VAL GLU GLU VAL ASP:D:1,valid,Kd,=,9.04,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(C)C)CC(=O)[O-],
,,,PRO THR VAL GLU GLU VAL ASP:C:1,valid,Kd,=,9.04,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C(O)C)C(C)C)CCC(=O)[O-])CCC(=O)[O-])C(C)C)CC(=O)[O-],
,Family. Representative Entry is ,6P5Q,,,,,,,
,,,FE:B:302,Part of Protein,,,,,[Fe+3],
,,,FE:A:302,Part of Protein,,,,,[Fe+3],
,,,FE:B:303,Part of Protein,,,,,[Fe+3],
,,,FE:A:303,Part of Protein,,,,,[Fe+3],
,,,DAO:A:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,DAO:B:301,valid,,,,,CCCCCCCCCCCC(=O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5TQZ,,,,,,,
,,,GLC:A:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:B:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:D:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,,GLC:C:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,5M6O,,,,,,,
,,,MAN:D:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:C:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:201,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6ITD,,,,,,,
,,,IKT:A:401,valid,,,,,C[C@@H]([C@@H](CCCCCC(=O)O)CC(=O)O)N,
,,6K37,,,,,,,
,,,CWL:A:402,valid,,,,,C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4IF4,,,,,,,
,,,BEF:C:301,valid,,,,,[Be-](F)(F)F,
,,,BEF:A:301,valid,,,,,[Be-](F)(F)F,
,,,BEF:D:301,valid,,,,,[Be-](F)(F)F,
,,,BEF:B:301,valid,,,,,[Be-](F)(F)F,
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
,,,MG:D:300,Part of Protein,,,,,[Mg+2],
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:C:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5VYH,,,,,,,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:405,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,FOL:A:409,valid,,,,,c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C(N3)N,
,,,MPD:A:410,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,IMD:A:411,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,5FPX,,,,,,,
,,,NI:A:1105,Part of Protein,,,,,[Ni+2],
,,,NI:B:1105,Part of Protein,,,,,[Ni+2],
,,,GLY SER SER HIS HIS HIS HIS HIS:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C[NH3+])CO)CO,
,,,GLY SER SER HIS HIS HIS HIS HIS:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)Cc1nc[nH]c1)C(NC(=O)C(NC(=O)C[NH3+])CO)CO,
,,5FPZ,,,,,,,
,,,NI:A:1111,Part of Protein,,,,,[Ni+2],
,,,MLA:A:1112,valid,,,,,C(C(=O)O)C(=O)O,
,Family. Representative Entry is ,4ZB8,,,,,,,
,,,GDS:A:300,valid,Kd,=,0.94,uM,C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,4ZBD,,,,,,,
,,,GSH:B:301,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:301,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:300,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:A:300,valid,Kd,=,1.6,uM,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,3KO0,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:E:301,Part of Protein,,,,,[Ca+2],
,,,CA:E:302,Part of Protein,,,,,[Ca+2],
,,,CA:F:301,Part of Protein,,,,,[Ca+2],
,,,CA:F:302,Part of Protein,,,,,[Ca+2],
,,,CA:G:301,Part of Protein,,,,,[Ca+2],
,,,CA:G:302,Part of Protein,,,,,[Ca+2],
,,,CA:H:301,Part of Protein,,,,,[Ca+2],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,CA:I:301,Part of Protein,,,,,[Ca+2],
,,,CA:I:302,Part of Protein,,,,,[Ca+2],
,,,CA:J:301,Part of Protein,,,,,[Ca+2],
,,,CA:J:302,Part of Protein,,,,,[Ca+2],
,,,CA:K:301,Part of Protein,,,,,[Ca+2],
,,,CA:K:302,Part of Protein,,,,,[Ca+2],
,,,CA:L:301,Part of Protein,,,,,[Ca+2],
,,,CA:L:302,Part of Protein,,,,,[Ca+2],
,,,CA:M:301,Part of Protein,,,,,[Ca+2],
,,,CA:M:302,Part of Protein,,,,,[Ca+2],
,,,CA:N:301,Part of Protein,,,,,[Ca+2],
,,,CA:N:302,Part of Protein,,,,,[Ca+2],
,,,CA:O:301,Part of Protein,,,,,[Ca+2],
,,,CA:O:302,Part of Protein,,,,,[Ca+2],
,,,CA:P:301,Part of Protein,,,,,[Ca+2],
,,,CA:P:302,Part of Protein,,,,,[Ca+2],
,,,CA:Q:301,Part of Protein,,,,,[Ca+2],
,,,CA:Q:302,Part of Protein,,,,,[Ca+2],
,,,CA:R:301,Part of Protein,,,,,[Ca+2],
,,,CA:R:302,Part of Protein,,,,,[Ca+2],
,,,CA:S:301,Part of Protein,,,,,[Ca+2],
,,,CA:S:302,Part of Protein,,,,,[Ca+2],
,,,CA:T:301,Part of Protein,,,,,[Ca+2],
,,,CA:T:302,Part of Protein,,,,,[Ca+2],
,,,TFP:A:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:A:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:B:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:B:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:C:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:C:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:D:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:D:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:E:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:E:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:F:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:F:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:G:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:G:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:H:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:H:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:I:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:I:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:J:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:J:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:K:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:K:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:L:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:L:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:M:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:M:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:N:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:N:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:O:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:O:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:P:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:P:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:Q:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:Q:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:R:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:R:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:S:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:S:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:T:201,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,,,TFP:T:202,valid,,,,,CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F,
,Family. Representative Entry is ,2IL4,,,,,,,
,,,COA:A:104,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,2Q4Y,,,,,,,
,,,COA:A:104,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,5KWY,,,,,,,
,,,C3S:D:203,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,C3S:C:203,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C,
,,,NAG:D:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:202,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,3ICC,,,,,,,
,,,CL:A:292,invalid,,,,,[Cl-],
,,,CL:A:293,invalid,,,,,[Cl-],
,,,CL:B:291,invalid,,,,,[Cl-],
,,,CL:B:294,invalid,,,,,[Cl-],
,,,MES:B:401,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAP:A:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,NAP:B:300,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5L7K,,,,,,,
,,,GLY THR ALA SER SER LEU MYR:B:2,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(C)C)CO)CO)C)C(NC(=O)C[NH2+]C(=O)CCCCCCCCCCCCC)C(O)C,
,Family. Representative Entry is ,2VZZ,,,,,,,
,,,SCA:A:601,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:B:601,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:C:601,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,,,SCA:D:601,valid,,,,,CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O,
,Family. Representative Entry is ,5SVV,,,,,,,
,,,FMN:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,ACT:B:5202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:5202,invalid,,,,,CC(=O)[O-],
,,,ACT:C:5202,invalid,,,,,CC(=O)[O-],
,,,GOL:C:5203,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:5203,invalid,,,,,C(C(CO)O)O,
,,5SVG,,,,,,,
,,,FMN:C:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,5SVW,,,,,,,
,,,FMN:C:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:A:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:5201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2HEK,,,,,,,
,,,BR:B:603,invalid,,,,,[Br-],
,,,CL:A:604,invalid,,,,,[Cl-],
,,,CL:A:606,invalid,,,,,[Cl-],
,,,CL:B:605,invalid,,,,,[Cl-],
,,,CL:B:607,invalid,,,,,[Cl-],
,,,CL:B:608,invalid,,,,,[Cl-],
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:409,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:503,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:504,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1HFA,,,,,,,
,,,PIO:A:300,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC,
,,1HG2,,,,,,,
,,,IP2:A:1282,valid,,,,,[C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O,
,,1HG5,,,,,,,
,,,IHP:A:1282,valid,,,,,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,Family. Representative Entry is ,5TKK,,,,,,,
,,,ALA VAL GLY ILE GLY ALA VAL PHE:A:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,6BR7,,,,,,,
,,,BEF:B:301,valid,,,,,[Be-](F)(F)F,
,,,BEF:A:301,valid,,,,,[Be-](F)(F)F,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1WN3,,,,,,,
,,,ACT:E:2007,invalid,,,,,CC(=O)[O-],
,,,CL:B:2001,invalid,,,,,[Cl-],
,,,CL:F:2002,invalid,,,,,[Cl-],
,,,HXC:C:2003,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:D:2004,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:E:2005,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,HXC:F:2006,valid,,,,,CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,1WLV,,,,,,,
,,,ACT:E:2007,invalid,,,,,CC(=O)[O-],
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,CL:H:2002,invalid,,,,,[Cl-],
,,,COA:C:2003,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:2004,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:2006,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:H:2005,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,1I7L,,,,,,,
,,,ATP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6MTU,,,,,,,
,,,PEG:A:903,invalid,,,,,C(COCCO)O,
,,,PEG:A:901,invalid,,,,,C(COCCO)O,
,,,PEG:B:905,invalid,,,,,C(COCCO)O,
,,,PEG:B:904,invalid,,,,,C(COCCO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:A:902,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:B:902,invalid,,,,,C(CO)O,
,,,EDO:A:912,invalid,,,,,C(CO)O,
,,,PRO HIS THR ASN GLU THR SEP LEU:C:822,valid,Kd,=,6083,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1nc[nH]c1)C(O)C)CC(=O)N)CCC(=O)[O-])C(O)C)C(=O)NC(C(=O)[O-])CC(C)C)([O-])[O-],
,,,PRO HIS THR ASN GLU THR SEP LEU:D:822,valid,Kd,=,6083,nM,P(=O)(OCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)Cc1nc[nH]c1)C(O)C)CC(=O)N)CCC(=O)[O-])C(O)C)C(=O)NC(C(=O)[O-])CC(C)C)([O-])[O-],
,,,PO4:B:901,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:904,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,CL:A:911,invalid,,,,,[Cl-],
,,5VWK,,,,,,,
,,,PRO ALA TRP ASP GLU THR ASN LEU:H:156,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,,,PRO ALA TRP ASP GLU THR ASN LEU:E:156,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,,,PRO ALA TRP ASP GLU THR ASN LEU:F:156,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,,,PRO ALA TRP ASP GLU THR ASN LEU:G:156,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,,,SO4:D:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:904,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3MB3,,,,,,,
,,,MB3:A:1,valid,,,,,CN1CCCC1=O,
,Family. Representative Entry is ,5YSE,,,,,,,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,GLC BGC BGC BGC:C:1,valid,Kd,=,0.75,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,,GLC BGC BGC BGC:D:1,valid,Kd,=,0.75,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,,5YSD,,,,,,,
,,,MPD:B:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,GLC BGC BGC:D:1,valid,Kd,=,11.3,uM,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,,GLC BGC BGC:C:1,valid,Kd,=,11.3,uM,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,5YSF,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,BGC BGC BGC BGC BGC:D:1,valid,Kd,=,1.31,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,BGC BGC BGC BGC BGC:C:1,valid,Kd,=,1.31,uM,O(C1C(O)C(OC2C(O)C(O)OC(CO)C2O)OC(CO)C1O)C1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(O)C(CO)O1,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,Family. Representative Entry is ,6ASZ,,,,,,,
,,,GLN THR ALA ARG M3L SER:P:5,valid,Kd,=,19,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCC[N+](C)(C)C)CCCNC(=[NH2+])N)C)C(NC(=O)C([NH3+])CCC(=O)N)C(O)C,
,,6AT0,,,,,,,
,,,GLN THR ALA ARG M3L SER:P:5,valid,Kd,=,91.7,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CCCC[N+](C)(C)C)CCCNC(=[NH2+])N)C)C(NC(=O)C([NH3+])CCC(=O)N)C(O)C,
,Family. Representative Entry is ,1P99,,,,,,,
,,,GLY MET:A:300,valid,,,,,S(CCC(NC(=O)CN)C(=O)[O-])C,
,Family. Representative Entry is ,5VAN,,,,,,,
,,,MAN:A:1006,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:1007,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MES:A:1010,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,NAG:A:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1005,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BGC:A:1009,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:1008,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,3AQ4,,,,,,,
,,,GDP:A:183,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:183,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:182,Part of Protein,,,,,[Mg+2],
,,,MG:B:182,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,7BQV,,,,,,,
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,F4U:A:501,valid,Kd,=,2.28,uM,c1cc2c(cc1O)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=O,
,Family. Representative Entry is ,5YRM,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC GLC:C:1,valid,,,,,,
,Family. Representative Entry is ,4WE5,,,,,,,
,,,NAG:A:410,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:409,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:D:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,5VTY,,,,,,,
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG:E:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:O:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5VTR,,,,,,,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:N:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:E:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:M:1,invalid,,,,,,
,,,SIA:E:509,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:C:509,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG GAL SIA:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5VTV,,,,,,,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:E:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,TAM:E:508,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,NAG NAG BMA MAN:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:J:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,5VU4,,,,,,,
,,,SIA:E:409,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:C:409,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG:E:407,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:408,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA MAN MAN:J:1,invalid,,,,,,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA MAN:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,6BKQ,,,,,,,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,TAM:E:509,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,TAM:C:510,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,NAG NAG BMA MAN MAN:K:1,invalid,,,,,,
,,,NAG NAG BMA MAN MAN:N:1,invalid,,,,,,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:M:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,5VTW,,,,,,,
,,,TAM:E:507,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG:C:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,SIA:A:410,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,5DSC,,,,,,,
,,,GLY 5CT GLY SER GLY:P:3,valid,,,,,O=C(NCC=O)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+])CO,
,,,GLY 5CT GLY SER GLY:Q:3,valid,,,,,O=C(NCC=O)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+])CO,
,,,GLY 5CT GLY SER GLY:M:3,valid,,,,,O=C(NCC=O)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+])CO,
,,,GLY 5CT GLY SER GLY:N:3,valid,,,,,O=C(NCC=O)C(NC(=O)CNC(=O)C(NC(=O)C[NH3+])CCCC[NH2+]CC(O)CC[NH3+])CO,
,Family. Representative Entry is ,3BH7,,,,,,,
,,,GDP ALF:A:2,valid,,,,,P(=O)(OP(=O)(OCC1C(O)C(O)C(n2c3N=C(N)NC(=O)c3nc2)O1)[O-])(O[Al-2](F)(F)(F)F)[O-],
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5WRE,,,,,,,
,,,7TL:F:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,7TL:D:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,7TL:B:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,7TL:E:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,7TL:A:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,7TL:C:201,valid,ic50,=,0.39,uM,COC(=O)C1=C(NC(=N[C@H]1c2ccc(cc2Cl)F)c3nccs3)CN4CC(C[C@H]4C(=O)O)(F)F,
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,,CL:B:203,invalid,,,,,[Cl-],
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:C:202,invalid,,,,,CC(C)O,
,,,IPA:E:203,invalid,,,,,CC(C)O,
,,,IPA:D:202,invalid,,,,,CC(C)O,
,,,IPA:E:202,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,5E0I,,,,,,,
,,,5J6:E:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,,5J6:D:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,,5J6:F:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,,5J6:A:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,,5J6:C:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,,5J6:B:500,valid,,,,,COC(=O)c1c(nc(nc1c2ccc(cc2Br)F)c3nccs3)CN4CCOCC4,
,,5GMZ,,,,,,,
,,,6XU:E:205,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:C:202,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:A:206,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:B:202,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:D:204,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:F:202,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,6XU:A:205,valid,,,,,C[C@@]1(C(=C(NC(=N1)c2nccs2)CN3CC(C[C@H]3C(=O)O)(F)F)C(=O)OC)c4ccc(cc4)F,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:201,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:204,invalid,,,,,CC(C)O,
,,,IPA:A:201,invalid,,,,,CC(C)O,
,,,IPA:E:203,invalid,,,,,CC(C)O,
,,,IPA:C:201,invalid,,,,,CC(C)O,
,,,IPA:E:204,invalid,,,,,CC(C)O,
,,,IPA:D:202,invalid,,,,,CC(C)O,
,,,IPA:E:202,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:E:201,invalid,,,,,CC(C)O,
,,,IPA:D:201,invalid,,,,,CC(C)O,
,,,CL:D:203,invalid,,,,,[Cl-],
,,5T2P,,,,,,,
,,,DMS:C:202,invalid,,,,,CS(=O)C,
,,,DMS:B:202,invalid,,,,,CS(=O)C,
,,,K89:C:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,K89:B:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,K89:A:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,K89:D:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,K89:F:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,K89:E:201,valid,ic50,=,1.9,uM,c1cc(c(cc1C(=O)Nc2cc(c(c(c2)F)F)F)S(=O)(=O)N3CCC(CC3)O)F,
,,,CL:F:202,invalid,,,,,[Cl-],
,,,CL:D:203,invalid,,,,,[Cl-],
,,,CL:E:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:C:203,invalid,,,,,[Cl-],
,,,GOL:D:205,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:206,invalid,,,,,C(C(CO)O)O,
,,,IPA:E:203,invalid,,,,,CC(C)O,
,,,IPA:E:204,invalid,,,,,CC(C)O,
,,,IPA:F:203,invalid,,,,,CC(C)O,
,,,IPA:C:206,invalid,,,,,CC(C)O,
,,,IPA:C:204,invalid,,,,,CC(C)O,
,,,IPA:D:204,invalid,,,,,CC(C)O,
,,,IPA:A:203,invalid,,,,,CC(C)O,
,,,IPA:A:202,invalid,,,,,CC(C)O,
,,,IPA:B:203,invalid,,,,,CC(C)O,
,,,IPA:C:205,invalid,,,,,CC(C)O,
,,6J10,,,,,,,
,,,B4O:B:801,valid,Kd,=,445,nM,CC1=CC(=O)N(C(=C1)C2CCCCC2)O,
,,,B4O:D:801,valid,Kd,=,445,nM,CC1=CC(=O)N(C(=C1)C2CCCCC2)O,
,,,B4O:F:801,valid,Kd,=,445,nM,CC1=CC(=O)N(C(=C1)C2CCCCC2)O,
,Family. Representative Entry is ,3QRC,,,,,,,
,,,C8E:A:183,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:184,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:1,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:183,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:184,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:185,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:186,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,GU4 YYJ:C:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,,GU4 YYJ:D:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,Family. Representative Entry is ,4MZU,,,,,,,
,,,TDR:J:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:F:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:A:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:K:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:L:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:C:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:E:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:D:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,TDR:B:403,valid,,,,,CC1=CNC(=O)NC1=O,
,,,COA:I:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:L:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:G:403,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:K:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:J:401,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,TYD:I:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:H:401,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:J:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:F:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:L:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:K:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:G:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:402,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:J:404,Part of Protein,,,,,[Mg+2],
,,,MG:G:404,Part of Protein,,,,,[Mg+2],
,,,MG:C:404,Part of Protein,,,,,[Mg+2],
,,,MG:B:404,Part of Protein,,,,,[Mg+2],
,,,MG:D:404,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4G5G,,,,,,,
,,,GDP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4CGU,,,,,,,
,,,SER ARG MET GLU GLU VAL ASP:C:718,valid,,,,,S(CCC(NC(=O)C(NC(=O)C([NH3+])CO)CCC)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)[O-])C(C)C)CCC(=O)[O-])C)C,
,,,GOL:A:1112,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6T1B,,,,,,,
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,NOS:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,Family. Representative Entry is ,2XCB,,,,,,,
,,,ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN:C:48,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCC1)C)CC(=O)N)CC(C)C)CCC(=O)[O-])C(NC(=O)C(N)C)C(C)C,
,,,NO3:B:1157,invalid,,,,,[N+](=O)([O-])[O-],
,,4JL0,,,,,,,
,,,TRS:A:201,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,THR GLY VAL ALA LEU THR PRO PRO SER:C:51,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C=O)CO)CCC2)CCC1)C(O)C)CC(C)C)C)C(C)C)C([NH3+])C(O)C,
,,,THR GLY VAL ALA LEU THR PRO PRO SER:D:53,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C(=O)N2C(C(=O)NC(C=O)CO)CCC2)CCC1)C(O)C)CC(C)C)C)C(C)C)C([NH3+])C(O)C,
,Family. Representative Entry is ,5O0Z,,,,,,,
,,,ACY:A:106,invalid,,,,,CC(=O)O,
,,,ACY:B:104,invalid,,,,,CC(=O)O,
,,,ACY:A:105,invalid,,,,,CC(=O)O,
,,,CA:A:102,Part of Protein,,,,,[Ca+2],
,,,CA:A:103,Part of Protein,,,,,[Ca+2],
,,,CA:B:103,Part of Protein,,,,,[Ca+2],
,,,CA:B:102,Part of Protein,,,,,[Ca+2],
,,,CL:A:104,invalid,,,,,[Cl-],
,,,9GB:A:101,valid,,,,,CCC/C(=C/COP(=O)(O)O)/C,
,,,9GB:B:101,valid,,,,,CCC/C(=C/COP(=O)(O)O)/C,
,Family. Representative Entry is ,5EE5,,,,,,,
,,,NA:A:302,invalid,,,,,[Na+],
,,,NA:B:210,invalid,,,,,[Na+],
,,,NA:B:211,invalid,,,,,[Na+],
,,,NA:A:305,invalid,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:B:212,invalid,,,,,[Na+],
,,,NA:A:303,invalid,,,,,[Na+],
,,,NA:B:207,Part of Protein,,,,,[Na+],
,,,NA:B:208,invalid,,,,,[Na+],
,,,NA:A:306,invalid,,,,,[Na+],
,,,NA:A:301,invalid,,,,,[Na+],
,,,NA:B:206,invalid,,,,,[Na+],
,,,NA:B:209,invalid,,,,,[Na+],
,,,NA:B:213,Part of Protein,,,,,[Na+],
,,,MG:B:204,Part of Protein,,,,,[Mg+2],
,,,MG:B:205,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GTP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,CL:A:313,invalid,,,,,[Cl-],
,,,CL:A:310,invalid,,,,,[Cl-],
,,,CL:A:312,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:A:311,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:B:215,invalid,,,,,[Cl-],
,,,GOL:A:307,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:214,invalid,,,,,C(C(CO)O)O,
,,,ACT:B:216,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,2FF6,,,,,,,
,,,ATP:A:900,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:700,Part of Protein,,,,,[Ca+2],
,,,CA:G:701,Part of Protein,,,,,[Ca+2],
,,,CA:G:702,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,4OD7,,,,,,,
,,,SCN:A:202,invalid,,,,,C(#N)[S-],
,,,SCN:C:201,invalid,,,,,C(#N)[S-],
,,,SCN:C:202,invalid,,,,,C(#N)[S-],
,,,SCN:A:201,invalid,,,,,C(#N)[S-],
,,,ACE PRO TRP ALA THR CYS ASP SER NH2:D:65,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)Cc1c2c([nH]c1)cccc2)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)[NH3+])CO)CC(=O)[O-],
,,,ACE PRO TRP ALA THR CYS ASP SER NH2:F:65,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)Cc1c2c([nH]c1)cccc2)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)[NH3+])CO)CC(=O)[O-],
,,,ACE PRO TRP ALA THR CYS ASP SER NH2:E:65,valid,,,,,SCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C)CCC1)Cc1c2c([nH]c1)cccc2)C)C(O)C)C(=O)NC(C(=O)NC(C(=O)[NH3+])CO)CC(=O)[O-],
,Family. Representative Entry is ,2X2T,,,,,,,
,,,PG4:A:1159,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:1160,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1155,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1156,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1157,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1158,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NGA GAL:B:1,valid,,,,,,
,Family. Representative Entry is ,4ZU5,,,,,,,
,,,THM:B:202,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,THM:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O,
,,,PXN:B:201,invalid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,4O9G,,,,,,,
,,,T46:A:201,valid,,,,,C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O,
,,,T46:B:201,valid,,,,,C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)O,
,,,EDO:B:202,invalid,,,,,C(CO)O,
,,,4TD:B:203,invalid,,,,,C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O,
,,4ZU7,,,,,,,
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:F:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:G:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:D:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:E:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:C:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:H:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,PXN:D:202,invalid,,,,,C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O,
,,4O9E,,,,,,,
,,,TYD:B:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:A:201,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,4TD:B:202,invalid,,,,,C[C@H](COCC(COC[C@H](C)O)(COC[C@H](C)O)COC[C@H](C)O)O,
,,,TDR:A:202,valid,,,,,CC1=CNC(=O)NC1=O,
,Family. Representative Entry is ,2Q4X,,,,,,,
,,,HMH:A:1300,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:B:1301,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4RZ3,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6HQD,,,,,,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,HEM:C:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:501,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,PGE:B:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:503,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:504,invalid,,,,,C(COCCOCCO)O,
,,,SRT:A:502,valid,,,,,[C@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,2YOA,,,,,,,
,,,CA:B:1003,Part of Protein,,,,,[Ca+2],
,,,CA:B:1002,Part of Protein,,,,,[Ca+2],
,,,CA:B:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1001,Part of Protein,,,,,[Ca+2],
,,,CA:A:1005,invalid,,,,,[Ca+2],
,,,CA:A:1003,Part of Protein,,,,,[Ca+2],
,,,CA:A:1002,Part of Protein,,,,,[Ca+2],
,,,SCN:B:1007,invalid,,,,,C(#N)[S-],
,,,SCN:B:1009,invalid,,,,,C(#N)[S-],
,,,SCN:A:1006,invalid,,,,,C(#N)[S-],
,,,SCN:B:1008,invalid,,,,,C(#N)[S-],
,,,SCN:A:1007,invalid,,,,,C(#N)[S-],
,,,SEP:B:1004,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,,,SEP:A:1004,valid,,,,,C([C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,5UDK,,,,,,,
,,,CA:A:505,Part of Protein,,,,,[Ca+2],
,,,CA:A:506,Part of Protein,,,,,[Ca+2],
,,,PGE:A:504,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:501,invalid,,,,,C(COCCOCCO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,PEG:A:502,invalid,,,,,C(COCCO)O,
,,,ATP A   A   A  :B:1,valid,ic50,~,500,nM,P(=O)(OP(=O)(OCC1C(OP(=O)(OCC2C(OP(=O)(OCC3C(OP(=O)(OCC4C(O)C(O)C(n5c6ncnc(N)c6nc5)O4)[O-])C(O)C(n4c5ncnc(N)c5nc4)O3)[O-])C(O)C(n3c4ncnc(N)c4nc3)O2)[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])(OP(=O)([O-])[O-])[O-],
,Family. Representative Entry is ,3SMA,,,,,,,
,,,ACO:A:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:D:300,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5NNT,,,,,,,
,,,DPV:A:101,valid,,,,,CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C,
,,,DPV:B:101,valid,,,,,CCCCCCCCCCCCO[P@](=O)([O-])OCC[N+](C)(C)C,
,Family. Representative Entry is ,3TJH,,,,,,,
,,,SER PRO LEU ASP SER LEU TRP TRP ILE:B:1,valid,Kd,=,3.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])CO)CCC1)CC(C)C)CC(=O)[O-])CO)CC(C)C)Cc1c2c([nH]c1)cccc2)Cc1c2c([nH]c1)cccc2)C(CC)C,
,Family. Representative Entry is ,5IXG,,,,,,,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,OTP:C:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,OTP:A:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,OTP:D:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,OTP:B:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,6XTZ,,,,,,,
,,,NAG:A:701,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GOL:A:704,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:707,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:705,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:706,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:702,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,O18:A:703,valid,,,,,CCCCCC/C=CCCCCCCCC(=O)OC[C@@H](C=O)N,
,Family. Representative Entry is ,5GS9,,,,,,,
,,,ARG:B:401,valid,Kd,=,5.5,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:401,valid,Kd,=,5.5,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:401,valid,Kd,=,5.5,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:401,valid,Kd,=,5.5,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,5I2C,,,,,,,
,,,ARG:B:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:A:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:C:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ARG:D:401,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:A:402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,,,ACT:B:402,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6O1T,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,OLA:B:301,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,OLA:A:304,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,1SQS,,,,,,,
,,,TLA:A:601,valid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,1VQW,,,,,,,
,,,EPE:A:502,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:503,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,2YGN,,,,,,,
,,,ACT:A:1181,invalid,,,,,CC(=O)[O-],
,,,NAG:A:1180,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,PCF:A:1179,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,3UNG,,,,,,,
,,,ADP:C:904,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:C:901,Part of Protein,,,,,[Ca+2],
,,,CA:C:902,Part of Protein,,,,,[Ca+2],
,,,ZN:C:903,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5EPA,,,,,,,
,,,AKG:C:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:301,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE:C:300,Part of Protein,,,,,[Fe+3],
,,,FE:A:300,Part of Protein,,,,,[Fe+3],
,,,FE:E:300,Part of Protein,,,,,[Fe+3],
,,,FE:B:301,Part of Protein,,,,,[Fe+3],
,,,FE:D:301,Part of Protein,,,,,[Fe+3],
,,,FE:F:300,Part of Protein,,,,,[Fe+3],
,,,MG:B:303,invalid,,,,,[Mg+2],
,,,MG:D:304,invalid,,,,,[Mg+2],
,,,MG:D:303,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,5DZT,,,,,,,
,,,ZN:A:1001,Part of Protein,,,,,[Zn+2],
,,,AMP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6PE3,,,,,,,
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5W7K,,,,,,,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,CL:B:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5D85,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,P1T:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=C)C(=O)O)O,
,,,FLC:A:401,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,5CKW,,,,,,,
,,,CA:A:504,Part of Protein,,,,,[Ca+2],
,,,CA:B:504,invalid,,,,,[Ca+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,ANP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,4D0G,,,,,,,
,,,MG:A:1175,Part of Protein,,,,,[Mg+2],
,,,GTP:A:900,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2ZE3,,,,,,,
,,,AKG:A:276,valid,Ki,=,0.9,mM,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,2VJ0,,,,,,,
,,,BEN:A:1939,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,CL:A:1944,invalid,,,,,[Cl-],
,,,DTD:A:1940,invalid,,,,,C1[C@@H]([C@H](CSS1)O)O,
,,,PHE GLU ASP ASN PHE VAL PRO:Q:1,valid,Kd,=,21,uM,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1C(C=O)CCC1)C(C)C)Cc1ccccc1)CC(=O)N)CC(=O)[O-])C([NH3+])Cc1ccccc1,
,,,SO4:A:1941,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1942,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1943,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2XRH,,,,,,,
,,,NIO:A:200,valid,,,,,c1cc(cnc1)C(=O)O,
,Family. Representative Entry is ,6E2B,,,,,,,
,,,SO4:A:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:P:103,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:C:102,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:103,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:102,invalid,,,,,C(C(CO)O)O,
,,,PT7:A:105,valid,,,,,c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl,
,,,PT7:C:103,valid,,,,,c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl,
,,,PT7:P:104,valid,,,,,c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4(c5ccccc5C6=CC=CC=[N]64)Cl,
,Family. Representative Entry is ,6UPQ,,,,,,,
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,GDP:A:1401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2R85,,,,,,,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,MPD:A:500,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:500,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:600,Part of Protein,,,,,[Na+],
,,,NA:B:600,Part of Protein,,,,,[Na+],
,,2R87,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:500,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:E:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2R84,,,,,,,
,,,AMP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMZ:A:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,AMZ:B:401,valid,,,,,c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N,
,,,CL:A:601,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,MPD:A:500,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:600,Part of Protein,,,,,[Na+],
,,,NA:B:600,Part of Protein,,,,,[Na+],
,,2R86,,,,,,,
,,,ATP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MPD:A:500,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,NA:A:600,Part of Protein,,,,,[Na+],
,,,NA:B:600,Part of Protein,,,,,[Na+],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5LTJ,,,,,,,
,,,MPD:A:807,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:810,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:804,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:805,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:808,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:809,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:806,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:815,invalid,,,,,[Cl-],
,,,CL:A:813,invalid,,,,,[Cl-],
,,,CL:A:816,invalid,,,,,[Cl-],
,,,CL:A:814,invalid,,,,,[Cl-],
,,,ADP:A:801,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:812,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MRD:A:811,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MG:A:803,Part of Protein,,,,,[Mg+2],
,,,BEF:A:802,valid,,,,,[Be-](F)(F)F,
,,6QID,,,,,,,
,,,MPD:A:1312,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1301,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1308,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1307,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1310,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1311,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:1309,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PEG:A:1313,invalid,,,,,C(COCCO)O,
,,,PEG:A:1306,invalid,,,,,C(COCCO)O,
,,,SO4:A:1320,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1321,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:A:1316,invalid,,,,,[Cl-],
,,,CL:A:1315,invalid,,,,,[Cl-],
,,,CL:A:1318,invalid,,,,,[Cl-],
,,,CL:A:1317,invalid,,,,,[Cl-],
,,,CL:A:1314,invalid,,,,,[Cl-],
,,,MG:A:1319,Part of Protein,,,,,[Mg+2],
,,,ADP BEF:A:1322,valid,,,,,P(=O)(OP(=O)([O-])[O-])(OCC1C(O)C(O)C(n2c3ncnc(N)c3nc2)O1)[O-].[F-].[F-].[F-].[BeH2+2],
,Family. Representative Entry is ,3AQT,,,,,,,
,,,RCO:A:230,valid,Kd,=,0.19,uM,c1cc(cc(c1)O)O,
,,,RCO:B:230,valid,Kd,=,0.19,uM,c1cc(cc(c1)O)O,
,Family. Representative Entry is ,5LAU,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,5L9Q,,,,,,,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ADP:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,5L9K,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:203,invalid,,,,,C(C(CO)O)O,
,,,AR6:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,,,AR6:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,1WDI,,,,,,,
,,,CIT:A:1322,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,7BWL,,,,,,,
,,,UQ8:A:201,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,2GUD,,,,,,,
,,,BMA:A:123,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:A:126,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,MAN:A:122,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:124,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:125,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:122,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:123,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:124,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,SO4:B:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3W2W,,,,,,,
,,,MG:A:904,Part of Protein,,,,,[Mg+2],
,,,MG:B:401,invalid,,,,,[Mg+2],
,,,ATP:A:902,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:903,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ZN:A:901,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,7AFW,,,,,,,
,,,R9Q:A:401,valid,Kd,=,915,uM,CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N,
,Family. Representative Entry is ,3WYA,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6K4Z,,,,,,,
,,,SO4:A:1202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NPA:A:1201,valid,,,,,c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O,
,,,NPA:B:1201,valid,,,,,c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O,
,,,GOL:A:1203,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6RM9,,,,,,,
,,,ACT:A:1004,invalid,,,,,CC(=O)[O-],
,,,ACT:A:1003,invalid,,,,,CC(=O)[O-],
,,,PEG:C:301,invalid,,,,,C(COCCO)O,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1006,invalid,,,,,C(C(CO)O)O,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RMB,,,,,,,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6RM8,,,,,,,
,,,CL:A:1014,invalid,,,,,[Cl-],
,,,CL:A:1013,invalid,,,,,[Cl-],
,,,CL:A:1012,invalid,,,,,[Cl-],
,,,SO4:A:1008,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1006,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1011,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1010,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1005,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1004,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1009,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1007,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1003,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BTB:A:1015,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,ADP:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1002,Part of Protein,,,,,[Mg+2],
,,,PEG:A:1016,invalid,,,,,C(COCCO)O,
,,6RMA,,,,,,,
,,,CL:A:1001,invalid,,,,,[Cl-],
,,,ADP:A:1002,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1003,Part of Protein,,,,,[Mg+2],
,,,GOL:A:1005,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:1004,invalid,,,,,CC(C)O,
,Family. Representative Entry is ,3Q87,,,,,,,
,,,SAM:B:300,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ZN:A:126,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,3L9R,,,,,,,
,,,CL:C:287,invalid,,,,,[Cl-],
,,,CL:G:288,invalid,,,,,[Cl-],
,,,GOL:A:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:286,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:288,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:284,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:285,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:286,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:287,invalid,,,,,C(C(CO)O)O,
,,,L9Q:C:284,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,L9Q:G:289,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,L9R:A:284,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,L9R:E:285,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,NAG:A:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:508,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:500,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG FUC BMA:J:1,Part of Protein,,,,,,
,,,NAG FUC NAG FUC BMA:L:1,Part of Protein,,,,,,
,,,NAG FUC NAG FUC BMA:K:1,Part of Protein,,,,,,
,,,NAG FUC NAG FUC BMA MAN:I:1,Part of Protein,,,,,,
,Family. Representative Entry is ,2VPE,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA:P:1,valid,Kd,=,11.4,uM,,
,,,ALA ARG THR MLY GLN THR ALA:R:1,valid,Kd,=,11.4,uM,,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:1400,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1401,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1398,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1399,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4K55,,,,,,,
,,,H6P:A:201,valid,Kd,=,3.06,uM,C/C(=CCO[P@@](=O)(O)OP(=O)(O)O)/CO,
,,4JKW,,,,,,,
,,,IPE:A:201,valid,Kd,=,69.9,uM,CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,5TZ6,,,,,,,
,,,7OD:A:1301,valid,,,,,CC[C@H](C/C=C(C)/C(=O)O)O,
,Family. Representative Entry is ,6L7H,,,,,,,
,,,UDP:A:503,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,E7F:A:502,valid,,,,,c1cc(ccc1CCC(=O)c2c(cc(c(c2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O,
,,6L5S,,,,,,,
,,,G50:A:502,valid,,,,,c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,UDP:A:501,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,3TDV,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:503,Part of Protein,,,,,[Mg+2],
,,3TDW,,,,,,,
,,,GDP:A:500,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5TVI,,,,,,,
,,,MYR:V:102,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,O8N:W:101,valid,,,,,CCCCCCCCCCCCCCCCCCCCCCCCCCCCO,
,,,GOL:V:101,invalid,,,,,C(C(CO)O)O,
,,6IWP,,,,,,,
,,,MYR:A:101,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,6IWN,,,,,,,
,,,MYR:A:101,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:101,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,GOL:A:104,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:105,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:102,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:102,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6IWO,,,,,,,
,,,MYR:A:102,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,SO4:B:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:102,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:A:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:103,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5HMC,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,5NE:A:300,valid,,,,,Cc1cccc2c1cccc2C(=O)O,
,Family. Representative Entry is ,6KV9,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UGA:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)O,
,,6KVC,,,,,,,
,,,NAD:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,,UPG:A:402,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,Family. Representative Entry is ,6N0B,,,,,,,
,,,GDP:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6N12,,,,,,,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5M7P,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,ADP:A:502,valid,Kd,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:502,valid,Kd,=,70,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4TMZ,,,,,,,
,,,K:A:903,Part of Protein,,,,,[K+],
,,,K:B:903,Part of Protein,,,,,[K+],
,,,CL:B:906,invalid,,,,,[Cl-],
,,,CL:B:905,invalid,,,,,[Cl-],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GSP:B:901,valid,Kd,=,0.92,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:901,valid,Kd,=,0.92,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,4TMX,,,,,,,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,EDO:A:910,invalid,,,,,C(CO)O,
,,,EDO:A:909,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:B:910,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:A:908,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:B:909,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,GTP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACY:B:911,invalid,,,,,CC(=O)O,
,,4TMV,,,,,,,
,,,GOL:A:905,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:907,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:906,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:904,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:905,invalid,,,,,C(C(CO)O)O,
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,NA:A:903,Part of Protein,,,,,[Na+],
,,,NA:B:903,Part of Protein,,,,,[Na+],
,,,GSP:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,4TMT,,,,,,,
,,,EDO:B:905,invalid,,,,,C(CO)O,
,,,EDO:B:903,invalid,,,,,C(CO)O,
,,,EDO:A:904,invalid,,,,,C(CO)O,
,,,EDO:B:908,invalid,,,,,C(CO)O,
,,,EDO:A:903,invalid,,,,,C(CO)O,
,,,EDO:B:904,invalid,,,,,C(CO)O,
,,,EDO:A:907,invalid,,,,,C(CO)O,
,,,EDO:A:905,invalid,,,,,C(CO)O,
,,,EDO:B:907,invalid,,,,,C(CO)O,
,,,EDO:B:909,invalid,,,,,C(CO)O,
,,,EDO:A:906,invalid,,,,,C(CO)O,
,,,EDO:B:906,invalid,,,,,C(CO)O,
,,,ACY:B:910,invalid,,,,,CC(=O)O,
,,,MG:B:902,Part of Protein,,,,,[Mg+2],
,,,MG:A:902,Part of Protein,,,,,[Mg+2],
,,,DTT:A:909,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GSP:A:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,GSP:B:901,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,CL:B:911,invalid,,,,,[Cl-],
,,,CL:A:908,invalid,,,,,[Cl-],
,,4TMW,,,,,,,
,,,MG:A:903,Part of Protein,,,,,[Mg+2],
,,,MG:B:903,Part of Protein,,,,,[Mg+2],
,,,NA:B:902,Part of Protein,,,,,[Na+],
,,,NA:A:902,Part of Protein,,,,,[Na+],
,,,GTP:A:901,valid,Kd,=,4.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:901,valid,Kd,=,4.1,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5Z3I,,,,,,,
,,,ADE:A:301,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,5Z3J,,,,,,,
,,,NCA:A:302,valid,,,,,c1cc(cnc1)C(=O)N,
,,,IMD:A:301,invalid,,,,,c1c[nH+]c[nH]1,
,Family. Representative Entry is ,5O2Z,,,,,,,
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,ACT:B:303,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,FLC:B:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:302,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,NA:B:306,invalid,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6DZR,,,,,,,
,,,FLC:H:301,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5EJL,,,,,,,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,C2E:A:301,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:A:302,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1Y63,,,,,,,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,BR:A:401,invalid,,,,,[Br-],
,,,BR:A:402,invalid,,,,,[Br-],
,,,BR:A:403,invalid,,,,,[Br-],
,,,BR:A:404,invalid,,,,,[Br-],
,,,BR:A:405,invalid,,,,,[Br-],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:311,Part of Protein,,,,,[Mn+2],
,,,MN:A:351,Part of Protein,,,,,[Mn+2],
,,,MN:A:352,Part of Protein,,,,,[Mn+2],
,,,MN:A:353,Part of Protein,,,,,[Mn+2],
,,,MN:A:354,Part of Protein,,,,,[Mn+2],
,,,MN:A:355,Part of Protein,,,,,[Mn+2],
,,,MN:A:356,Part of Protein,,,,,[Mn+2],
,,,NA:A:501,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6UXQ,,,,,,,
,,,C8E:A:503,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:D:201,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:205,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:201,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:C:200,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:203,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:505,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:504,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,LBN:B:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,EDO:B:207,invalid,,,,,C(CO)O,
,,,EDO:B:206,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,SO4:D:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6UXN,,,,,,,
,,,SO4:K:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,8SP:F:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:H:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:J:200,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:L:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:D:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:H:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:F:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:B:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:D:201,invalid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:G:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:J:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:E:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:K:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:L:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:B:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:A:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:I:201,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,8SP:A:202,valid,,,,,CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC,
,,,GOL:C:201,invalid,,,,,C(C(CO)O)O,
,,6UXP,,,,,,,
,,,PG8:C:201,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:E:200,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:H:200,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:F:200,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:B:200,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:G:200,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:D:201,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,PG8:C:202,valid,,,,,CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC,
,,,GOL:C:204,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:202,invalid,,,,,C(C(CO)O)O,
,,6UXM,,,,,,,
,,,PEE:A:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:B:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:E:201,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:E:202,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:D:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,,PEE:C:200,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC,
,,6UXR,,,,,,,
,,,PGE:B:207,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:204,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:206,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:205,invalid,,,,,C(COCCOCCO)O,
,,,K6G:B:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O,
,,,K6G:B:202,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N](C)(C)C)O,
,,,PG4:B:203,invalid,,,,,C(COCCOCCOCCO)O,
,Family. Representative Entry is ,3WBD,,,,,,,
,,,SIA SIA SIA SIA SIA SIA SIA:C:1,valid,,,,,O=C(NC1C(C(O)C(OC2(C(=O)[O-])OC(C(O)C(OC3(C(=O)[O-])OC(C(O)C(OC4(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C4)CO)C(NC(=O)C)C(O)C3)CO)C(NC(=O)C)C(O)C2)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(OC(C(O)C3C(NC(=O)C)C(O)CC(OC(C(O)C4C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O4)CO)(C(=O)[O-])O3)CO)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,,FLC:A:2001,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,6XXZ,,,,,,,
,,,PPI:B:101,valid,,,,,CCC(=O)O,
,,,PPI:A:101,valid,,,,,CCC(=O)O,
,Family. Representative Entry is ,6H17,,,,,,,
,,,GSP:A:302,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,6H35,,,,,,,
,,,MPD:A:308,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:306,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:302,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:307,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GDP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,6HJO,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5VWI,,,,,,,
,,,PRO ALA TRP ASP GLU THR ASN LEU:C:10,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,,,PRO ALA TRP ASP GLU THR ASN LEU:D:10,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)C)Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CCC(=O)[O-])C(O)C)CC(=O)N)CC(C)C,
,Family. Representative Entry is ,5FJZ,,,,,,,
,,,ASP ASP TRP ASN TRP GLU VAL GLU ASP:R:2,valid,Kd,=,10,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP ASP TRP ASN TRP GLU VAL GLU ASP:S:2,valid,Kd,=,10,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP ASP TRP ASN TRP GLU VAL GLU ASP:P:2,valid,Kd,=,10,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,,ASP ASP TRP ASN TRP GLU VAL GLU ASP:Q:2,valid,Kd,=,10,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(C)C)CCC(=O)[O-])Cc1c2c([nH]c1)cccc2)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc1c2c([nH]c1)cccc2)CC(=O)N,
,,5FJX,,,,,,,
,,,ASP GLU ASP LYS TRP ASP ASP PHE:E:4,valid,Kd,=,11,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CC(=O)[O-])Cc1ccccc1,
,,,ASP GLU ASP LYS TRP ASP ASP PHE:D:3,valid,Kd,=,11,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CC(=O)[O-])CC(=O)[O-])Cc1ccccc1,
,Family. Representative Entry is ,3C2G,,,,,,,
,,,GLY ASP GLU VAL LYS VAL PHE ARG:C:7,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1ccccc1)C(C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(=O)[O-])CCC(=O)[O-])C(C)C,
,,,GLY ASP GLU VAL LYS VAL PHE ARG:D:7,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)Cc1ccccc1)C(C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C[NH3+])CC(=O)[O-])CCC(=O)[O-])C(C)C,
,Family. Representative Entry is ,1JF0,,,,,,,
,,,CZH:A:197,valid,,,,,c1ccc(cc1)CC2=NC(=CN3C2=N[C@@](C3=O)(Cc4ccc(cc4)O)OO)c5ccc(cc5)O,
,Family. Representative Entry is ,4D62,,,,,,,
,,,SIA:A:1455,valid,Kd,=,3.64,mM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,4D63,,,,,,,
,,,SIA:A:1455,valid,Kd,~,7,mM,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,4XFM,,,,,,,
,,,THE:A:501,valid,,,,,C([C@H]([C@@H](C(=O)[O-])O)O)O,
,Family. Representative Entry is ,2YX1,,,,,,,
,,,SFG:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,SFG:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:506,Part of Protein,,,,,[Zn+2],
,,,ZN:B:507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:508,Part of Protein,,,,,[Zn+2],
,,,ZN:B:509,Part of Protein,,,,,[Zn+2],
,,,ZN:B:510,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5B0R,,,,,,,
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BMA BMA:C:1,valid,,,,,,
,,,BMA BMA:D:1,valid,,,,,,
,,,GOL:B:509,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:510,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,MES:B:511,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:509,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MAN BMA:D:1,valid,,,,,,
,,,MAN BMA:C:1,valid,,,,,,
,,5B0Q,,,,,,,
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MAN:A:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:B:401,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MES:B:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,5B0S,,,,,,,
,,,MES:A:409,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:407,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:408,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,MAN BMA BMA:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,MAN BMA BMA:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,2EFE,,,,,,,
,,,GNH:B:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,,GNH:D:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,4G01,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,GDP:B:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2EFC,,,,,,,
,,,GDP:B:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,2EFH,,,,,,,
,,,GDP:B:1200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:2200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5H7N,,,,,,,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:B:504,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:B:508,invalid,,,,,C(CO)O,
,,,EDO:B:505,invalid,,,,,C(CO)O,
,,,EDO:B:507,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:A:507,invalid,,,,,C(CO)O,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PEG:B:506,invalid,,,,,C(COCCO)O,
,,,GLC GLC GLC GLC:C:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,,,GLC GLC GLC GLC:D:1,valid,,,,,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,5Y0Q,,,,,,,
,,,APC:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,,APC:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N,
,,5Y0P,,,,,,,
,,,TAT:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,Family. Representative Entry is ,5HFF,,,,,,,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,THR LYS ASN TYR LYS GLN PHE SER VAL:B:2,valid,Kd,=,0.5,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)Cc1ccccc1)CO)C(C)C,
,,5HFB,,,,,,,
,,,THR LYS ASN TYR LYS GLN THR SER VAL:B:4,valid,Kd,=,26.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)C(O)C)CO)C(C)C,
,,5HEB,,,,,,,
,,,GOL:B:101,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,THR LYS ASN TYR LYS GLN THR SER VAL:B:3,valid,Kd,=,0.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)C(O)C)CO)C(C)C,
,,1BE9,,,,,,,
,,,LYS GLN THR SER VAL:B:5,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCC(=O)N)C(O)C)CO)C(C)C,
,,5HED,,,,,,,
,,,THR LYS ASN TYR LYS GLN PHE SER VAL:B:2,valid,Kd,=,36,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)Cc1ccccc1)CO)C(C)C,
,,5HF1,,,,,,,
,,,THR LYS ASN TYR LYS GLN PHE SER VAL:B:3,valid,Kd,=,1.8,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)Cc1ccccc1)CO)C(C)C,
,,5HFC,,,,,,,
,,,THR LYS ASN TYR LYS GLN PHE SER VAL:B:3,valid,Kd,=,1.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)Cc1ccccc1)CO)C(C)C,
,,5HEY,,,,,,,
,,,THR LYS ASN TYR LYS GLN THR SER VAL:B:2,valid,Kd,=,2.2,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)CCCC[NH3+])CC(=O)N)Cc1ccc(O)cc1)CCCC[NH3+])CCC(=O)N)C(O)C)CO)C(C)C,
,Family. Representative Entry is ,5ALC,,,,,,,
,,,TIQ:L:1210,valid,,,,,CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F,
,,5ALB,,,,,,,
,,,TIQ:L:1210,valid,,,,,CCCSc1nc(c2c(n1)n(nn2)[C@@H]3C[C@@H]([C@H]([C@H]3O)O)OCCO)N[C@@H]4C[C@H]4c5ccc(c(c5)F)F,
,Family. Representative Entry is ,5OVI,,,,,,,
,,,EDO:A:2002,invalid,,,,,C(CO)O,
,,,EDO:A:2003,invalid,,,,,C(CO)O,
,,,EDO:A:2004,invalid,,,,,C(CO)O,
,,,AXH:A:2001,valid,ic50,=,21,nM,Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cc(cs3)c4ccccc4CNC)OC)OC,
,,5OVE,,,,,,,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,EDO:A:1101,invalid,,,,,C(CO)O,
,,,AXE:A:1104,valid,ic50,=,320,nM,C[C@H](c1cccc2c1cccc2)Nc3c4cc(c(cc4ncn3)OC)OC,
,,5OVF,,,,,,,
,,,AWT:A:1101,valid,ic50,=,140,nM,Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3cccc(c3)c4c[nH]nc4)OC)OC,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,5OVG,,,,,,,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,AWZ:A:1101,valid,ic50,=,400,nM,Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccc(s3)c4cnc5n4CCC5)OC)OC,
,,5OVH,,,,,,,
,,,EDO:A:1102,invalid,,,,,C(CO)O,
,,,EDO:A:1103,invalid,,,,,C(CO)O,
,,,AWW:A:1101,valid,ic50,=,280,nM,Cc1nc2c(c(n1)N[C@H](C)c3ccc(s3)c4ccccc4CO)CC(=C(C2)OC)OC,
,Family. Representative Entry is ,6VG5,,,,,,,
,,,NO3:B:209,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:208,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:201,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:207,invalid,,,,,[N+](=O)([O-])[O-],
,,,GOL:A:207,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:210,invalid,,,,,C(C(CO)O)O,
,,,QWY:B:201,valid,,,,,c1ccc(cc1)c2nnc(s2)NC(=O)c3c(c4cc5c(nc4s3)CCCCC5)N,
,Family. Representative Entry is ,5IXH,,,,,,,
,,,TRS:B:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:204,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,OTP:B:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,,,OTP:A:201,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C,
,Family. Representative Entry is ,4MBY,,,,,,,
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:I:401,Part of Protein,,,,,[Ca+2],
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:J:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:H:401,Part of Protein,,,,,[Ca+2],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:E:406,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:H:404,invalid,,,,,C(CO)O,
,,,EDO:E:405,invalid,,,,,C(CO)O,
,,,EDO:C:405,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:J:403,invalid,,,,,C(CO)O,
,,,EDO:J:406,invalid,,,,,C(CO)O,
,,,EDO:I:404,invalid,,,,,C(CO)O,
,,,EDO:H:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:J:405,invalid,,,,,C(CO)O,
,,,EDO:B:408,invalid,,,,,C(CO)O,
,,,EDO:J:404,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:G:402,invalid,,,,,[Cl-],
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:I:402,invalid,,,,,[Cl-],
,,,CL:H:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:J:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,IPA:G:405,invalid,,,,,CC(C)O,
,,,IPA:H:406,invalid,,,,,CC(C)O,
,,,IPA:B:409,invalid,,,,,CC(C)O,
,,,IPA:F:404,invalid,,,,,CC(C)O,
,,,IPA:C:406,invalid,,,,,CC(C)O,
,,,IPA:E:407,invalid,,,,,CC(C)O,
,,,IPA:J:407,invalid,,,,,CC(C)O,
,,,IPA:I:405,invalid,,,,,CC(C)O,
,,,IPA:A:408,invalid,,,,,CC(C)O,
,,,IPA:D:405,invalid,,,,,CC(C)O,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:O:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:M:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:L:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:K:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Q:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:R:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,,BGC GAL SIA:S:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)O2)(C(=O)[O-])CC1O)C,
,,4MBZ,,,,,,,
,,,CA:E:401,Part of Protein,,,,,[Ca+2],
,,,CA:D:401,Part of Protein,,,,,[Ca+2],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:F:401,Part of Protein,,,,,[Ca+2],
,,,CA:G:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:J:401,Part of Protein,,,,,[Ca+2],
,,,CA:I:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:H:401,Part of Protein,,,,,[Ca+2],
,,,IPA:B:408,invalid,,,,,CC(C)O,
,,,IPA:E:406,invalid,,,,,CC(C)O,
,,,IPA:A:405,invalid,,,,,CC(C)O,
,,,IPA:H:404,invalid,,,,,CC(C)O,
,,,IPA:F:404,invalid,,,,,CC(C)O,
,,,IPA:J:406,invalid,,,,,CC(C)O,
,,,IPA:G:405,invalid,,,,,CC(C)O,
,,,IPA:I:405,invalid,,,,,CC(C)O,
,,,IPA:D:405,invalid,,,,,CC(C)O,
,,,IPA:C:405,invalid,,,,,CC(C)O,
,,,EDO:G:403,invalid,,,,,C(CO)O,
,,,EDO:B:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:E:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:E:405,invalid,,,,,C(CO)O,
,,,EDO:G:404,invalid,,,,,C(CO)O,
,,,EDO:I:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,EDO:J:403,invalid,,,,,C(CO)O,
,,,EDO:B:406,invalid,,,,,C(CO)O,
,,,EDO:I:404,invalid,,,,,C(CO)O,
,,,EDO:B:407,invalid,,,,,C(CO)O,
,,,EDO:C:403,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:H:403,invalid,,,,,C(CO)O,
,,,EDO:J:405,invalid,,,,,C(CO)O,
,,,EDO:J:404,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:C:404,invalid,,,,,C(CO)O,
,,,EDO:F:403,invalid,,,,,C(CO)O,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:G:402,invalid,,,,,[Cl-],
,,,CL:J:402,invalid,,,,,[Cl-],
,,,CL:E:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:I:402,invalid,,,,,[Cl-],
,,,CL:H:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,GAL SIA:B:409,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:M:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:E:407,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:P:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:O:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:N:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,NAG GAL SIA:Q:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,4R9F,,,,,,,
,,,BMA BMA:B:1,valid,,,,,,
,,4R9G,,,,,,,
,,,ZN:B:502,Part of Protein,,,,,[Zn+2],
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,ZN:A:505,Part of Protein,,,,,[Zn+2],
,,,ZN:B:504,Part of Protein,,,,,[Zn+2],
,,,ZN:B:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:507,Part of Protein,,,,,[Zn+2],
,,,ZN:B:503,invalid,,,,,[Zn+2],
,,,ZN:A:504,Part of Protein,,,,,[Zn+2],
,,,MAN BMA BMA:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,,,MAN BMA BMA:D:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)COC2CO)OC1CO)C1C(O)C(O)C(O)C(CO)O1,
,Family. Representative Entry is ,5MUY,,,,,,,
,,,MGT:B:2101,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,Family. Representative Entry is ,6VL1,,,,,,,
,,,MG:A:601,Part of Protein,,,,,[Mg+2],
,,,R1V:A:602,valid,,,,,CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C,
,,6VL0,,,,,,,
,,,MN:A:501,Part of Protein,,,,,[Mn+2],
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,GST:A:502,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,6VKZ,,,,,,,
,,,GST:A:503,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6L1Q,,,,,,,
,,,PO4:C:1002,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ADP:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5I8F,,,,,,,
,,,UNL:A:205,invalid,,,,,NULL,
,,,UNL:A:204,invalid,,,,,NULL,
,,,UNL:A:201,invalid,,,,,NULL,
,,,UNL:A:203,invalid,,,,,NULL,
,,,UNL UNL:A:202,invalid,,,,,,
,,,NA:A:208,Part of Protein,,,,,[Na+],
,,,NA:A:209,Part of Protein,,,,,[Na+],
,,,NA:A:207,Part of Protein,,,,,[Na+],
,,,ML1:A:210,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,ML1:A:211,valid,,,,,CC(=O)NCCc1c[nH]c2c1cc(cc2)OC,
,,,GOL:A:212,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:213,invalid,,,,,C(C(CO)O)O,
,,6SJJ,,,,,,,
,,,2AN:X:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:L:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:207,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:X:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:W:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:X:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:K:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:E:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:S:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Y:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:D:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:X:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:D:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:P:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:N:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:X:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:K:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:L:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:207,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:N:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:S:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:R:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Q:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:U:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Q:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:207,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:N:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:T:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Y:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:K:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:O:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Y:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:P:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:T:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:R:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:S:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:207,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:L:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:F:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:T:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:E:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:D:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:M:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:S:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:M:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:I:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:E:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:U:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:B:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Q:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:G:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:208,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:R:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:H:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:X:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Z:206,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:T:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:N:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:O:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:T:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:Y:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:J:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:M:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:P:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:R:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:D:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:C:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:N:205,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:R:202,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:L:203,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:E:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:V:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:P:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:O:201,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,2AN:A:204,valid,,,,,c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O,
,,,SO4:E:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Q:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:I:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:Y:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,DMS:N:206,invalid,,,,,CS(=O)C,
,,,DMS:G:208,invalid,,,,,CS(=O)C,
,,,DMS:X:207,invalid,,,,,CS(=O)C,
,,,FLC:G:206,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:203,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:J:208,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:205,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:202,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:A:206,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:202,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,EPE:P:205,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,Family. Representative Entry is ,6KX5,,,,,,,
,,,DYR:A:501,valid,,,,,c1ccc2c(c1)c3ccccc3n2CC(=O)Nc4c(cccc4Cl)C#N,
,,6LUE,,,,,,,
,,,EUL:B:501,valid,,,,,c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br,
,,,EUL:A:501,valid,,,,,c1ccc(c(c1)C(=O)Nc2c3c4c(sc3ncn2)CCCC4)Br,
,,6KX7,,,,,,,
,,,DYX:A:501,valid,,,,,COc1ccc(cc1)n2c(c3c(n2)CS(=O)(=O)C3)NC(=O)C4(CCCC4)c5ccc(cc5)Cl,
,,6KX6,,,,,,,
,,,DYU:B:501,valid,,,,,Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C,
,,,DYU:A:501,valid,,,,,Cc1ccc(c(c1)C)n2c(c3c(n2)CSC3)NC(=O)c4ccc(c(c4)C)C,
,Family. Representative Entry is ,3DY0,,,,,,,
,,,GOL:B:506,invalid,,,,,C(C(CO)O)O,
,,,NO3:A:507,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:508,invalid,,,,,[N+](=O)([O-])[O-],
,,,IDS SGN IDS SGN IDS:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)C(OC4C(OS(=O)(=O)[O-])C(O)CC(C(=O)[O-])O4)C(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(O)OC2C(=O)[O-])O1)[O-],
,,1LQ8,,,,,,,
,,,IPA:A:901,invalid,,,,,CC(C)O,
,,,IPA:C:902,invalid,,,,,CC(C)O,
,,,IPA:G:903,invalid,,,,,CC(C)O,
,,,MAN MAN MAN:L:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,NAG NAG:J:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:C:10,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:357,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:359,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NDG:M:1,Part of Protein,,,,,,
,,,NAG NDG:I:1,Part of Protein,,,,,,
,Family. Representative Entry is ,4ODV,,,,,,,
,,,PEG:H:301,invalid,,,,,C(COCCO)O,
,,,GP1 Z9M:A:1,valid,,,,,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1CO)([O-])[O-],
,Family. Representative Entry is ,5O3Q,,,,,,,
,,,CMP:B:202,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:201,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:200,valid,Kd,=,2.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,BCT:C:201,invalid,,,,,C(=O)(O)[O-],
,,5O3R,,,,,,,
,,,AMP:A:201,valid,Kd,=,10.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:202,valid,Kd,=,10.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:C:200,valid,Kd,=,10.1,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,BCT:C:201,invalid,,,,,C(=O)(O)[O-],
,Family. Representative Entry is ,6AR2,,,,,,,
,,,GLU GLU GLU ASP GLY TPO MET LYS ARG ASN:C:376,valid,,,,,S(CCC(NC(=O)C(NC(=O)CNC(=O)C(N)CC(=O)[O-])C(OP(=O)([O-])[O-])C)C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCC[NH3+])C,
,,,GLU GLU GLU ASP GLY TPO MET LYS ARG ASN:D:376,valid,,,,,S(CCC(NC(=O)C(NC(=O)CNC(=O)C(N)CC(=O)[O-])C(OP(=O)([O-])[O-])C)C(=O)NC(C(=O)NC(C=O)CCCNC(=[NH2+])N)CCCC[NH3+])C,
,Family. Representative Entry is ,3K60,,,,,,,
,,,ADP:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5VOM,,,,,,,
,,,9GY:A:201,valid,ic50,=,0.79,uM,C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4,
,,,9GY:B:201,valid,ic50,=,0.79,uM,C[C@H]1CN(c2cc(ccc2N1C(=O)C)c3cccc(c3)C(=O)NC)C(=O)c4ccco4,
,Family. Representative Entry is ,2RBK,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,VN4:A:601,valid,Ki,=,510,nM,[O-][V](=O)=O,
,,2RAR,,,,,,,
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,VN4:A:601,valid,Ki,=,700,uM,[O-][V](=O)=O,
,,2RB5,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,WO6:A:801,valid,Ki,=,65,uM,[O-][W](=O)([O-])[O-],
,,2RAV,,,,,,,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,,,WO6:A:801,valid,Ki,=,26,uM,[O-][W](=O)([O-])[O-],
,Family. Representative Entry is ,2ZHP,,,,,,,
,,,BY6 CU:A:301,valid,Ka,=,47100000,M^-1,O=C(OC1C(O)C(OC2C(O)C(O)C(CO)OC2OC(C(NC(=O)c2c(C)c(N)nc(C([NH2+]CC([NH3+])C(=O)N)CC(=O)N)n2)C(=O)NC(C(O)C(C(=O)NC(C(=O)NCCc2scc(-c3scc(C(=O)NC)n3)n2)C(O)C)C)C)c2nc[nH]c2)OC(CO)C1O)N.[Cu+2],
,,,BY6 CU:B:401,valid,Ka,=,47100000,M^-1,O=C(OC1C(O)C(OC2C(O)C(O)C(CO)OC2OC(C(NC(=O)c2c(C)c(N)nc(C([NH2+]CC([NH3+])C(=O)N)CC(=O)N)n2)C(=O)NC(C(O)C(C(=O)NC(C(=O)NCCc2scc(-c3scc(C(=O)NC)n3)n2)C(O)C)C)C)c2nc[nH]c2)OC(CO)C1O)N.[Cu+2],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,1XRK,,,,,,,
,,,BLM:A:402,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,BLM:B:401,valid,,,,,Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O,
,,,SO4:A:893,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:894,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:895,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4MA7,,,,,,,
,,,P2Z:A:301,valid,,,,,CN(C)CCCN1c2ccccc2Sc3c1cccc3,
,,4MA8,,,,,,,
,,,Z80:C:301,valid,,,,,CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl,
,Family. Representative Entry is ,5A96,,,,,,,
,,,GTP:A:1250,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,2A1L,,,,,,,
,,,PCW:A:501,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=C/CCCCCCCC,
,Family. Representative Entry is ,2AIB,,,,,,,
,,,ERG:A:475,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,ERG:B:476,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,,GOL:B:478,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:479,invalid,,,,,C(C(CO)O)O,
,,,MES:A:477,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,6H9Y,,,,,,,
,,,NAG GAL:C:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,BTB:B:401,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,6K2O,,,,,,,
,,,GAL NAG GAL FUC:B:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,NA:A:205,invalid,,,,,[Na+],
,,6H9W,,,,,,,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPA:A:206,invalid,,,,,CC(C)O,
,,,IPA:A:207,invalid,,,,,CC(C)O,
,,,CIT:A:205,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6K2N,,,,,,,
,,,A2G GAL NAG:G:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(NC(=O)C)C(O)O1)C,
,,,A2G GAL NAG:H:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(NC(=O)C)C(O)O1)C,
,,6HA0,,,,,,,
,,,NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,3EYY,,,,,,,
,,,CL:A:148,invalid,,,,,[Cl-],
,,,CL:A:149,invalid,,,,,[Cl-],
,,,CL:A:150,invalid,,,,,[Cl-],
,,,CL:B:148,invalid,,,,,[Cl-],
,,,CL:B:149,invalid,,,,,[Cl-],
,,,EDO:A:151,invalid,,,,,C(CO)O,
,,,EDO:A:152,invalid,,,,,C(CO)O,
,,,EDO:B:150,invalid,,,,,C(CO)O,
,,,EDO:B:151,invalid,,,,,C(CO)O,
,,,MLI:A:153,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:A:154,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,MLI:B:152,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,NI:A:146,Part of Protein,,,,,[Ni+2],
,,,NI:B:146,Part of Protein,,,,,[Ni+2],
,,,ZN:A:147,Part of Protein,,,,,[Zn+2],
,,,ZN:B:147,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,5VMC,,,,,,,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1003,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5VMF,,,,,,,
,,,NAG:C:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:H:1,valid,Kd,=,0.305,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:I:1,valid,Kd,=,0.305,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,Kd,=,0.305,uM,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5VMG,,,,,,,
,,,NAG:C:1001,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1004,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:1002,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:J:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,GAL SIA:I:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:H:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,3THK,,,,,,,
,,,BME:A:84,invalid,,,,,C(CS)O,
,,,BME:B:85,invalid,,,,,C(CS)O,
,,,PRO PRO PRO VAL PRO PRO TYR SER ALA GLY:C:74,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(C)C)N1C(C(=O)N2C(C=O)CCC2)CCC1,
,,,PRO PRO PRO VAL PRO PRO TYR SER ALA GLY:D:74,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C2N(C(=O)C3[NH2+]CCC3)CCC2)CCC1)C(C)C)N1C(C(=O)N2C(C=O)CCC2)CCC1,
,,,SO4:B:84,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3ZLR,,,,,,,
,,,X0B:A:1198,valid,Kd,=,0.55,nM,c1ccc2c(c1)nc(s2)N/N=C/3CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O,
,,,X0B:B:1204,valid,Kd,=,0.55,nM,c1ccc2c(c1)nc(s2)N/N=C/3CCCc4c3cc(cc4)c5nc(c(s5)CCCOc6ccc(cc6)CN)C(=O)O,
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1200,invalid,,,,,C(CO)O,
,,,EDO:A:1199,invalid,,,,,C(CO)O,
,,4C52,,,,,,,
,,,SO4:B:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:B:1207,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:B:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:A:1206,invalid,,,,,C(CO)O,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:B:1206,invalid,,,,,C(CO)O,
,,,X0D:A:300,valid,Kd,=,2.1,uM,CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O,
,,,X0D:B:300,valid,Kd,=,2.1,uM,CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCC(C)C)C(=O)O,
,,4TUH,,,,,,,
,,,EDO:H:302,invalid,,,,,C(CO)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:C:302,invalid,,,,,C(CO)O,
,,,EDO:A:304,invalid,,,,,C(CO)O,
,,,EDO:A:308,invalid,,,,,C(CO)O,
,,,EDO:C:303,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,EDO:C:304,invalid,,,,,C(CO)O,
,,,EDO:F:302,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,EDO:A:303,invalid,,,,,C(CO)O,
,,,EDO:H:303,invalid,,,,,C(CO)O,
,,,EDO:A:305,invalid,,,,,C(CO)O,
,,,EDO:G:302,invalid,,,,,C(CO)O,
,,,38H:E:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:B:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:F:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:A:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:D:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:H:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:G:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,38H:C:301,valid,,,,,c1ccc2c(c1)nc(s2)NC(=O)c3cccc4c3CN(CC4)c5nc(c(s5)CCCOc6ccc(cc6)n7c8c(cncn8)cn7)C(=O)O,
,,,ACT:B:302,invalid,,,,,CC(=O)[O-],
,,4C5D,,,,,,,
,,,SO4:B:1200,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1197,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1199,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1198,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:1200,invalid,,,,,C(CO)O,
,,,EDO:A:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1205,invalid,,,,,C(CO)O,
,,,EDO:B:1203,invalid,,,,,C(CO)O,
,,,EDO:A:1201,invalid,,,,,C(CO)O,
,,,EDO:A:1202,invalid,,,,,C(CO)O,
,,,EDO:B:1204,invalid,,,,,C(CO)O,
,,,EDO:B:1202,invalid,,,,,C(CO)O,
,,,EDO:B:1206,invalid,,,,,C(CO)O,
,,,X0R:B:2000,valid,Kd,=,4,uM,CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O,
,,,X0R:A:2000,valid,Kd,=,4,uM,CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)N[C@@H](CSCc3ccc(cc3)Br)C(=O)O,
,Family. Representative Entry is ,1PK8,,,,,,,
,,,ATP:A:800,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:801,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:802,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:803,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:804,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:805,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:806,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:807,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:817,Part of Protein,,,,,[Ca+2],
,,,CA:B:817,Part of Protein,,,,,[Ca+2],
,,,CA:C:817,Part of Protein,,,,,[Ca+2],
,,,CA:D:817,Part of Protein,,,,,[Ca+2],
,,,CA:E:817,Part of Protein,,,,,[Ca+2],
,,,CA:F:817,Part of Protein,,,,,[Ca+2],
,,,CA:G:817,Part of Protein,,,,,[Ca+2],
,,,CA:H:817,Part of Protein,,,,,[Ca+2],
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:B:819,invalid,,,,,C(CO)O,
,,1PX2,,,,,,,
,,,ATP:A:800,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:800,valid,Kd,=,120,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:817,Part of Protein,,,,,[Ca+2],
,,,CA:B:817,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5H2D,,,,,,,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ERG:A:1301,valid,,,,,CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,,5WVR,,,,,,,
,,,SO4:A:1304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CLR:A:1301,valid,,,,,CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C,
,Family. Representative Entry is ,3IID,,,,,,,
,,,APR:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,NO3:A:401,invalid,,,,,[N+](=O)([O-])[O-],
,,3IIF,,,,,,,
,,,APR:A:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:B:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,APR:C:400,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,Family. Representative Entry is ,4RSZ,,,,,,,
,,,SO4:F:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NO3:B:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:D:203,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:F:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:B:206,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:E:205,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:C:202,invalid,,,,,[N+](=O)([O-])[O-],
,,,NO3:A:204,invalid,,,,,[N+](=O)([O-])[O-],
,,,HEM:B:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:E:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:D:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:F:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,CPT:F:203,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:D:202,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:A:202,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:B:203,valid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,,,CPT:E:202,invalid,,,,,[NH3][Pt]([NH3])(Cl)Cl,
,Family. Representative Entry is ,3RDV,,,,,,,
,,,ASP SER TRP LYS ASP GLY CYS TYR:E:574,valid,,,,,SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CO)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])CC(=O)[O-])C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1,
,,,ASP SER TRP LYS ASP GLY CYS TYR:F:574,valid,,,,,SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CO)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])CC(=O)[O-])C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1,
,,,ASP SER TRP LYS ASP GLY CYS TYR:G:575,valid,,,,,SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CO)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])CC(=O)[O-])C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1,
,,,ASP SER TRP LYS ASP GLY CYS TYR:H:574,valid,,,,,SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CO)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])CC(=O)[O-])C(=O)NC(C(=O)[O-])Cc1ccc(O)cc1,
,,,BME:C:1,invalid,,,,,C(CS)O,
,,,NA:A:1,invalid,,,,,[Na+],
,Family. Representative Entry is ,3GD8,,,,,,,
,,,BOG:A:473,valid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:1,valid,,,,,C(C(CO)O)O,
,,,GOL:A:2,valid,,,,,C(C(CO)O)O,
,,,GOL:A:3,valid,,,,,C(C(CO)O)O,
,,,GOL:A:4,valid,,,,,C(C(CO)O)O,
,,,GOL:A:6,valid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6DYS,,,,,,,
,,,HJ1:A:902,valid,Kd,=,56.4,uM,c1cc(c(cc1CCNC(=O)CCN)O)O,
,,,CA:A:901,invalid,,,,,[Ca+2],
,,6DYR,,,,,,,
,,,HJD:A:901,valid,Kd,=,218.6,uM,c1c([nH]cn1)CCNC(=O)CCN,
,,6DYN,,,,,,,
,,,CA:A:902,Part of Protein,,,,,[Ca+2],
,,,HSM:A:901,valid,Kd,=,638.9,uM,c1c(nc[nH]1)CCN,
,Family. Representative Entry is ,2VMD,,,,,,,
,,,1PG:A:502,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:503,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,MBG:A:501,valid,Kd,=,0.95,mM,CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O,
,,2VMC,,,,,,,
,,,1PG:A:502,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,1PG:A:503,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,A2G:A:501,valid,Kd,=,1.15,mM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:A:500,Part of Protein,,,,,[Ca+2],
,,,CL:A:498,invalid,,,,,[Cl-],
,,,CL:A:499,invalid,,,,,[Cl-],
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,NGA:A:505,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2WZV,,,,,,,
,,,FMN:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,GOL:A:1236,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1237,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1237,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:1235,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1235,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1236,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2WZW,,,,,,,
,,,FMN:A:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:801,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NDP:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,PO4:A:1235,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1236,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1235,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,5T8R,,,,,,,
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1801,Part of Protein,,,,,[Zn+2],
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,GOL:C:1803,invalid,,,,,C(C(CO)O)O,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:E:1,valid,Kd,=,51,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,,ALA ARG THR LYS GLN THR ALA ARG LYS SER:G:1,valid,Kd,=,51,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)CCCC[NH3+])C(NC(=O)C(NC(=O)C([NH3+])C)C)C(O)C,
,,6FHU,,,,,,,
,,,ZN:C:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1801,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1803,invalid,,,,,C(C(CO)O)O,
,,,ALA ARG 9AT:H:1,valid,Kd,=,2.3,mM,O=C(NC(C(=O)N)C(O)C)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N,
,,,ALA ARG 9AT:G:1,valid,Kd,=,2.3,mM,O=C(NC(C(=O)N)C(O)C)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N,
,,,ALA ARG 9AT:F:1,valid,Kd,=,2.3,mM,O=C(NC(C(=O)N)C(O)C)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N,
,,,PO4:D:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6FI0,,,,,,,
,,,GOL:C:1803,invalid,,,,,C(C(CO)O)O,
,,,ZN:B:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1801,Part of Protein,,,,,[Zn+2],
,,,DEW:B:1804,valid,,,,,c1csc2c1CN(CC2)C(=O)CN,
,,,DEW:C:1806,valid,,,,,c1csc2c1CN(CC2)C(=O)CN,
,,,PO4:C:1804,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:D:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,K:A:1804,Part of Protein,,,,,[K+],
,,,K:C:1805,Part of Protein,,,,,[K+],
,,6FKP,,,,,,,
,,,ZN:C:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1802,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1801,Part of Protein,,,,,[Zn+2],
,,,ZN:D:1801,Part of Protein,,,,,[Zn+2],
,,,GOL:C:1803,invalid,,,,,C(C(CO)O)O,
,,,ALA ARG THR ALA ALA THR ALA ARG LYS SER:G:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR ALA ALA THR ALA ARG LYS SER:E:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR ALA ALA THR ALA ARG LYS SER:F:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C(O)C)C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,PO4:D:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:1803,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6E0D,,,,,,,
,,,TLA:A:501,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,XXX:A:502,valid,,,,,C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O)O)N,
,Family. Representative Entry is ,6O1E,,,,,,,
,,,ANP:A:503,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5IQT,,,,,,,
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,6CU:B:304,valid,,,,,CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C,
,,,6CU:A:304,valid,,,,,CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C,
,,,CL:B:302,invalid,,,,,[Cl-],
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:C:302,invalid,,,,,[Cl-],
,,,AKG:B:303,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:303,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:303,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,5IQV,,,,,,,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,NO:A:305,invalid,,,,,[N]=O,
,,,NO:B:305,invalid,,,,,[N]=O,
,,,6CU:A:303,valid,,,,,CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C,
,,,6CU:C:303,valid,,,,,CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C,
,,,6CU:B:303,valid,,,,,CC[C@@]1(CC[C@H]2[C@H]([C@H]1[N+]#[C-])c3c4ccccc4[nH]c3C2(C)C)C,
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:C:304,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,5IQS,,,,,,,
,,,AKG:C:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:A:302,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,FE2:C:301,Part of Protein,,,,,[Fe+2],
,,,FE2:B:301,Part of Protein,,,,,[Fe+2],
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,,,CL:C:303,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,Family. Representative Entry is ,5F7R,,,,,,,
,,,CL:E:504,invalid,,,,,[Cl-],
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,ZN:E:503,Part of Protein,,,,,[Zn+2],
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,PO4:E:505,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6FK6,,,,,,,
,,,BOG:A:408,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:409,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:407,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:410,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DOK:A:411,valid,,,,,CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3,
,,,PLM:A:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,6FKC,,,,,,,
,,,BOG:A:409,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:412,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:408,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:411,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:410,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,DLB:A:407,valid,,,,,CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccc(cc4O3)CCC(=O)O,
,,,PLM:A:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,,6FKD,,,,,,,
,,,BOG:A:409,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:408,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:407,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:411,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BOG:A:410,invalid,,,,,CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,PLM:A:401,invalid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,DL2:A:412,valid,,,,,c1ccc2c(c1)OC3(O2)CCN(CC3)C(=O)CC4=NC(=O)C(=CC4)Cl,
,,,NAG NAG BMA MAN MAN:B:1,invalid,,,,,,
,Family. Representative Entry is ,2RI7,,,,,,,
,,,ALA ARG THR MLY GLN THR ALA ARG LYS:P:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[NH+](C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,IPA:A:504,invalid,,,,,CC(C)O,
,,,ZN:A:501,Part of Protein,,,,,[Zn+2],
,,,ZN:A:502,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,4Z7X,,,,,,,
,,,3CX:B:501,valid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,,,3CX:A:501,valid,,,,,C1CCC(CC1)NCC(CS(=O)(=O)O)O,
,Family. Representative Entry is ,4C9G,,,,,,,
,,,CDL:A:800,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:A:802,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,CDL:A:801,invalid,,,,,CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC,
,,,BNG:A:1310,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,CXT:A:401,valid,,,,,CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)O)C(=O)O)[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O,
,Family. Representative Entry is ,4MN3,,,,,,,
,,,EDO:A:101,invalid,,,,,C(CO)O,
,,,EDO:A:103,invalid,,,,,C(CO)O,
,,,EDO:A:102,invalid,,,,,C(CO)O,
,,,MG:A:104,Part of Protein,,,,,[Mg+2],
,,,ACE PHE ALA TYR M3L SER NH2:B:1,valid,Kd,=,1.77,uM,O=C([NH3+])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccccc1)C)Cc1ccc(O)cc1)CCCC[N+](C)(C)C)CO,
,,,P33:A:105,invalid,,,,,C(COCCOCCOCCOCCOCCOCCO)O,
,Family. Representative Entry is ,6VVE,,,,,,,
,,,MN:A:403,invalid,,,,,[Mn+2],
,,,IHP:A:401,valid,Kd,=,315,uM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ADP:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4FMJ,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,CL:B:601,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:D:601,invalid,,,,,[Cl-],
,,,CL:E:601,invalid,,,,,[Cl-],
,,,CL:F:601,invalid,,,,,[Cl-],
,,,CL:G:601,invalid,,,,,[Cl-],
,,,CL:H:402,invalid,,,,,[Cl-],
,,,CL:I:601,invalid,,,,,[Cl-],
,,,CL:J:601,invalid,,,,,[Cl-],
,,,CL:K:404,invalid,,,,,[Cl-],
,,,CL:L:401,invalid,,,,,[Cl-],
,,,CL:M:404,invalid,,,,,[Cl-],
,,,CL:N:402,invalid,,,,,[Cl-],
,,,CL:O:403,invalid,,,,,[Cl-],
,,,CL:P:402,invalid,,,,,[Cl-],
,,,CL:Q:404,invalid,,,,,[Cl-],
,,,CL:R:601,invalid,,,,,[Cl-],
,,,CL:S:403,invalid,,,,,[Cl-],
,,,CL:T:404,invalid,,,,,[Cl-],
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:403,invalid,,,,,C(C(CO)O)O,
,,,SIA:H:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,GAL SIA:Y:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:U:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Z:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:V:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:X:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:W:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,4FMI,,,,,,,
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,CL:D:402,invalid,,,,,[Cl-],
,,,CL:E:403,invalid,,,,,[Cl-],
,,,CL:F:402,invalid,,,,,[Cl-],
,,,CL:G:402,invalid,,,,,[Cl-],
,,,CL:H:402,invalid,,,,,[Cl-],
,,,CL:I:402,invalid,,,,,[Cl-],
,,,CL:J:402,invalid,,,,,[Cl-],
,,,CL:K:402,invalid,,,,,[Cl-],
,,,CL:L:504,invalid,,,,,[Cl-],
,,,CL:M:404,invalid,,,,,[Cl-],
,,,CL:N:402,invalid,,,,,[Cl-],
,,,CL:O:402,invalid,,,,,[Cl-],
,,,CL:P:402,invalid,,,,,[Cl-],
,,,CL:Q:402,invalid,,,,,[Cl-],
,,,CL:R:503,invalid,,,,,[Cl-],
,,,CL:S:402,invalid,,,,,[Cl-],
,,,CL:S:403,invalid,,,,,[Cl-],
,,,CL:T:404,invalid,,,,,[Cl-],
,,,GAL:V:1,invalid,,,,,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:403,invalid,,,,,C(C(CO)O)O,
,,,SIA:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:M:401,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA:V:2,invalid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,NAG GAL SIA:U:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4FMH,,,,,,,
,,,CL:A:504,invalid,,,,,[Cl-],
,,,CL:B:405,invalid,,,,,[Cl-],
,,,CL:C:403,invalid,,,,,[Cl-],
,,,CL:D:504,invalid,,,,,[Cl-],
,,,CL:E:404,invalid,,,,,[Cl-],
,,,CL:F:403,invalid,,,,,[Cl-],
,,,CL:G:403,invalid,,,,,[Cl-],
,,,CL:H:405,invalid,,,,,[Cl-],
,,,CL:I:403,invalid,,,,,[Cl-],
,,,CL:J:403,invalid,,,,,[Cl-],
,,,CL:K:405,invalid,,,,,[Cl-],
,,,CL:L:505,invalid,,,,,[Cl-],
,,,CL:M:407,invalid,,,,,[Cl-],
,,,CL:N:404,invalid,,,,,[Cl-],
,,,CL:O:405,invalid,,,,,[Cl-],
,,,CL:P:404,invalid,,,,,[Cl-],
,,,CL:Q:406,invalid,,,,,[Cl-],
,,,CL:R:505,invalid,,,,,[Cl-],
,,,CL:S:506,invalid,,,,,[Cl-],
,,,CL:T:405,invalid,,,,,[Cl-],
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:G:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:I:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:J:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:L:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:M:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:N:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:O:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:P:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:Q:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:R:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:S:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:T:404,invalid,,,,,C(C(CO)O)O,
,,,GAL SIA:V:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Z:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:U:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:Y:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:A:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:W:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,,,GAL SIA:X:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,4DVR,,,,,,,
,,,NAG:G:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:501,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:G:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,0LY:G:508,valid,,,,,CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C,
,Family. Representative Entry is ,2OYS,,,,,,,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,FMN:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,5YRI,,,,,,,
,,,GLC GLC:A:201,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6M9M,,,,,,,
,,,IMP:A:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,CL:A:302,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1BWO,,,,,,,
,,,LPC:A:91,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LPC:A:92,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LPC:B:91,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,,,LPC:B:92,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O,
,Family. Representative Entry is ,3QXV,,,,,,,
,,,MTX:A:2000,valid,Kd,=,5,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:2000,valid,Kd,=,5,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:C:2000,valid,Kd,=,5,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:D:2000,valid,Kd,=,5,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:E:2000,valid,Kd,=,5,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,SO4:A:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:3000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3QXT,,,,,,,
,,,MTX:A:2000,valid,Kd,=,6700,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,MTX:B:2000,valid,Kd,=,6700,nM,CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O,
,,,NA:A:132,Part of Protein,,,,,[Na+],
,,,NA:A:133,Part of Protein,,,,,[Na+],
,,,NA:B:132,Part of Protein,,,,,[Na+],
,,,NA:B:133,Part of Protein,,,,,[Na+],
,,,NA:B:134,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,2WUL,,,,,,,
,,,CL:B:1150,invalid,,,,,[Cl-],
,,,CL:D:1150,invalid,,,,,[Cl-],
,,,CL:D:1151,invalid,,,,,[Cl-],
,,,CL:D:1152,invalid,,,,,[Cl-],
,,,FES:A:1150,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,FES:C:1149,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GSH:A:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:C:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:D:300,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,PEG:B:1151,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,6HLX,,,,,,,
,,,EDO:A:632,invalid,,,,,C(CO)O,
,,,EDO:A:627,invalid,,,,,C(CO)O,
,,,EDO:A:636,invalid,,,,,C(CO)O,
,,,EDO:A:631,invalid,,,,,C(CO)O,
,,,EDO:A:629,invalid,,,,,C(CO)O,
,,,EDO:A:626,invalid,,,,,C(CO)O,
,,,EDO:A:633,invalid,,,,,C(CO)O,
,,,EDO:A:628,invalid,,,,,C(CO)O,
,,,EDO:A:634,invalid,,,,,C(CO)O,
,,,EDO:A:625,invalid,,,,,C(CO)O,
,,,EDO:A:630,invalid,,,,,C(CO)O,
,,,EDO:A:624,invalid,,,,,C(CO)O,
,,,EDO:A:623,invalid,,,,,C(CO)O,
,,,EDO:A:635,invalid,,,,,C(CO)O,
,,,ACT:A:607,invalid,,,,,CC(=O)[O-],
,,,ACT:A:609,invalid,,,,,CC(=O)[O-],
,,,ACT:A:612,invalid,,,,,CC(=O)[O-],
,,,ACT:A:611,invalid,,,,,CC(=O)[O-],
,,,ACT:A:610,invalid,,,,,CC(=O)[O-],
,,,ACT:A:606,invalid,,,,,CC(=O)[O-],
,,,ACT:A:608,invalid,,,,,CC(=O)[O-],
,,,G9Z:A:604,valid,,,,,C1=CC(=O)N([C@@H]1C(=O)O)C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O,
,,,ZN:A:613,Part of Protein,,,,,[Zn+2],
,,,ZN:A:616,Part of Protein,,,,,[Zn+2],
,,,ZN:A:617,Part of Protein,,,,,[Zn+2],
,,,ZN:A:614,Part of Protein,,,,,[Zn+2],
,,,ZN:A:615,Part of Protein,,,,,[Zn+2],
,,,ZN:A:618,Part of Protein,,,,,[Zn+2],
,,,GOL:A:603,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:619,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:622,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:620,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:621,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MES:A:605,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,PEG:A:637,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2ZL7,,,,,,,
,,,ACT:A:520,invalid,,,,,CC(=O)[O-],
,,,ACT:B:521,invalid,,,,,CC(=O)[O-],
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,MG:A:519,Part of Protein,,,,,[Mg+2],
,,,MG:B:520,Part of Protein,,,,,[Mg+2],
,,,GAL FUC NGA:C:1,valid,,,,,O(C1C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C1C(O)C(O)C(O)C(C)O1,
,,5N7M,,,,,,,
,,,EDO:A:607,invalid,,,,,C(CO)O,
,,,EDO:A:606,invalid,,,,,C(CO)O,
,,,EDO:B:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:B:602,invalid,,,,,C(CO)O,
,,,EDO:A:608,invalid,,,,,C(CO)O,
,,,EDO:A:605,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,NA:B:601,Part of Protein,,,,,[Na+],
,,,NA:A:601,Part of Protein,,,,,[Na+],
,,,GLC GAL FUC:D:1,valid,,,,,,
,,,GLC GAL FUC:C:1,valid,,,,,,
,,2ZL6,,,,,,,
,,,ACT:A:520,invalid,,,,,CC(=O)[O-],
,,,MG:A:1,Part of Protein,,,,,[Mg+2],
,,,MG:B:520,Part of Protein,,,,,[Mg+2],
,,,BGC GAL NAG GAL FUC:C:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1OC1C(O)C(OC2C(O)C(O)C(O)OC2CO)OC(CO)C1O)C,
,,3D26,,,,,,,
,,,GAL FUC NGA:C:1,valid,,,,,O(C1C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C1C(O)C(O)C(O)C(C)O1,
,,,GAL FUC NGA:D:1,valid,,,,,O(C1C(OC2C([NH2+]C(O)C)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C1C(O)C(O)C(O)C(C)O1,
,Family. Representative Entry is ,4PYA,,,,,,,
,,,EDO:A:207,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,EDO:A:202,invalid,,,,,C(CO)O,
,,,EDO:A:204,invalid,,,,,C(CO)O,
,,,EDO:A:205,invalid,,,,,C(CO)O,
,,,EDO:A:206,invalid,,,,,C(CO)O,
,,,EDO:A:201,invalid,,,,,C(CO)O,
,,,2X3:A:208,valid,,,,,C(C1C2(C(C(O1)N3C2NC4=C3N=C(NC4=O)N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,Family. Representative Entry is ,4LNU,,,,,,,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,MES:B:502,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:201,invalid,,,,,C(C(CO)O)O,
,,,GOL:K:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:507,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:506,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:508,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:509,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:510,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:K:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4XT8,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:307,invalid,,,,,C(CO)O,
,,,EDO:A:306,invalid,,,,,C(CO)O,
,,,TMQ:A:302,valid,ic50,=,0.28,uM,Cc1c(ccc2c1c(nc([nH+]2)N)N)CNc3cc(c(c(c3)OC)OC)OC,
,,,PEG:A:303,invalid,,,,,C(COCCO)O,
,,,PEG:A:305,invalid,,,,,C(COCCO)O,
,,4XT4,,,,,,,
,,,44W:A:302,valid,,,,,CC1=NC2=C(NC1)N=C(NC2=O)N,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:304,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XT7,,,,,,,
,,,PEG:A:304,invalid,,,,,C(COCCO)O,
,,,GOL:A:303,invalid,,,,,C(C(CO)O)O,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,TOP:A:302,valid,ic50,=,93.5,uM,COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N,
,,4XT6,,,,,,,
,,,44V:A:302,valid,,,,,C[C@H]1CNC2=C(N1)C(=O)NC(=N2)N,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XT5,,,,,,,
,,,NAP:A:301,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,4XRB,,,,,,,
,,,PEG:A:302,invalid,,,,,C(COCCO)O,
,,,NDP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4BQO,,,,,,,
,,,BR:B:1314,invalid,,,,,[Br-],
,,,BR:B:1324,invalid,,,,,[Br-],
,,,BR:B:1330,invalid,,,,,[Br-],
,,,BR:A:1315,invalid,,,,,[Br-],
,,,BR:A:1329,invalid,,,,,[Br-],
,,,BR:A:1331,invalid,,,,,[Br-],
,,,BR:A:1320,invalid,,,,,[Br-],
,,,BR:B:1326,invalid,,,,,[Br-],
,,,BR:A:1316,invalid,,,,,[Br-],
,,,BR:A:1327,invalid,,,,,[Br-],
,,,BR:A:1333,invalid,,,,,[Br-],
,,,BR:B:1328,invalid,,,,,[Br-],
,,,BR:A:1325,invalid,,,,,[Br-],
,,,BR:A:1321,invalid,,,,,[Br-],
,,,BR:B:1323,invalid,,,,,[Br-],
,,,BR:A:1319,invalid,,,,,[Br-],
,,,BR:B:1319,invalid,,,,,[Br-],
,,,BR:B:1329,invalid,,,,,[Br-],
,,,BR:A:1332,invalid,,,,,[Br-],
,,,BR:B:1322,invalid,,,,,[Br-],
,,,BR:A:1323,invalid,,,,,[Br-],
,,,BR:B:1321,invalid,,,,,[Br-],
,,,BR:A:1326,invalid,,,,,[Br-],
,,,BR:B:1317,invalid,,,,,[Br-],
,,,BR:A:1335,invalid,,,,,[Br-],
,,,BR:B:1316,invalid,,,,,[Br-],
,,,BR:B:1320,invalid,,,,,[Br-],
,,,BR:B:1318,invalid,,,,,[Br-],
,,,BR:A:1324,invalid,,,,,[Br-],
,,,BR:B:1325,invalid,,,,,[Br-],
,,,BR:A:1334,invalid,,,,,[Br-],
,,,BR:A:1322,invalid,,,,,[Br-],
,,,BR:A:1330,invalid,,,,,[Br-],
,,,BR:A:1318,invalid,,,,,[Br-],
,,,BR:B:1315,invalid,,,,,[Br-],
,,,BR:B:1327,invalid,,,,,[Br-],
,,,BR:A:1317,invalid,,,,,[Br-],
,,,BR:A:1328,invalid,,,,,[Br-],
,,,PGE:A:1314,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:1313,invalid,,,,,C(COCCO)O,
,,,PEG:A:1313,invalid,,,,,C(COCCO)O,
,,,COA:B:1312,valid,Kd,=,58,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:A:1312,valid,Kd,=,58,uM,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,6IS5,,,,,,,
,,,GLC GAL FUC A2G:H:1,valid,,,,,,
,,,GLC GAL FUC A2G:E:1,valid,,,,,,
,,,GLC GAL FUC A2G:G:1,valid,,,,,,
,,,GLC GAL FUC A2G:F:1,valid,,,,,,
,Family. Representative Entry is ,2F2G,,,,,,,
,,,HMH:A:1300,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,HMH:B:1301,valid,,,,,Cc1ncc(c(n1)N)CO,
,,,SO4:A:1403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1404,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4P25,,,,,,,
,,,NAG FUC GAL FUC:F:1,valid,,,,,,
,,,NAG FUC GAL FUC:E:1,valid,,,,,,
,,,NAG FUC GAL FUC:G:1,valid,,,,,,
,,,NAG FUC GAL FUC:H:1,valid,,,,,,
,,4P3I,,,,,,,
,,,NAG GAL FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:H:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,4P2N,,,,,,,
,,,NAG FUC GAL:H:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:G:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:F:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG FUC GAL:E:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(C)O2)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1O)C,
,,4P26,,,,,,,
,,,NAG GAL FUC A2G:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,,NAG GAL FUC A2G:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,,NAG GAL FUC A2G:F:1,valid,,,,,O=C(NC1C(O)C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(CO)OC1O)C.O=C(NC1C(O)C(O)C(CO)OC1)C,
,,4P1V,,,,,,,
,,,NAG GAL FUC:E:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:G:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:H:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:F:1,valid,,,,,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1OCU,,,,,,,
,,,PIB:A:1163,valid,,,,,CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC,
,,,PIB:B:1164,valid,,,,,CCCC(=O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,6EP5,,,,,,,
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6EP0,,,,,,,
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:305,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:A:304,Part of Protein,,,,,[Ca+2],
,,,CA:A:306,Part of Protein,,,,,[Ca+2],
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:303,invalid,,,,,[Cl-],
,,,AMP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,6EP2,,,,,,,
,,,CA:F:303,Part of Protein,,,,,[Ca+2],
,,,CA:C:303,Part of Protein,,,,,[Ca+2],
,,,CA:J:302,Part of Protein,,,,,[Ca+2],
,,,CA:E:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:H:302,Part of Protein,,,,,[Ca+2],
,,,CA:H:304,Part of Protein,,,,,[Ca+2],
,,,CA:H:303,Part of Protein,,,,,[Ca+2],
,,,CA:J:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:303,Part of Protein,,,,,[Ca+2],
,,,CA:B:303,Part of Protein,,,,,[Ca+2],
,,,CA:E:302,Part of Protein,,,,,[Ca+2],
,,,CA:L:303,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:G:302,Part of Protein,,,,,[Ca+2],
,,,CA:K:302,Part of Protein,,,,,[Ca+2],
,,,CA:I:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:L:302,Part of Protein,,,,,[Ca+2],
,,,CA:F:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,CA:G:303,Part of Protein,,,,,[Ca+2],
,,,CA:G:304,Part of Protein,,,,,[Ca+2],
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:K:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:F:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:L:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3ZSN,,,,,,,
,,,BEN:A:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1399,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1400,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MIV:A:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MIV:B:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MIV:C:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,4AW3,,,,,,,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1403,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MYV:A:500,valid,,,,,CC[C@@H]1[C@](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O,
,,,MYV:B:500,valid,,,,,CC[C@@H]1[C@](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O,
,,,SO4:A:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1398,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y5N,,,,,,,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MG:A:1406,invalid,,,,,[Mg+2],
,,,MYV:A:460,valid,,,,,CC[C@@H]1[C@](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O,
,,,MYV:B:460,valid,,,,,CC[C@@H]1[C@](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)(CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC)O,
,,2Y98,,,,,,,
,,,CL:A:1398,invalid,,,,,[Cl-],
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MIV:A:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,SO4:A:1399,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2Y5Z,,,,,,,
,,,BEN:A:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1402,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1400,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,ZM3:A:460,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,,ZM3:B:460,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,,ZM3:C:460,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,2YCA,,,,,,,
,,,GOL:A:1398,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,SIN:A:1401,invalid,,,,,C(CC(=O)O)C(=O)O,
,,,ZM3:A:460,valid,,,,,CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)OC,
,,2Y46,,,,,,,
,,,BEN:A:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:B:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,BEN:C:1398,invalid,,,,,[H]/N=C(c1ccccc1)/N,
,,,GOL:A:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1400,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1399,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:1400,invalid,,,,,C(C(CO)O)O,
,,,HEM:A:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:B:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:C:450,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,MIV:A:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MIV:B:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,,,MIV:C:460,valid,,,,,CC[C@@H]1[C@H](C=CC=CC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=CC(=O)O1)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC,
,Family. Representative Entry is ,6DN6,,,,,,,
,,,ILE ASN ASN ASN ABU:B:1,valid,Kd,=,7,nM,O=C(N)CC1C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCCCC(=O)NC(C(CC)C)C(=O)N1,
,,6DN5,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRP ASP ILE ASN ASN ASN BAL:B:1,valid,Kd,=,32,nM,O=C([O-])CC1C(=O)NC(C(CC)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCCC(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)N1,
,Family. Representative Entry is ,2FF4,,,,,,,
,,,SER LEU GLU VAL TPO GLU ALA ASP THR:E:1,valid,Kd,=,185,uM,P(=O)(OC(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])C)C)C)([O-])[O-],
,,,SER LEU GLU VAL TPO GLU ALA ASP THR:F:3,valid,Kd,=,185,uM,P(=O)(OC(C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C([NH3+])CO)CC(C)C)CCC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C=O)CC(=O)[O-])C)C)C)([O-])[O-],
,Family. Representative Entry is ,2VNF,,,,,,,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS SER:B:1,valid,Kd,=,3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,ALA ARG THR M3L GLN THR ALA ARG LYS SER:D:1,valid,Kd,=,3,uM,O=C(NC(C(=O)NC(C(=O)NC(C=O)C(O)C)CCC(=O)N)CCCC[N+](C)(C)C)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)C(O)C,
,,,DTT:A:1245,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTU:C:1246,invalid,,,,,C([C@H]([C@H](CS)O)O)S,
,,,NA:A:300,invalid,,,,,[Na+],
,,,ZN:A:1246,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1247,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1247,Part of Protein,,,,,[Zn+2],
,,,ZN:C:1248,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6CDG,,,,,,,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,PRO GLY LEU TRP LYS SER:B:1,valid,Kd,=,1.9,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(C)C)Cc1c2c([nH]c1)cccc2)CCCC[NH3+])C,
,,6CD8,,,,,,,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:B:301,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:B:308,invalid,,,,,*,
,,,UNX:B:302,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,PRO SER ARG VAL:C:1,valid,Kd,=,19.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CO)CCCNC(=[NH2+])N)C(C)C,
,,,PRO SER ARG VAL:D:1,valid,Kd,=,19.4,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CO)CCCNC(=[NH2+])N)C(C)C,
,,6WZZ,,,,,,,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,VAL GLY LEU TRP LYS SER:B:1,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC)CCCC[NH3+])Cc1c2c([nH]c1)cccc2)CC(C)C)C([NH3+])C(C)C,
,,6CD9,,,,,,,
,,,UNX:A:332,invalid,,,,,*,
,,,UNX:A:339,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:344,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:A:338,invalid,,,,,*,
,,,UNX:A:343,invalid,,,,,*,
,,,UNX:A:336,invalid,,,,,*,
,,,UNX:A:342,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:345,invalid,,,,,*,
,,,UNX:A:323,invalid,,,,,*,
,,,UNX:A:315,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:A:329,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:334,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:A:321,invalid,,,,,*,
,,,UNX:A:341,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:A:335,invalid,,,,,*,
,,,UNX:A:330,invalid,,,,,*,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:331,invalid,,,,,*,
,,,UNX:B:101,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:A:322,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:337,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:340,invalid,,,,,*,
,,,UNX:A:324,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:A:333,invalid,,,,,*,
,,,PRO SER ARG TRP:B:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C1[NH2+]CCC1)CO)CCCNC(=[NH2+])N)Cc1c2c([nH]c1)cccc2,
,,6WZX,,,,,,,
,,,UNX:A:309,invalid,,,,,*,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:B:301,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:B:306,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:B:302,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:B:307,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,ILE GLY LEU TRP LYS SER:C:1,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C(CC)C,
,,,ILE GLY LEU TRP LYS SER:D:1,valid,,,,,O=C(NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)C)C)C)C([NH3+])C(CC)C,
,,6CDC,,,,,,,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:A:301,invalid,,,,,*,
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:C:101,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,PRO GLY LEU TRP:C:1,valid,Kd,=,2.5,uM,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C1[NH2+]CCC1)CC(C)C)Cc1c2c([nH]c1)cccc2,
,,6CCT,,,,,,,
,,,PRO THR LEU VAL:B:1,valid,,,,,O=C(NC(C(=O)NC)CC)C(NC(=O)C1[NH2+]CCC1)C(O)C,
,Family. Representative Entry is ,5DJT,,,,,,,
,,,FMN:A:602,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CU:A:601,Part of Protein,,,,,[Cu+2],
,Family. Representative Entry is ,6TC2,,,,,,,
,,,ZN:D:103,Part of Protein,,,,,[Zn+2],
,,,ZN:B:101,Part of Protein,,,,,[Zn+2],
,,,HC4:H:101,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:G:101,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:D:102,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:K:101,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,HC4:C:101,valid,,,,,c1cc(ccc1C=CC(=O)O)O,
,,,PO4:L:101,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:H:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:102,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,SCN:D:101,invalid,,,,,C(#N)[S-],
,Family. Representative Entry is ,3ACL,,,,,,,
,,,3F1:A:302,valid,Kd,=,0.6,uM,Cc1ccc(cc1)S(=O)(=O)N=[S@](C)c2ccc(cc2)OCc3ccccc3,
,,,FE2:A:301,Part of Protein,,,,,[Fe+2],
,Family. Representative Entry is ,3RLB,,,,,,,
,,,BNG:A:183,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:184,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:185,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:186,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:187,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:188,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:189,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:183,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:184,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:185,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:B:186,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,VIB:A:191,valid,Kd,=,120,pM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,,,VIB:B:187,valid,Kd,=,120,pM,Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO,
,Family. Representative Entry is ,6Y20,,,,,,,
,,,MYR:B:501,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,NH2:C:401,invalid,,,,,[NH2],
,,,NH2:D:401,invalid,,,,,[NH2],
,Family. Representative Entry is ,6NV2,,,,,,,
,,,0V4:A:302,valid,,,,,C[C@@H]1[C@@H]2CC[C@@H](/C2=C/[C@]3(CCC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(C)C)C)COC,
,,,CL:A:301,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4M20,,,,,,,
,,,COA:A:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:201,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,4Y4V,,,,,,,
,,,DAL:A:402,valid,Kd,=,224,uM,C[C@H](C(=O)O)N,
,,,DAL:A:401,valid,Kd,=,224,uM,C[C@H](C(=O)O)N,
,,,DAL:B:402,valid,Kd,=,224,uM,C[C@H](C(=O)O)N,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4GC1,,,,,,,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,4GC2,,,,,,,
,,,MAN MAN MAN NAG NAG:C:1,valid,,,,,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C(CO)OC1OCC1C(O)C(OC2C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(O)C(O)C(CO)O2)C(O)C(O)O1)C,
,Family. Representative Entry is ,5OVC,,,,,,,
,,,CL:A:701,invalid,,,,,[Cl-],
,,,ACE GLU ALA GLN THR ARG LEU:B:986,valid,Kd,=,1.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)[O-])C)CCC(=O)N)C(O)C)CCCNC(=[NH2+])N)CC(C)C,
,,6EXJ,,,,,,,
,,,ACE ASP LEU GLN THR SER ILE:D:363,valid,Kd,=,47,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CC(C)C)CCC(=O)N)C(O)C)CO)C(CC)C,
,,,ACE ASP LEU GLN THR SER ILE:B:363,valid,Kd,=,47,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CC(=O)[O-])CC(C)C)CCC(=O)N)C(O)C)CO)C(CC)C,
,,5OVP,,,,,,,
,,,ACE GLN LEU VAL THR SER LEU:B:1509,valid,Kd,=,9.1,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)N)CC(C)C)C(C)C)C(O)C)CO)CC(C)C,
,Family. Representative Entry is ,4YJ1,,,,,,,
,,,MG:A:702,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,ADP:A:701,valid,Kd,=,885,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6GRH,,,,,,,
,,,EDO:C:402,invalid,,,,,C(CO)O,
,,,EDO:2:403,invalid,,,,,C(CO)O,
,,,EDO:2:404,invalid,,,,,C(CO)O,
,,,EDO:1:404,invalid,,,,,C(CO)O,
,,,EDO:2:402,invalid,,,,,C(CO)O,
,,,EDO:D:701,invalid,,,,,C(CO)O,
,,,EDO:1:405,invalid,,,,,C(CO)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,SO4:1:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:1:403,invalid,,,,,[Cl-],
,,,CL:D:702,invalid,,,,,[Cl-],
,,,ZN:1:401,Part of Protein,,,,,[Zn+2],
,,,ZN:2:401,Part of Protein,,,,,[Zn+2],
,,,GOL:D:703,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6MGB,,,,,,,
,,,C5P:A:403,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,MG:A:402,invalid,,,,,[Mg+2],
,,,CL:A:401,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6I8V,,,,,,,
,,,BU1:A:304,invalid,,,,,C(CCO)CO,
,,,BU1:A:305,invalid,,,,,C(CCO)CO,
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:A:303,Part of Protein,,,,,[Ca+2],
,,,ATP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3GFZ,,,,,,,
,,,C2E:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,FMN:A:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MN:A:502,Part of Protein,,,,,[Mn+2],
,,,MN:A:503,Part of Protein,,,,,[Mn+2],
,,,MN:B:502,Part of Protein,,,,,[Mn+2],
,,,MN:B:503,Part of Protein,,,,,[Mn+2],
,,3GG1,,,,,,,
,,,C2E:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,FMN:A:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:504,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,3GFX,,,,,,,
,,,C2E:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,CA:A:503,Part of Protein,,,,,[Ca+2],
,,,CA:B:503,Part of Protein,,,,,[Ca+2],
,,,FMN:A:1137,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1137,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,6GPN,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,OGA:B:402,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,6HL9,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,SIN:A:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:402,valid,,,,,C(CC(=O)O)C(=O)O,
,,6HL8,,,,,,,
,,,FE2:A:401,Part of Protein,,,,,[Fe+2],
,,,FE2:B:401,Part of Protein,,,,,[Fe+2],
,,,GUA:A:402,valid,,,,,C(CC(=O)O)CC(=O)O,
,,,GUA:B:402,valid,,,,,C(CC(=O)O)CC(=O)O,
,Family. Representative Entry is ,6RS9,,,,,,,
,,,XYP XYP XYP XYP:C:1,valid,,,,,O(C1C(O)C(O)C(OC2C(O)C(O)C(O)CO2)CO1)C1C(O)C(O)C(OC2C(O)C(O)COC2)OC1,
,,,NAG NAG:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,BCN:A:308,invalid,,,,,C(CO)N(CCO)CC(=O)O,
,,,MAN:A:303,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,6S2M,,,,,,,
,,,VCA:A:202,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6EW4,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,2WUT,,,,,,,
,,,CL:A:1135,invalid,,,,,[Cl-],
,,,GOL:A:1136,invalid,,,,,C(C(CO)O)O,
,,,PLM:A:1134,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6XU5,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CIT:A:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,4BVM,,,,,,,
,,,CIT:A:1135,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1134,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:A:1132,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,VCA:A:1133,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,6XVQ,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CIT:A:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,6XVY,,,,,,,
,,,CIT:D:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:D:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:E:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:C:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:E:202,invalid,,,,,[Cl-],
,,,CL:D:202,invalid,,,,,[Cl-],
,,,CL:C:202,invalid,,,,,[Cl-],
,,,CL:B:202,invalid,,,,,[Cl-],
,,6EW2,,,,,,,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CL:A:202,invalid,,,,,[Cl-],
,,4D6B,,,,,,,
,,,SO4:A:1138,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1133,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1137,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1132,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1135,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1136,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PLM:A:1134,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6XVR,,,,,,,
,,,SO4:A:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6EW5,,,,,,,
,,,PLM:C:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:D:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,6XUA,,,,,,,
,,,PLM:B:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,CIT:B:203,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,5N4Q,,,,,,,
,,,MLT:A:203,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,VCA:A:202,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,4D6A,,,,,,,
,,,CIT:A:1132,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1133,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:A:1134,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,5N4P,,,,,,,
,,,VCA:A:203,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,MLT:A:202,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,6S2S,,,,,,,
,,,VCA:A:204,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,,CIT:A:202,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:201,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PLM:A:203,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,5N4M,,,,,,,
,,,MLT:A:203,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,VCA:A:202,valid,,,,,CCCCCCC=CCCCCCCCCCC(=O)O,
,,6XUW,,,,,,,
,,,CL:A:202,invalid,,,,,[Cl-],
,,,PLM:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6UKV,,,,,,,
,,,QB1:A:401,valid,ic50,=,1.5,nM,COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O,
,,,QB1:B:401,valid,ic50,=,1.5,nM,COc1cc2cc(sc2cc1OCCCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)C(=O)CCC(=O)O,
,,6UKZ,,,,,,,
,,,QBG:A:401,valid,ic50,=,4,nM,COc1cc2c(cc1OCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)cc(s2)C(=O)CCC(=O)O,
,,6UKM,,,,,,,
,,,QAD:A:401,valid,,,,,COc1cc2cc(sc2cc1OC)C(=O)CCC(=O)O,
,,6UKW,,,,,,,
,,,QB7:B:401,valid,,,,,COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O,
,,,QB7:A:401,valid,,,,,COc1cc2cc(sc2cc1OCCCOc3c(cc4c(c3F)cc(s4)C(=O)CCC(=O)O)OC)C(=O)CCC(=O)O,
,,6UKX,,,,,,,
,,,QBA:A:401,valid,ic50,=,17,nM,COc1cc2cc(sc2cc1OCCCOc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O)C(=O)CCC(=O)O,
,,6UKY,,,,,,,
,,,QBD:A:401,valid,ic50,=,10,nM,COc1cc(c2cc(sc2c1)C(=O)CCC(=O)O)CCCc3cc4c(cc3OC)cc(s4)C(=O)CCC(=O)O,
,,6UL0,,,,,,,
,,,QBJ:A:401,valid,ic50,=,16,nM,COc1cc2c(cc1/C=CCOc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O,
,,6UKU,,,,,,,
,,,QAV:A:401,valid,ic50,=,8,nM,COc1cc2c(cc1CCCc3cc4cc(sc4cc3OC)C(=O)CCC(=O)O)cc(s2)C(=O)CCC(=O)O,
,Family. Representative Entry is ,3C0O,,,,,,,
,,,ACT:A:600,invalid,,,,,CC(=O)[O-],
,,,M6P:A:501,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,,,M6P:B:502,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,3Q8D,,,,,,,
,,,CPS:B:600,invalid,,,,,C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,,GOL:A:800,invalid,,,,,C(C(CO)O)O,
,,,TYR MET ASP PHE ASP ASP ASP ILE PRO PHE:E:7,valid,Kd,=,0.34,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(N)C(CC)C)CCC1)Cc1ccccc1,
,,,TYR MET ASP PHE ASP ASP ASP ILE PRO PHE:F:7,valid,Kd,=,0.34,uM,O=C([O-])C(NC(=O)C1N(C(=O)C(N)C(CC)C)CCC1)Cc1ccccc1,
,,,MLT:A:700,invalid,,,,,C([C@H](C(=O)O)O)C(=O)O,
,Family. Representative Entry is ,6F9G,,,,,,,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:403,invalid,,,,,C(C(CO)O)O,
,,,PUT:C:401,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:E:401,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:D:401,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:A:401,valid,Kd,=,2,uM,C(CCN)CN,
,,,PUT:B:401,valid,Kd,=,2,uM,C(CCN)CN,
,,,ACT:C:402,invalid,,,,,CC(=O)[O-],
,,,ACT:D:402,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,6QVA,,,,,,,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,9PI:A:605,valid,ic50,~,1,uM,OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,3PO:A:606,valid,,,,,OP(=O)(O)OP(=O)(O)OP(=O)(O)O,
,,,PO4:A:607,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,3RUL,,,,,,,
,,,CL:B:103,invalid,,,,,[Cl-],
,,,HGM DTY HCL GHP GHP OMY HG7 N1L MAN M12:E:1,valid,Kd,=,0.14,uM,Clc1c(O)cc2Oc3c(O)ccc(C([NH2+]C)C(=O)NC4C(=O)NC(C(=O)NC5C(=O)NC6C(=O)NC(C(=O)NC(C(=O)NCCC[NH+](C)C)c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(O)c6cc(Cl)c(Oc7c(OC8C(NC(=O)CCCCCCCCC(C)C)C(O)C(O)C(C(=O)[O-])O8)c(Oc8ccc(cc8)C4)cc5c7)cc6)c1c2)c3,
,,,HGM DTY HCL GHP GHP OMY HG7 N1L MAN M12:F:1,valid,Kd,=,0.14,uM,Clc1c(O)cc2Oc3c(O)ccc(C([NH2+]C)C(=O)NC4C(=O)NC(C(=O)NC5C(=O)NC6C(=O)NC(C(=O)NC(C(=O)NCCC[NH+](C)C)c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(O)c6cc(Cl)c(Oc7c(OC8C(NC(=O)CCCCCCCCC(C)C)C(O)C(O)C(C(=O)[O-])O8)c(Oc8ccc(cc8)C4)cc5c7)cc6)c1c2)c3,
,,,HGM DTY HCL GHP GHP OMY HG7 N1L MAN M12:G:1,valid,Kd,=,0.14,uM,Clc1c(O)cc2Oc3c(O)ccc(C([NH2+]C)C(=O)NC4C(=O)NC(C(=O)NC5C(=O)NC6C(=O)NC(C(=O)NC(C(=O)NCCC[NH+](C)C)c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(O)c6cc(Cl)c(Oc7c(OC8C(NC(=O)CCCCCCCCC(C)C)C(O)C(O)C(C(=O)[O-])O8)c(Oc8ccc(cc8)C4)cc5c7)cc6)c1c2)c3,
,,,HGM DTY HCL GHP GHP OMY HG7 N1L MAN M12:H:1,valid,Kd,=,0.14,uM,Clc1c(O)cc2Oc3c(O)ccc(C([NH2+]C)C(=O)NC4C(=O)NC(C(=O)NC5C(=O)NC6C(=O)NC(C(=O)NC(C(=O)NCCC[NH+](C)C)c7c(c(OC8C(O)C(O)C(O)C(CO)O8)cc(O)c7)-c7c(O)ccc6c7)C(O)c6cc(Cl)c(Oc7c(OC8C(NC(=O)CCCCCCCCC(C)C)C(O)C(O)C(C(=O)[O-])O8)c(Oc8ccc(cc8)C4)cc5c7)cc6)c1c2)c3,
,,,TLA:A:101,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:A:102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:101,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,,,TLA:B:102,invalid,,,,,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O,
,Family. Representative Entry is ,5EPQ,,,,,,,
,,,OLA:A:210,valid,,,,,CCCCCCCCC=C/CCCCCCCC(=O)O,
,,,NAG:A:209,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,EDO:A:211,invalid,,,,,C(CO)O,
,,,NAG NAG BMA:B:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG BMA:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,Family. Representative Entry is ,3JQM,,,,,,,
,,,EDO:A:162,invalid,,,,,C(CO)O,
,,,EDO:A:163,invalid,,,,,C(CO)O,
,,,EDO:B:160,invalid,,,,,C(CO)O,
,,,EDO:B:161,invalid,,,,,C(CO)O,
,,,EDO:B:162,invalid,,,,,C(CO)O,
,,,EDO:C:161,invalid,,,,,C(CO)O,
,,,EDO:D:160,invalid,,,,,C(CO)O,
,,,EDO:D:161,invalid,,,,,C(CO)O,
,,,EDO:F:161,invalid,,,,,C(CO)O,
,,,EDO:F:162,invalid,,,,,C(CO)O,
,,,EDO:G:160,invalid,,,,,C(CO)O,
,,,EDO:G:161,invalid,,,,,C(CO)O,
,,,EDO:G:162,invalid,,,,,C(CO)O,
,,,EDO:G:163,invalid,,,,,C(CO)O,
,,,EDO:H:161,invalid,,,,,C(CO)O,
,,,EDO:H:162,invalid,,,,,C(CO)O,
,,,EDO:I:160,invalid,,,,,C(CO)O,
,,,EDO:I:161,invalid,,,,,C(CO)O,
,,,FLC:A:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:B:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:C:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:D:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:E:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:F:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:G:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:H:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:I:159,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:A:160,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:161,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:160,invalid,,,,,C(C(CO)O)O,
,,,GOL:F:160,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:160,invalid,,,,,C(C(CO)O)O,
,,,GTP:A:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:C:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:E:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:G:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:H:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:I:158,valid,Kd,=,44.4,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,PEG:A:164,invalid,,,,,C(COCCO)O,
,,,PEG:A:165,invalid,,,,,C(COCCO)O,
,,,PEG:B:163,invalid,,,,,C(COCCO)O,
,,,PEG:C:162,invalid,,,,,C(COCCO)O,
,,,PEG:E:160,invalid,,,,,C(COCCO)O,
,,,PEG:F:163,invalid,,,,,C(COCCO)O,
,,,PEG:H:163,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,3DCM,,,,,,,
,,,SAM:X:5452,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6AIX,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,A3P:A:501,valid,Kd,<,30,mM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,4J7N,,,,,,,
,,,GTG:A:402,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GTG:A:401,valid,,,,,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,9MG:A:403,valid,,,,,Cn1cnc2c1nc(nc2O)N,
,,6AIY,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,A3P:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N,
,,5ULI,,,,,,,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,0WD:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,5H7J,,,,,,,
,,,GCP:B:801,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4ZAD,,,,,,,
,,,K:B:602,Part of Protein,,,,,[K+],
,,,K:A:602,Part of Protein,,,,,[K+],
,,,MN:A:601,Part of Protein,,,,,[Mn+2],
,,,MN:B:601,Part of Protein,,,,,[Mn+2],
,,,4LU:A:603,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,,,4LU:B:603,valid,,,,,Cc1cc2c3c(c1C)C(CC=[N+]3C4=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)NC(=O)NC4=O)(C)C,
,Family. Representative Entry is ,5DYO,,,,,,,
,,,FLU:A:301,valid,,,,,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,,FLU:H:901,valid,,,,,c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O,
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:901,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4UIN,,,,,,,
,,,QI9:H:1226,valid,Kd,=,24,nM,COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)O,
,Family. Representative Entry is ,6MJ7,,,,,,,
,,,ARG:A:204,valid,,,,,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,,,DIO:A:203,invalid,,,,,C1COCCO1,
,,,ZN:A:201,Part of Protein,,,,,[Zn+2],
,,,ZN:A:202,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2OZE,,,,,,,
,,,AGS:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N,
,,,EPE:A:301,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,MG:A:299,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5FPN,,,,,,,
,,,KYD:A:1386,valid,,,,,Cc1c(c(n[nH]1)C)C(=O)O,
,,,KYD:B:1385,valid,,,,,Cc1c(c(n[nH]1)C)C(=O)O,
,,,KYD:B:1386,valid,,,,,Cc1c(c(n[nH]1)C)C(=O)O,
,,,KYD:A:1385,valid,,,,,Cc1c(c(n[nH]1)C)C(=O)O,
,Family. Representative Entry is ,3OUM,,,,,,,
,,,MN:A:233,Part of Protein,,,,,[Mn+2],
,,,TOF:A:234,valid,,,,,CN1C2=NC(=O)N(C(=O)C2=NC=N1)C,
,Family. Representative Entry is ,6EA9,,,,,,,
,,,9BG:E:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,4H0I,,,,,,,
,,,MG:A:305,invalid,,,,,[Mg+2],
,,,MG:A:303,invalid,,,,,[Mg+2],
,,,MG:A:302,invalid,,,,,[Mg+2],
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,MMA:A:301,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,5VF2,,,,,,,
,,,UNX:A:332,invalid,,,,,*,
,,,UNX:A:339,invalid,,,,,*,
,,,UNX:A:310,invalid,,,,,*,
,,,UNX:A:319,invalid,,,,,*,
,,,UNX:A:312,invalid,,,,,*,
,,,UNX:A:344,invalid,,,,,*,
,,,UNX:A:320,invalid,,,,,*,
,,,UNX:A:338,invalid,,,,,*,
,,,UNX:A:343,invalid,,,,,*,
,,,UNX:A:336,invalid,,,,,*,
,,,UNX:A:342,invalid,,,,,*,
,,,UNX:A:313,invalid,,,,,*,
,,,UNX:A:325,invalid,,,,,*,
,,,UNX:A:327,invalid,,,,,*,
,,,UNX:A:329,invalid,,,,,*,
,,,UNX:A:307,invalid,,,,,*,
,,,UNX:A:308,invalid,,,,,*,
,,,UNX:A:334,invalid,,,,,*,
,,,UNX:A:341,invalid,,,,,*,
,,,UNX:A:335,invalid,,,,,*,
,,,UNX:A:316,invalid,,,,,*,
,,,UNX:A:330,invalid,,,,,*,
,,,UNX:A:318,invalid,,,,,*,
,,,UNX:A:331,invalid,,,,,*,
,,,UNX:A:314,invalid,,,,,*,
,,,UNX:A:317,invalid,,,,,*,
,,,UNX:A:337,invalid,,,,,*,
,,,UNX:A:328,invalid,,,,,*,
,,,UNX:A:306,invalid,,,,,*,
,,,UNX:A:326,invalid,,,,,*,
,,,UNX:A:311,invalid,,,,,*,
,,,UNX:A:340,invalid,,,,,*,
,,,UNX:A:333,invalid,,,,,*,
,,,UNX UNX UNX:A:321,invalid,,,,,,
,,,UNX UNX UNX:A:304,invalid,,,,,,
,,,UNX UNX:A:309,invalid,,,,,,
,,,MG:A:345,invalid,,,,,[Mg+2],
,,,MES:A:303,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,GLC GLC:B:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:C:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6K8K,,,,,,,
,,,MG:G:703,Part of Protein,,,,,[Mg+2],
,,,MG:D:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:703,invalid,,,,,[Mg+2],
,,,MG:D:704,Part of Protein,,,,,[Mg+2],
,,,FAD:D:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:G:701,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,AMP:A:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:D:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:B:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,AMP:G:702,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6ZSJ,,,,,,,
,,,GNP:A:201,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,Kd,=,0.24,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,6ZSI,,,,,,,
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,GNP:A:201,valid,Kd,=,0.29,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,Kd,=,0.29,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,PEG:B:202,invalid,,,,,C(COCCO)O,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4XIZ,,,,,,,
,,,LPP:A:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,,,LPP:B:201,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,5YYF,,,,,,,
,,,PHQ GLN THR ALA ARG LYS NH2 FOA:D:4,valid,Kd,=,0.33,uM,O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCCNC(=O)c1occc1)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N,
,,,PHQ GLN THR ALA ARG LYS NH2 FOA:B:4,valid,Kd,=,0.33,uM,O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[NH3+])CCCCNC(=O)c1occc1)CCCNC(=[NH2+])N)C)C(O)C)CCC(=O)N,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3V0W,,,,,,,
,,,SO4:H:311,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:312,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:313,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:314,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:315,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:H:316,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1:A:1,valid,Kd,=,32,nM,P(=O)(OC1C(OC2C(O)C(OC3C(OC4C(OC5C([NH3+])C(O)C(O)C(CO)O5)C(O)C(O)C(CO)O4)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C(OC2C(OP(=O)([O-])[O-])C(C(O)CO)OC(OC3C(C(O)CO)OC(O)(C(=O)[O-])CC3OC3(C(=O)[O-])OC(C(O)CO)C(O)C(O)C3)C2O)OC1C(O)COC1C(O)C(O)C(O)C(C(O)CO)O1)([O-])[O-],
,Family. Representative Entry is ,6DET,,,,,,,
,,,ARG:A:500,valid,Kd,=,0.006,uM,C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N,
,Family. Representative Entry is ,2FQX,,,,,,,
,,,GMP:A:400,valid,Kd,=,71,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N,
,,2FQW,,,,,,,
,,,NOS:A:400,valid,Kd,=,210,nM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC2=O,
,,2FQY,,,,,,,
,,,ADN:A:400,valid,Kd,=,270,nM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,
,Family. Representative Entry is ,4HDQ,,,,,,,
,,,MG:B:200,Part of Protein,,,,,[Mg+2],
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GOL:A:801,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5DXV,,,,,,,
,,,PEG:A:202,invalid,,,,,C(COCCO)O,
,,,PEG:B:301,invalid,,,,,C(COCCO)O,
,,,EDO:B:302,invalid,,,,,C(CO)O,
,,,EDO:A:203,invalid,,,,,C(CO)O,
,,,CL:B:303,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,NAP:A:201,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4YHB,,,,,,,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:305,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,ZN:B:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3UBW,,,,,,,
,,,6SP:A:240,valid,,,,,C1CNC[C@H]1O,
,,,TBU:A:235,invalid,,,,,CC(C)(C)O,
,,,TBU:A:236,invalid,,,,,CC(C)(C)O,
,,,TBU:A:237,invalid,,,,,CC(C)(C)O,
,,,TBU:A:238,invalid,,,,,CC(C)(C)O,
,,,TBU:A:239,invalid,,,,,CC(C)(C)O,
,Family. Representative Entry is ,7BP6,,,,,,,
,,,ASP ALA ASP GLU GLU ASP PHE:A:226,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])Cc1ccccc1,
,,7BP4,,,,,,,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,ASP ASP ASP ASP TYR:L:228,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])Cc1ccc(O)cc1,
,,,ASP ASP ASP ASP TYR:C:228,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])Cc1ccc(O)cc1,
,,7BP5,,,,,,,
,,,ASN ASP PRO ASP TYR:C:373,valid,,,,,,
,,,GOL:B:201,invalid,,,,,C(C(CO)O)O,
,,,GLU GLU ASN ASP PRO ASP TYR:C:373,invalid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(N)CC(=O)N)CC(=O)[O-])CCC1)CC(=O)[O-])Cc1ccc(O)cc1,
,Family. Representative Entry is ,2QZT,,,,,,,
,,,PLM:A:300,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,3BDQ,,,,,,,
,,,PLM:A:300,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:A:302,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,,,PLM:B:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)O,
,Family. Representative Entry is ,6A20,,,,,,,
,,,MG:A:503,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,P6G:A:504,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,5BXA,,,,,,,
,,,CD:A:501,invalid,,,,,[Cd+2],
,,,CD:A:504,invalid,,,,,[Cd+2],
,,,CD:A:503,invalid,,,,,[Cd+2],
,,,CD:A:502,invalid,,,,,[Cd+2],
,,,MAN:A:507,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:508,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:505,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:A:506,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,EDO:A:510,invalid,,,,,C(CO)O,
,,,CL:A:509,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6FMQ,,,,,,,
,,,ACT:A:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:705,invalid,,,,,CC(=O)[O-],
,,,ACT:A:707,invalid,,,,,CC(=O)[O-],
,,,ACT:B:704,invalid,,,,,CC(=O)[O-],
,,,ACT:A:706,invalid,,,,,CC(=O)[O-],
,,,ACT:A:703,invalid,,,,,CC(=O)[O-],
,,,ACT:B:703,invalid,,,,,CC(=O)[O-],
,,,EDO:A:702,invalid,,,,,C(CO)O,
,,,EDO:A:701,invalid,,,,,C(CO)O,
,,,EDO:B:702,invalid,,,,,C(CO)O,
,,,EDO:B:701,invalid,,,,,C(CO)O,
,,,NA:B:708,invalid,,,,,[Na+],
,,,NA:B:705,Part of Protein,,,,,[Na+],
,,,NA:A:709,invalid,,,,,[Na+],
,,,NA:A:710,invalid,,,,,[Na+],
,,,NA:B:707,invalid,,,,,[Na+],
,,,NA:A:708,invalid,,,,,[Na+],
,,,NA:B:706,invalid,,,,,[Na+],
,,,ACE DYW GLU THR GLY GLU LEU:D:1,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C1[N+](C(=O)C(NC(=O)C)CC(=O)[O-])=CCC1)CCC(=O)[O-])C(O)C)CCC(=O)[O-])CC(C)C,
,Family. Representative Entry is ,5H1W,,,,,,,
,,,MN:B:302,Part of Protein,,,,,[Mn+2],
,,,MN:A:302,Part of Protein,,,,,[Mn+2],
,,,1PE:B:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:304,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,1PE:A:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,LER:A:301,valid,,,,,C([C@@H](C(=O)CO)O)O,
,,,LER:B:301,valid,,,,,C([C@@H](C(=O)CO)O)O,
,Family. Representative Entry is ,5DP2,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,Family. Representative Entry is ,4GCS,,,,,,,
,,,1RG:A:401,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,,1RG:B:401,valid,,,,,C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O)C(=O)O)[C@H](C=O)[C@@H](C)O,
,,4GCQ,,,,,,,
,,,0JM:A:401,valid,,,,,CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C,
,,,0JM:B:401,valid,,,,,CC1([C@@H](N2[C@@H]([C@H]([C@H]2S1)NC(=O)[C@@H](c3ccccc3)C(=O)O)O)C(=O)O)C,
,,4GCP,,,,,,,
,,,AIC:A:401,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,,,AIC:B:401,valid,,,,,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)O)C,
,Family. Representative Entry is ,4EOY,,,,,,,
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:204,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CL:F:301,invalid,,,,,[Cl-],
,,,CL:C:201,invalid,,,,,[Cl-],
,,,CL:A:204,invalid,,,,,[Cl-],
,,,ACT:B:201,invalid,,,,,CC(=O)[O-],
,,,ACT:C:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,MG:C:203,Part of Protein,,,,,[Mg+2],
,,,ASN ASP TRP LEU LEU PRO SER TYR:F:103,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(=O)[O-])Cc2c3c([nH]c2)cccc3)CC(C)C)CC(C)C)CCC1)CO)Cc1ccc(O)cc1,
,,,ASN ASP TRP LEU LEU PRO SER TYR:E:103,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(=O)[O-])Cc2c3c([nH]c2)cccc3)CC(C)C)CC(C)C)CCC1)CO)Cc1ccc(O)cc1,
,,,ASN ASP TRP LEU LEU PRO SER TYR:D:103,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])CC(=O)N)CC(=O)[O-])Cc2c3c([nH]c2)cccc3)CC(C)C)CC(C)C)CCC1)CO)Cc1ccc(O)cc1,
,Family. Representative Entry is ,5LV1,,,,,,,
,,,78T:C:301,valid,,,,,OP(=O)[O-],
,,,78T:A:301,valid,,,,,OP(=O)[O-],
,,,78T:B:301,valid,,,,,OP(=O)[O-],
,Family. Representative Entry is ,5SZH,,,,,,,
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,,GNP:B:301,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5W75,,,,,,,
,,,SO4:B:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:409,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GDP:B:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:D:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:C:401,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:D:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,MG:C:402,Part of Protein,,,,,[Mg+2],
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:G:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,invalid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:H:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6O24,,,,,,,
,,,EDO:B:301,invalid,,,,,C(CO)O,
,,,EDO:K:201,invalid,,,,,C(CO)O,
,,,EDO:A:301,invalid,,,,,C(CO)O,
,,,EDO:A:302,invalid,,,,,C(CO)O,
,,,CIT:B:302,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,5J75,,,,,,,
,,,6GQ:A:303,valid,Ki,=,0.63,nM,Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3,
,,,6GQ:B:303,valid,Ki,=,0.63,nM,Cc1ccc(cc1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)c3ccccn3,
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6PTZ,,,,,,,
,,,PEG:A:509,invalid,,,,,C(COCCO)O,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:503,invalid,,,,,C(COCCO)O,
,,,PEG:A:508,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,GOL:A:510,invalid,,,,,C(C(CO)O)O,
,,,MG:A:502,invalid,,,,,[Mg+2],
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,6PU0,,,,,,,
,,,PEG:A:505,invalid,,,,,C(COCCO)O,
,,,PEG:A:507,invalid,,,,,C(COCCO)O,
,,,PEG:A:506,invalid,,,,,C(COCCO)O,
,,,PEG:A:504,invalid,,,,,C(COCCO)O,
,,,PGE:A:502,invalid,,,,,C(COCCOCCO)O,
,,,GOL:A:508,invalid,,,,,C(C(CO)O)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,FAD:A:501,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,5MDR,,,,,,,
,,,NA:C:409,Part of Protein,,,,,[Na+],
,,,NA:A:413,Part of Protein,,,,,[Na+],
,,,NA:B:411,Part of Protein,,,,,[Na+],
,,,NA:A:415,Part of Protein,,,,,[Na+],
,,,NA:D:412,Part of Protein,,,,,[Na+],
,,,NA:F:409,Part of Protein,,,,,[Na+],
,,,NA:B:410,Part of Protein,,,,,[Na+],
,,,NA:E:409,Part of Protein,,,,,[Na+],
,,,NA:E:411,Part of Protein,,,,,[Na+],
,,,NA:D:411,Part of Protein,,,,,[Na+],
,,,NA:D:413,Part of Protein,,,,,[Na+],
,,,NA:C:408,Part of Protein,,,,,[Na+],
,,,NA:A:414,Part of Protein,,,,,[Na+],
,,,NA:D:410,Part of Protein,,,,,[Na+],
,,,NA:E:410,Part of Protein,,,,,[Na+],
,,,NA:F:408,Part of Protein,,,,,[Na+],
,,,NA:B:409,Part of Protein,,,,,[Na+],
,,,NA:A:416,Part of Protein,,,,,[Na+],
,,,NAG NAG NAG NAG NAG NAG:L:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:I:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:K:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:J:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,NAG NAG NAG NAG NAG NAG:H:1,valid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(OC2C(O)C(NC(=O)C)C(OC3C(O)C(NC(=O)C)C(O)OC3CO)OC2CO)OC1CO)C,
,,,C8E:A:405,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:E:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:D:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:D:402,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:E:402,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:D:403,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:406,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:402,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:F:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:404,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:C:401,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:B:402,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,,,C8E:A:403,invalid,,,,,CCCCCCCCOCCOCCOCCOCCO,
,Family. Representative Entry is ,5N49,,,,,,,
,,,8LW:B:701,valid,ic50,=,450,nM,Cc1cc2c(cc1N3C(=O)c4cccc5c4c(ccc5)C3=O)N(C(=O)N2C)C,
,,3RCW,,,,,,,
,,,ACT:D:1,invalid,,,,,CC(=O)[O-],
,,,ACT:H:2,invalid,,,,,CC(=O)[O-],
,,,EDO:F:2,invalid,,,,,C(CO)O,
,,,EDO:G:1,invalid,,,,,C(CO)O,
,,,MB3:C:1,valid,,,,,CN1CCCC1=O,
,Family. Representative Entry is ,5UZ8,,,,,,,
,,,GSH:A:2611,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,CA:A:2604,Part of Protein,,,,,[Ca+2],
,,,CA:A:2606,Part of Protein,,,,,[Ca+2],
,,,CA:A:2607,Part of Protein,,,,,[Ca+2],
,,,CA:A:2610,Part of Protein,,,,,[Ca+2],
,,,CA:A:2605,Part of Protein,,,,,[Ca+2],
,,,CA:A:2609,Part of Protein,,,,,[Ca+2],
,,,CA:A:2608,Part of Protein,,,,,[Ca+2],
,,,CL:A:2601,invalid,,,,,[Cl-],
,,,CL:A:2602,invalid,,,,,[Cl-],
,,,CL:A:2603,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4AZW,,,,,,,
,,,ATP:A:1450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1452,Part of Protein,,,,,[Mg+2],
,,,MG:A:1453,Part of Protein,,,,,[Mg+2],
,,,SAM:A:1451,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6BC0,,,,,,,
,,,GSP:F:202,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N,
,,,MG:F:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2VYT,,,,,,,
,,,MLZ:A:1244,valid,Kd,=,1.84,mM,CNCCCC[C@@H](C(=O)O)N,
,,,MLZ:B:1244,valid,Kd,=,1.84,mM,CNCCCC[C@@H](C(=O)O)N,
,,,PGE:B:1245,invalid,,,,,C(COCCOCCO)O,
,Family. Representative Entry is ,2RHI,,,,,,,
,,,LYS ALA THR LYS MLY:B:24,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(N)C(O)C)CCCC[NH3+])CCCC[NH+](C)C,
,,,PEG:A:2,invalid,,,,,C(COCCO)O,
,,,PG4:A:1,invalid,,,,,C(COCCOCCOCCO)O,
,,2RHX,,,,,,,
,,,MLY:A:537,valid,,,,,CN(C)CCCC[C@@H](C(=O)O)N,
,,,PG4:A:538,invalid,,,,,C(COCCOCCOCCO)O,
,,,PGE:A:539,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2RHU,,,,,,,
,,,MLY:A:530,valid,,,,,CN(C)CCCC[C@@H](C(=O)O)N,
,,,PEG:A:2,invalid,,,,,C(COCCO)O,
,,,PG4:A:531,invalid,,,,,C(COCCOCCOCCO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3OQ5,,,,,,,
,,,THR SER ARG HIS LYS MLZ LEU MET PHE LYS:D:382,valid,,,,,O=CC([NH3+])CCCC[NH2+]C,
,,,THR SER ARG HIS LYS MLZ LEU MET PHE LYS:E:382,valid,,,,,O=CC([NH3+])CCCC[NH2+]C,
,,2PQW,,,,,,,
,,,ACT:A:523,invalid,,,,,CC(=O)[O-],
,,,ACT:A:524,invalid,,,,,CC(=O)[O-],
,,,ACT:A:525,invalid,,,,,CC(=O)[O-],
,,,ARG HIS ARG MLY VAL LEU ARG ASP ASN:B:17,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)Cc1nc[nH]c1)CCCNC(=[NH2+])N)CCCC[NH+](C)C)C(C)C)CC(C)C)CCCNC(=[NH2+])N)CC(=O)[O-])CC(=O)N,
,,2RHY,,,,,,,
,,,MLZ:A:1,valid,,,,,CNCCCC[C@@H](C(=O)O)N,
,,,PEG:A:520,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,4J6W,,,,,,,
,,,MG:C:104,invalid,,,,,[Mg+2],
,,,MG:D:104,Part of Protein,,,,,[Mg+2],
,,,MG:B:102,invalid,,,,,[Mg+2],
,,,MG:E:105,invalid,,,,,[Mg+2],
,,,MG:C:103,invalid,,,,,[Mg+2],
,,,MG:A:103,Part of Protein,,,,,[Mg+2],
,,,MG:D:105,invalid,,,,,[Mg+2],
,,,MG:E:104,invalid,,,,,[Mg+2],
,,,CL:E:103,invalid,,,,,[Cl-],
,,,CL:F:103,invalid,,,,,[Cl-],
,,,CTP:A:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:F:102,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:B:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:D:102,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:E:102,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,CTP:C:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,P6G:D:103,invalid,,,,,C(COCCOCCOCCOCCOCCO)O,
,,,NA:F:104,Part of Protein,,,,,[Na+],
,,,NA:A:104,invalid,,,,,[Na+],
,,,NA:F:105,invalid,,,,,[Na+],
,,,C:E:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:D:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:A:102,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C:C:102,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,CDP:F:101,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4MML,,,,,,,
,,,MG:A:102,invalid,,,,,[Mg+2],
,,,SO4:A:101,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U:A:103,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4J6X,,,,,,,
,,,UTP:A:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:D:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:C:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:E:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:F:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,,UTP:B:101,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O,
,,4J5Y,,,,,,,
,,,NA:D:103,Part of Protein,,,,,[Na+],
,,,NA:A:102,invalid,,,,,[Na+],
,,,PEG:D:102,invalid,,,,,C(COCCO)O,
,,,ATP:F:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:101,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3F70,,,,,,,
,,,MLZ:A:20,valid,Kd,=,14,uM,CNCCCC[C@@H](C(=O)O)N,
,,,MLZ:B:20,valid,Kd,=,14,uM,CNCCCC[C@@H](C(=O)O)N,
,Family. Representative Entry is ,4OMJ,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,2TX:B:308,valid,Kd,=,5.44,uM,CC(=CCC/C(=C/CC/C(=C/CC/C=C(C)/CC/C=C(C)/CC[C@H]1C(O1)(C)C)/C)/C)C,
,,,2TX:A:310,valid,Kd,=,5.44,uM,CC(=CCC/C(=C/CC/C(=C/CC/C=C(C)/CC/C=C(C)/CC[C@H]1C(O1)(C)C)/C)/C)C,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,CL:A:308,invalid,,,,,[Cl-],
,,,CL:B:305,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:309,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,4OMK,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,IPA:A:306,invalid,,,,,CC(C)O,
,,,IPA:B:306,invalid,,,,,CC(C)O,
,,,CL:B:304,invalid,,,,,[Cl-],
,,,CL:A:304,invalid,,,,,[Cl-],
,,,SQL:A:305,valid,Kd,=,40.1,uM,CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C)/C)C,
,,,SQL:B:305,valid,Kd,=,40.1,uM,CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)/C)/C)C,
,Family. Representative Entry is ,6MG5,,,,,,,
,,,6ZW:B:302,valid,Kd,=,20.3,uM,CCN(CC)c1ccc2c(c1)OC(=O)C=C2C,
,,,PO4:A:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,6W4Y,,,,,,,
,,,GOL:A:302,invalid,,,,,C(C(CO)O)O,
,,,PO4:A:303,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:301,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,7ZW:A:301,valid,,,,,CC(C)C[C@@H]1C(=O)N(C(=O)N1)CC(=O)Nc2ccc(cc2)C(F)(F)F,
,Family. Representative Entry is ,6NWD,,,,,,,
,,,PX4:A:1304,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,PX4:A:1302,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,PX4:A:1303,valid,,,,,CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC,
,,,D10:A:1305,valid,,,,,CCCCCCCCCC,
,,,RET:A:1301,invalid,,,,,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C,
,,,D12:A:1306,invalid,,,,,CCCCCCCCCCCC,
,Family. Representative Entry is ,6FF8,,,,,,,
,,,GTP:A:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6IPW,,,,,,,
,,,AO6:A:300,valid,,,,,CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O,
,,,AO6:C:300,valid,,,,,CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O,
,,,AO6:B:300,valid,,,,,CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O,
,,,AO6:D:300,valid,,,,,CC1=C(c2c(c3ccccc3[nH]2)C(=O)C1=O)C[C@@H](C)O,
,Family. Representative Entry is ,4E03,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,,4DZZ,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6I20,,,,,,,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:402,invalid,,,,,C(CO)O,
,,,EDO:D:403,invalid,,,,,C(CO)O,
,,,EDO:D:402,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:402,invalid,,,,,C(CO)O,
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,FMN:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,CL:D:404,invalid,,,,,[Cl-],
,,,CL:C:402,invalid,,,,,[Cl-],
,,,MES:B:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,Family. Representative Entry is ,5A98,,,,,,,
,,,MG:A:251,invalid,,,,,[Mg+2],
,,,MG:A:250,invalid,,,,,[Mg+2],
,,,MG:A:253,invalid,,,,,[Mg+2],
,,,ATP:A:252,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:A:249,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,3H41,,,,,,,
,,,ALA DGL:A:501,valid,,,,,O=C([O-])C(NC(=O)C([NH3+])C)CCC(=O)[O-],
,,,PG4:A:2,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:3,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:4,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:5,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:6,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:A:7,invalid,,,,,C(COCCOCCOCCO)O,
,,,PO4:A:1,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,6ZRN,,,,,,,
,,,GOL:A:203,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,6ZQT,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3SVL,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,Family. Representative Entry is ,2I0L,,,,,,,
,,,ARG ARG ARG GLU THR GLN VAL:C:2001,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,,,ARG ARG ARG GLU THR GLN VAL:D:2002,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCNC(=[NH2+])N)CCC(=O)[O-])C(O)C)CCC(=O)N)C(C)C,
,Family. Representative Entry is ,3QQA,,,,,,,
,,,TCH:A:211,valid,Kd,=,1.5,uM,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,,3QPS,,,,,,,
,,,CHD:A:211,valid,Kd,=,2.5,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C,
,Family. Representative Entry is ,5H5A,,,,,,,
,,,K:B:302,Part of Protein,,,,,[K+],
,,,K:D:302,Part of Protein,,,,,[K+],
,,,K:C:302,Part of Protein,,,,,[K+],
,,,K:A:302,Part of Protein,,,,,[K+],
,,,6OU:D:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:C:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:B:301,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,Family. Representative Entry is ,1YRE,,,,,,,
,,,COA:A:601,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:602,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:603,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:604,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,Family. Representative Entry is ,2X6M,,,,,,,
,,,GLY TYR GLN ASP TYR GLU PRO GLU ALA:B:135,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)C(N)CC(=O)[O-])Cc2ccc(O)cc2)CCC(=O)[O-])CCC1)CCC(=O)[O-])C,
,Family. Representative Entry is ,2NZU,,,,,,,
,,,BG6:G:1092,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O,
,,,SO4:G:1093,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:466,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:945,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:946,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:966,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:977,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:995,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:975,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:978,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2JHK,,,,,,,
,,,CA:F:1298,Part of Protein,,,,,[Ca+2],
,,,NAG:F:1299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,2JHI,,,,,,,
,,,A2G:F:1299,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O,
,,,CA:F:1298,Part of Protein,,,,,[Ca+2],
,,2JHL,,,,,,,
,,,CA:F:1298,Part of Protein,,,,,[Ca+2],
,,,SLB:F:1299,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,Family. Representative Entry is ,3CZ7,,,,,,,
,,,ACO:A:404,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,3RSC,,,,,,,
,,,C0T:A:398,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=CC#C[C@@]3(CC(=O)C(=C2/C3=CCSSSC)NC(=O)OC)O)O)O)NO,
,,,C0T:B:398,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2C#C/C=CC#C[C@@]3(CC(=O)C(=C2/C3=CCSSSC)NC(=O)OC)O)O)O)NO,
,,,PO4:A:399,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:399,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:400,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:401,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:402,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:B:403,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TYD:A:397,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,,,TYD:B:397,valid,,,,,CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O,
,Family. Representative Entry is ,1UAD,,,,,,,
,,,GNP:A:200,valid,Ka,=,7260000,M^-1,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GNP:B:1200,valid,Ka,=,7260000,M^-1,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:300,Part of Protein,,,,,[Mg+2],
,,,MG:B:300,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1II5,,,,,,,
,,,GLU:A:999,valid,Kd,=,240,nM,C(CC(=O)O)[C@@H](C(=O)O)N,
,,1IIT,,,,,,,
,,,SER:A:999,valid,,,,,C([C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,3R5Y,,,,,,,
,,,F42:A:147,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:B:147,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:C:147,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,,,F42:D:147,valid,,,,,C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O,
,Family. Representative Entry is ,5TEF,,,,,,,
,,,UNX:A:814,invalid,,,,,*,
,,,UNX:A:810,invalid,,,,,*,
,,,UNX:A:822,invalid,,,,,*,
,,,UNX:A:808,invalid,,,,,*,
,,,UNX:A:811,invalid,,,,,*,
,,,UNX:A:821,invalid,,,,,*,
,,,UNX:A:815,invalid,,,,,*,
,,,UNX:A:817,invalid,,,,,*,
,,,UNX:A:818,invalid,,,,,*,
,,,UNX:A:812,invalid,,,,,*,
,,,UNX:A:823,invalid,,,,,*,
,,,UNX:A:805,invalid,,,,,*,
,,,UNX:A:813,invalid,,,,,*,
,,,UNX:A:807,invalid,,,,,*,
,,,UNX:A:809,invalid,,,,,*,
,,,UNX:A:816,invalid,,,,,*,
,,,UNX:A:819,invalid,,,,,*,
,,,UNX:A:806,invalid,,,,,*,
,,,UNX:A:820,invalid,,,,,*,
,,,GTG:A:801,valid,Kd,=,4,uM,C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O,
,,,GOL:A:802,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:803,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:804,invalid,,,,,C(C(CO)O)O,
,,5H1M,,,,,,,
,,,M7G:A:801,valid,,,,,CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O,
,,5THA,,,,,,,
,,,UNX:A:802,invalid,,,,,*,
,,,UNX:A:814,invalid,,,,,*,
,,,UNX:A:810,invalid,,,,,*,
,,,UNX:A:808,invalid,,,,,*,
,,,UNX:A:803,invalid,,,,,*,
,,,UNX:A:811,invalid,,,,,*,
,,,UNX:A:821,invalid,,,,,*,
,,,UNX:A:815,invalid,,,,,*,
,,,UNX:A:817,invalid,,,,,*,
,,,UNX:A:818,invalid,,,,,*,
,,,UNX:A:812,invalid,,,,,*,
,,,UNX:A:805,invalid,,,,,*,
,,,UNX:A:804,invalid,,,,,*,
,,,UNX:A:813,invalid,,,,,*,
,,,UNX:A:807,invalid,,,,,*,
,,,UNX:A:809,invalid,,,,,*,
,,,UNX:A:816,invalid,,,,,*,
,,,UNX:A:819,invalid,,,,,*,
,,,UNX:A:806,invalid,,,,,*,
,,,UNX:A:820,invalid,,,,,*,
,,,UNX:A:801,invalid,,,,,*,
,,,GP3:A:822,valid,Kd,=,140,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5WFC,,,,,,,
,,,ZN:B:8005,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8007,Part of Protein,,,,,[Zn+2],
,,,A97:B:8009,valid,ic50,=,12.5,uM,CCCC1=C(C(=O)NC(=C1)C)CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccnc(c4)N5CCN(CC5)C,
,,,THR LYS ALA ALA ARG M3L SER ALA PRO ALA THR:D:24,Part of Protein,,,,,,
,,5M5G,,,,,,,
,,,ZN:B:8004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8007,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8005,Part of Protein,,,,,[Zn+2],
,,,SAH:B:8009,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,VAL MET LEU PRO GLY ARG GLY VAL PRO:E:21,valid,,,,,S(CCC(NC(=O)C([NH3+])C(C)C)C(=O)NC(C(=O)N1C(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(C(=O)N2C(C=O)CCC2)C(C)C)CCCNC(=[NH2+])N)CCC1)CC(C)C)C,
,,5KJH,,,,,,,
,,,ZN:B:8004,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8003,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8006,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8001,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8007,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8008,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8002,Part of Protein,,,,,[Zn+2],
,,,ZN:B:8005,Part of Protein,,,,,[Zn+2],
,,,SAH:B:8009,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6MRV,,,,,,,
,,,DAN:A:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,,DAN:B:601,valid,,,,,CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O,
,,6MYV,,,,,,,
,,,GC9:C:601,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O,
,,,GC9:D:601,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O,
,,,GC9:B:601,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O,
,,,GC9:A:601,valid,,,,,C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O,
,Family. Representative Entry is ,6SBC,,,,,,,
,,,CL:A:902,invalid,,,,,[Cl-],
,,,CL:A:903,invalid,,,,,[Cl-],
,,,CL:A:904,invalid,,,,,[Cl-],
,,,CL:A:905,invalid,,,,,[Cl-],
,,,NA:A:906,invalid,,,,,[Na+],
,,,NA:A:907,Part of Protein,,,,,[Na+],
,,,L4H:A:901,valid,,,,,CC(=CCC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)C,
,,6SBG,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,L4E:A:402,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C,
,,6SBD,,,,,,,
,,,L4B:A:406,valid,,,,,C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC[C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C)C)C,
,,,MPD:A:405,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6SBE,,,,,,,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,L4E:A:408,valid,,,,,CC(=CCC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,5IXB,,,,,,,
,,,ACT:A:202,invalid,,,,,CC(=O)[O-],
,,,ACT:B:202,invalid,,,,,CC(=O)[O-],
,,,LGA:A:201,valid,,,,,c1cnc(nc1)N,
,,,LGA:B:201,valid,,,,,c1cnc(nc1)N,
,Family. Representative Entry is ,4JNA,,,,,,,
,,,1KC DVA 060 DBU VAL:I:1,valid,,,,,S(CCCCC1OC(=O)C(C(C)C)NC(=O)C(CC)NC(=O)C(CSC)NC(=O)C(C(C)C)NC(=O)C1)C,
,,,1KC DVA 060 DBU VAL:H:1,valid,,,,,S(CCCCC1OC(=O)C(C(C)C)NC(=O)C(CC)NC(=O)C(CSC)NC(=O)C(C(C)C)NC(=O)C1)C,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,PO4:A:405,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4JN9,,,,,,,
,,,EDO:A:406,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:407,invalid,,,,,C(CO)O,
,,,EDO:B:403,invalid,,,,,C(CO)O,
,,,EDO:B:404,invalid,,,,,C(CO)O,
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,CL:B:402,invalid,,,,,[Cl-],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
,,,PO4:A:404,invalid,,,,,[O-]P(=O)([O-])[O-],
,,4NTE,,,,,,,
,,,CL:A:307,invalid,,,,,[Cl-],
,,,CL:B:306,invalid,,,,,[Cl-],
,,,CL:A:306,invalid,,,,,[Cl-],
,,,CL:A:305,invalid,,,,,[Cl-],
,,,CL:B:308,invalid,,,,,[Cl-],
,,,CL:B:307,invalid,,,,,[Cl-],
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,,NA:B:303,Part of Protein,,,,,[Na+],
,,,NA:B:302,Part of Protein,,,,,[Na+],
,,,NA:B:305,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,NA:A:302,Part of Protein,,,,,[Na+],
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3QMK,,,,,,,
,,,SGN IDS SGN IDS:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(O)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(O)OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3Q7G,,,,,,,
,,,GU4 YYJ:D:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,,GU4 YYJ:C:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,,GU4 YYJ:E:1,valid,,,,,S(=O)(=O)(OCC1(OC2C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O2)C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C(COS(=O)(=O)[O-])O1)[O-],
,,4RDA,,,,,,,
,,,ZN:A:506,Part of Protein,,,,,[Zn+2],
,,,IDS SGN IDS SGN UAP:C:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C=C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])COC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,,,IDS SGN IDS SGN IDS SGN:D:1,valid,,,,,S(=O)(=O)(OCC1C(OC2C(OS(=O)(=O)[O-])C(O)C(OC3C(NS(=O)(=O)[O-])C(O)CC(COS(=O)(=O)[O-])O3)C(C(=O)[O-])O2)C(O)C(NS(=O)(=O)[O-])C(OC2C(O)C(OS(=O)(=O)[O-])C(OC3C(O)C(NS(=O)(=O)[O-])C(OC4C(O)C(OS(=O)(=O)[O-])C(O)OC4C(=O)[O-])OC3COS(=O)(=O)[O-])OC2C(=O)[O-])O1)[O-],
,Family. Representative Entry is ,1B9I,,,,,,,
,,,PXG:A:389,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cccc(c2)C(=O)O)O,
,Family. Representative Entry is ,5T0B,,,,,,,
,,,NAG:E:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4XKF,,,,,,,
,,,NAG:E:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5BR6,,,,,,,
,,,NAG:C:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG FUC NAG BMA MAN MAN:H:1,invalid,,,,,,
,,,NAG FUC NAG BMA MAN MAN:F:1,invalid,,,,,,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,,NAG GAL SIA:E:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,4XKG,,,,,,,
,,,NAG:E:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SIA GAL:A:403,valid,,,,,,
,,4XKE,,,,,,,
,,,NAG:E:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG GAL SIA:G:1,valid,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C3)C(O)C(CO)O2)C(CO)OC1O)C,
,,5T0E,,,,,,,
,,,NAG:E:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:402,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:401,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL SIA:G:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OCC2C(O)C(O)C(O)CO2)(C(=O)[O-])CC1O)C,
,Family. Representative Entry is ,2R09,,,,,,,
,,,4IP:A:405,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:400,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,PE5:A:407,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCOCCO,
,,,PGE:A:406,invalid,,,,,C(COCCOCCO)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:400,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6LRA,,,,,,,
,,,VAL GLN ILE ILE ASN LYS:C:1,valid,Kd,=,0.41,uM,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C=O)CCCC[NH3+])CC(=O)N)C(CC)C)C(CC)C)CCC(=O)N)C([NH3+])C(C)C,
,Family. Representative Entry is ,2GVC,,,,,,,
,,,FAD:A:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:D:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:E:500,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,GOL:A:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:E:502,invalid,,,,,C(C(CO)O)O,
,,,MMZ:A:501,valid,,,,,CN1C=CNC1=S,
,,,MMZ:B:501,valid,,,,,CN1C=CNC1=S,
,,,MMZ:D:501,valid,,,,,CN1C=CNC1=S,
,,,MMZ:E:501,valid,,,,,CN1C=CNC1=S,
,,,PEO:A:503,invalid,,,,,OO,
,,,PEO:B:503,invalid,,,,,OO,
,,,PEO:D:503,invalid,,,,,OO,
,,,PEO:E:503,invalid,,,,,OO,
,Family. Representative Entry is ,5F7V,,,,,,,
,,,GLC GLC GLC GLC:B:1,valid,Kd,~,2,uM,OCC1OC2C(O)C(O)C1OC1C(O)C(O)C(O)C(O1)COC1C(O)C(O)C(C(CO)O1)OC1C(O)C(O)C(O)C(O1)CO2,
,Family. Representative Entry is ,4ZH7,,,,,,,
,,,GAL NAG GAL FUC FUC:B:1,valid,Kd,=,227,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(O)C(C)O2)C(CO)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,3IVV,,,,,,,
,,,ASP GLU VAL THR SER THR THR SER SER SER:D:96,valid,Kd,=,3.7,uM,,
,,6I7A,,,,,,,
,,,LYS ALA ASP THR THR THR PRO THR THR:B:245,valid,Kd,=,55,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:H:245,valid,Kd,=,55,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:D:245,valid,Kd,=,55,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:F:245,valid,Kd,=,55,uM,,
,,6I68,,,,,,,
,,,LYS ALA ASP THR THR THR PRO THR THR:B:245,valid,Kd,=,13,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:H:245,valid,Kd,=,13,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:D:245,valid,Kd,=,13,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:F:245,valid,Kd,=,13,uM,,
,,6I41,,,,,,,
,,,LYS ALA ASP THR THR THR PRO THR THR:B:245,valid,Kd,=,61,uM,,
,,6I5P,,,,,,,
,,,LYS ALA ASP THR THR THR PRO THR THR:B:245,valid,Kd,=,48,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:H:245,valid,Kd,=,48,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:D:245,valid,Kd,=,48,uM,,
,,,LYS ALA ASP THR THR THR PRO THR THR:F:245,valid,Kd,=,48,uM,,
,Family. Representative Entry is ,4OJP,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,GLC GLC:F:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:D:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,,GLC GLC:E:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,,4OJO,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,GLC GAL:D:1,valid,,,,,,
,,,GLC GAL:E:1,valid,,,,,,
,,,GLC GAL:F:1,valid,,,,,,
,,4OJL,,,,,,,
,,,ZN:A:802,Part of Protein,,,,,[Zn+2],
,,,BGC:B:800,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:801,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:C:800,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:800,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,Family. Representative Entry is ,4OK9,,,,,,,
,,,MG:B:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:A:203,Part of Protein,,,,,[Mg+2],
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,HIS:B:204,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:204,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,4OKQ,,,,,,,
,,,HIS:B:202,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,HIS:A:202,valid,,,,,c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N,
,,,MG:B:201,Part of Protein,,,,,[Mg+2],
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3EPO,,,,,,,
,,,MP5:A:1001,valid,,,,,Cc1ncc(c(n1)N)COP(=O)(O)O,
,,,MP5:B:1002,valid,,,,,Cc1ncc(c(n1)N)COP(=O)(O)O,
,,3EPN,,,,,,,
,,,IRN:A:1001,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,IRN:A:1002,valid,,,,,c1cn(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,4P6A,,,,,,,
,,,MAN MAN MAN:C:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,MAN MAN MAN:D:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,4DEN,,,,,,,
,,,K:A:204,Part of Protein,,,,,[K+],
,,,K:A:205,Part of Protein,,,,,[K+],
,,,K:A:206,Part of Protein,,,,,[K+],
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:B:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,Family. Representative Entry is ,3O5N,,,,,,,
,,,BR0:E:1,valid,Ki,=,17.2,uM,c1cc(c2c(c1C(=O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N+](=O)[O-],
,Family. Representative Entry is ,2X0K,,,,,,,
,,,PPV:A:1340,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:B:2340,valid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,SO4:A:1339,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2339,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4R0M,,,,,,,
,,,FA5:B:701,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,,,FA5:A:701,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N,
,Family. Representative Entry is ,6E8I,,,,,,,
,,,PTR:A:201,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,Family. Representative Entry is ,4ZTE,,,,,,,
,,,CA:B:402,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,4RL:A:404,valid,,,,,CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2,
,,,4RL:B:404,valid,,,,,CC[C@H](C)[C@@H](C(=O)NC(C)(C)C)NC(=O)C[C@H]1C(=O)N([C@H](C(=O)N1)CNC(=O)[C@H](CC(=O)O)N)Cc2ccccc2,
,Family. Representative Entry is ,5UFC,,,,,,,
,,,NAG GAL FUC:E:1,valid,Kd,=,6.9,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:D:1,valid,Kd,=,6.9,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NAG GAL FUC:F:1,valid,Kd,=,6.9,uM,O=C(NC1C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,Family. Representative Entry is ,1UTC,,,,,,,
,,,THR LEU PRO TRP ASP LEU TRP THR THR:P:1,valid,Kd,=,28,uM,,
,,,THR LEU PRO TRP ASP LEU TRP THR THR:Q:1,valid,Kd,=,28,uM,,
,,5M5S,,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE ASP PRO:F:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE ASP PRO:H:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE ASP PRO:E:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE ASP PRO:G:1,valid,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:401,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,5M5R,,,,,,,
,,,CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY:C:2,valid,,,,,,
,,,CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY:D:2,valid,,,,,,
,,5M5T,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:F:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:E:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:G:3,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:J:1,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:H:3,valid,,,,,,
,,,GLU THR LEU LEU ASP LEU ASP PHE LEU GLU:I:1,valid,,,,,,
,,5M5V,,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:I:4,valid,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:H:2,valid,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:J:4,valid,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:G:2,valid,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:F:4,valid,,,,,,
,,,SER PRO ARG LEU PRO LEU LEU GLU SER:E:4,valid,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6E4L,,,,,,,
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:408,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,HRS:A:409,valid,,,,,c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O,
,,2XZG,,,,,,,
,,,ACT:A:1361,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1360,invalid,,,,,C(C(CO)O)O,
,,,PEG:A:1358,invalid,,,,,C(COCCO)O,
,,,PEG:A:1359,invalid,,,,,C(COCCO)O,
,,,VH1:A:1362,valid,,,,,c1cc2cc(cc3c2c(c1)C(=O)N(C3=O)Cc4ccc(cc4)N)S(=O)(=O)O,
,,4G55,,,,,,,
,,,ACT:A:404,invalid,,,,,CC(=O)[O-],
,,,ACT:A:405,invalid,,,,,CC(=O)[O-],
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,,,ACT:A:407,invalid,,,,,CC(=O)[O-],
,,,ACT:A:417,invalid,,,,,CC(=O)[O-],
,,,DMS:A:401,invalid,,,,,CS(=O)C,
,,,DMS:A:402,invalid,,,,,CS(=O)C,
,,,DMS:A:403,invalid,,,,,CS(=O)C,
,,,DMS:A:415,invalid,,,,,CS(=O)C,
,,,EDO:A:408,invalid,,,,,C(CO)O,
,,,EDO:A:409,invalid,,,,,C(CO)O,
,,,EDO:A:412,invalid,,,,,C(CO)O,
,,,EDO:A:413,invalid,,,,,C(CO)O,
,,,EDO:A:414,invalid,,,,,C(CO)O,
,,,EDO:A:416,invalid,,,,,C(CO)O,
,,,PEG:A:410,invalid,,,,,C(COCCO)O,
,,,PEG:A:411,invalid,,,,,C(COCCO)O,
,,,VH2:A:418,valid,,,,,c1ccc2c(c1)cccc2S(=O)(=O)Nc3nc(c(s3)Cc4ccc(cc4)Br)O,
,,5M5U,,,,,,,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,,SER ASP ILE LEU PHE PRO ALA ASP SER:H:2,valid,,,,,,
,,,SER ASP ILE LEU PHE PRO ALA ASP SER:E:1,valid,,,,,,
,,,SER ASP ILE LEU PHE PRO ALA ASP SER:G:2,valid,,,,,,
,,,SER ASP ILE LEU PHE PRO ALA ASP SER:F:1,valid,,,,,,
,Family. Representative Entry is ,6BR9,,,,,,,
,,,6OU:A:402,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:405,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,6OU:A:403,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC,
,,,PGV:A:404,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCC=C/CCCCCC,
,Family. Representative Entry is ,6TR4,,,,,,,
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,CA:A:608,Part of Protein,,,,,[Ca+2],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:B:704,Part of Protein,,,,,[Ca+2],
,,,CA:B:705,Part of Protein,,,,,[Ca+2],
,,,CA:B:706,Part of Protein,,,,,[Ca+2],
,,,CL:A:610,invalid,,,,,[Cl-],
,,,CL:B:707,invalid,,,,,[Cl-],
,,,CL:A:609,invalid,,,,,[Cl-],
,,,CL:B:708,invalid,,,,,[Cl-],
,,,MG:B:702,Part of Protein,,,,,[Mg+2],
,,,MG:B:703,Part of Protein,,,,,[Mg+2],
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:604,invalid,,,,,[Mg+2],
,,,FUC:A:602,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUC:B:701,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O,
,,,FUL:A:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,,6TR3,,,,,,,
,,,MG:A:603,Part of Protein,,,,,[Mg+2],
,,,MG:A:605,Part of Protein,,,,,[Mg+2],
,,,MG:A:602,invalid,,,,,[Mg+2],
,,,MG:A:604,Part of Protein,,,,,[Mg+2],
,,,CA:A:607,Part of Protein,,,,,[Ca+2],
,,,CA:A:606,Part of Protein,,,,,[Ca+2],
,,,FUL:A:601,valid,,,,,C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O,
,Family. Representative Entry is ,3H9A,,,,,,,
,,,CO:A:244,Part of Protein,,,,,[Co+2],
,,,CO:A:245,Part of Protein,,,,,[Co+2],
,,,CO:B:244,Part of Protein,,,,,[Co+2],
,,,CO:B:245,Part of Protein,,,,,[Co+2],
,,,FE:A:247,Part of Protein,,,,,[Fe+3],
,,,PPY:A:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,,,PPY:B:246,valid,,,,,c1ccc(cc1)CC(=O)C(=O)O,
,Family. Representative Entry is ,6UBZ,,,,,,,
,,,GLY:A:902,valid,,,,,C(C(=O)O)N,
,,,GLY:D:902,valid,,,,,C(C(=O)O)N,
,,,GLY:B:902,valid,,,,,C(C(=O)O)N,
,,,GLY:C:902,valid,,,,,C(C(=O)O)N,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,6UBR,,,,,,,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,GLY:D:902,valid,,,,,C(C(=O)O)N,
,,,GLY:A:904,valid,,,,,C(C(=O)O)N,
,,,GLY:C:902,valid,,,,,C(C(=O)O)N,
,,,GLY:A:903,valid,,,,,C(C(=O)O)N,
,,,PEG:A:902,invalid,,,,,C(COCCO)O,
,,,SO4:C:903,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:902,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6W9R,,,,,,,
,,,FLC:W:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:T:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:X:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:M:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:R:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:N:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:P:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:O:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:Q:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:U:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:S:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,FLC:V:101,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,Family. Representative Entry is ,6N85,,,,,,,
,,,GLC GLC:A:1,valid,,,,,OCC1C(O)C(O)C(O)C(O)O1.OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,3LKJ,,,,,,,
,,,LKJ:C:1,valid,ic50,=,25,uM,c1ccc(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CCC[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(=O)O,
,,,NAG:A:2,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:2,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:3,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,6RQK,,,,,,,
,,,MVL:B:501,valid,Kd,=,1.6,mM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:A:502,valid,Kd,=,1.6,mM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:A:501,valid,Kd,=,1.6,mM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,,MVL:B:502,valid,Kd,=,1.6,mM,c1cn2c(n1)[C@H]([C@H]([C@@H]([C@H]2CO)O)O)O,
,,5M7Y,,,,,,,
,,,MG:A:505,invalid,,,,,[Mg+2],
,,,MG:A:504,Part of Protein,,,,,[Mg+2],
,,,MAN MAN MAN:B:1,valid,,,,,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,3QT9,,,,,,,
,,,EDO:A:506,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,EDO:A:505,invalid,,,,,C(CO)O,
,,,EDO:A:501,invalid,,,,,C(CO)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,Z4Y MAN:B:1,valid,,,,,,
,,5M7I,,,,,,,
,,,BMA MAN:B:1,valid,,,,,,
,Family. Representative Entry is ,5K2M,,,,,,,
,,,SO4:H:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,MG:G:303,Part of Protein,,,,,[Mg+2],
,,,MG:A:304,Part of Protein,,,,,[Mg+2],
,,,MG:H:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:J:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:J:304,Part of Protein,,,,,[Mg+2],
,,,MG:H:303,Part of Protein,,,,,[Mg+2],
,,,PO4:B:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:I:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:G:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:J:302,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,ZN:E:102,Part of Protein,,,,,[Zn+2],
,,,ZN:F:102,Part of Protein,,,,,[Zn+2],
,,,UN1:E:101,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:K:101,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:F:101,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:I:303,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:L:101,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,UN1:N:101,invalid,,,,,C(C[C@@H](C(=O)O)N)CC(=O)O,
,,,ADP:H:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:G:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:I:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:J:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6JUE,,,,,,,
,,,SO4:L:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:L:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,LEU GLU GLU ASP GLY THR ILE ILE THR LEU:A:86,valid,Kd,=,1.1,uM,,
,Family. Representative Entry is ,6EZI,,,,,,,
,,,ILE LYS LEU GLU THR LYS LYS THR LYS LEU:B:722,valid,,,,,,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6DN7,,,,,,,
,,,CL:C:301,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,TRP ASP ILE ASN ASN ASN BAL:B:1,valid,,,,,O=C([O-])CC1C(=O)NC(C(CC)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCCC(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)N1,
,,,TRP ASP ILE ASN ASN ASN BAL:D:1,valid,,,,,O=C([O-])CC1C(=O)NC(C(CC)C)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCCC(=O)NC(Cc2c3c([nH]c2)cccc3)C(=O)N1,
,,6DN8,,,,,,,
,,,GZJ VAL ASP ILE ASN ASN ASN CY3:B:1,valid,,,,,,
,,,GZJ VAL ASP ILE ASN ASN ASN CY3:D:1,valid,,,,,,
,,,GZJ VAL ASP ILE ASN ASN ASN CY3:F:2,valid,,,,,,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ACT:A:301,invalid,,,,,CC(=O)[O-],
,,,ACT:C:301,invalid,,,,,CC(=O)[O-],
,,,ACT:E:301,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,1T57,,,,,,,
,,,FMN:A:200,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:201,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:202,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:303,Part of Protein,,,,,[Mg+2],
,,,MG:C:304,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3IO3,,,,,,,
,,,ADP:A:590,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,GOL:A:351,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:352,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:968,invalid,,,,,C(C(CO)O)O,
,,,MG:A:350,invalid,,,,,[Mg+2],
,,,NA:A:353,invalid,,,,,[Na+],
,,,ZN:A:349,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6G47,,,,,,,
,,,MPD:C:404,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:401,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:B:402,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,TRS:C:403,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,SIA:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O,
,,,SIA SIA:D:1,valid,,,,,O=C(NC1C(C(O)C(O)CO)OC(OC(C(O)C2C(NC(=O)C)C(O)CC(O)(C(=O)[O-])O2)CO)(C(=O)[O-])CC1O)C,
,,4XL8,,,,,,,
,,,MPD:C:402,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MNA:A:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,MNA:C:401,valid,,,,,CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC)O,
,,,MRD:C:403,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,TAM:B:401,invalid,,,,,C(CO)C(CCO)(CCO)N,
,Family. Representative Entry is ,1ZCB,,,,,,,
,,,GDP:A:378,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4LI4,,,,,,,
,,,AMP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,4LM7,,,,,,,
,,,U5P:A:201,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,Family. Representative Entry is ,6YUD,,,,,,,
,,,A   A   A   A  :M:1,valid,,,,,,
,,,A   A   A   A  :P:1,valid,,,,,,
,,,A   A   A   A  :O:1,valid,,,,,,
,,,A   A   A   A  :Q:1,valid,,,,,,
,,,A   A   A   A  :K:1,valid,,,,,,
,Family. Representative Entry is ,5Y0T,,,,,,,
,,,EDO:D:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1003,invalid,,,,,C(CO)O,
,,,EDO:B:1004,invalid,,,,,C(CO)O,
,,,EDO:A:1004,invalid,,,,,C(CO)O,
,,,EDO:C:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1003,invalid,,,,,C(CO)O,
,,,EDO:A:1002,invalid,,,,,C(CO)O,
,,,EDO:C:1002,invalid,,,,,C(CO)O,
,,,EDO:B:1002,invalid,,,,,C(CO)O,
,,,TAT:B:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:A:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:C:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,TAT:D:1001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(OP(=O)(O)OP(=O)(O)O)S)O)O)N,
,,,1PE:D:1003,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5AHW,,,,,,,
,,,POG:F:1151,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O,
,,,POG:D:1151,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O,
,,,POG:C:1149,invalid,,,,,C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O,
,,,SO4:D:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1149,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CMP:C:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:D:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:E:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:F:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:B:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CMP:A:1148,valid,Kd,=,0.000000064,M,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N,
,,,CL:A:1151,invalid,,,,,[Cl-],
,,,CL:B:1150,invalid,,,,,[Cl-],
,Family. Representative Entry is ,3HGM,,,,,,,
,,,ATP:A:148,valid,Kd,=,0.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:148,valid,Kd,=,0.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:148,valid,Kd,=,0.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:148,valid,Kd,=,0.8,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:149,invalid,,,,,[Mg+2],
,,,MG:B:149,invalid,,,,,[Mg+2],
,,,MG:C:149,invalid,,,,,[Mg+2],
,,,MG:D:149,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,4TWL,,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ASC:B:304,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,,,ASC:A:303,valid,,,,,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O,
,Family. Representative Entry is ,5O4J,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,PE4:C:304,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:304,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:A:303,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,9KH:B:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:C:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,SO4:C:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,PJL:A:304,valid,,,,,C(/C=N/C(=O)/C=C/O)C(=O)O,
,,,LI:A:305,Part of Protein,,,,,[Li+],
,,,LI:D:303,Part of Protein,,,,,[Li+],
,,5O4N,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,9KH:D:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:A:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:B:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:C:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,DMS:C:304,invalid,,,,,CS(=O)C,
,,,DMS:C:305,invalid,,,,,CS(=O)C,
,,,DMS:B:304,invalid,,,,,CS(=O)C,
,,,DMS:C:306,invalid,,,,,CS(=O)C,
,,,MPD:A:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5O4M,,,,,,,
,,,9KH:D:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:A:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:B:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,9KH:C:302,valid,,,,,Cc1c(cc(nc1CC(=O)O)O)O,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,DMS:D:304,invalid,,,,,CS(=O)C,
,,,DMS:A:304,invalid,,,,,CS(=O)C,
,,,DMS:A:305,invalid,,,,,CS(=O)C,
,,,MPD:A:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:304,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:D:303,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,5O4H,,,,,,,
,,,SAH:C:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:D:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,NA:D:302,Part of Protein,,,,,[Na+],
,,,ACT:A:304,invalid,,,,,CC(=O)[O-],
,,,ACT:A:305,invalid,,,,,CC(=O)[O-],
,,,ACT:C:302,invalid,,,,,CC(=O)[O-],
,,,ACT:D:304,invalid,,,,,CC(=O)[O-],
,,,ACT:B:304,invalid,,,,,CC(=O)[O-],
,,,PE4:A:306,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:305,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:C:303,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,PE4:B:306,invalid,,,,,CCOCCOCCOCCOCCOCCOCCOCCO,
,,,SO4:D:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4YLG,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,4Y0V,,,,,,,
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3CPJ,,,,,,,
,,,CL:G:2001,invalid,,,,,[Cl-],
,,,CL:G:2002,invalid,,,,,[Cl-],
,,,GDP:B:1207,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:B:1208,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6UAW,,,,,,,
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BGC BGC BGC:B:1,valid,,,,,O(C1C(O)C(O)OC(CO)C1O)C1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1,
,Family. Representative Entry is ,6YQQ,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,CL:A:402,invalid,,,,,[Cl-],
,,,PRP:A:403,valid,Kd,=,4,uM,C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O,
,Family. Representative Entry is ,6OJA,,,,,,,
,,,MET:A:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,,MET:B:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,,MET:E:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,,MET:F:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,,MET:C:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,,MET:D:1001,valid,Kd,=,0.2,nM,CSCC[C@@H](C(=O)O)N,
,,6DZX,,,,,,,
,,,MED:C:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,,MED:B:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,,MED:F:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,,MED:E:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,,MED:A:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,,MED:D:1001,valid,Kd,=,3.5,uM,CSCC[C@H](C(=O)O)N,
,,3IR1,,,,,,,
,,,MET:A:600,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:B:500,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:C:400,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,SO4:A:15,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:16,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:18,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:19,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:3,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:13,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:20,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:22,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:11,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:12,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:21,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:17,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:4,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:6,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:7,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4BPS,,,,,,,
,,,3EB:A:1345,valid,Ki,=,1.02,mM,c1cc(cc(c1)C(=O)O)CCC(=O)O,
,Family. Representative Entry is ,2WR9,,,,,,,
,,,CA:C:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:B:203,Part of Protein,,,,,[Ca+2],
,,,CA:B:204,Part of Protein,,,,,[Ca+2],
,,,CA:B:205,Part of Protein,,,,,[Ca+2],
,,,CA:D:204,Part of Protein,,,,,[Ca+2],
,,,CA:D:203,Part of Protein,,,,,[Ca+2],
,,,CA:C:202,Part of Protein,,,,,[Ca+2],
,,,MAN:C:201,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN MAN:F:1,valid,Kd,=,2.6,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,Kd,=,2.6,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,SO4:B:208,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:209,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:207,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:206,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:205,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2VNV,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,CA:B:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:302,Part of Protein,,,,,[Ca+2],
,,,CA:C:301,Part of Protein,,,,,[Ca+2],
,,,CA:C:302,Part of Protein,,,,,[Ca+2],
,,,CA:D:301,Part of Protein,,,,,[Ca+2],
,,,CA:D:302,Part of Protein,,,,,[Ca+2],
,,,CA:E:301,Part of Protein,,,,,[Ca+2],
,,,CA:E:302,Part of Protein,,,,,[Ca+2],
,,,MMA:A:201,valid,Kd,=,2.75,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:B:201,valid,Kd,=,2.75,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:C:201,valid,Kd,=,2.75,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:D:201,valid,Kd,=,2.75,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,MMA:E:201,valid,Kd,=,2.75,uM,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,SO4:A:1129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:D:1129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1129,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WRA,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:A:302,Part of Protein,,,,,[Ca+2],
,,,MAN MAN MAN:B:1,valid,Kd,=,26.9,uM,O(CC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)O1)C1C(O)C(O)C(O)C([C-2]O)O1,
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4XT0,,,,,,,
,,,GSH:A:301,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,TRS:A:302,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,1PE:A:303,invalid,,,,,C(COCCOCCOCCOCCO)O,
,Family. Representative Entry is ,5DNU,,,,,,,
,,,FMT:A:302,invalid,,,,,C(=O)O,
,,,FMT:A:309,invalid,,,,,C(=O)O,
,,,FMT:A:305,invalid,,,,,C(=O)O,
,,,FMT:A:307,invalid,,,,,C(=O)O,
,,,FMT:A:306,invalid,,,,,C(=O)O,
,,,FMT:A:310,invalid,,,,,C(=O)O,
,,,FMT:A:308,invalid,,,,,C(=O)O,
,,,FMT:A:304,invalid,,,,,C(=O)O,
,,,FMT:A:303,invalid,,,,,C(=O)O,
,,,EDO:A:316,invalid,,,,,C(CO)O,
,,,EDO:A:315,invalid,,,,,C(CO)O,
,,,EDO:A:317,invalid,,,,,C(CO)O,
,,,EDO:A:318,invalid,,,,,C(CO)O,
,,,EDO:A:314,invalid,,,,,C(CO)O,
,,,BEZ:A:319,invalid,,,,,c1ccc(cc1)C(=O)O,
,,,NA:A:311,Part of Protein,,,,,[Na+],
,,,NA:A:313,Part of Protein,,,,,[Na+],
,,,NA:A:312,Part of Protein,,,,,[Na+],
,,,KKN:A:301,valid,Kd,=,77.6,uM,CC1=C2C=COC=C2OC1=O,
,Family. Representative Entry is ,3EBB,,,,,,,
,,,MG:B:1,Part of Protein,,,,,[Mg+2],
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:E:804,valid,Kd,=,5,uM,,
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:F:803,valid,Kd,=,5,uM,,
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:G:804,valid,Kd,=,5,uM,,
,,,THR GLU ASP ASN ASP ASP ASP LEU TYR GLY:H:803,valid,Kd,=,5,uM,,
,Family. Representative Entry is ,5EB4,,,,,,,
,,,NAG:A:605,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:603,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:604,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:601,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:606,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:607,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:609,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:608,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,FAD:B:610,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:A:608,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,7C04,,,,,,,
,,,FEU:A:301,valid,ic50,=,1.983,uM,COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(F)(F)F,
,,5F5R,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2J9L,,,,,,,
,,,ATP:A:1752,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:1754,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:1755,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:1753,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:1752,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:1750,valid,Kd,=,90,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1753,invalid,,,,,[Cl-],
,,,CL:B:3001,invalid,,,,,[Cl-],
,,,CL:B:3002,invalid,,,,,[Cl-],
,,,CL:C:1756,invalid,,,,,[Cl-],
,,,CL:D:1754,invalid,,,,,[Cl-],
,,,CL:D:1755,invalid,,,,,[Cl-],
,,,CL:D:3001,invalid,,,,,[Cl-],
,,,CL:E:1753,invalid,,,,,[Cl-],
,,,CL:F:1751,invalid,,,,,[Cl-],
,,,CL:F:3001,invalid,,,,,[Cl-],
,Family. Representative Entry is ,4LX0,,,,,,,
,,,BEF GDP:C:202,valid,,,,,,
,,,BEF GDP:A:202,valid,,,,,,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,,MG:C:201,Part of Protein,,,,,[Mg+2],
,,,GOL:A:204,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4EHQ,,,,,,,
,,,CA:A:201,Part of Protein,,,,,[Ca+2],
,,,CA:A:202,Part of Protein,,,,,[Ca+2],
,,,CA:A:203,Part of Protein,,,,,[Ca+2],
,,,CA:A:204,Part of Protein,,,,,[Ca+2],
,,,GBL:A:205,valid,,,,,C1CC(=O)OC1,
,,,GBL:A:206,valid,,,,,C1CC(=O)OC1,
,,,GBL:A:207,valid,,,,,C1CC(=O)OC1,
,,,GBL:G:101,valid,,,,,C1CC(=O)OC1,
,Family. Representative Entry is ,3ZQE,,,,,,,
,,,DXC:B:1079,valid,Kd,=,59,uM,C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,,,GOL:A:1337,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1338,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,3HP8,,,,,,,
,,,DTT:A:110,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,DTT:B:110,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,,GLC FRU:C:1,valid,Kd,=,7.3,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,valid,Kd,=,7.3,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,Kd,=,7.3,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,Kd,=,7.3,mM,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,3CH8,,,,,,,
,,,MG:A:401,invalid,,,,,[Mg+2],
,,,PRO GLN PRO VAL ASP SER TRP VAL:P:6,valid,Kd,=,56,nM,,
,,2QBW,,,,,,,
,,,PRO GLN PRO VAL ASP SER TRP VAL:B:6,valid,Kd,=,56,nM,,
,Family. Representative Entry is ,5UL4,,,,,,,
,,,EDO:A:817,invalid,,,,,C(CO)O,
,,,EDO:A:819,invalid,,,,,C(CO)O,
,,,EDO:A:812,invalid,,,,,C(CO)O,
,,,EDO:A:807,invalid,,,,,C(CO)O,
,,,EDO:A:815,invalid,,,,,C(CO)O,
,,,EDO:A:818,invalid,,,,,C(CO)O,
,,,EDO:A:811,invalid,,,,,C(CO)O,
,,,EDO:A:813,invalid,,,,,C(CO)O,
,,,EDO:A:810,invalid,,,,,C(CO)O,
,,,EDO:A:809,invalid,,,,,C(CO)O,
,,,EDO:A:805,invalid,,,,,C(CO)O,
,,,EDO:A:814,invalid,,,,,C(CO)O,
,,,EDO:A:808,invalid,,,,,C(CO)O,
,,,EDO:A:806,invalid,,,,,C(CO)O,
,,,EDO:A:816,invalid,,,,,C(CO)O,
,,,SAM:A:803,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MES:A:804,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SF4:A:801,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,B12:A:802,Part of Protein,,,,,Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O,
,Family. Representative Entry is ,2RDK,,,,,,,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,2PYS,,,,,,,
,,,MAN MAN:C:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,,,,,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,Family. Representative Entry is ,2FIB,,,,,,,
,,,CA:A:412,Part of Protein,,,,,[Ca+2],
,,,GLY PRO ARG PRO:B:2,valid,,,,,O=C(C(NC(=O)C1N(C(=O)C[NH3+])CCC1)CCCNC(=[NH2+])N)N1C(C=O)CCC1,
,Family. Representative Entry is ,6RK0,,,,,,,
,,,HEM:B:405,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,HEM:A:301,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,FAD:B:404,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:403,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5A99,,,,,,,
,,,MG:A:1251,invalid,,,,,[Mg+2],
,,,ATP:A:1250,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4IGQ,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,OGA:A:502,valid,,,,,C(C(=O)O)NC(=O)C(=O)O,
,,,THR M3L GLN:B:3,valid,,,,,,
,,4IGO,,,,,,,
,,,FE:A:1000,Part of Protein,,,,,[Fe+3],
,,,AKG:A:1001,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,Family. Representative Entry is ,3RHC,,,,,,,
,,,FES:A:115,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,GSH:A:114,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,,,GSH:B:114,valid,,,,,C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N,
,Family. Representative Entry is ,2F2L,,,,,,,
,,,CIT:X:301,invalid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,HSQ:A:999,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@H]1O)CO)O)O,
,,,MLD:X:201,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,NAG:A:998,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:1000,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:X:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2MPR,,,,,,,
,,,BGC GLC GLC:F:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:E:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,BGC GLC GLC:D:1,valid,,,,,O(CC1C(O)C(O)C(O)C(OC2C(O)C(O)C(O)OC2CO)O1)C1C(O)C(O)C(O)C(CO)O1,
,,,CA:A:431,Part of Protein,,,,,[Ca+2],
,Family. Representative Entry is ,5CZY,,,,,,,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,SAM:A:603,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,3PAK,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,MAN:A:500,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,5FFR,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,PC:A:302,valid,,,,,C[N+](C)(C)CCOP(=O)(O)O,
,,,NA:A:303,Part of Protein,,,,,[Na+],
,,3PAQ,,,,,,,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,MMA:A:501,valid,,,,,CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,NA:A:301,Part of Protein,,,,,[Na+],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6UEX,,,,,,,
,,,SO4:A:405,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:407,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:404,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:408,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:406,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,Q5S:A:401,valid,,,,,CC(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCC/C(=CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)C,
,,,GOL:A:410,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:409,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,2GTF,,,,,,,
,,,HEM:X:201,Part of Protein,,,,,Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O,
,,,P1R:X:202,valid,,,,,c1cncnc1,
,Family. Representative Entry is ,6JO2,,,,,,,
,,,BAM:A:102,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,BAM:A:101,valid,,,,,c1ccc(cc1)C(=[NH2+])N,
,,,FES:A:103,Part of Protein,,,,,S1[Fe]S[Fe]1,
,,,SO4:A:104,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5C0M,,,,,,,
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,UNX:A:303,invalid,,,,,*,
,,,UNX:B:304,invalid,,,,,*,
,,,UNX:B:303,invalid,,,,,*,
,,,UNX:A:305,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,UNX:B:305,invalid,,,,,*,
,,,UNX:A:304,invalid,,,,,*,
,,,ALA ARG THR 4WQ GLN THR ALA ARG LYS SER:C:1,valid,Kd,=,1.4,uM,,
,,,ALA ARG THR 4WQ GLN THR ALA ARG LYS SER:D:1,valid,Kd,=,1.4,uM,,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,3MEV,,,,,,,
,,,ALA ALA THR M3L GLN THR ALA ARG:C:1,valid,,,,,,
,,,ALA ALA THR M3L GLN THR ALA ARG:D:1,valid,,,,,,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,5DO8,,,,,,,
,,,BTB:A:603,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:B:603,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BTB:C:604,invalid,,,,,C(CO)N(CCO)C(CO)(CO)CO,
,,,BGC:C:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:A:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,BGC:B:601,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:C:603,invalid,,,,,[Cl-],
,,,CL:C:602,invalid,,,,,[Cl-],
,Family. Representative Entry is ,6I96,,,,,,,
,,,BNG:A:912,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:904,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:913,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:905,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:903,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:902,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:909,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:907,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:914,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:906,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:910,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:908,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,BNG:A:911,invalid,,,,,CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O,
,,,GOL:A:919,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:916,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:920,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:918,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:921,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:917,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:922,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:915,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:923,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:926,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:925,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:924,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,NA:A:927,Part of Protein,,,,,[Na+],
,,,NA:A:928,invalid,,,,,[Na+],
,,,0UE:A:901,valid,Kd,=,100,nM,CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN,
,Family. Representative Entry is ,5CS2,,,,,,,
,,,54C WLU ALA WPA VAL MLE WVL:B:1,valid,ic50,=,0.004,uM,,
,,,CL:A:1000,invalid,,,,,[Cl-],
,Family. Representative Entry is ,1R0X,,,,,,,
,,,ACY:A:10,invalid,,,,,CC(=O)O,
,,,ACY:A:5,invalid,,,,,CC(=O)O,
,,,ACY:B:6,invalid,,,,,CC(=O)O,
,,,ACY:C:7,invalid,,,,,CC(=O)O,
,,,ACY:D:8,invalid,,,,,CC(=O)O,
,,,ACY:D:9,invalid,,,,,CC(=O)O,
,,,ATP:A:1,valid,Kd,=,149,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:2,valid,Kd,=,149,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:3,valid,Kd,=,149,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:4,valid,Kd,=,149,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:13,Part of Protein,,,,,[Mg+2],
,,,MG:B:11,Part of Protein,,,,,[Mg+2],
,,,MG:C:12,Part of Protein,,,,,[Mg+2],
,,,MG:D:14,Part of Protein,,,,,[Mg+2],
,,1R0Z,,,,,,,
,,,ACY:A:676,invalid,,,,,CC(=O)O,
,,,ACY:B:676,invalid,,,,,CC(=O)O,
,,,ACY:C:676,invalid,,,,,CC(=O)O,
,,,ACY:D:676,invalid,,,,,CC(=O)O,
,,,ATP:A:675,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:675,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:675,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:675,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:674,Part of Protein,,,,,[Mg+2],
,,,MG:B:674,Part of Protein,,,,,[Mg+2],
,,,MG:C:674,Part of Protein,,,,,[Mg+2],
,,,MG:D:674,Part of Protein,,,,,[Mg+2],
,,1Q3H,,,,,,,
,,,ACY:A:301,invalid,,,,,CC(=O)O,
,,,ACY:B:302,invalid,,,,,CC(=O)O,
,,,ACY:C:303,invalid,,,,,CC(=O)O,
,,,ACY:D:304,invalid,,,,,CC(=O)O,
,,,ANP:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:202,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:203,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:D:204,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:674,Part of Protein,,,,,[Mg+2],
,,,MG:B:674,Part of Protein,,,,,[Mg+2],
,,,MG:C:674,Part of Protein,,,,,[Mg+2],
,,,MG:D:674,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,2HNU,,,,,,,
,,,PHE TYR:A:1,valid,,,,,,
,,,PHE TYR:B:1,valid,,,,,,
,,,PHE TYR:C:1,valid,,,,,,
,,,PHE TYR:D:1,valid,,,,,,
,,,PHE TYR:E:1,valid,,,,,,
,,2HNV,,,,,,,
,,,PHE TYR:A:1,valid,,,,,,
,,,PHE TYR:B:1,valid,,,,,,
,,,PHE TYR:C:1,valid,,,,,,
,,,PHE TYR:D:1,valid,,,,,,
,,,PHE TYR:E:1,valid,,,,,,
,Family. Representative Entry is ,4GPS,,,,,,,
,,,CIT:A:501,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,6KZ6,,,,,,,
,,,MG:B:302,invalid,,,,,[Mg+2],
,,,MG:C:202,invalid,,,,,[Mg+2],
,,,UMP:B:301,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:A:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,,,UMP:C:201,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O,
,Family. Representative Entry is ,5THZ,,,,,,,
,,,SAH:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,FLC:A:502,invalid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6FMC,,,,,,,
,,,DUE:A:501,valid,Kd,=,1.32,uM,[H]/N=C(/N)NCCC[C@@H](C(=O)O)NC(=O)c1c(ccs1)NS(=O)(=O)c2cc(cc3c2occ3)c4ccc(cc4)CN,
,,7JJC,,,,,,,
,,,PEG:B:501,invalid,,,,,C(COCCO)O,
,,,PEG:D:501,invalid,,,,,C(COCCO)O,
,,,PEG:C:501,invalid,,,,,C(COCCO)O,
,,,PEG:A:501,invalid,,,,,C(COCCO)O,
,,,ASN SER PRO ARG ARG ALA ARG:H:683,valid,Kd,=,13,uM,,
,,,ASN SER PRO ARG ARG ALA ARG:F:683,valid,Kd,=,13,uM,,
,,,ASN SER PRO ARG ARG ALA ARG:G:679,valid,Kd,=,13,uM,,
,,,ASN SER PRO ARG ARG ALA ARG:E:683,valid,Kd,=,13,uM,,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:503,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,6CZI,,,,,,,
,,,38E:A:201,valid,Kd,=,0.56,uM,CC1=N/C(=Cc2cc(c(c(c2)F)O)F)/C(=O)N1C,
,,,38E:B:201,valid,Kd,=,0.56,uM,CC1=N/C(=Cc2cc(c(c(c2)F)O)F)/C(=O)N1C,
,,6CZH,,,,,,,
,,,38E:A:201,valid,,,,,CC1=N/C(=Cc2cc(c(c(c2)F)O)F)/C(=O)N1C,
,,,38E:B:201,valid,,,,,CC1=N/C(=Cc2cc(c(c(c2)F)O)F)/C(=O)N1C,
,Family. Representative Entry is ,6A55,,,,,,,
,,,DQY:A:202,valid,,,,,CS(C)CCC(=O)O,
,,,DQY:B:202,valid,,,,,CS(C)CCC(=O)O,
,,,MN:B:201,Part of Protein,,,,,[Mn+2],
,,,MN:A:201,Part of Protein,,,,,[Mn+2],
,Family. Representative Entry is ,4A3X,,,,,,,
,,,CA:A:1267,Part of Protein,,,,,[Ca+2],
,,,CA:A:1268,Part of Protein,,,,,[Ca+2],
,,,BGC GAL:B:1,valid,Kd,=,31.9,uM,OCC1C(O)C(O)C(O)C(O)O1,
,Family. Representative Entry is ,6FPG,,,,,,,
,,,CIT:G:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:F:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:C:301,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,4YC7,,,,,,,
,,,GNP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3JWH,,,,,,,
,,,SAH:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,6KOJ,,,,,,,
,,,I35:B:201,valid,,,,,CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC,
,,,I35:A:201,valid,,,,,CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)O)OP(=O)(O)O)O)OC(=O)CCC,
,Family. Representative Entry is ,5NC1,,,,,,,
,,,NAG:A:801,valid,Kd,=,2.9,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:801,valid,Kd,=,2.9,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:801,valid,Kd,=,2.9,mM,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,SO4:A:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:802,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:806,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:804,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:805,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:803,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GOL:B:807,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,4MLO,,,,,,,
,,,CL:A:302,invalid,,,,,[Cl-],
,,,CL:A:301,invalid,,,,,[Cl-],
,,,CL:A:303,invalid,,,,,[Cl-],
,,,PAM:A:304,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,,3GBG,,,,,,,
,,,PAM:A:5975,valid,,,,,CCCCCCC=C/CCCCCCCC(=O)O,
,Family. Representative Entry is ,6CZ7,,,,,,,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,FMT:A:905,invalid,,,,,C(=O)O,
,,,FMT:C:907,invalid,,,,,C(=O)O,
,,,FMT:C:906,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:D:305,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:C:905,invalid,,,,,C(=O)O,
,,,MO:A:904,Part of Protein,,,,,[Mo],
,,,MO:C:904,Part of Protein,,,,,[Mo],
,,,PG5:A:908,invalid,,,,,COCCOCCOCCOC,
,,,PG5:C:908,invalid,,,,,COCCOCCOCCOC,
,,,MGD:C:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,PEG:D:306,invalid,,,,,C(COCCO)O,
,,6CZA,,,,,,,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,FMT:A:905,invalid,,,,,C(=O)O,
,,,FMT:C:907,invalid,,,,,C(=O)O,
,,,FMT:C:906,invalid,,,,,C(=O)O,
,,,FMT:D:305,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:C:905,invalid,,,,,C(=O)O,
,,,FMT:D:306,invalid,,,,,C(=O)O,
,,,MO:A:904,Part of Protein,,,,,[Mo],
,,,MO:C:904,Part of Protein,,,,,[Mo],
,,,PG5:A:908,invalid,,,,,COCCOCCOCCOC,
,,,PG5:C:908,invalid,,,,,COCCOCCOCCOC,
,,,MGD:C:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,PO4:C:909,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:909,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PEG:D:307,invalid,,,,,C(COCCO)O,
,,6CZ9,,,,,,,
,,,FMT:A:909,invalid,,,,,C(=O)O,
,,,FMT:A:907,invalid,,,,,C(=O)O,
,,,FMT:C:907,invalid,,,,,C(=O)O,
,,,FMT:C:906,invalid,,,,,C(=O)O,
,,,FMT:B:305,invalid,,,,,C(=O)O,
,,,FMT:A:906,invalid,,,,,C(=O)O,
,,,FMT:C:908,invalid,,,,,C(=O)O,
,,,FMT:A:908,invalid,,,,,C(=O)O,
,,,AST:C:905,invalid,,,,,[O-][As]([O-])[O-],
,,,AST:A:905,invalid,,,,,[O-][As]([O-])[O-],
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MO:A:904,Part of Protein,,,,,[Mo],
,,,MO:C:904,Part of Protein,,,,,[Mo],
,,,MGD:C:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,PEG:D:305,invalid,,,,,C(COCCO)O,
,,,PG5:C:909,invalid,,,,,COCCOCCOCCOC,
,,,PG5:A:910,invalid,,,,,COCCOCCOCCOC,
,,6CZ8,,,,,,,
,,,FMT:A:909,invalid,,,,,C(=O)O,
,,,FMT:D:305,invalid,,,,,C(=O)O,
,,,FMT:A:910,invalid,,,,,C(=O)O,
,,,FMT:C:910,invalid,,,,,C(=O)O,
,,,FMT:C:909,invalid,,,,,C(=O)O,
,,,FMT:C:908,invalid,,,,,C(=O)O,
,,,FMT:A:908,invalid,,,,,C(=O)O,
,,,SF4:C:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:901,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:303,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:D:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:304,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,O:C:912,invalid,,,,,O,
,,,O:C:907,invalid,,,,,O,
,,,O:A:906,invalid,,,,,O,
,,,O:A:912,invalid,,,,,O,
,,,O:C:906,invalid,,,,,O,
,,,O:A:907,invalid,,,,,O,
,,,MGD:C:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:C:902,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,MGD:A:903,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@@H](O4)NC6=C(N5)C(=O)NC(=N6)N)S)S)O)O)N=C(NC2=O)N,
,,,ART:C:904,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,ART:A:904,invalid,,,,,[O-][As](=O)([O-])[O-],
,,,PG5:A:911,invalid,,,,,COCCOCCOCCOC,
,,,PG5:C:911,invalid,,,,,COCCOCCOCCOC,
,,,MO:C:905,Part of Protein,,,,,[Mo],
,,,MO:A:905,Part of Protein,,,,,[Mo],
,Family. Representative Entry is ,3P19,,,,,,,
,,,NDP:A:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:B:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:C:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,NDP:D:2001,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,Family. Representative Entry is ,4LEB,,,,,,,
,,,THR THR THR THR THR THR THR:B:1,valid,,,,,,
,Family. Representative Entry is ,2FKA,,,,,,,
,,,BEF:A:146,valid,,,,,[Be-](F)(F)F,
,,,CXS:A:143,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,CXS:A:144,invalid,,,,,C1CCC(CC1)NCCCS(=O)(=O)O,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,,,SO4:A:150,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2FMH,,,,,,,
,,,BEF:A:146,valid,,,,,[Be-](F)(F)F,
,,,GOL:A:151,invalid,,,,,C(C(CO)O)O,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,,,SO4:A:154,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TRS:A:150,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,2FMK,,,,,,,
,,,BEF:A:501,valid,,,,,[Be-](F)(F)F,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,,2FLW,,,,,,,
,,,BEF:A:146,valid,,,,,[Be-](F)(F)F,
,,,MG:A:9001,Part of Protein,,,,,[Mg+2],
,,,SO4:A:150,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6CDO,,,,,,,
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:304,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ALA VAL GLY ILE GLY ALA VAL PHE:C:512,valid,,,,,O=C(NCC(=O)NC(C=O)C)C(NC(=O)CNC(=O)C(NC(=O)C([NH3+])C)C(C)C)C(CC)C,
,Family. Representative Entry is ,6HDU,,,,,,,
,,,MG:A:901,Part of Protein,,,,,[Mg+2],
,,,MG:B:901,Part of Protein,,,,,[Mg+2],
,,,MG:D:901,Part of Protein,,,,,[Mg+2],
,,,MG:C:901,Part of Protein,,,,,[Mg+2],
,,,GTP:C:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:A:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:B:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:D:900,valid,Kd,=,1.2,uM,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4P3Y,,,,,,,
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GDP:A:402,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,6PEU,,,,,,,
,,,MG:D:502,Part of Protein,,,,,[Mg+2],
,,,MG:C:501,Part of Protein,,,,,[Mg+2],
,,,MG:D:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:502,Part of Protein,,,,,[Mg+2],
,,,MG:B:501,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,MG:B:502,Part of Protein,,,,,[Mg+2],
,,,ATP:A:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:500,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,4M44,,,,,,,
,,,NAG NAG:Q:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:H:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:M:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:O:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:P:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:K:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:L:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:E:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:409,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:409,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:406,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:403,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:404,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:F:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:201,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:409,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,GAL NAG GAL SIA:R:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:N:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,,,GAL NAG GAL SIA:J:1,valid,,,,,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(COC2(C(=O)[O-])OC(C(O)C(O)CO)C(NC(=O)C)C(O)C2)OC1OC1C(O)C(O)OC(CO)C1O)C,
,Family. Representative Entry is ,3E8T,,,,,,,
,,,UQ8:A:221,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,,4G0S,,,,,,,
,,,MYR:B:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:B:300,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:301,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,MYR:A:300,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,3E8W,,,,,,,
,,,UQ8:A:221,valid,,,,,CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C,
,Family. Representative Entry is ,6GW4,,,,,,,
,,,EDO:A:604,invalid,,,,,C(CO)O,
,,,EDO:A:603,invalid,,,,,C(CO)O,
,,,EDO:A:602,invalid,,,,,C(CO)O,
,,,EDO:A:601,invalid,,,,,C(CO)O,
,,,CHO:A:600,valid,Kd,=,0.000000064,M,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,
,Family. Representative Entry is ,6YGJ,,,,,,,
,,,OQE:A:301,valid,,,,,c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O,
,,,OQE:F:301,valid,,,,,c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O,
,Family. Representative Entry is ,4YHO,,,,,,,
,,,4CC:H:301,valid,Kd,=,18,pM,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,,4YHK,,,,,,,
,,,GOL:L:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:H:302,invalid,,,,,C(C(CO)O)O,
,,,4CC:H:301,valid,ic50,=,4.6,nM,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,,4YHM,,,,,,,
,,,4CC:H:301,valid,Kd,=,173,pM,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,,4YHI,,,,,,,
,,,4CC:H:301,valid,ic50,=,4.6,nM,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,,,4CC:A:301,valid,ic50,=,4.6,nM,[H]/N=C(c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4)/N,
,Family. Representative Entry is ,1HTW,,,,,,,
,,,ACT:A:570,invalid,,,,,CC(=O)[O-],
,,,ADP:A:560,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:660,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:C:760,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:561,Part of Protein,,,,,[Mg+2],
,,,MG:A:562,Part of Protein,,,,,[Mg+2],
,,,MG:B:661,Part of Protein,,,,,[Mg+2],
,,,MG:C:761,Part of Protein,,,,,[Mg+2],
,,,NA:A:563,Part of Protein,,,,,[Na+],
,,,NA:B:663,Part of Protein,,,,,[Na+],
,,,NA:C:763,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,3MTX,,,,,,,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,PGE:A:1,invalid,,,,,C(COCCOCCO)O,
,,,PGT:A:300,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,,PGT:B:300,valid,,,,,CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O,
,,3MU3,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:2,invalid,,,,,C(C(CO)O)O,
,,,LP4 LP5:A:300,valid,,,,,,
,,,LP4 LP5:B:300,valid,,,,,,
,Family. Representative Entry is ,5VLQ,,,,,,,
,,,ANP:B:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,SO4:A:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:602,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2O1V,,,,,,,
,,,ADP:A:301,valid,Kd,~,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:302,valid,Kd,~,5,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:755,Part of Protein,,,,,[Mg+2],
,,,MG:A:756,Part of Protein,,,,,[Mg+2],
,,,MG:B:755,Part of Protein,,,,,[Mg+2],
,,,MG:B:756,Part of Protein,,,,,[Mg+2],
,,2O1U,,,,,,,
,,,ANP:A:755,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:755,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,,,MG:A:303,Part of Protein,,,,,[Mg+2],
,,,MG:B:301,Part of Protein,,,,,[Mg+2],
,,,MG:B:304,Part of Protein,,,,,[Mg+2],
,,,MG:B:305,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5Y5Q,,,,,,,
,,,DUT:A:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:A:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,DUT:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O,
,,,MG:B:201,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,5Y5P,,,,,,,
,,,POP:B:203,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:F:502,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:503,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:A:502,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,POP:D:502,invalid,,,,,O[P@@](=O)([O-])O[P@@](=O)(O)[O-],
,,,DUR:C:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:D:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:F:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:B:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:A:501,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,DUR:E:202,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,MG:E:201,invalid,,,,,[Mg+2],
,,,MG:D:503,invalid,,,,,[Mg+2],
,,,MG:C:201,invalid,,,,,[Mg+2],
,,,MG:B:201,invalid,,,,,[Mg+2],
,Family. Representative Entry is ,6O6Y,,,,,,,
,,,ACK:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,ACK:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,LQJ:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,,LQJ:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,6O70,,,,,,,
,,,ACK:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,ACK:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N,
,,,LQJ:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,,LQJ:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,6O6X,,,,,,,
,,,A   A   A   A  :D:1,valid,,,,,,
,,,A   A   A   A  :C:1,valid,,,,,,
,,6O6Z,,,,,,,
,,,LQJ:B:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,,LQJ:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)n6cnc7c6ncnc7N)OP(=O)(O5)O)O)N,
,,6O6V,,,,,,,
,,,A   A   A   A  :D:1,valid,,,,,,
,,,A   A   A   A  :C:1,valid,,,,,,
,Family. Representative Entry is ,3O6M,,,,,,,
,,,PRO LYS LEU GLU PRO TRP LYS HIS PRO:C:6,valid,Kd,=,33,nM,,
,Family. Representative Entry is ,6BXO,,,,,,,
,,,SF4:A:900,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:900,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAH:A:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,,SAH:B:901,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,,6BXM,,,,,,,
,,,SF4:A:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:401,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:A:402,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,ABA:B:402,valid,,,,,CC[C@@H](C(=O)O)N,
,,,MTA:B:403,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,6BXN,,,,,,,
,,,SF4:A:900,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:900,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SAM:B:901,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,SAM:A:901,valid,,,,,C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,5HCA,,,,,,,
,,,NH4:A:401,invalid,,,,,[NH4+],
,,,SO4:B:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,CL:B:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,CA:C:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,BGC:A:407,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,
,,,ACT:A:406,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4L2I,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,NAD:B:302,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N,
,,4KPU,,,,,,,
,,,CL:A:402,invalid,,,,,[Cl-],
,,,FAD:A:401,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,,,FAD:B:301,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O,
,Family. Representative Entry is ,3LSJ,,,,,,,
,,,COA PLM:B:222,valid,,,,,,
,,,PLM COA:A:221,valid,Kd,=,2.06,uM,S(C(=O)CCCCCCCCCCCCCCC)CCNC(=O)CCNC(=O)C(O)C(COP(=O)(OP(=O)(OCC1C(OP(=O)([O-])[O-])C(O)C(n2c3ncnc(N)c3nc2)O1)[O-])[O-])(C)C,
,Family. Representative Entry is ,5X5M,,,,,,,
,,,7YU:B:302,valid,ic50,=,4,pM,COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O,
,,,7YU:A:302,valid,ic50,=,4,pM,COc1cc2c(cc1O)cc([nH]2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c6c5cc([nH]6)C(=O)N7CCc8c7c(c(c9c8cc([nH]9)C(=O)SC)OC)O,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,DMS:A:301,invalid,,,,,CS(=O)C,
,Family. Representative Entry is ,5YZC,,,,,,,
,,,95C:B:601,valid,,,,,c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-],
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:203,valid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,Family. Representative Entry is ,2HYQ,,,,,,,
,,,MAN MAN:F:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:H:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:C:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:G:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:D:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,MAN MAN:E:1,valid,Kd,=,88.3,uM,O(C1C(O)C(O)C(O)C(CO)O1)C1C(O)C(O)C(CO)OC1,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:202,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:203,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4XHV,,,,,,,
,,,ASP SER LYS ASP VAL LYS GLU TRP TYR VAL ZN :B:1831,valid,Kd,=,50,uM,,
,,,EDO:A:1401,invalid,,,,,C(CO)O,
,,,CL:A:1402,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2EW1,,,,,,,
,,,GNP:A:700,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,MG:A:701,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,4IDC,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,1XX:A:402,valid,,,,,C[C@@H]1C(=O)C(=C(O1)C)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4IDE,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,3XX:A:402,valid,,,,,C/C=C/1C(=O)C(=C(O1)C)O,
,,4IDF,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,4XX:A:402,valid,,,,,CC1=C(C(=O)CO1)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4IDB,,,,,,,
,,,NAP:A:401,valid,,,,,c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N,
,,,SO4:A:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,EDO:A:403,invalid,,,,,C(CO)O,
,,4IDD,,,,,,,
,,,NDP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N,
,,,2XX:A:402,valid,,,,,CC[C@@H]1C(=O)C(=C(O1)C)O,
,,,EDO:A:404,invalid,,,,,C(CO)O,
,,,EDO:A:405,invalid,,,,,C(CO)O,
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6XB4,,,,,,,
,,,9BG:D:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:C:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,,,9BG:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5cnc6c5NC(=NC6=O)N)CO)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,3QFU,,,,,,,
,,,ADP:A:501,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1,invalid,,,,,[Mg+2],
,,,PO4:A:427,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:A:502,invalid,,,,,[O-]P(=O)([O-])[O-],
,Family. Representative Entry is ,4UP5,,,,,,,
,,,ZN:A:1383,Part of Protein,,,,,[Zn+2],
,,,ZN:A:1384,Part of Protein,,,,,[Zn+2],
,,,94W:A:1385,valid,Kd,=,2.5,mM,COc1ccc2c(c1)sc(n2)N,
,Family. Representative Entry is ,2RDE,,,,,,,
,,,C2E:A:301,valid,Kd,=,97.1,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,,,C2E:B:301,valid,Kd,=,97.1,nM,c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O[C@@H]5[C@@H](CO[P@@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6N=C(NC7=O)N)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1OH2,,,,,,,
,,,CA:P:1486,Part of Protein,,,,,[Ca+2],
,,,CA:Q:1484,Part of Protein,,,,,[Ca+2],
,,,CA:R:1486,Part of Protein,,,,,[Ca+2],
,,,GLC FRU:B:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:E:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:F:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:D:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:C:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,,,GLC FRU:A:1,valid,,,,,O=CC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)(CO)O1,
,Family. Representative Entry is ,6XNV,,,,,,,
,,,2BA:B:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,,,2BA:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O[C@@H]5[C@@H](CO[P@](=O)(O4)O)O[C@H]([C@@H]5O)n6cnc7c6ncnc7N)O)O)N,
,Family. Representative Entry is ,5VL2,,,,,,,
,,,9EG:E:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:F:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:C:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:A:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:B:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:G:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:D:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,,,9EG:H:201,valid,Kd,=,3.77,nM,c1cc(ccc1NC(=O)Nc2ccc(c(c2)Cl)Cl)Cl,
,Family. Representative Entry is ,4DW4,,,,,,,
,,,BMA MAN BMA MAN:G:3,invalid,,,,,,
,,,NAG:A:1108,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1107,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1108,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:H:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:I:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN BMA:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN BMA:F:1,Part of Protein,,,,,,
,,,SO4:A:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U5P:A:1118,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:A:1119,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:1114,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:1115,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4DW3,,,,,,,
,,,BMA MAN BMA:E:3,invalid,,,,,,
,,,C5P:A:1117,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,C5P:B:1114,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,NAG:A:1106,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1107,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1108,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1106,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1107,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1110,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:E:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA MAN BMA:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA MAN BMA:D:1,Part of Protein,,,,,,
,,,SO4:A:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4DW5,,,,,,,
,,,1PE:A:1119,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BMA:F:7,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:F:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:C:5,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,CSQ:A:1117,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O,
,,,CSV:A:1118,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O[P@](=O)(OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)S)O,
,,,NAG:A:1107,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1108,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:2,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:D:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1113,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1110,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1111,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1112,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:G:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA BMA BMA:C:1,Part of Protein,,,,,,
,,,NAG NAG BMA BMA MAN:F:1,Part of Protein,,,,,,
,,,SO4:A:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1113,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U:B:1116,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,4DVN,,,,,,,
,,,BMA BMA:C:3,invalid,,,,,,
,,,BMA MAN:E:3,invalid,,,,,,
,,,MAN:C:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,MAN:E:4,invalid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O,
,,,NAG:C:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:C:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1106,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1107,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:1108,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:E:2,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1106,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:1109,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG:F:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG BMA BMA MAN:D:1,Part of Protein,,,,,,
,,,SO4:A:1114,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1115,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1116,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1117,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1110,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1111,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1112,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,U2P:A:1118,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,,U2P:A:1119,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,,,U2P:B:1113,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)(O)O,
,Family. Representative Entry is ,3SFV,,,,,,,
,,,GDP:A:200,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,4RHP,,,,,,,
,,,PEF:A:401,valid,,,,,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC,
,Family. Representative Entry is ,6L6O,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,MG:A:204,Part of Protein,,,,,[Mg+2],
,,,GDP:A:201,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,ACT:A:203,invalid,,,,,CC(=O)[O-],
,Family. Representative Entry is ,4WVB,,,,,,,
,,,MPD:B:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:503,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:502,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:501,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,CL:A:501,invalid,,,,,[Cl-],
,,,CL:B:500,invalid,,,,,[Cl-],
,,,GLC:A:504,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,
,,4WVC,,,,,,,
,,,CL:A:500,invalid,,,,,[Cl-],
,,,CL:B:500,invalid,,,,,[Cl-],
,,,DGY:A:502,valid,,,,,C([C@H](C(=O)O)O)O,
,,,DGY:B:502,valid,,,,,C([C@H](C(=O)O)O)O,
,,,TRS:B:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:501,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,Family. Representative Entry is ,6RZQ,,,,,,,
,,,GOL:B:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:505,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:506,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:504,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:507,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:504,invalid,,,,,C(C(CO)O)O,
,,,MG:B:501,invalid,,,,,[Mg+2],
,,,MG:A:501,invalid,,,,,[Mg+2],
,,,ANP:B:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:A:502,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6S02,,,,,,,
,,,MG:A:451,Part of Protein,,,,,[Mg+2],
,,,MG:B:452,Part of Protein,,,,,[Mg+2],
,,,ADP:A:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ADP:B:450,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,2I5F,,,,,,,
,,,5IP:A:550,valid,ic50,=,2.2,uM,C1([C@@H]([C@H](C([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,2I5C,,,,,,,
,,,IP5:A:550,valid,,,,,C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,IP5:B:551,valid,,,,,C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,IP5:C:552,valid,,,,,C1([C@@H]([C@@H](C([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,4ODT,,,,,,,
,,,PG0:L:303,invalid,,,,,COCCOCCO,
,,,PG0:L:302,invalid,,,,,COCCOCCO,
,,,PG0:H:303,invalid,,,,,COCCOCCO,
,,,PG0:L:301,invalid,,,,,COCCOCCO,
,,,GP1 Z9M:A:1,valid,,,,,P(=O)(OC1C(O)C([NH3+])C(OCC2C(O)C(O)C([NH3+])C(OP(=O)([O-])[O-])O2)OC1CO)([O-])[O-],
,Family. Representative Entry is ,5ULJ,,,,,,,
,,,PPV:C:401,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,PPV:D:401,invalid,,,,,OP(=O)(O)OP(=O)(O)O,
,,,CA:A:401,Part of Protein,,,,,[Ca+2],
,,,CA:B:401,Part of Protein,,,,,[Ca+2],
,,,0WD:B:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N,
,,,0WD:A:402,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)OP(=O)(O)O)O)N,
,Family. Representative Entry is ,6FRJ,,,,,,,
,,,EDO:H:1203,invalid,,,,,C(CO)O,
,,,EDO:H:1202,invalid,,,,,C(CO)O,
,,,EDO:H:1204,invalid,,,,,C(CO)O,
,,,EDO:H:1201,invalid,,,,,C(CO)O,
,,,ALA PRO ASP T9E ARG PRO NH2 A2G:B:1,valid,Kd,=,141,uM,,
,,5A2K,,,,,,,
,,,EDO:H:3007,invalid,,,,,C(CO)O,
,,,EDO:H:3005,invalid,,,,,C(CO)O,
,,,EDO:H:3002,invalid,,,,,C(CO)O,
,,,EDO:H:3006,invalid,,,,,C(CO)O,
,,,EDO:H:3001,invalid,,,,,C(CO)O,
,,,EDO:H:3004,invalid,,,,,C(CO)O,
,,,ALA PRO ASP THR ARG PRO A2G:P:1,valid,,,,,,
,,5A2L,,,,,,,
,,,EDO:H:3003,invalid,,,,,C(CO)O,
,,,EDO:H:3002,invalid,,,,,C(CO)O,
,,,EDO:H:3001,invalid,,,,,C(CO)O,
,,,EDO:H:3004,invalid,,,,,C(CO)O,
,,,ALA PRO ASP CYS ARG PRO A2G:P:1,valid,,,,,,
,,5A2I,,,,,,,
,,,EDO:H:3113,invalid,,,,,C(CO)O,
,,,EDO:H:3108,invalid,,,,,C(CO)O,
,,,ALA PRO ASP SER ARG PRO A2G:P:1,valid,,,,,,
,,6FZR,,,,,,,
,,,EDO:H:1203,invalid,,,,,C(CO)O,
,,,EDO:H:1205,invalid,,,,,C(CO)O,
,,,EDO:H:1207,invalid,,,,,C(CO)O,
,,,EDO:H:1204,invalid,,,,,C(CO)O,
,,,EDO:H:1206,invalid,,,,,C(CO)O,
,,,EDO:H:1201,invalid,,,,,C(CO)O,
,,,EDO:H:1202,invalid,,,,,C(CO)O,
,,,EDO:H:1208,invalid,,,,,C(CO)O,
,,,ALA PRO ASP THR ARG PRO EEQ:P:1,valid,,,,,,
,,6FZQ,,,,,,,
,,,EDO:H:1210,invalid,,,,,C(CO)O,
,,,EDO:H:1203,invalid,,,,,C(CO)O,
,,,EDO:H:1205,invalid,,,,,C(CO)O,
,,,EDO:H:1207,invalid,,,,,C(CO)O,
,,,EDO:H:1204,invalid,,,,,C(CO)O,
,,,EDO:H:1206,invalid,,,,,C(CO)O,
,,,EDO:H:1201,invalid,,,,,C(CO)O,
,,,EDO:H:1202,invalid,,,,,C(CO)O,
,,,EDO:H:1208,invalid,,,,,C(CO)O,
,,,EDO:H:1209,invalid,,,,,C(CO)O,
,,,ALA PRO ASP THR ARG PRO EEN:P:1,valid,,,,,,
,,5A2J,,,,,,,
,,,EDO:H:2111,invalid,,,,,C(CO)O,
,,,EDO:H:2110,invalid,,,,,C(CO)O,
,,,EDO:H:2108,invalid,,,,,C(CO)O,
,,,EDO:H:2109,invalid,,,,,C(CO)O,
,,,ALA PRO ASP THR ARG PRO:P:1,valid,,,,,,
,,5FXC,,,,,,,
,,,EDO:H:2107,invalid,,,,,C(CO)O,
,,,EDO:H:2110,invalid,,,,,C(CO)O,
,,,EDO:H:2108,invalid,,,,,C(CO)O,
,,,EDO:H:2109,invalid,,,,,C(CO)O,
,,,ALA PRO ASP THR ARG PRO:P:3,valid,,,,,,
,Family. Representative Entry is ,4I53,,,,,,,
,,,NAG:A:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:502,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:503,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:508,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:504,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:507,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:506,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:A:505,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,1C1:A:501,valid,Kd,=,110,nM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N,
,,,1C1:B:501,valid,Kd,=,110,nM,c1ccc2c(c1)C[C@@H]([C@H]2NC(=O)C(=O)Nc3ccc(c(c3)F)Cl)CNC(=[NH2+])N,
,,,ASN ILE THR GLY LEU LEU LEU LEU ARG ASP:A:448,invalid,,,,,,
,,,ASN ILE THR GLY LEU LEU LEU LEU ARG ASP:B:448,invalid,,,,,,
,,,FMT:B:502,invalid,,,,,C(=O)O,
,Family. Representative Entry is ,3AJM,,,,,,,
,,,4IP:A:1,valid,,,,,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,Family. Representative Entry is ,5M3E,,,,,,,
,,,APR:A:201,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N,
,,,CL:A:202,invalid,,,,,[Cl-],
,Family. Representative Entry is ,2UX9,,,,,,,
,,,COA:A:1070,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:1071,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:C:1074,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:D:1071,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:E:1071,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:F:1071,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,FMN:A:1069,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:B:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:1073,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:D:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:1069,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:E:1070,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:1068,Part of Protein,,,,,[Na+],
,,,NA:C:1071,Part of Protein,,,,,[Na+],
,,,NA:C:1072,Part of Protein,,,,,[Na+],
,,,NA:E:1072,Part of Protein,,,,,[Na+],
,,,PO4:B:1069,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:C:1070,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,PO4:F:1070,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2V21,,,,,,,
,,,FMN:A:101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:C:101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,FMN:F:101,valid,,,,,Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O,
,,,NA:A:1069,Part of Protein,,,,,[Na+],
,,,NA:F:1069,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6M8N,,,,,,,
,,,MLI:A:501,valid,,,,,C(C(=O)[O-])C(=O)[O-],
,,,CA:A:502,invalid,,,,,[Ca+2],
,Family. Representative Entry is ,2XBP,,,,,,,
,,,ATP:A:1114,valid,Kd,=,9.6,uM,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CL:A:1116,invalid,,,,,[Cl-],
,,,MG:A:1115,invalid,,,,,[Mg+2],
,,2XZW,,,,,,,
,,,AKG:A:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:H:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:I:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:G:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:H:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:I:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,,,MG:H:202,Part of Protein,,,,,[Mg+2],
,,,MG:I:202,Part of Protein,,,,,[Mg+2],
,,4AFF,,,,,,,
,,,ATP:A:1117,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,FLC:A:1119,valid,,,,,C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O,
,,,MG:A:1118,invalid,,,,,[Mg+2],
,,2XUL,,,,,,,
,,,AKG:A:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:B:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:C:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:D:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:E:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,AKG:F:201,valid,,,,,C(CC(=O)O)C(=O)C(=O)O,
,,,ATP:A:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:C:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:D:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:E:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:F:200,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:202,Part of Protein,,,,,[Mg+2],
,,,MG:B:202,Part of Protein,,,,,[Mg+2],
,,,MG:C:202,Part of Protein,,,,,[Mg+2],
,,,MG:D:202,Part of Protein,,,,,[Mg+2],
,,,MG:E:202,Part of Protein,,,,,[Mg+2],
,,,MG:F:202,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,6B21,,,,,,,
,,,C9V:A:501,valid,,,,,[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCCC(=O)O[C@H](COP(=O)(O)OC[C@H](COC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC)COP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC)C)C)(F)F,
,Family. Representative Entry is ,4MDR,,,,,,,
,,,GLU ASN PRO THR TYR LYS PHE PHE GLU GLN:B:686,valid,Kd,=,40.6,uM,,
,,3L81,,,,,,,
,,,GOL:A:1,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:2,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,THR TYR LYS PHE PHE GLU GLN:B:686,valid,,,,,,
,Family. Representative Entry is ,6IOP,,,,,,,
,,,CA:A:301,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,ACT:A:302,invalid,,,,,CC(=O)[O-],
,,,ALA:B:501,valid,Kd,=,5.1,uM,C[C@@H](C(=O)O)N,
,,6IOU,,,,,,,
,,,SER:B:501,valid,Kd,=,18.3,uM,C([C@@H](C(=O)O)N)O,
,,,SER:A:501,valid,Kd,=,18.3,uM,C([C@@H](C(=O)O)N)O,
,,,TRS:B:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:503,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,6IOQ,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,GLY:A:501,valid,Kd,=,9,uM,C(C(=O)O)N,
,,6IOS,,,,,,,
,,,TRS:A:504,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:A:505,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,PRO:A:501,valid,Kd,=,23.8,uM,C1C[C@H](NC1)C(=O)O,
,,,ACT:A:503,invalid,,,,,CC(=O)[O-],
,,6IOR,,,,,,,
,,,CA:A:502,Part of Protein,,,,,[Ca+2],
,,,CA:C:502,Part of Protein,,,,,[Ca+2],
,,,CA:B:502,Part of Protein,,,,,[Ca+2],
,,,CA:D:502,Part of Protein,,,,,[Ca+2],
,,,ASN:A:501,valid,Kd,=,6.3,uM,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:B:501,valid,Kd,=,6.3,uM,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:D:501,valid,Kd,=,6.3,uM,C([C@@H](C(=O)O)N)C(=O)N,
,,,ASN:C:501,valid,Kd,=,6.3,uM,C([C@@H](C(=O)O)N)C(=O)N,
,Family. Representative Entry is ,3SUC,,,,,,,
,,,ATP:A:856,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,CA:A:1,Part of Protein,,,,,[Ca+2],
,,,MG:A:855,Part of Protein,,,,,[Mg+2],
,,,MG:A:857,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,5V8E,,,,,,,
,,,NA:A:403,invalid,,,,,[Na+],
,,,CIT:A:402,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:401,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:404,invalid,,,,,C(COCCO)O,
,,,PEG:B:402,invalid,,,,,C(COCCO)O,
,Family. Representative Entry is ,2WN2,,,,,,,
,,,1PG:A:502,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,A2G GAL:A:301,valid,Kd,=,27.2,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:B:301,valid,Kd,=,27.2,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,A2G GAL:C:301,valid,Kd,=,27.2,uM,O=C(NC1C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)OC1O)C,
,,,NGA GAL:F:1,valid,Kd,=,27.2,uM,,
,,,NGA GAL:E:1,valid,Kd,=,27.2,uM,,
,,,NGA GAL:D:1,valid,Kd,=,27.2,uM,,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:C:400,Part of Protein,,,,,[Ca+2],
,,,GOL:A:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:502,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:502,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2WN3,,,,,,,
,,,1PG:A:500,invalid,,,,,COCCOCCOCCOCCOCCO,
,,,CA:A:400,Part of Protein,,,,,[Ca+2],
,,,CA:B:400,Part of Protein,,,,,[Ca+2],
,,,CA:C:400,Part of Protein,,,,,[Ca+2],
,,,GOL:B:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:500,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:501,invalid,,,,,C(C(CO)O)O,
,,,SO4:A:401,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:403,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:402,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,GAL NGA:F:1,valid,Kd,=,49.4,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,GAL NGA:E:1,valid,Kd,=,49.4,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,,GAL NGA:D:1,valid,Kd,=,49.4,uM,O=C(NC1C(O)C(O)C(CO)OC1OC1C(O)C(CO)OCC1O)C,
,,2W95,,,,,,,
,,,CA:A:260,Part of Protein,,,,,[Ca+2],
,,,CA:B:260,Part of Protein,,,,,[Ca+2],
,,,CA:C:260,Part of Protein,,,,,[Ca+2],
,,,MPD:A:256,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:A:258,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:B:256,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MPD:C:256,invalid,,,,,C[C@@H](CC(C)(C)O)O,
,,,MRD:B:258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:255,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,MRD:C:258,invalid,,,,,C[C@H](CC(C)(C)O)O,
,,,NGA:A:254,valid,Kd,=,302,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:B:254,valid,Kd,=,302,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NGA:C:254,valid,Kd,=,302,uM,CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O,
,,,NI:B:261,Part of Protein,,,,,[Ni+2],
,,,SO4:A:257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:255,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:257,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:259,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,4QAR,,,,,,,
,,,ADE:B:201,valid,,,,,c1[nH]c2c(n1)c(ncn2)N,
,,,SO4:A:201,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4QAT,,,,,,,
,,,MTA:B:201,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,Family. Representative Entry is ,6HAJ,,,,,,,
,,,7PE:A:101,invalid,,,,,CCOCCOCCOCCOCCOCCOCCO,
,,,EVB:B:101,valid,Kd,=,10.6,uM,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c8O)Cc9cc(cc(c9O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,,6HAH,,,,,,,
,,,NA:A:104,Part of Protein,,,,,[Na+],
,,,FWN:A:102,invalid,,,,,CCOCCOCCOCCO,
,,,FWQ:A:101,valid,Kd,=,15.4,uM,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S(=O)(=O)[O-],
,,,GOL:A:103,invalid,,,,,C(C(CO)O)O,
,,6HA4,,,,,,,
,,,GOL:A:201,invalid,,,,,C(C(CO)O)O,
,,,T3Y:A:202,valid,Kd,=,107,uM,c1c(cc2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(c5O)C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O,
,Family. Representative Entry is ,5Z46,,,,,,,
,,,MG:B:403,Part of Protein,,,,,[Mg+2],
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:401,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,,,GST:B:401,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,8XL:B:404,valid,,,,,[C-]#[N+]/C=Cc1c[nH]c2c1cccc2,
,,5Z44,,,,,,,
,,,GST:B:401,invalid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,GST:A:401,valid,,,,,CC(=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:B:402,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,3GJX,,,,,,,
,,,CL:E:362,invalid,,,,,[Cl-],
,,,GTP:C:217,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GTP:F:217,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:C:218,Part of Protein,,,,,[Mg+2],
,,,MG:F:218,Part of Protein,,,,,[Mg+2],
,,,NA:B:361,Part of Protein,,,,,[Na+],
,,,NA:E:361,Part of Protein,,,,,[Na+],
,Family. Representative Entry is ,6TOP,,,,,,,
,,,NA:A:702,invalid,,,,,[Na+],
,,,NA:C:702,invalid,,,,,[Na+],
,,,NA:D:702,invalid,,,,,[Na+],
,,,NA:B:702,invalid,,,,,[Na+],
,,,MLD:C:701,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:A:701,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:D:701,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,,,MLD:B:701,valid,,,,,C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)N[C@H](C)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C,
,Family. Representative Entry is ,2OBT,,,,,,,
,,,GAL FUC GLA:B:1,valid,,,,,,
,,2OBS,,,,,,,
,,,GL0 FUC A2G:B:1,valid,,,,,,
,Family. Representative Entry is ,4XWT,,,,,,,
,,,MN:B:603,Part of Protein,,,,,[Mn+2],
,,,MN:A:603,Part of Protein,,,,,[Mn+2],
,,,U5P:A:606,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,U5P:B:604,valid,,,,,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O,
,,,GOL:A:604,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:605,invalid,,,,,C(C(CO)O)O,
,,,ZN:A:601,Part of Protein,,,,,[Zn+2],
,,,ZN:B:602,Part of Protein,,,,,[Zn+2],
,,,ZN:A:602,Part of Protein,,,,,[Zn+2],
,,,ZN:B:601,Part of Protein,,,,,[Zn+2],
2.3.1.203,,,,,,,,,
,Family. Representative Entry is ,5T2Y,,,,,,,
,,,GOL:A:202,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:202,invalid,,,,,C(C(CO)O)O,
,,,753:B:201,valid,ic50,=,2.2,uM,Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC,
,,,753:A:201,valid,ic50,=,2.2,uM,Cc1c2c(nc(nc2sc1C(=O)O)CCc3ccccc3)NC,
,,,DMS:B:203,invalid,,,,,CS(=O)C,
,,,DMS:A:204,invalid,,,,,CS(=O)C,
,,5TYH,,,,,,,
,,,7O4:A:201,valid,ic50,=,8.4,mM,c1cc(oc1)c2cc([nH]n2)C(=O)O,
,,,7O4:A:202,valid,ic50,=,8.4,mM,c1cc(oc1)c2cc([nH]n2)C(=O)O,
,,2VHE,,,,,,,
,,,COA:A:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,COA:B:300,valid,,,,,CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,,3BSY,,,,,,,
,,,ACO:A:401,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:B:403,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,,ACO:C:402,valid,,,,,CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O,
,,3BSS,,,,,,,
,,,UD4:A:201,valid,,,,,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C)O)N,
,,3BSW,,,,,,,
,,,CIT:A:201,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
3.1.4.23,,,,,,,,,
,Family. Representative Entry is ,1RDS,,,,,,,
,,,GPC:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N,
,,1RMS,,,,,,,
,,,3GP:A:106,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O)O)N=C(NC2=O)N,
6.3.4.4,,,,,,,,,
,Family. Representative Entry is ,1QF5,,,,,,,
,,,GDP:A:434,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:433,Part of Protein,,,,,[Mg+2],
,,,PO4:A:432,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RPL:A:435,valid,ic50,=,0.043,uM,C(C[C@@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O,
,,1HOO,,,,,,,
,,,GNH:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,,GNP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,1NHT,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,,PGS:A:440,valid,,,,,c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O,
,,1GIM,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:438,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMP:A:440,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,,NO3:A:433,invalid,,,,,[N+](=O)([O-])[O-],
,,1CIB,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMP:A:440,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:434,Part of Protein,,,,,[Mg+2],
,,,NO3:A:433,invalid,,,,,[N+](=O)([O-])[O-],
,,1QF4,,,,,,,
,,,GDP:A:434,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:433,Part of Protein,,,,,[Mg+2],
,,,PO4:A:432,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,RPD:A:435,valid,ic50,=,0.665,uM,C(C[C@H](C(=O)O)[N@](CO)O)CN1C(=O)[C@@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC1=O,
,,1CH8,,,,,,,
,,,GPX:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](=O)(O4)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMP:A:440,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:A:434,Part of Protein,,,,,[Mg+2],
,,,NO3:A:433,invalid,,,,,[N+](=O)([O-])[O-],
,,1CG0,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMO:A:440,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,1CG1,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMO:A:440,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,2GCQ,,,,,,,
,,,DOI:A:451,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,Ki,=,17,uM,C(C(=O)O)N(C=O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,1HON,,,,,,,
,,,GNH:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(N)O)O)O)N=C(NC2=O)N,
,,1CG4,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,IMO:A:440,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,1CG3,,,,,,,
,,,GDP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:437,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMO:A:440,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:435,Part of Protein,,,,,[Mg+2],
,,1HOP,,,,,,,
,,,GCP:A:432,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,,,GCP:B:433,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,5I34,,,,,,,
,,,IMP:A:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:502,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,GDP:B:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:A:501,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,Family. Representative Entry is ,1P9B,,,,,,,
,,,GDP:A:1603,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:1602,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMO:A:1601,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:1600,Part of Protein,,,,,[Mg+2],
,,,NO3:A:1604,invalid,,,,,[N+](=O)([O-])[O-],
,Family. Representative Entry is ,1IWE,,,,,,,
,,,ACT:A:458,invalid,,,,,CC(=O)[O-],
,,,ACT:A:459,invalid,,,,,CC(=O)[O-],
,,,IMP:A:460,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1443,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,IMP:B:1452,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O,
,,,MG:B:1442,Part of Protein,,,,,[Mg+2],
,,1LON,,,,,,,
,,,GDP:A:1453,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,HDA:A:1455,valid,,,,,C(C(=O)O)N(C=O)O,
,,,IMO:A:1451,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:1454,Part of Protein,,,,,[Mg+2],
,,1MF0,,,,,,,
,,,AMP:A:1454,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,GDP:A:1452,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1453,Part of Protein,,,,,[Mg+2],
,,,PO4:A:1451,invalid,,,,,[O-]P(=O)([O-])[O-],
,,2DGN,,,,,,,
,,,DOI:A:1451,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O,
,,,GDP:A:1452,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1454,Part of Protein,,,,,[Mg+2],
,,1LOO,,,,,,,
,,,GTP:A:458,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,1MEZ,,,,,,,
,,,2SA:A:1455,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N[C@@H](CC(=O)O)C(=O)O,
,,,GDP:A:1452,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,MG:A:1453,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1454,invalid,,,,,[O-]S(=O)(=O)[O-],
,,1LNY,,,,,,,
,,,GDP:A:1452,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,GDP:B:1454,valid,,,,,c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N,
,,,IMO:A:1451,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,IMO:B:1455,valid,,,,,c1nc2c(c(n1)OP(=O)(O)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O,
,,,MG:A:1453,Part of Protein,,,,,[Mg+2],
,,,MG:B:1456,Part of Protein,,,,,[Mg+2],
3.4.21.26,,,,,,,,,
,Family. Representative Entry is ,2BKL,,,,,,,
,,,MES:A:1678,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1679,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1680,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,SO4:A:1680,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZAH:A:1533,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2,
,,,ZAH:B:1533,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2,
,,,ZAH:B:1679,valid,,,,,C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2,
,Family. Representative Entry is ,3EQ9,,,,,,,
,,,X97:A:711,valid,ic50,=,41,nM,c1ccc(cc1)C2(C(=O)N(C(=O)N2)CCCC(=O)N3CCC[C@H]3C(=O)N4CCCC4)c5ccccc5,
,,3DDU,,,,,,,
,,,552:A:901,valid,ic50,=,40,nM,c1cc(ccc1COC2=NC(=C3C=C[C@H](N3C2=O)C(=O)N4CCCC4)Cl)F,
,,,ACT:A:801,invalid,,,,,CC(=O)[O-],
,,,ACT:A:802,invalid,,,,,CC(=O)[O-],
,,,ACT:A:803,invalid,,,,,CC(=O)[O-],
,,,ACT:A:804,invalid,,,,,CC(=O)[O-],
,,,ACT:A:805,invalid,,,,,CC(=O)[O-],
,,,GOL:A:1000,invalid,,,,,C(C(CO)O)O,
,,1E8N,,,,,,,
,,,BE2 GLY PHE GLY PRO PHE GLY PHE ALA:I:722,valid,,,,,O=C(NCC(=O)N1C(C(=O)NC(C(=O)NCC=O)Cc2ccccc2)CCC1)C(NC(=O)CNC(=O)c1c(N)cccc1)Cc1ccccc1,
,,,GOL:A:790,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:791,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:792,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:793,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:794,invalid,,,,,C(C(CO)O)O,
,,1O6G,,,,,,,
,,,GLY SIN PRO:A:725,valid,,,,,O=C([O-])CCC(=O)[NH2+]CC(=O)N1C(C(=O)[O-])CCC1,
,,1E8M,,,,,,,
,,,GOL:A:791,invalid,,,,,C(C(CO)O)O,
,,,P0H:A:724,valid,,,,,c1ccc(cc1)COC(=O)NCC(=O)N2CCC[C@H]2C(=O)O,
,,1UOP,,,,,,,
,,,GLY PHE GLU PRO:B:723,valid,,,,,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCC(=O)[O-])C(NC(=O)C[NH3+])Cc1ccccc1,
,,,GOL:A:1711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1712,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,1O6F,,,,,,,
,,,GLY SIN PRO:A:725,valid,,,,,O=C([O-])CCC(=O)[NH2+]CC(=O)N1C(C(=O)[O-])CCC1,
,,,GOL:A:792,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:793,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:794,invalid,,,,,C(C(CO)O)O,
,,1UOQ,,,,,,,
,,,GLU PHE SER PRO:B:723,valid,,,,,O=C(NC(C(=O)NC(C(=O)N1C(C(=O)[O-])CCC1)CO)Cc1ccccc1)C([NH3+])CCC(=O)[O-],
,,,GOL:A:1711,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1712,invalid,,,,,C(C(CO)O)O,
,,1UOO,,,,,,,
,,,GLY PHE ARG PRO:B:723,valid,Kd,=,0.29,uM,O=C(NC(C(=O)N1C(C(=O)[O-])CCC1)CCCNC(=[NH2+])N)C(NC(=O)C[NH3+])Cc1ccccc1,
,,,GOL:A:1727,invalid,,,,,C(C(CO)O)O,
,,4BCD,,,,,,,
,,,TAM:A:1711,invalid,,,,,C(CO)C(CCO)(CCO)N,
,,,GOL:A:1718,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1719,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1717,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1714,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1713,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1715,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1720,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1716,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1712,invalid,,,,,C(C(CO)O)O,
,,,TDV:A:791,valid,ic50,=,0.033,uM,c1ccc(cc1)CCCC(=O)N2C[C@H](C[C@H]2C(=O)N3CCCC3)n4cc(nn4)c5ccc(cc5)F,
,,1H2Z,,,,,,,
,,,GLY SIN PRO:A:725,valid,,,,,O=C([O-])CCC(=O)[NH2+]CC(=O)N1C(C(=O)[O-])CCC1,
,,,GOL:A:791,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:792,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:794,invalid,,,,,C(C(CO)O)O,
,,1QFM,,,,,,,
,,,GOL:A:790,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:791,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:792,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:793,invalid,,,,,C(C(CO)O)O,
,,,SGL:A:781,valid,,,,,C([C@H](CSO)O)O,
,,,SGL:A:782,valid,,,,,C([C@H](CSO)O)O,
,,,SGM:A:783,invalid,,,,,C([C@H](CS)O)O,
,,,SGM:A:784,invalid,,,,,C([C@H](CS)O)O,
2.7.1.12,,,,,,,,,
,Family. Representative Entry is ,1KO8,,,,,,,
,,,6PG:A:502,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,6PG:B:503,valid,,,,,C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O,
,,,MG:A:201,Part of Protein,,,,,[Mg+2],
,,1KO5,,,,,,,
,,,ATP:A:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,ATP:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,,MG:A:1001,Part of Protein,,,,,[Mg+2],
,,,MG:B:1002,Part of Protein,,,,,[Mg+2],
2.7.7.33,,,,,,,,,
,Family. Representative Entry is ,1WVC,,,,,,,
,,,CTP:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O,
,,,MG:A:402,Part of Protein,,,,,[Mg+2],
,,,MG:A:501,Part of Protein,,,,,[Mg+2],
,,,NI:A:403,Part of Protein,,,,,[Ni+2],
,,1TZF,,,,,,,
,,,C5G:A:401,valid,,,,,C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O,
,,,MG:A:403,Part of Protein,,,,,[Mg+2],
1.11.1.-,,,,,,,,,
,Family. Representative Entry is ,3HSS,,,,,,,
,,,ACT:A:269,invalid,,,,,CC(=O)[O-],
,,,EDO:A:264,invalid,,,,,C(CO)O,
,,,EDO:A:265,invalid,,,,,C(CO)O,
,,,EDO:A:266,invalid,,,,,C(CO)O,
,,,EDO:A:267,invalid,,,,,C(CO)O,
,,,EDO:A:270,invalid,,,,,C(CO)O,
,,,EDO:B:263,invalid,,,,,C(CO)O,
,,,MLA:A:5188,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:265,valid,,,,,C(C(=O)O)C(=O)O,
,,,MLA:B:5188,valid,,,,,C(C(=O)O)C(=O)O,
,,,NA:A:268,Part of Protein,,,,,[Na+],
,,,NA:B:264,Part of Protein,,,,,[Na+],
,,,TRS:A:263,invalid,,,,,C(C(CO)(CO)[NH3+])O,
2.5.1.128,,,,,,,,,
,Family. Representative Entry is ,5XNC,,,,,,,
,,,FE:G:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:406,Part of Protein,,,,,[Fe+3],
,,,FE:C:403,Part of Protein,,,,,[Fe+3],
,,,FE:E:403,Part of Protein,,,,,[Fe+3],
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:F:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:E:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:G:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,N4P:E:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:C:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:B:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:G:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:D:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:A:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:F:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,EDO:D:404,invalid,,,,,C(CO)O,
,,,EDO:E:404,invalid,,,,,C(CO)O,
,,,EDO:D:405,invalid,,,,,C(CO)O,
,,,PEG:A:407,invalid,,,,,C(COCCO)O,
,,,PEG:E:405,invalid,,,,,C(COCCO)O,
,,6J26,,,,,,,
,,,MTA:A:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,B5L:A:402,valid,,,,,C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+],
,,,B5L:B:402,valid,,,,,C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,5XNH,,,,,,,
,,,SPD:H:401,valid,,,,,C(CCNCCCN)CN,
,,,SPD:A:402,valid,,,,,C(CCNCCCN)CN,
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,Family. Representative Entry is ,6J27,,,,,,,
,,,PGE:A:404,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:403,invalid,,,,,C(COCCOCCO)O,
,,,PGE:D:403,invalid,,,,,C(COCCOCCO)O,
,,,PEG:B:407,invalid,,,,,C(COCCO)O,
,,,PEG:D:405,invalid,,,,,C(COCCO)O,
,,,PEG:A:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:406,invalid,,,,,C(COCCO)O,
,,,PEG:B:405,invalid,,,,,C(COCCO)O,
,,,PEG:D:404,invalid,,,,,C(COCCO)O,
,,,PEG:C:405,invalid,,,,,C(COCCO)O,
,,,PEG:B:404,invalid,,,,,C(COCCO)O,
,,,PEG:C:404,invalid,,,,,C(COCCO)O,
,,,MTA:A:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:D:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:401,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,N4P:C:403,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:B:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:A:403,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:D:402,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,FE:C:401,Part of Protein,,,,,[Fe+3],
,,,FE:A:401,Part of Protein,,,,,[Fe+3],
,,6J28,,,,,,,
,,,MES:C:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:404,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:403,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,N4P:C:401,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:A:401,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:B:401,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,N4P:D:401,valid,,,,,C(CCN(CCCN)CCCN)CN,
,,,MTA:D:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:B:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:C:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,MTA:A:402,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,FE:B:403,Part of Protein,,,,,[Fe+3],
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
3.2.2.3,,,,,,,,,
,Family. Representative Entry is ,2EUG,,,,,,,
,,,URA:A:230,valid,,,,,C1=CNC(=O)NC1=O,
,,1FLZ,,,,,,,
,,,URA:A:230,valid,,,,,C1=CNC(=O)NC1=O,
,,5EUG,,,,,,,
,,,URA:A:230,valid,,,,,C1=CNC(=O)NC1=O,
,Family. Representative Entry is ,1UDH,,,,,,,
,,,SO4:A:245,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:246,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,URA:A:247,valid,,,,,C1=CNC(=O)NC1=O,
,,1LAU,,,,,,,
,,,DT  DT  DT:D:1,valid,,,,,,
,,2C53,,,,,,,
,,,DUR:A:1245,valid,,,,,C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O,
,,,GOL:A:1246,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1247,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1248,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:1249,invalid,,,,,C(C(CO)O)O,
2.6.1.-,,,,,,,,,
,Family. Representative Entry is ,6L1O,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PMP:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,TYR:B:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,6L1L,,,,,,,
,,,PLP:A:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,6L1N,,,,,,,
,,,PLP:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:401,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,GLY:A:401,valid,,,,,C(C(=O)O)N,
,,,GLY:B:402,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,1GDE,,,,,,,
,,,GLU PLP:A:414,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])CCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,,,GLU PLP:A:914,valid,,,,,P(=O)(OCc1c(C[NH2+]C(C(=O)[O-])CCC(=O)[O-])c(O)c(C)nc1)([O-])[O-],
,Family. Representative Entry is ,1U08,,,,,,,
,,,PLP:A:400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:1400,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,4R5Z,,,,,,,
,,,PMP:D:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:B:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:C:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,PMP:A:402,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,,,GOL:C:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:404,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:408,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:405,invalid,,,,,C(C(CO)O)O,
,,,GOL:C:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:407,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:D:404,invalid,,,,,C(C(CO)O)O,
,,,SIN:D:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:C:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:A:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,SIN:B:401,valid,,,,,C(CC(=O)O)C(=O)O,
,,,EPE:B:409,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:C:407,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:407,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:409,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,4R2N,,,,,,,
,,,PLP:D:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:C:401,invalid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,EPE:C:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:D:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:A:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,EPE:B:403,invalid,,,,,C1CN(CCN1CCO)CCS(=O)(=O)O,
,,,PHE:C:402,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PHE:D:402,valid,,,,,c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,PLP PHE:A:401,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])Cc2ccccc2)c(O)c(C)nc1)([O-])[O-],
,,,PLP PHE:B:401,valid,,,,,P(=O)(OCc1c(C=NC(C(=O)[O-])Cc2ccccc2)c(O)c(C)nc1)([O-])[O-],
,Family. Representative Entry is ,5W71,,,,,,,
,,,CL:B:502,invalid,,,,,[Cl-],
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,9YM:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H]2C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)N)O,
,,2C81,,,,,,,
,,,PMP:A:1416,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CN)O,
,Family. Representative Entry is ,4FL0,,,,,,,
,,,PLP:A:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,,,PLP:B:501,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O,
,Family. Representative Entry is ,5G09,,,,,,,
,,,PGE:B:1475,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1480,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1476,invalid,,,,,C(COCCOCCO)O,
,,,PGE:B:1476,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1477,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1476,invalid,,,,,C(COCCOCCO)O,
,,,PGE:C:1477,invalid,,,,,C(COCCOCCO)O,
,,,PGE:A:1479,invalid,,,,,C(COCCOCCO)O,
,,,6DF:A:1475,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O,
,,,6DF:D:1476,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O,
,,,6DF:C:1475,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O,
,,,6DF:B:1474,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H](C)c2ccccc2)O,
,,,PG4:D:1480,invalid,,,,,C(COCCOCCOCCO)O,
,,,PG4:D:1475,invalid,,,,,C(COCCOCCOCCO)O,
,,,1PE:A:1478,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,PEG:D:1477,invalid,,,,,C(COCCO)O,
,,5G2Q,,,,,,,
,,,PDA:J:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:D:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:H:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:A:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:K:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:L:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:F:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:E:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:C:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:B:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:I:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
,,,PDA:G:1000,valid,,,,,Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O,
3.4.21.-,,,,,,,,,
,Family. Representative Entry is ,2B6N,,,,,,,
,,,ALA PRO THR:B:1,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C(O)C,
,,,CA:A:300,Part of Protein,,,,,[Ca+2],
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:302,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,6QFH,,,,,,,
,,,J08:A:301,valid,ic50,=,1.38,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,J08:B:303,valid,ic50,=,1.38,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,1L2E,,,,,,,
,,,BEN:A:299,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MG:A:333,invalid,,,,,[Mg+2],
,,3VFE,,,,,,,
,,,0HL:A:301,valid,,,,,[H]/N=C(c1cc(cs1)CN2CC[C@H](C2=O)N(Cc3ccsc3)S(=O)(=O)c4ccc5ccc(cc5c4)OC)/N,
,,6QH9,,,,,,,
,,,UNX:A:301,invalid,,,,,*,
,,,J3B:A:303,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)N,
,,,J3B:B:303,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)[C@@H]2CCCNC2=O)N,
,,,J2N:A:302,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)N,
,,,J2N:B:302,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)[C@H]2CCCNC2=O)N,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,6QHB,,,,,,,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,J2W:B:302,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)N,
,,,J2W:A:301,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OC)N,
,,6SKC,,,,,,,
,,,LH8:A:301,invalid,,,,,[H]/N=C(/c1ccc(cc1)[C@@H]2Cc3ccccc3B(O2)O)N,
,,,GOL:B:302,invalid,,,,,C(C(CO)O)O,
,,,BEN:B:301,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,1LO6,,,,,,,
,,,BEN:A:299,valid,,,,,[H]/N=C(c1ccccc1)/N,
,,,MG:A:443,invalid,,,,,[Mg+2],
,,6QFF,,,,,,,
,,,J08:A:301,valid,ic50,=,2.04,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,J08:B:302,valid,ic50,=,2.04,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,6QHC,,,,,,,
,,,DMS:B:301,invalid,,,,,CS(=O)C,
,,,135:A:302,valid,,,,,[H]/N=C(c1ccc(cc1)NC(=O)c2ccccc2O)/N,
,,,135:B:302,valid,,,,,[H]/N=C(c1ccc(cc1)NC(=O)c2ccccc2O)/N,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,4D8N,,,,,,,
,,,0HM:A:301,valid,ic50,=,1.8,uM,c1ccc(cc1)Cn2ccnc2C[n+]3cccc(c3C(=O)Nc4ccc(cc4)CN)O,
,,6QFG,,,,,,,
,,,J08:A:302,valid,ic50,=,3.01,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,J08:B:302,valid,ic50,=,3.01,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,GOL:B:301,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,,6QHA,,,,,,,
,,,J2Q:A:303,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)N,
,,,J2Q:B:303,valid,,,,,[H]/N=C(/c1ccc(cc1)NC(=O)c2cccc(c2O)OCC)N,
,,,UNX:B:301,invalid,,,,,*,
,,,UNX:B:302,invalid,,,,,*,
,,,UNX:A:302,invalid,,,,,*,
,,,GOL:A:301,invalid,,,,,C(C(CO)O)O,
,Family. Representative Entry is ,5OCA,,,,,,,
,,,NA:B:702,Part of Protein,,,,,[Na+],
,,,NA:B:701,Part of Protein,,,,,[Na+],
,,,TWD TWA:C:1,valid,Kd,=,180,uM,,
,Family. Representative Entry is ,3IB1,,,,,,,
,,,CO3:A:691,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:690,Part of Protein,,,,,[Fe+3],
,,,IMN:A:701,valid,Kd,=,260,uM,Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O,
,,,NAG:A:1,Part of Protein,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG NAG BMA:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)OC1OC1C(O)C(NC(=O)C)COC1CO)C,
,,,NAG NAG MAN MAN MAN MAN:C:1,Part of Protein,,,,,,
,,,SO4:A:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:302,Part of Protein,,,,,[Zn+2],
,,,ZN:A:303,Part of Protein,,,,,[Zn+2],
,,3IB2,,,,,,,
,,,CO3:A:691,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:1001,Part of Protein,,,,,[Fe+3],
,,,IBP:A:3960,valid,Kd,=,480,uM,CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O,
,,,NAG NAG:D:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:B:1,Part of Protein,,,,,,
,,,SO4:A:5,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:4,Part of Protein,,,,,[Zn+2],
,,,ZN:A:692,Part of Protein,,,,,[Zn+2],
,,3KJ7,,,,,,,
,,,CO3:A:85,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:84,Part of Protein,,,,,[Fe+3],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN:C:1,Part of Protein,,,,,,
,,,SO4:A:68,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:81,Part of Protein,,,,,[Zn+2],
,,,ZN:A:82,Part of Protein,,,,,[Zn+2],
,,,GLC BGC BGC:E:1,valid,,,,,O=CC(O)C(OC1C(O)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(CO)O1)C(O)CO,
,,3IAZ,,,,,,,
,,,AIN:A:1202,valid,Kd,=,330,uM,CC(=O)Oc1ccccc1C(=O)O,
,,,CO3:A:688,invalid,,,,,C(=O)([O-])[O-],
,,,EOH:A:702,invalid,,,,,CCO,
,,,FE:A:687,Part of Protein,,,,,[Fe+3],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN BMA BMA MAN:D:1,Part of Protein,,,,,,
,,,NAG NDG MAN BMA MAN:C:1,Part of Protein,,,,,,
,,,SO4:A:1001,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:787,Part of Protein,,,,,[Zn+2],
,,,ZN:A:788,Part of Protein,,,,,[Zn+2],
,,3K0V,,,,,,,
,,,CO3:A:85,invalid,,,,,C(=O)([O-])[O-],
,,,FE:A:84,Part of Protein,,,,,[Fe+3],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN:D:1,Part of Protein,,,,,,
,,,NAG NAG MAN:C:1,Part of Protein,,,,,,
,,,SO4:A:68,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:81,Part of Protein,,,,,[Zn+2],
,,,ZN:A:82,Part of Protein,,,,,[Zn+2],
,,,GLC GAL BGC:E:1,valid,,,,,,
,,3IB0,,,,,,,
,,,CO3:A:687,invalid,,,,,C(=O)([O-])[O-],
,,,DIF:A:701,valid,,,,,c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl,
,,,EOH:A:703,invalid,,,,,CCO,
,,,FE:A:999,Part of Protein,,,,,[Fe+3],
,,,NAG NAG:B:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG MAN MAN MAN:C:1,Part of Protein,,,,,O=C(NC1C(O)C(OC2C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(O)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(CO)OC1OC1C(O)C(NC(=O)C)C(O)OC1CO)C,
,,,NAG NAG MAN MAN MAN MAN:D:1,Part of Protein,,,,,,
,,,SO4:A:1,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:2,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,ZN:A:688,Part of Protein,,,,,[Zn+2],
,,,ZN:A:689,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,6U26,,,,,,,
,,,063:B:801,valid,,,,,C[C@]1(c2cc(c(cc2CCN1)OCCOCCNC(=O)[C@H](CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Oc3ccc(c(c3)F)c4ccc(cc4)C(=O)O)CC(=O)Nc5nccs5,
,,6U2N,,,,,,,
,,,PV7:B:801,valid,,,,,C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4,
,,6U2P,,,,,,,
,,,EDO:B:801,invalid,,,,,C(CO)O,
,,,EDO:B:803,invalid,,,,,C(CO)O,
,,,EDO:A:802,invalid,,,,,C(CO)O,
,,,EDO:A:801,invalid,,,,,C(CO)O,
,,,EDO:B:802,invalid,,,,,C(CO)O,
,,,PUV:B:804,valid,,,,,C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4,
,Family. Representative Entry is ,2OQ5,,,,,,,
,,,BEN:A:245,valid,,,,,[H]/N=C(c1ccccc1)/N,
,Family. Representative Entry is ,1O5E,,,,,,,
,,,132:H:256,valid,Ki,=,1.8,uM,c1ccc(cc1)c2cccc(c2O)c3cc4cc(c(cc4[nH]3)Cl)C(=[NH2+])N,
,,1P57,,,,,,,
,,,CR4:B:346,valid,Ki,=,40,uM,c1ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)[O-],
,Family. Representative Entry is ,6N4N,,,,,,,
,,,SO4:B:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:F:301,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1203,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1204,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TSV:A:1202,valid,,,,,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,TSV:B:1202,valid,,,,,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)n4cc5cccc(c5c4)F)C(=O)NS(=O)(=O)C6CC6,
,,,ZN:A:1201,Part of Protein,,,,,[Zn+2],
,,,ZN:B:1201,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,2Z9I,,,,,,,
,,,GLY ALA THR VAL:G:1,valid,,,,,O=C(NCC=O)CN,
,,,GLY ALA THR VAL:H:3,valid,,,,,O=C(NCC=O)CN,
,,,GLY ALA THR VAL:I:2,valid,,,,,O=C(NCC=O)CN,
,,,SER VAL GLU GLN VAL:D:408,invalid,,,,,,
,,,SER VAL GLU GLN VAL:E:408,invalid,,,,,,
,,,SER VAL GLU GLN VAL:F:407,invalid,,,,,,
,Family. Representative Entry is ,6QFE,,,,,,,
,,,NAG NAG:D:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG NAG:C:1,invalid,,,,,O=C(NC1C(O)C(OC2C(NC(=O)C)C(O)CC(CO)O2)C(CO)OC1O)C,
,,,NAG:A:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NAG:B:303,invalid,,,,,CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,NA:A:304,Part of Protein,,,,,[Na+],
,,,J08:A:305,valid,ic50,=,0.08,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,,,J08:B:305,valid,ic50,=,0.08,uM,[H]/N=C(/c1ccc(cc1OCc2cccnc2)NCc3[nH]c(cn3)c4ccccc4)N,
,Family. Representative Entry is ,1XF1,,,,,,,
,,,ACT:A:1107,invalid,,,,,CC(=O)[O-],
,,,ACT:B:1108,invalid,,,,,CC(=O)[O-],
,,,CA:A:1109,Part of Protein,,,,,[Ca+2],
,,,CA:B:1110,Part of Protein,,,,,[Ca+2],
,,,CIT:A:1101,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1103,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:A:1105,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1102,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1104,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,,CIT:B:1106,valid,,,,,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,Family. Representative Entry is ,1EXF,,,,,,,
,,,GLY:A:300,valid,,,,,C(C(=O)O)N,
,Family. Representative Entry is ,2ZGJ,,,,,,,
,,,SER SER GLY LYS VAL PRO LEU SER:B:2,valid,,,,,O=C([O-])C(NC(=O)C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CO)CCCC[NH3+])C(C)C)CCC1)CC(C)C)CO,
,,,SO4:A:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:244,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2ZGH,,,,,,,
,,,SER SER GLY LYS VAL PRO LEU:B:2,valid,,,,,O=C([O-])C(NC(=O)C1N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C(N)CO)CCCC[NH3+])C(C)C)CCC1)CC(C)C,
,,,SO4:A:241,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:242,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:243,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:244,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:245,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,2BDG,,,,,,,
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:B:403,invalid,,,,,[Cl-],
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NA:A:402,Part of Protein,,,,,[Na+],
,,,NI:A:405,Part of Protein,,,,,[Ni+2],
,,,NI:A:408,Part of Protein,,,,,[Ni+2],
,,,NI:B:406,Part of Protein,,,,,[Ni+2],
,,,NI:B:407,Part of Protein,,,,,[Ni+2],
,,,PBZ:A:301,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,,,PBZ:B:302,valid,,,,,c1cc(ccc1C(=[NH2+])N)N,
,Family. Representative Entry is ,3TJV,,,,,,,
,,,PRO THR SER TYR ALA GLY ASP ASP SER GLY:B:1,valid,,,,,O=C(NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C=O)CO)CC(=O)[O-])CC(=O)[O-])C)Cc1ccc(O)cc1)CO)C(NC(=O)C1[NH2+]CCC1)C(O)C,
,,,SO4:A:276,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:277,invalid,,,,,[O-]S(=O)(=O)[O-],
2.7.1.112,,,,,,,,,
,Family. Representative Entry is ,3VHE,,,,,,,
,,,42Q:A:1170,valid,ic50,=,6.2,nM,Cn1ccc2c1c(ncn2)Oc3ccc(c(c3)F)NC(=O)Nc4cccc(c4)C(F)(F)F,
,,1Y6B,,,,,,,
,,,AAX:A:201,valid,ic50,=,38,nM,COc1ccc(cc1Nc2ncc(o2)c3cccc(c3)c4cccnc4)S(=O)(=O)NCC5CC5,
,,1Y6A,,,,,,,
,,,AAZ:A:201,valid,ic50,=,0.022,uM,CCS(=O)(=O)c1ccc(c(c1)Nc2ncc(o2)c3cccc(c3)c4ccccn4)OC,
,Family. Representative Entry is ,1IR3,,,,,,,
,,,ANP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:301,Part of Protein,,,,,[Mg+2],
,,,MG:A:302,Part of Protein,,,,,[Mg+2],
,Family. Representative Entry is ,1U59,,,,,,,
,,,STU:A:100,valid,ic50,=,55.8,nM,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,Family. Representative Entry is ,1O44,,,,,,,
,,,852:A:300,valid,ic50,=,3,nM,CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)C(C(=O)O)C(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1O48,,,,,,,
,,,853:A:300,valid,ic50,=,450,nM,CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)O)CC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1O4N,,,,,,,
,,,OXD:A:109,valid,ic50,>,40,mM,C(=O)(C(=O)O)O,
,,1O4G,,,,,,,
,,,I59:A:300,valid,ic50,>,5,mM,c1ccc2c(c1)cccc2[C@@H](O)P(=O)(O)O,
,,1SHD,,,,,,,
,,,ACE PTR GLU GLU ILE GLU:B:100,valid,ic50,=,0.67,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NC(C=O)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])cc1)([O-])[O-],
,,1O4O,,,,,,,
,,,HPS:A:300,valid,ic50,=,3.5,mM,c1ccc(cc1)OP(=O)(O)O,
,,,HPS:A:400,valid,ic50,=,3.5,mM,c1ccc(cc1)OP(=O)(O)O,
,,1A08,,,,,,,
,,,ACE FTY GLU DIP:C:100,valid,Kd,=,2.4,uM,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1,
,,,ACE FTY GLU DIP:D:100,valid,Kd,=,2.4,uM,P(=O)([O-])([O-])C(F)(F)c1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1,
,,1A07,,,,,,,
,,,ACE PTR GLU DIP:C:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,,ACE PTR GLU DIP:D:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,1A1B,,,,,,,
,,,ACE PTR GLU DIP:C:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,,ACE PTR GLU DIP:D:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,1NZV,,,,,,,
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,PG4:A:3000,invalid,,,,,C(COCCOCCOCCO)O,
,,,PRO GLN PTR ILE PTR VAL PRO ALA:C:498,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCC(=O)N)Cc2ccc(OP(=O)([O-])[O-])cc2)C(CC)C)C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])C)CCC2)C(C)C)cc1)([O-])[O-],
,,1O4L,,,,,,,
,,,CIT:A:300,valid,ic50,>,40,mM,C(C(=O)O)C(CC(=O)O)(C(=O)O)O,
,,1SHA,,,,,,,
,,,PTR VAL PRO MET LEU:B:201,valid,,,,,S(CCC(NC(=O)C1N(C(=O)C(NC(=O)C([NH3+])Cc2ccc(OP(=O)([O-])[O-])cc2)C(C)C)CCC1)C(=O)NC(C(=O)[O-])CC(C)C)C,
,,1F1W,,,,,,,
,,,SER PTR VAL ASN VAL GLN ASN:B:316,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C([NH3+])CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(=O)N)CCC(=O)N)C(C)C)CC(=O)N)C(C)C)cc1)([O-])[O-],
,,1O4P,,,,,,,
,,,791:A:300,valid,ic50,=,2.5,mM,c1ccc(cc1)C(C(=O)O)C(=O)O,
,,1O49,,,,,,,
,,,493:A:300,valid,ic50,=,437,nM,CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)OCC(=O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1O47,,,,,,,
,,,822:A:300,valid,ic50,=,4,nM,CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1A1A,,,,,,,
,,,ACE PTH GLU DIP:C:100,valid,,,,,P(=O)(Oc1c(C=O)cc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,,ACE PTH GLU DIP:D:100,valid,,,,,P(=O)(Oc1c(C=O)cc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCCC)CCCCC)CCC(=O)[O-])cc1)([O-])[O-],
,,1SHB,,,,,,,
,,,PTR LEU ARG VAL ALA:B:201,valid,,,,,P(=O)(Oc1ccc(CC([NH3+])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C)C(C)C)CCCNC(=[NH2+])N)CC(C)C)cc1)([O-])[O-],
,,1O4B,,,,,,,
,,,876:A:300,valid,ic50,=,2000,nM,CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1IS0,,,,,,,
,,,AY0 GLU GLU ILE:C:252,valid,Kd,=,0.1,uM,P(=O)(Oc1ccc(C2C(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)[CH-][O-])CCC(=O)[O-])CCC(=O)[O-])C2C(=O)NC)cc1)([O-])[O-],
,,,AY0 GLU GLU ILE:D:352,valid,Kd,=,0.1,uM,P(=O)(Oc1ccc(C2C(C(=O)NC(C(=O)NC(C(=O)NC(C(CC)C)[CH-][O-])CCC(=O)[O-])CCC(=O)[O-])C2C(=O)NC)cc1)([O-])[O-],
,,1A1E,,,,,,,
,,,ACE PTR GLU DIY:C:100,valid,Kd,=,1,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N2CC(CCCC)CCC2)CCC(=O)[O-])cc1)([O-])[O-],
,,,ACE PTR GLU DIY:D:100,valid,Kd,=,1,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N2CC(CCCC)CCC2)CCC(=O)[O-])cc1)([O-])[O-],
,,4F5B,,,,,,,
,,,PTR:A:301,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O,
,,1O4J,,,,,,,
,,,IS2:A:300,valid,ic50,=,4.4,mM,CCc1ccc(cc1)NC(=O)P(=O)(O)O,
,,1BKM,,,,,,,
,,,1C5:A:113,valid,,,,,CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCC2CCCCC2)C(=O)N,
,,1O4Q,,,,,,,
,,,256:A:300,valid,ic50,=,3.2,mM,c1ccc(cc1)[C@H](C(=O)O)S(=O)(=O)O,
,,1SKJ,,,,,,,
,,,UR2:A:113,valid,ic50,=,7,uM,CN(CCCC1CCCCC1)C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)OP(=O)(O)O)CC(=O)O,
,,1A1C,,,,,,,
,,,ACE PTR GLU DIX:C:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCC2CCCC2)C)CCC(=O)[O-])cc1)([O-])[O-],
,,,ACE PTR GLU DIX:D:100,valid,Kd,=,0.4,uM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)N(CCCC2CCCC2)C)CCC(=O)[O-])cc1)([O-])[O-],
,,1O4H,,,,,,,
,,,772:A:300,valid,ic50,=,3.6,mM,c1cc2ccc(nc2c(c1)OP(=O)(O)O)C#N,
,,1P13,,,,,,,
,,,CAC:A:351,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:A:398,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:352,invalid,,,,,C[As](=O)(C)[O-],
,,,CAC:B:399,invalid,,,,,C[As](=O)(C)[O-],
,,,CYS ASP PTR ALA ASN PHE LYS:C:1,valid,,,,,SCC([NH3+])C(=O)NC(C=O)CC(=O)[O-].P(=O)(Oc1ccc(CC([NH3+])C=O)cc1)([O-])[O-].O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)Cc1ccccc1)CCCC[NH3+],
,,,CYS ASP PTR ALA ASN PHE LYS:D:1,valid,,,,,SCC([NH3+])C(=O)NC(C=O)CC(=O)[O-].P(=O)(Oc1ccc(CC([NH3+])C=O)cc1)([O-])[O-].O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C([NH3+])C)CC(=O)N)Cc1ccccc1)CCCC[NH3+],
,,1KC2,,,,,,,
,,,CO:A:2000,Part of Protein,,,,,[Co+2],
,,,PRO GLN PTR GLU GLU ILE PRO ILE:B:302,valid,Kd,=,0.21,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])C(CC)C)CCC2)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])cc1)([O-])[O-],
,,1O4R,,,,,,,
,,,787:A:300,valid,ic50,=,3.9,mM,c1ccc(cc1)C(P(=O)(O)O)P(=O)(O)O,
,,1O46,,,,,,,
,,,903:A:300,valid,ic50,=,10,nM,CC(=O)N[C@@H](Cc1ccc(c(c1)C(=O)OC)C(C(=O)O)(C(=O)O)F)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,,1NZL,,,,,,,
,,,CL:A:2000,invalid,,,,,[Cl-],
,,,CL:A:2001,invalid,,,,,[Cl-],
,,,PG4:A:3000,invalid,,,,,C(COCCOCCOCCO)O,
,,,PRO GLN PTR GLU PTR ILE PRO ALA:C:498,valid,Kd,=,0.07,uM,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2[NH2+]CCC2)CCC(=O)N)Cc2ccc(OP(=O)([O-])[O-])cc2)CCC(=O)[O-])C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)[O-])C)CCC2)C(CC)C)cc1)([O-])[O-],
,,1O4M,,,,,,,
,,,MLA:A:300,valid,ic50,>,40,mM,C(C(=O)O)C(=O)O,
,,1O4F,,,,,,,
,,,790:A:300,valid,ic50,=,0.3,mM,c1cc2c(c(c1)OP(=O)(O)O)NCCC2,
,,1O42,,,,,,,
,,,843:A:300,valid,ic50,=,9,nM,CC(=O)N[C@@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O)N[C@H]2CCCCN(C2=O)Cc3ccc(cc3)c4ccccc4,
,Family. Representative Entry is ,1OPK,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,MYR:A:1,valid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,P16:A:2,valid,,,,,CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl,
,,5MO4,,,,,,,
,,,AY7:A:602,valid,,,,,c1cc(ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4ccn[nH]4)OC(F)(F)Cl,
,,,NIL:A:601,valid,,,,,Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)n5cc(nc5)C)C(F)(F)F,
,,2FO0,,,,,,,
,,,GOL:A:3,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:4,invalid,,,,,C(C(CO)O)O,
,,,MYR:A:1,invalid,,,,,CCCCCCCCCCCCCC(=O)O,
,,,P16:A:2,valid,,,,,CN1c2c(cnc(n2)Nc3cccc(c3)CO)C=C(C1=O)c4c(cccc4Cl)Cl,
,Family. Representative Entry is ,3NW7,,,,,,,
,,,LGV:A:1,valid,ic50,=,5.3,nM,c1cc2c(nc(nn2c1)CNC(=O)c3ccc(nc3)F)Nc4cc(n[nH]4)C5CC5,
,,3D94,,,,,,,
,,,CA:A:2,Part of Protein,,,,,[Ca+2],
,,,D94:A:1,valid,Ki,=,157,nM,CN1CCN(CC1)C2CC(C2)c3nc(c4n3ccnc4N)c5ccc6ccc(nc6c5)c7ccccc7,
,,2OJ9,,,,,,,
,,,BMI:A:301,valid,ic50,=,0.39,uM,Cc1cc(cc2c1[nH]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5,
,,3I81,,,,,,,
,,,EBI:A:201,valid,ic50,=,13,nM,C[C@]1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=O)Nc6ccc(nc6)F,
,,5HZN,,,,,,,
,,,MES:F:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:D:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:E:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:A:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:C:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:G:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:B:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,MES:H:1302,invalid,,,,,C1COCC[NH+]1CCS(=O)(=O)[O-],
,,,66A:A:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:C:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:F:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:G:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:E:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:H:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:D:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,66A:B:1301,valid,ic50,=,0.061,uM,c1ccc(cc1)COc2cccc(c2)c3cn(c4c3c(ncn4)N)C5CC(C5)CN6CCC6,
,,,SO4:C:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:E:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:G:1303,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D2R,,,,,,,
,,,CL:A:2287,invalid,,,,,[Cl-],
,,,DYK:A:2288,valid,ic50,=,3.3,uM,CN1CCC(CC1)Oc2ccc(c(c2)OC)Nc3nccc(n3)c4c[nH]c5c4ccnc5,
,,3O23,,,,,,,
,,,MQY:A:1,valid,ic50,=,0.5,uM,C[C@H]1C(=O)N(C(=O)N1Cc2ccnc3c2cccc3)c4ccc(cc4)S(=O)(=O)C(F)(F)F,
,,3NW6,,,,,,,
,,,LGW:A:1,valid,ic50,=,7,nM,c1cc2c(nc(nn2c1)[C@@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6,
,,3NW5,,,,,,,
,,,LGX:A:1,valid,ic50,=,8400,nM,c1cc2c(nc(nn2c1)[C@H]3CCCN3C(=O)c4ccc(nc4)F)Nc5cc([nH]n5)C6CC6,
,,2ZM3,,,,,,,
,,,575:A:1,valid,Kd,=,0.614,uM,c1cc(ccc1CN2CCCC2)NC=C/3c4cc(ccc4C(=O)NC3=O)Br,
,,,575:B:1,valid,Kd,=,0.614,uM,c1cc(ccc1CN2CCCC2)NC=C/3c4cc(ccc4C(=O)NC3=O)Br,
,,,575:C:1,valid,Kd,=,0.614,uM,c1cc(ccc1CN2CCCC2)NC=C/3c4cc(ccc4C(=O)NC3=O)Br,
,,,575:D:1,valid,Kd,=,0.614,uM,c1cc(ccc1CN2CCCC2)NC=C/3c4cc(ccc4C(=O)NC3=O)Br,
,,1JQH,,,,,,,
,,,ANP:A:301,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:B:302,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,ANP:C:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:304,invalid,,,,,[Mg+2],
,,,SO4:A:305,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:307,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:C:306,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,3VRY,,,,,,,
,,,B43:A:601,valid,ic50,=,7.7,nM,c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,,B43:B:602,valid,ic50,=,7.7,nM,c1ccc(cc1)Oc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CA:A:603,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,2C0I,,,,,,,
,,,CA:A:1507,Part of Protein,,,,,[Ca+2],
,,,CA:B:1507,Part of Protein,,,,,[Ca+2],
,,,L1G:A:1506,valid,,,,,Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N,
,,,L1G:B:1506,valid,,,,,Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N,
,,3VRZ,,,,,,,
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,VRZ:B:603,valid,,,,,c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,,VRZ:A:603,valid,,,,,c1ccc(cc1)CNC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,1QCF,,,,,,,
,,,PP1:A:532,valid,,,,,Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N,
,,5H0B,,,,,,,
,,,OOQ:A:601,valid,ic50,=,11,nM,CC(C)C[C@@H](C(=O)[O-])[NH2+]C1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5,
,,5H09,,,,,,,
,,,OOO:A:601,valid,ic50,=,1323,nM,CCOC(=O)[C@H](CC(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5,
,,3VS3,,,,,,,
,,,CA:B:602,invalid,,,,,[Ca+2],
,,,CA:A:602,Part of Protein,,,,,[Ca+2],
,,,VSE:B:601,valid,,,,,CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6,
,,,VSE:A:601,valid,,,,,CN1CCN(CC1)C2CCC(CC2)n3cc(c4c3ncnc4N)c5ccc(cc5)Oc6ccccc6,
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CL:B:603,invalid,,,,,[Cl-],
,,2C0T,,,,,,,
,,,CA:A:1507,Part of Protein,,,,,[Ca+2],
,,,CA:A:1508,Part of Protein,,,,,[Ca+2],
,,,CA:B:1507,Part of Protein,,,,,[Ca+2],
,,,CA:B:1508,Part of Protein,,,,,[Ca+2],
,,,L3G:A:1506,valid,,,,,Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N,
,,,L3G:B:1506,valid,,,,,Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(ncnc5n(n4)C6CCN(CC6)C7CCOCC7)N,
,,3VS1,,,,,,,
,,,CL:B:603,invalid,,,,,[Cl-],
,,,CL:A:603,invalid,,,,,[Cl-],
,,,CA:A:601,invalid,,,,,[Ca+2],
,,,CA:B:601,Part of Protein,,,,,[Ca+2],
,,,VSA:A:602,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,,VSA:B:602,valid,,,,,c1ccc(cc1)NC(=O)Nc2ccc(cc2)c3cn(c4c3c(ncn4)N)C5CCCC5,
,,3VS6,,,,,,,
,,,CA:B:604,Part of Protein,,,,,[Ca+2],
,,,CA:A:601,Part of Protein,,,,,[Ca+2],
,,,CA:A:604,invalid,,,,,[Ca+2],
,,,CA:B:601,invalid,,,,,[Ca+2],
,,,CL:B:602,invalid,,,,,[Cl-],
,,,CL:A:602,invalid,,,,,[Cl-],
,,,VSH:A:603,valid,,,,,CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N,
,,,VSH:B:603,valid,,,,,CC(C)n1c2c(c(n1)c3ccc(c(c3)OC)NC(=O)OC(C)(C)C)c(ncn2)N,
,,5H0H,,,,,,,
,,,OOV:A:601,valid,ic50,=,686,nM,CC(C)C[C@@H](C(=O)N(C)C)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5,
,,5H0G,,,,,,,
,,,OOU:A:601,valid,ic50,=,111,nM,CC(C)C[C@@H](C(=O)NC)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5,
,,5H0E,,,,,,,
,,,OOS:A:601,valid,ic50,=,210,nM,CC(C)C[C@@H](C(=O)N)NC1CCC(CC1)n2cc(c3c2ncnc3N)c4ccc(cc4)Oc5ccccc5,
,Family. Representative Entry is ,1Y57,,,,,,,
,,,MPZ:A:600,valid,ic50,=,1633,nM,CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3cccc(c3)Nc4nccc(n4)c5cccnc5,
,,,SO4:A:535,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:536,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:537,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:538,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:539,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2SRC,,,,,,,
,,,ANP:A:1,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,6F3F,,,,,,,
,,,MG:A:602,Part of Protein,,,,,[Mg+2],
,,,ADP:A:601,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,Family. Representative Entry is ,6GCX,,,,,,,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:703,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,EUW:A:701,valid,ic50,=,0.6,nM,CCC(=O)NCCNC1=C(C(=O)C1=O)NCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl,
,,1MP8,,,,,,,
,,,ADP:A:800,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N,
,,6GCW,,,,,,,
,,,EUQ:B:701,valid,ic50,=,4.7,nM,CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl,
,,,EUQ:A:701,valid,ic50,=,4.7,nM,CCC(=O)NCCn1cc(nn1)CNCc2ccc(cc2)Nc3ncc(c(n3)Nc4ccccc4C(=O)NC)Cl,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JKK,,,,,,,
,,,BI9:A:1686,valid,ic50,=,6.24,nM,CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl,
,,,SO4:A:1685,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4K9Y,,,,,,,
,,,K9Y:A:701,valid,Kd,=,0.111,uM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)n4cnc5c4ncnc5N,
,,4Q9S,,,,,,,
,,,30G:A:701,valid,ic50,=,156,uM,c1ccc2c(c1)N3CC(=O)NN=C3CO2,
,,4D5H,,,,,,,
,,,SO4:A:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1687,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1689,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,9RM:A:1687,valid,,,,,CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F,
,,4D4V,,,,,,,
,,,KB8:B:1691,valid,,,,,Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCNCC3,
,,,DMS:A:1687,invalid,,,,,CS(=O)C,
,,,DMS:A:1688,invalid,,,,,CS(=O)C,
,,,DMS:B:1687,invalid,,,,,CS(=O)C,
,,,SO4:B:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1690,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1689,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1689,invalid,,,,,[O-]S(=O)(=O)[O-],
,,6I8Z,,,,,,,
,,,H82:A:701,valid,ic50,=,17,nM,C[NH+]1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ncc(c(n3)Oc4cccc5c4C(=O)CC5)C(F)(F)F,
,,4GU6,,,,,,,
,,,10N:A:701,valid,Kd,=,44,nM,CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C,
,,,10N:B:701,valid,Kd,=,44,nM,CN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C,
,,4KAO,,,,,,,
,,,KAO:A:701,valid,Kd,=,0.77,uM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4,
,,,KAO:B:701,valid,Kd,=,0.77,uM,Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3ccc(cc3)c4cccnc4,
,,,SO4:A:702,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2JKM,,,,,,,
,,,BII:A:1687,valid,ic50,=,17.76,nM,CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CC[C@H](C4)NC)Cl,
,,3BZ3,,,,,,,
,,,YAM:A:1,valid,ic50,=,1.5,nM,CN(c1c(cccn1)CNc2c(cnc(n2)Nc3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C,
,,4GU9,,,,,,,
,,,4GU:A:701,valid,Kd,=,43,uM,c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F,
,,,4GU:B:701,valid,Kd,=,43,uM,c1ccc(c(c1)Nc2c3cn[nH]c3ncn2)F,
,,4EBV,,,,,,,
,,,0O7:A:700,valid,ic50,=,0.99,uM,CCc1ccc(cc1)c2ccc3c(c2)-c4c(c[nH]n4)S(=O)(=O)N3C,
,,,IPA:A:701,invalid,,,,,CC(C)O,
,,,IPA:A:702,invalid,,,,,CC(C)O,
,,2JKO,,,,,,,
,,,BIJ:A:1687,valid,ic50,=,7.7,nM,CN1CCN(CC1)c2ccc(c(c2)OC)/N=C3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl,
,,4I4E,,,,,,,
,,,1BQ:A:1000,valid,ic50,=,0.5,uM,CN1c2ccc(cc2-c3c(cn[nH]3)S1(=O)=O)c4ccc(cc4)C(=O)N5CCC(CC5)CCO,
,,2J0L,,,,,,,
,,,ANP:A:1689,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N,
,,,MG:A:1688,Part of Protein,,,,,[Mg+2],
,,,SO4:A:1687,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4I4F,,,,,,,
,,,IPA:A:701,invalid,,,,,CC(C)O,
,,,1BR:A:702,valid,ic50,=,0.64,uM,CC(C)(C)c1ccc(cc1)CNc2ccc3c(c2)-c4c(cnn4C)S(=O)(=O)N3C,
,,4BRX,,,,,,,
,,,KGW:A:1685,valid,ic50,=,0.32,uM,CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3ccc(cc3OC)N4CCOCC4,
,,,SO4:A:1686,invalid,,,,,[O-]S(=O)(=O)[O-],
,,4D4S,,,,,,,
,,,DMS:B:1689,invalid,,,,,CS(=O)C,
,,,DMS:A:1689,invalid,,,,,CS(=O)C,
,,,SO4:A:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1687,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:1687,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BI9:B:1690,valid,,,,,CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl,
,,4D58,,,,,,,
,,,SO4:B:1687,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1689,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:1688,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,BI9:B:1690,valid,,,,,CNC(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl,
,,4C7T,,,,,,,
,,,5RI:A:1685,valid,ic50,=,0.4,uM,CNC(=O)c1ccccc1Nc2ncnc(n2)Nc3cc(c(c(c3)OC)OC)OC,
,,,SO4:A:1686,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1FYN,,,,,,,
,,,PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO:B:1,valid,,,,,O=C(NC(C(=O)N1C(C(=O)N2C(C(=O)N3C(C(=O)N4C(C(=O)NC(C(=O)N5C(C(=O)[O-])CCC5)C(C)C)CCC4)CCC3)CCC2)CCC1)Cc1ccc(O)cc1)C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C,
,Family. Representative Entry is ,1BYG,,,,,,,
,,,STU:A:501,valid,,,,,C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC,
,Family. Representative Entry is ,1ABO,,,,,,,
,,,ALA PRO THR MET PRO PRO PRO LEU PRO PRO:C:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C(O)C)C(=O)N1C(C(=O)N2C(C(=O)N3C(C(=O)NC(C(=O)N4C(C(=O)N5C(C(=O)[O-])CCC5)CCC4)CC(C)C)CCC3)CCC2)CCC1)C,
,,,ALA PRO THR MET PRO PRO PRO LEU PRO PRO:D:1,valid,,,,,S(CCC(NC(=O)C(NC(=O)C1N(C(=O)C([NH3+])C)CCC1)C(O)C)C(=O)N1C(C(=O)N2C(C(=O)N3C(C(=O)NC(C(=O)N4C(C(=O)N5C(C(=O)[O-])CCC5)CCC4)CC(C)C)CCC3)CCC2)CCC1)C,
,,,SO4:A:410,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:411,invalid,,,,,[O-]S(=O)(=O)[O-],
,Family. Representative Entry is ,1LKK,,,,,,,
,,,ACE PTR GLU GLU ILE ACE:B:251,valid,Kd,=,140,nM,P(=O)(Oc1ccc(CC(NC=O)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])C(CC)C)CCC(=O)[O-])CCC(=O)[O-])cc1)([O-])[O-].C[CH2-],
,,1BHF,,,,,,,
,,,ACE 1PA GLU GLU ILE:I:251,valid,Kd,=,42,uM,O=C([O-])C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)Cc1ccc(CC(=O)[O-])cc1)CCC(=O)[O-])CCC(=O)[O-])C(CC)C,
,,1CWD,,,,,,,
,,,PRO GLU GLY ASP PM3 GLU GLU VAL LEU:P:2,valid,,,,,P(=O)([O-])([O-])Cc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C(N)CCC(=O)[O-])CC(=O)[O-])C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)[O-])CC(C)C)C(C)C)CCC(=O)[O-])CCC(=O)[O-])cc1,
,,1LKL,,,,,,,
,,,ACE PTR GLU GLU GLY:B:251,valid,Kd,=,1540,nM,P(=O)(Oc1ccc(CC(NC(=O)C)C(=O)NC(C(=O)NC(C(=O)NCC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])cc1)([O-])[O-],
,,1FBZ,,,,,,,
,,,CC1:A:150,valid,,,,,CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N,
,,,CC1:B:350,valid,,,,,CC(=O)N[C@@H](Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O)C(=O)N[C@H]2CCCCc3c2cc(c(c3)OCC4CCCCC4)C(=O)N,
,,1IJR,,,,,,,
,,,CC0:A:150,valid,,,,,C[C@@H](c1ccc(c(c1)C(=O)N)OCC2CCCCC2)NC(=O)[C@H](Cc3ccc(c(c3)P(=O)(O)O)OCC(=O)O)NC(=O)C,
,,1CWE,,,,,,,
,,,ACE GLN PM3 GLU GLU ILE PRO:B:201,valid,,,,,P(=O)([O-])([O-])Cc1ccc(CC(NC(=O)C(N)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])cc1,
,,,ACE GLN PM3 GLU GLU ILE PRO:D:201,valid,,,,,P(=O)([O-])([O-])Cc1ccc(CC(NC(=O)C(N)CCC(=O)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C(C(=O)[O-])CCC2)C(CC)C)CCC(=O)[O-])CCC(=O)[O-])cc1,
,Family. Representative Entry is ,1K3A,,,,,,,
,,,ACP:A:300,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N,
,Family. Representative Entry is ,1B55,,,,,,,
,,,4IP:A:171,valid,Kd,=,40,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:172,valid,Kd,=,40,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,ZN:A:1,Part of Protein,,,,,[Zn+2],
,,,ZN:B:171,Part of Protein,,,,,[Zn+2],
,,1BWN,,,,,,,
,,,4IP:A:1,valid,Kd,=,87,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:A:172,valid,Kd,=,87,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:1,valid,Kd,=,87,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,4IP:B:172,valid,Kd,=,87,nM,[C@H]1([C@H](C([C@H]([C@H](C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O,
,,,ZN:A:171,Part of Protein,,,,,[Zn+2],
,,,ZN:B:171,Part of Protein,,,,,[Zn+2],
,,4Y94,,,,,,,
,,,IHP:D:201,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:D:202,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:A:502,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:B:201,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:A:501,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,IHP:C:201,valid,Kd,=,238,nM,C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O,
,,,ZN:A:503,Part of Protein,,,,,[Zn+2],
,,,ZN:B:202,Part of Protein,,,,,[Zn+2],
,,,ZN:C:202,Part of Protein,,,,,[Zn+2],
,,,ZN:D:203,Part of Protein,,,,,[Zn+2],
,Family. Representative Entry is ,1LCK,,,,,,,
,,,GLU GLY GLN PTR GLN PRO GLN PRO ALA:B:502,valid,,,,,P(=O)(Oc1ccc(CC(NC(=O)C(NC(=O)CNC(=O)C([NH3+])CCC(=O)[O-])CCC(=O)N)C(=O)NC(C(=O)N2C(C(=O)NC(C(=O)N3C(C(=O)NC(C(=O)[O-])C)CCC3)CCC(=O)N)CCC2)CCC(=O)N)cc1)([O-])[O-],
6.1.1.1,,,,,,,,,
,Family. Representative Entry is ,2CYB,,,,,,,
,,,TYR:B:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,5N5U,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CL:A:404,invalid,,,,,[Cl-],
,,,CL:A:405,invalid,,,,,[Cl-],
,,,AMP:A:401,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N,
,,,7N8:A:402,valid,,,,,B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)O,
,,4NX2,,,,,,,
,,,2LT:A:401,valid,,,,,c1c(cc(c(c1Cl)O)Cl)C[C@@H](C(=O)O)N,
,,3QE4,,,,,,,
,,,4CF:A:313,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)C#N,
,,,4CF:B:313,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)C#N,
,,4NDA,,,,,,,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,NIY:A:401,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,NA:A:404,Part of Protein,,,,,[Na+],
,,3D6V,,,,,,,
,,,BME:A:401,invalid,,,,,C(CS)O,
,,,TFQ:A:400,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)CC(F)(F)F,
,,2AG6,,,,,,,
,,,4BF:A:315,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)Br,
,,3D6U,,,,,,,
,,,BME:A:316,invalid,,,,,C(CS)O,
,,,T11:A:315,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)C2(NN2)C(F)(F)F,
,,4PBT,,,,,,,
,,,P4G:A:401,invalid,,,,,CCOCCOCCOCC,
,,,2LQ:A:403,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)NC(=O)[C@@H]2CCC/C=C/CC2,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,2HGZ,,,,,,,
,,,PBF:A:308,valid,,,,,c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)N,
,,4PBR,,,,,,,
,,,PEG:A:402,invalid,,,,,C(COCCO)O,
,,,GOL:A:403,invalid,,,,,C(C(CO)O)O,
,,,2L7:A:401,valid,,,,,CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br,
,,5L7P,,,,,,,
,,,CL:A:403,invalid,,,,,[Cl-],
,,,CA:A:402,Part of Protein,,,,,[Ca+2],
,,,1PE:A:401,invalid,,,,,C(COCCOCCOCCOCCO)O,
,,,BUU:B:401,valid,,,,,c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N)[N+](=O)[O-],
,,2PXH,,,,,,,
,,,BP5:A:308,valid,,,,,c1ccnc(c1)c2ccc(cn2)C[C@@H](C(=O)O)N,
,,5NSF,,,,,,,
,,,CA:A:403,Part of Protein,,,,,[Ca+2],
,,,CA:B:403,Part of Protein,,,,,[Ca+2],
,,,CA:A:404,Part of Protein,,,,,[Ca+2],
,,,PG4:A:405,invalid,,,,,C(COCCOCCOCCO)O,
,,,96Z:D:401,valid,,,,,C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N,
,,,96Z:B:401,valid,,,,,C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N,
,,,96Z:A:401,valid,,,,,C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N,
,,,96Z:C:401,valid,,,,,C1C=CC2=CCC(=C2C=C1)C[C@@H](C(=O)O)N,
,,,GOL:B:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,3N2Y,,,,,,,
,,,TEF:A:315,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2,
,,,TEF:B:315,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2,
,,6WRN,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NIY:A:402,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,1ZH6,,,,,,,
,,,4AF:A:315,valid,,,,,CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N,
,,,BME:A:402,invalid,,,,,C(CS)O,
,,,BME:A:403,invalid,,,,,C(CS)O,
,,4PBS,,,,,,,
,,,2L7:A:401,valid,,,,,CC(C)(C(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N)Br,
,,6WRK,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NIY:A:404,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,NIY:A:405,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:406,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,1ZH0,,,,,,,
,,,NAL:A:315,valid,,,,,c1ccc2cc(ccc2c1)C[C@@H](C(=O)O)N,
,,,TRS:A:316,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,6WRQ,,,,,,,
,,,NA:A:403,Part of Protein,,,,,[Na+],
,,,NIY:A:404,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,NIY:A:405,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,GOL:A:402,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:401,invalid,,,,,C(C(CO)O)O,
,,6WRT,,,,,,,
,,,NA:A:401,Part of Protein,,,,,[Na+],
,,,NIY:A:402,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,,,NIY:A:403,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)[N+](=O)[O-])O,
,Family. Representative Entry is ,2CYC,,,,,,,
,,,TYR:A:701,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:801,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,1X8X,,,,,,,
,,,SO4:A:951,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYR:A:952,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,1WQ4,,,,,,,
,,,TYR:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,2YXN,,,,,,,
,,,AZY:A:501,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)N=[N+]=[N-])O,
,,1WQ3,,,,,,,
,,,IYR:A:501,valid,,,,,c1cc(c(cc1C[C@@H](C(=O)O)N)I)O,
,Family. Representative Entry is ,1Q11,,,,,,,
,,,GOL:A:601,invalid,,,,,C(C(CO)O)O,
,,,GOL:A:602,invalid,,,,,C(C(CO)O)O,
,,,K:A:701,Part of Protein,,,,,[K+],
,,,PO4:A:501,invalid,,,,,[O-]P(=O)([O-])[O-],
,,,TYE:A:401,valid,,,,,c1cc(ccc1C[C@@H](CO)N)O,
,,5THH,,,,,,,
,,,TYR:A:401,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,1Y42,,,,,,,
,,,TYR:X:701,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,4OJM,,,,,,,
,,,TYR:X:701,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,Family. Representative Entry is ,3VGJ,,,,,,,
,,,TYR AMP:A:401,valid,,,,,P(=O)(OC(O)C([NH3+])Cc1ccc(O)cc1)(OCC1C(O)C(O)C([NH+]2C3[NH2+]C[NH2+]C([NH3+])C3[NH2+]C2)O1)[O-],
,,,TYR AMP:B:401,valid,,,,,P(=O)(OC(O)C([NH3+])Cc1ccc(O)cc1)(OCC1C(O)C(O)C([NH+]2C3[NH2+]C[NH2+]C([NH3+])C3[NH2+]C2)O1)[O-],
,Family. Representative Entry is ,1H3F,,,,,,,
,,,SO4:A:501,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:502,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:503,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:504,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:A:505,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,TYE:A:1433,valid,,,,,c1cc(ccc1C[C@@H](CO)N)O,
,,,TYE:B:1433,valid,,,,,c1cc(ccc1C[C@@H](CO)N)O,
,Family. Representative Entry is ,2J5B,,,,,,,
,,,TYE:A:1336,valid,,,,,c1cc(ccc1C[C@@H](CO)N)O,
,,,TYE:B:1338,valid,,,,,c1cc(ccc1C[C@@H](CO)N)O,
,Family. Representative Entry is ,6HB5,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,YSC:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O,
,,,YSC:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O)N)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,6HB7,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:A:504,invalid,,,,,C(CO)O,
,,,Y3U:A:501,valid,,,,,CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O,
,,,Y3U:B:501,valid,,,,,CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H](Cc3ccc(cc3)O)N)O)O,
,,,CL:A:505,invalid,,,,,[Cl-],
,,6HB6,,,,,,,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:A:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,,,YSU:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O,
,,,YSU:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)N)O,
,,,CL:A:504,invalid,,,,,[Cl-],
,,7AP3,,,,,,,
,,,NA:B:502,Part of Protein,,,,,[Na+],
,,,NA:A:502,Part of Protein,,,,,[Na+],
,,,RRB:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O,
,,,RRB:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3c(cc(c4)CO)N)O)O)N)O,
,,6I5Y,,,,,,,
,,,YSA:A:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O,
,,,YSA:B:501,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O,
,,,EDO:A:502,invalid,,,,,C(CO)O,
,,,EDO:B:503,invalid,,,,,C(CO)O,
,,,EDO:B:502,invalid,,,,,C(CO)O,
,Family. Representative Entry is ,1JIL,,,,,,,
,,,485:A:421,valid,ic50,=,4,nM,C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(cc2)O)N)O)O)O,
,Family. Representative Entry is ,2PID,,,,,,,
,,,YSA:A:384,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O,
,,,YSA:B:384,valid,,,,,c1cc(ccc1C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)O,
,Family. Representative Entry is ,4TS1,,,,,,,
,,,TYR:A:320,valid,Kd,=,11.6,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,,TYR:B:320,valid,Kd,=,11.6,uM,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,1TYB,,,,,,,
,,,TYR:E:320,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
,,1TYD,,,,,,,
,,,TYR:E:320,valid,,,,,c1cc(ccc1C[C@@H](C(=O)O)N)O,
2.8.1.8,,,,,,,,,
,Family. Representative Entry is ,4U0O,,,,,,,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,MTA:B:304,valid,,,,,CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,DTT:B:303,invalid,,,,,C([C@@H]([C@H](CS)O)O)S,
,,4U0P,,,,,,,
,,,SF4:B:302,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:B:301,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,NA:B:304,Part of Protein,,,,,[Na+],
,,,SAH:B:303,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N,
,Family. Representative Entry is ,5EXK,,,,,,,
,,,SF4:G:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:K:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:I:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:C:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:A:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,SF4:E:402,Part of Protein,,,,,[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45,
,,,GLU SER THR XOK SER VAL SER ASP:B:599,invalid,,,,,,
,,,GLU SER THR XOK SER VAL SER ASP:F:600,invalid,,,,,,
,,,GLU SER THR XOK SER VAL SER ASP:H:600,invalid,,,,,,
,,,GLU SER THR XOK SER VAL SER ASP:L:600,invalid,,,,,,
,,,GLU SER THR XOK SER VAL SER ASP:D:599,invalid,,,,,,
,,,GLU SER THR XOK SER VAL SER ASP:J:601,invalid,,,,,,
,,,5AD:G:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:C:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:K:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:E:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:I:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,5AD:A:403,valid,,,,,C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O,
,,,IMD:A:405,invalid,,,,,c1c[nH+]c[nH]1,
,,,IMD:E:405,invalid,,,,,c1c[nH+]c[nH]1,
,,,MET:C:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:G:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:K:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:E:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:A:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,MET:I:404,valid,,,,,CSCC[C@@H](C(=O)O)N,
,,,F3S:A:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:K:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:C:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:E:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:G:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,F3S:I:401,Part of Protein,,,,,S1[Fe]2S[Fe]3[S]2[Fe]1S3,
,,,CL:K:405,invalid,,,,,[Cl-],
,,,CL:A:406,invalid,,,,,[Cl-],
,,,IPA:C:405,invalid,,,,,CC(C)O,
1.1.1.118,,,,,,,,,
,Family. Representative Entry is ,2DTX,,,,,,,
,,,BMA:A:301,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,BMA:B:302,valid,,,,,C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O,
,,,SO4:A:351,invalid,,,,,[O-]S(=O)(=O)[O-],
,,,SO4:B:352,invalid,,,,,[O-]S(=O)(=O)[O-],
,,2DTE,,,,,,,
,,,NAI:A:271,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
,,,NAI:B:272,valid,,,,,c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N,
1.14.16.4,,,,,,,,,
,Family. Representative Entry is ,5J6D,,,,,,,
,,,6H5:B:504,valid,ic50,=,6,nM,[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N,
,,,6H5:A:504,valid,ic50,=,6,nM,[H]/N=C(/NCc1c(cccc1Oc2cccc(c2)OC)N3CCCCC3)NC(=O)c4ccc(cc4)C[C@@H](C(=O)O)N,
,,,GOL:A:503,invalid,,,,,C(C(CO)O)O,
,,,GOL:B:503,invalid,,,,,C(C(CO)O)O,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,TRS:B:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,FE:B:501,Part of Protein,,,,,[Fe+3],
,,3HF6,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,LX0:A:401,valid,ic50,=,0.026,uM,C[C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N,
,,5TPG,,,,,,,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],
,,,CCN:A:504,invalid,,,,,CC#N,
,,,CCN:A:503,invalid,,,,,CC#N,
,,,TRS:A:502,invalid,,,,,C(C(CO)(CO)[NH3+])O,
,,,7H5:A:505,valid,ic50,=,14,nM,CS(=O)(=O)c1cccc(c1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl,
,,3HF8,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,ML0:A:401,valid,Ki,=,0.31,uM,c1cc(cc(c1)F)c2ccc(cc2)[C@H](C(F)(F)F)Oc3cc(nc(n3)N)c4ccc(cc4)C[C@@H](C(=O)O)N,
,,3HFB,,,,,,,
,,,FE:A:400,Part of Protein,,,,,[Fe+3],
,,,ML4:A:401,valid,Ki,=,0.03,uM,Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(cc4)C[C@@H](C(=O)O)N,
,,1MLW,,,,,,,
,,,FE:A:403,Part of Protein,,,,,[Fe+3],
,,,HBI:A:900,valid,,,,,C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O,
,Family. Representative Entry is ,5L01,,,,,,,
,,,6Z4:A:502,valid,ic50,=,33,nM,c1ccc(cc1)c2cc(ccc2[C@H](C(F)(F)F)Oc3cc(nc(n3)N)N4CCC5(CC4)C[C@H](NC5)C(=O)O)Cl,
,,,FE:A:501,Part of Protein,,,,,[Fe+3],